0 B23R3.16441448 Brc1ccc2c(c1)C(=NC(C(=N2)O)C)c3ccccc3Cl Amb2448361 [0,0,0,0,0,0|1,1,2]=4 1 B23R3.16441448 Brc1ccc2c(c1)C(=NC(C(=O)N2)C)c3ccccc3Cl Amb2583124 [0,0,0,0,0,0|1,1,0]=2 2 B23R3.16441448 Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c3ccccc3Cl Amb17616572 [0,0,0,0,0,0|0,0,0]=0 3 B23R3.16441448 Clc1ccc2c(c1)C(=[15N][13CH]([13C](=O)N2)O)c3ccccc3Cl Amb17616570 [0,0,0,0,0,0|0,0,0]=0 4 B23R3.16441448 OC1N=C(c2ccccc2F)c3cc(Cl)ccc3NC1=O Amb24063221 [0,0,0,0,0,0|0,1,0]=1 5 B23R3.16441448 O[C@@H]1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3Cl Amb19132962 [0,0,0,0,0,0|0,0,0]=0 6 B22R3.5616688 Cc1ccccc1C2SCC(=O)Nc3ccc(Cl)cc32 Amb24083601 [1,0,0,0,0,0|2,0,1]=4 7 B22R3.5616688 Clc1ccc2c(c1)c(ncc(=O)n2)c3ccccc3Cl Amb15691227 [1,0,0,0,0,0|0,0,2]=3 8 B22R3.5616688 Clc1ccc2c(c1)c(ncc(=O)n2)c3ccccc3F Amb15690867 [1,0,0,0,0,0|0,1,2]=4 9 B22R3.5616688 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3Cl Amb17607967 [1,0,0,0,0,0|1,0,0]=2 10 B22R3.5616688 O=C1CN=C(c2ccccc2F)c3cc(Br)ccc3N1 Amb22264454 [1,0,0,0,0,0|0,2,0]=3 11 B22R3.5616688 O=C1CNC(c2c(N1)ccc(c2)Br)c3ccccc3Cl Amb2583118 [1,0,0,0,0,0|0,1,2]=4 12 B22R3.5616688 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3Cl Amb22369906 [1,0,0,0,0,0|1,0,1]=3 13 B22R3.5616688 O=[13C]1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3F Amb17614437 [1,0,0,0,0,0|0,1,0]=2 14 B22R3.5616688 S=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3Cl Amb2583122 [1,0,0,0,0,0|0,2,0]=3 15 B22R3.10622968 CC1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3 Amb21927688 [1,0,0,0,0,0|1,0,0]=2 16 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccc3)Br Amb1201996 [1,0,0,0,0,0|0,1,0]=2 17 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccn3)Br Amb17615166 [1,0,0,0,0,0|1,1,0]=3 18 B24R3.146984223 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3Cl Amb17616574 [0,1,0,0,0,0|0,0,0]=1 19 B22R2.529842 CN(N=Cc1ccccc1Cl)C(=S)Nc2ccc(Cl)cc2 Amb22454329 [0,0,1,0,0,0|2,1,0]=4 20 B22R2.2374901 BrCC(=O)Nc1ccc(cc1C(=O)c2ccccc2Br)Cl Amb2583146 [0,0,1,0,0,0|2,1,0]=4 21 B22R2.2374901 BrCC(=O)Nc1ccc(cc1C(=O)c2ccccc2F)Cl Amb17614391 [0,0,1,0,0,0|2,1,0]=4 22 B22R2.2374901 BrC[13C](=O)Nc1ccc(cc1C(=O)c2ccccc2F)Cl Amb17614254 [0,0,1,0,0,0|2,1,0]=4 23 B22R2.2374901 O=C(c1cc(Cl)ccc1NC(=O)CCl)c2ccccc2F Amb21964014 [0,0,1,0,0,0|2,1,0]=4 24 B22R3.640948 NC=1C(=O)Nc2ccc(Cl)cc2C1c3ccccc3F Amb24104494 [0,0,0,0,1,0|1,1,1]=4 25 B21R2.365388 Oc1ccccc1C=NNC(=O)Nc2ccc(Cl)cc2 Amb22466623 [1,0,1,0,0,0|2,0,0]=4 26 B21R2.507331 CCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1852079 [1,0,1,0,0,0|2,0,0]=4 27 B21R2.507331 OCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1111050 [1,0,1,0,0,0|1,0,0]=3 28 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3 Amb1286193 [2,0,0,0,0,0|0,1,0]=3 29 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccn3 Amb17609903 [2,0,0,0,0,0|1,1,0]=4 30 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)C)c3ccccc3 