0 B22R3.10622968 CC1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3 Amb21927688 [0,0,0,0,0,0|1,0,0]=1 1 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccc3)Br Amb1201996 [0,0,0,0,0,0|0,1,0]=1 2 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccn3)Br Amb17615166 [0,0,0,0,0,0|1,1,0]=2 3 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3 Amb1286193 [1,0,0,0,0,0|0,1,0]=2 4 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccn3 Amb17609903 [1,0,0,0,0,0|1,1,0]=3 5 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)C)c3ccccc3 Amb1301849 [1,0,0,0,0,0|1,0,0]=2 6 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560113 [1,0,0,0,0,0|0,0,0]=1 7 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3 Amb17608198 [1,0,0,0,0,0|1,0,0]=2 8 B21R3.157575 O=C1CN=C(c2cc(Cl)ccc2N1)c3ccccc3 Amb23523161 [1,0,0,0,0,0|0,0,0]=1 9 B21R3.157575 O=C1CN=C(c2cccc[n]2)c3cc(Cl)ccc3N1 Amb22395725 [1,0,0,0,0,0|1,0,0]=2 10 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)Br)c3ccccc3 Amb2583119 [1,0,0,0,0,0|0,1,2]=4 11 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)C)c3ccccc3 Amb1286058 [1,0,0,0,0,0|1,0,2]=4 12 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560118 [1,0,0,0,0,0|0,0,2]=3 13 B21R3.157575 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3 Amb19893376 [1,0,0,0,0,0|1,0,1]=3 14 B21R3.413840 NC1=NC(=C2C=CC=CC2=NC1=O)c3ccccc3 Amb22015180 [1,0,0,0,0,0|1,0,2]=4 15 B23R3.1787901 CCC1N=C(c2ccccc2)c3c(NC1=O)ccc(c3)Br Amb1299585 [0,1,0,0,0,0|1,1,0]=3 16 B23R3.16441448 Brc1ccc2c(c1)C(=NC(C(=O)N2)C)c3ccccc3Cl Amb2583124 [0,1,0,0,0,0|1,1,0]=3 17 B23R3.16441448 Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c3ccccc3Cl Amb17616572 [0,1,0,0,0,0|0,0,0]=1 18 B23R3.16441448 Clc1ccc2c(c1)C(=[15N][13CH]([13C](=O)N2)O)c3ccccc3Cl Amb17616570 [0,1,0,0,0,0|0,0,0]=1 19 B23R3.16441448 OC1N=C(c2ccccc2F)c3cc(Cl)ccc3NC1=O Amb24063221 [0,1,0,0,0,0|0,0,0]=1 20 B23R3.16441448 O[C@@H]1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3Cl Amb19132962 [0,1,0,0,0,0|0,0,0]=1 21 B23R3.90493228 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3 Amb13889605 [0,1,0,0,0,0|0,0,0]=1 22 B21R2.507331 CCC(=O)Nc1ccc(Cl)cc1C(O)c2ccccc2 Amb21969727 [0,0,1,0,0,0|2,0,1]=4 23 B21R2.507331 CCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1852079 [0,0,1,0,0,0|2,0,0]=3 24 B21R2.507331 OCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1111050 [0,0,1,0,0,0|1,0,0]=2 25 B21R3.420045 NC=1C(=O)Nc2ccc(Br)cc2C1c3ccccc3 Amb22276031 [0,0,0,0,1,0|1,1,1]=4 26 B21R3.420045 NC=1C(=O)Nc2ccc(Cl)cc2C1c3ccccc3 Amb22054283 [0,0,0,0,1,0|1,0,1]=3 27 B21R3.420045 O=C1Nc2ccc(Cl)cc2C(c3ccccc3)=C1Cl Amb24068344 [0,0,0,0,1,0|1,0,1]=3 28 B21R3.420045 OC=1C(=O)Nc2ccc(Br)cc2C1c3ccccc3 Amb22472295 [0,0,0,0,1,0|0,1,1]=3 29 B20R2.15829 O=C(Nc1ccc(cc1)Cl)CNCc2ccccc2 Amb2443293 [1,0,1,0,0,0|0,0,2]=4 30 B20R2.15829 O=C(Nc1ccc(cc1)Cl)N\C=C\c2ccccc2 Amb2425145 [1,0,1,0,0,0|2,0,0]=4 31 B20R2.251829 O=C(CCl)Nc1ccc(Cl)cc1Oc2ccccc2 Amb22346619 [1,0,1,0,0,0|2,0,0]=4 32 B20R2.4909 Nc1ccc(Cl)cc1C(=NCCO)c2ccccc2 Amb24080740 [1,0,1,0,0,0|0,0,2]=4 33 B20R2.27400 ClCC(=O)Nc1ccccc1C(=O)c2ccccc2 Amb1641122 [1,0,1,0,0,0|2,0,0]=4 34 B20R2.27400 OCC(=O)Nc1ccccc1C(=O)c2ccccc2 Amb1109792 [1,0,1,0,0,0|1,0,0]=3 35 B20R2.156004 CC(=O)Nc1ccc(Cl)cc1C(O)c2ccccc2 Amb21969726 [1,0,1,0,0,0|1,0,1]=4 36 B20R2.156004 CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Br Amb1203172 [1,0,1,0,0,0|1,1,0]=4 37 B20R2.156004 CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb2388756 [1,0,1,0,0,0|1,0,0]=3 38 B20R3.142678 Clc1cc2C(=NCCNc2cc1)c3ccccc3 Amb22473098 [2,0,0,0,0,0|0,0,1]=3 39 B20R3.5687 O=C1CCC(c2c(N1)cccc2)c3ccccc3 Amb10604273 [2,0,0,0,0,0|1,0,1]=4 40 B20R3.5687 O=C1CNC(c2ccccc2N1)c3ccccc3 Amb19516614 [2,0,0,0,0,0|0,0,2]=4 41 B20R3.5687 O=C1CSC(c2ccccc2N1)c3ccccc3 Amb22443695 [2,0,0,0,0,0|1,0,1]=4 42 B22R2.23700 O=C(C(OC(=O)c1ccccc1)C)Nc2ccc(cc2)Cl Amb1224304 [0,1,1,0,0,0|2,0,0]=4 43 B22R2.308557 CC(Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 Amb21967408 [0,1,1,0,0,0|2,0,0]=4 44 B22R2.398685 CCCC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1863254 [0,1,1,0,0,0|2,0,0]=4 45 B22R2.398685 CCOC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb1394948 [0,1,1,0,0,0|2,0,0]=4 46 B22R2.734691 ClCC(=O)N(c1ccc(cc1C(=O)c2ccccc2)Cl)C Amb16229492 [0,1,1,0,0,0|2,0,0]=4 47 B22R2.2374897 BrCC(=O)Nc1ccc(cc1C(=O)c2ccc(cc2)Br)Cl Amb2583148 [0,1,1,0,0,0|2,0,0]=4 48 B22R2.2374901 BrCC(=O)Nc1ccc(cc1C(=O)c2ccccc2Br)Cl Amb2583146 [0,1,1,0,0,0|2,0,0]=4 49 B22R2.2374901 