Amb1301849 [2,0,0,0,0,0|1,0,0]=3 31 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560113 [2,0,0,0,0,0|0,0,0]=2 32 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3 Amb17608198 [2,0,0,0,0,0|1,0,0]=3 33 B21R3.157575 O=C1CN=C(c2cc(Cl)ccc2N1)c3ccccc3 Amb23523161 [2,0,0,0,0,0|0,0,0]=2 34 B21R3.157575 O=C1CN=C(c2cccc[n]2)c3cc(Cl)ccc3N1 Amb22395725 [2,0,0,0,0,0|1,0,0]=3 35 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560118 [2,0,0,0,0,0|0,0,2]=4 36 B21R3.157575 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3 Amb19893376 [2,0,0,0,0,0|1,0,1]=4 37 B23R2.730472 O=C(C(NC(=O)c1ccccc1Cl)C)Nc2ccc(cc2)Cl Amb10183610 [0,1,1,0,0,0|1,0,1]=4 38 B23R3.5055796 N\N=C\1/CN=C(c2cc(Cl)ccc2N1)c3ccccc3Cl Amb22054678 [1,1,0,0,0,0|1,0,0]=3 39 B23R3.16509473 Clc1ccc2c(c1)C(=[N+]([O-])CC(=O)N2)c3ccccc3Cl Amb2583125 [1,1,0,0,0,0|0,0,1]=3 40 B23R3.17129146 CN1C(=O)CN=C(c2cc(Cl)ccc12)c3ccccc3Cl Amb22899174 [1,1,0,0,0,0|0,0,0]=2 41 B23R3.17129146 CN1C(=O)CN=C(c2cc(F)ccc12)c3ccccc3F Amb24099129 [1,1,0,0,0,0|0,2,0]=4 42 B23R3.17129146 CN1C(=O)CN=C(c2ccccc2F)c3cc(Br)ccc13 Amb22264453 [1,1,0,0,0,0|0,2,0]=4 43 B23R3.17129146 Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F Amb13889653 [1,1,0,0,0,0|0,1,0]=3 44 B23R3.17129146 Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F Amb17608072 [1,1,0,0,0,0|1,1,0]=4 45 B23R3.1787901 CCC1N=C(c2ccccc2)c3c(NC1=O)ccc(c3)Br Amb1299585 [1,1,0,0,0,0|1,1,0]=4 46 B23R3.90493228 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3 Amb13889605 [1,1,0,0,0,0|0,0,0]=2 47 B25R3.531132214 CC1N=C(c2ccccc2Cl)c3cc(ccc3NC1=O)[N+]([O-])=O Amb22734022 [0,2,0,0,0,0|2,0,0]=4 48 B25R3.531132214 [O-][N+](=O)c1cc2C(=NC(O)C(=O)Nc2cc1)c3ccccc3Cl Amb22055408 [0,2,0,0,0,0|1,0,0]=3 49 B23R3.186300331 NCC(=O)n1nc(c2c1ccc(c2)Br)c3ccccc3Cl Amb2569606 [0,0,1,1,0,0|1,1,0]=4 50 B21R2.97316 O=C(C(Oc1ccccc1Cl)C)Nc2ccc(cc2)Cl Amb11211718 [0,0,1,0,1,0|2,0,0]=4 51 B21R3.6885537 Fc1ccc2c(c1)c(nc(=O)[nH]2)c3ccccc3Cl Amb1867340 [1,0,0,0,1,0|0,1,0]=3 52 B21R3.6885537 O=C1Nc2ccc(Br)cc2C(=N1)c3ccccc3Cl Amb19767100 [1,0,0,0,1,0|0,1,0]=3 53 B21R3.6885537 O=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3Br Amb20654402 [1,0,0,0,1,0|0,1,0]=3 54 B21R3.6885537 O=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3Cl Amb21933318 [1,0,0,0,1,0|0,0,0]=2 55 B21R3.6885537 O=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3F Amb19770108 [1,0,0,0,1,0|0,1,0]=3 56 B21R3.6885537 O=C1Nc2ccc(F)cc2C(=N1)c3ccccc3Cl Amb19539178 [1,0,0,0,1,0|0,1,0]=3 57 B21R3.3962810 OC=1C(=O)Nc2ccccc2C1c3ccccc3Br Amb22462900 [1,0,0,0,1,0|0,1,1]=4 58 B21R3.420045 NC=1C(=O)Nc2ccc(Cl)cc2C1c3ccccc3 Amb22054283 [1,0,0,0,1,0|1,0,1]=4 59 B21R3.420045 O=C1Nc2ccc(Cl)cc2C(c3ccccc3)=C1Cl Amb24068344 [1,0,0,0,1,0|1,0,1]=4 60 B21R3.420045 OC=1C(=O)Nc2ccc(Br)cc2C1c3ccccc3 Amb22472295 [1,0,0,0,1,0|0,1,1]=4 61 B23R2.730808 Clc1ccc(cc1)NC(=O)C(=O)N\N=C\c2ccccc2Cl Amb16219643 [0,0,1,0,0,1|0,0,2]=4