BrCC(=O)Nc1ccc(cc1C(=O)c2ccccc2F)Cl Amb17614391 [0,1,1,0,0,0|2,0,0]=4 50 B22R2.2374901 BrC[13C](=O)Nc1ccc(cc1C(=O)c2ccccc2F)Cl Amb17614254 [0,1,1,0,0,0|2,0,0]=4 51 B22R2.2374901 O=C(c1cc(Cl)ccc1NC(=O)CCl)c2ccccc2F Amb21964014 [0,1,1,0,0,0|2,0,0]=4 52 B22R2.2374910 BrCC(=O)Nc1ccc(cc1C(=O)c2cccc(c2)Br)Cl Amb2583147 [0,1,1,0,0,0|2,0,0]=4 53 B22R2.2802135 O\N=C(/c1ccccc1)\c2cc(Cl)ccc2NC(=O)CCl Amb22233540 [0,1,1,0,0,0|1,0,0]=3 54 B22R3.118192 NNC1=Nc2ccc(cc2C(=NC1)c3ccccc3)Cl Amb17610919 [1,1,0,0,0,0|1,0,1]=4 55 B22R3.5616688 Cc1ccccc1C2SCC(=O)Nc3ccc(Cl)cc32 Amb24083601 [1,1,0,0,0,0|1,0,1]=4 56 B22R3.5616688 Clc1ccc2c(c1)c(ncc(=O)n2)c3ccccc3Cl Amb15691227 [1,1,0,0,0,0|0,0,2]=4 57 B22R3.5616688 Clc1ccc2c(c1)c(ncc(=O)n2)c3ccccc3F Amb15690867 [1,1,0,0,0,0|0,0,2]=4 58 B22R3.5616688 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3Cl Amb17607967 [1,1,0,0,0,0|1,0,0]=3 59 B22R3.5616688 O=C1CN=C(c2ccccc2F)c3cc(Br)ccc3N1 Amb22264454 [1,1,0,0,0,0|0,1,0]=3 60 B22R3.5616688 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3Cl Amb22369906 [1,1,0,0,0,0|1,0,1]=4 61 B22R3.5616688 O=[13C]1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3F Amb17614437 [1,1,0,0,0,0|0,0,0]=2 62 B22R3.5616688 S=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3Cl Amb2583122 [1,1,0,0,0,0|0,2,0]=4 63 B22R3.10667510 O=C1CC(=O)N(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb17612154 [1,1,0,0,0,0|2,0,0]=4 64 B22R3.10667510 O=C1C[N+](=C(c2c(N1)ccc(c2)Br)c3ccccc3)[O-] Amb2259768 [1,1,0,0,0,0|0,1,1]=4 65 B22R3.10667510 O=C1C[N+](=C(c2c(N1)ccc(c2)Cl)c3ccccc3)[O-] Amb1643912 [1,1,0,0,0,0|0,0,1]=3 66 B22R3.11094439 Cc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Amb1285986 [1,1,0,0,0,0|1,0,0]=3 67 B22R3.11094439 Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Amb17608194 [1,1,0,0,0,0|1,0,0]=3 68 B22R3.41037317 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccc(cc3)F Amb1291603 [1,1,0,0,0,0|0,1,0]=3 69 B22R3.41037317 O=C1CN=C(c2c(N1)ccc(c2)C)c3ccc(cc3)F Amb1292247 [1,1,0,0,0,0|1,0,0]=3 70 B22R3.41037317 O=C1CN=C(c2c(N1)ccc(c2)F)c3ccc(cc3)F Amb1292248 [1,1,0,0,0,0|0,1,0]=3 71 B22R3.41037317 O=C1CN=C(c2cc(Cl)ccc2N1)c3ccc(Cl)cc3 Amb22349905 [1,1,0,0,0,0|0,0,0]=2 72 B22R3.41727004 O=C1CN=C(c2c(N1)ccc(c2)Br)c3cccc(n3)C Amb17617236 [1,1,0,0,0,0|1,1,0]=4 73 B22R3.7265977 CN1C(=O)C(N)N=C(c2ccccc2)c3ccccc13 Amb19668060 [1,1,0,0,0,0|1,0,0]=3 74 B22R3.7265977 CN1C(=O)[C@@H](N)N=C(c2ccccc12)c3ccccc3 Amb22747544 [1,1,0,0,0,0|1,0,0]=3 75 B22R3.7265977 CN1c2ccccc2C(=N[C@@H]([NH3+])C1=O)c3ccccc3 Amb17871754 [1,1,0,0,0,0|1,0,0]=3 76 B22R3.640948 NC=1C(=O)Nc2ccc(Cl)cc2C1c3ccccc3F Amb24104494 [0,1,0,0,1,0|1,0,1]=4 77 B22R3.11064001 CC=1C(=O)N(C)c2ccc(Cl)cc2C1c3ccccc3 Amb22455473 [0,1,0,0,1,0|1,0,1]=4 78 B24R3.3081896 CCOC1N=C(c2ccccc2)c3c(NC1=O)ccc(c3)C Amb2575608 [0,2,0,0,0,0|1,0,0]=3 79 B24R3.24457214 [O-]C(=O)C1N=C(c2ccccc2)c3c(NC1=O)ccc(c3)Cl Amb17610773 [0,2,0,0,0,0|0,0,1]=3 80 B24R3.146984223 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3Cl Amb17616574 [0,2,0,0,0,0|0,0,0]=2 81 B22R3.10658368 OC(=O)C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3 Amb22263618 [0,0,1,1,0,0|2,0,0]=4 82 B22R4.12410134 Clc1ccc2c(c1)c3c4ccccc4sc3c(=O)[nH]2 Amb2111154 [0,0,0,1,1,0|0,1,1]=4 83 B22R4.12410134 O=C1Nc2ccc(Cl)cc2-c3c1[s]c4ccccc43 Amb19656492 [0,0,0,1,1,0|0,1,1]=4 84 B20R2.4447 Clc1ccc(cc1)NC(=O)\C(=C\c2ccccc2)\Br Amb2573562 [0,0,1,0,1,0|1,0,1]=4 85 B20R2.4447 O=C(C(Nc1ccccc1)C)Nc2ccc(cc2)Cl Amb17168576 [0,0,1,0,1,0|1,0,1]=4 86 B20R2.4447 O=C(C(Sc1ccccc1)C)Nc2ccc(cc2)Cl Amb1535100 [0,0,1,0,1,0|2,0,0]=4 87 B20R3.145206 Clc1ccc2c(c1)c(nc(=O)[nH]2)c3ccccc3 Amb1042744 [1,0,0,0,1,0|0,0,2]=4 88 B20R3.145206 O=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3 Amb19518295 [1,0,0,0,1,0|0,0,2]=4 89 B20R3.145206 S=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3 Amb19805920 [1,0,0,0,1,0|0,1,1]=4 90 B20R3.13260 O=C1NN=C(c2cc(Cl)ccc21)c3ccccc3 Amb22445628 [1,0,0,0,1,0|1,0,0]=3 91 B20R3.95897 O=C1CN=C(c2ccc[nH]2)c3cc(Cl)ccc3N1 Amb22733893 [1,0,0,0,1,0|1,0,0]=3 92 B20R3.242177 CN1N=C(c2ccccc2C1=O)c3ccccc3 Amb19831841 [1,0,0,0,1,0|2,0,0]=4 93 B20R3.242177 O=c1n(C)nc(c2c1cccc2)c3ccccc3 Amb1244206 [1,0,0,0,1,0|2,0,0]=4 94 B20R3.268985 O=C1Nc2ccccc2C(=C1Br)c3ccccc3 Amb23454814 [1,0,0,0,1,0|1,0,1]=4 95 B20R3.268985 OC=1C(=O)Nc2ccccc2C1c3ccccc3 Amb20246428 [1,0,0,0,1,0|0,0,1]=3 96 B20R3.268985 Oc1c(=O)[nH]c2c(c1c3ccccc3)cccc2 Amb10561474 [1,0,0,0,1,0|0,0,1]=3 97 B22R2.23733 Clc1ccc(cc1)NC(=O)C(=O)N\N=C\c2ccccc2 Amb16219567 [0,0,1,0,0,1|0,0,2]=4