0 B22R3.11094439 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc31 Amb6331756 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.11094439 Cc1ccc2c(c1)C(c3ccccc3)=NCC(=O)N2C Amb1285986 [0,0,0,0,0,0|1,0,0]=1 2 B21R3.155200 CN1CCN=C(c2ccccc2)c3cc(Cl)ccc31 Amb22055659 [1,0,0,0,0,0|0,0,1]=2 3 B21R3.157575 Cc1ccc2c(c1)C(c3ccccc3)=NCC(N)=N2 Amb31030928 [1,0,0,0,0,0|2,0,1]=4 4 B21R3.157575 Cc1ccc2c(c1)C(c3ccccc3)NCC(=O)N2 Amb9765138 [1,0,0,0,0,0|1,0,2]=4 5 B21R3.157575 NC1=Nc2ccc(Cl)cc2C(c3ccccc3)=NC1 Amb31030929 [1,0,0,0,0,0|1,0,1]=3 6 B21R3.157575 Nc1ccc2c(c1)C(c3ccccc3)NCC(=O)N2 Amb6316055 [1,0,0,0,0,0|1,0,2]=4 7 B21R3.157575 O=C1CN=C(c2ccccc2)c3cc(Br)ccc3N1 Amb1286193 [1,0,0,0,0,0|0,1,0]=2 8 B21R3.157575 O=C1CNC(c2ccccc2)c3cc(Br)ccc3N1 Amb1220083 [1,0,0,0,0,0|0,1,2]=4 9 B21R3.157575 O=C1CNC(c2ccccc2)c3cc(F)ccc3N1 Amb30876846 [1,0,0,0,0,0|0,1,2]=4 10 B21R3.157575 OC1=Nc2ccc(Br)cc2C(c3ccccc3)=NC1 Amb5632239 [1,0,0,0,0,0|0,1,2]=4 11 B21R3.157575 OC1=Nc2ccc(Cl)cc2C(c3ccccc3)=NC1 Amb4244134 [1,0,0,0,0,0|0,0,2]=3 12 B21R3.157575 S=C1CN=C(c2ccccc2)c3cc(Cl)ccc3N1 Amb2617028 [1,0,0,0,0,0|0,1,0]=2 13 B23R3.17129146 CN1C(=O)CN=C(c2ccccc2Cl)c3cc(Cl)ccc31 Amb22899174 [0,1,0,0,0,0|0,0,0]=1 14 B23R3.90482013 CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc31 Amb6297919 [0,1,0,0,0,0|2,0,0]=3 15 B23R3.90482013 CN1C(=O)C[N+]([O-])=C(c2ccccc2)c3cc(Cl)ccc31 Amb33756856 [0,1,0,0,0,0|0,0,1]=2 16 B21R3.7139910 CN1C(=O)N=C(c2ccccc2)c3cc(Cl)ccc31 Amb19521359 [0,0,0,0,1,0|0,0,0]=1 17 B21R3.7139910 Cn1c(=O)nc(-c2ccccc2)c3cc(Br)ccc31 Amb2795442 [0,0,0,0,1,0|0,1,0]=2 18 B20R2.18148 COC(=O)CN=C(c1ccccc1)c2ccccc2 Amb2236086 [1,0,1,0,0,0|1,0,0]=3 19 B20R2.156004 CC(=O)Nc1ccc(Br)cc1C(=O)c2ccccc2 Amb1203172 [1,0,1,0,0,0|1,1,0]=4 20 B20R2.156004 CC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 Amb2388756 [1,0,1,0,0,0|1,0,0]=3 21 B20R2.156004 CC(=O)Nc1ccc(Cl)cc1C(O)c2ccccc2 Amb21969726 [1,0,1,0,0,0|1,0,1]=4 22 B20R2.1577 CN(C(=O)CN)c1ccccc1Oc2ccccc2 Amb17060311 [1,0,1,0,0,0|1,0,1]=4 23 B20R3.5687 O=C1CCC(c2ccccc2)c3ccccc3N1 Amb10604273 [2,0,0,0,0,0|1,0,1]=4 24 B20R3.5687 O=C1CN=C(c2ccccc2)c3ccccc3N1 Amb9134821 [2,0,0,0,0,0|0,0,0]=2 25 B20R3.5687 O=C1CNC(c2ccccc2)c3ccccc3N1 Amb19516614 [2,0,0,0,0,0|0,0,2]=4 26 B20R3.5687 O=C1CNC(c2ccccc2)c3ccccc3N1 Amb9175063 [2,0,0,0,0,0|0,0,2]=4 27 B22R2.742330 CCN(C(=O)C\C=C\c1ccccc1)c2ccc(N)cc2 Amb24110312 [0,1,1,0,0,0|2,0,0]=4 28 B22R2.734691 CN(C(=O)CCl)c1ccc(Cl)cc1C(=O)c2ccccc2 Amb16229492 [0,1,1,0,0,0|1,0,0]=3 29 B22R3.5616688 Cc1ccccc1C2SCC(=O)Nc3ccc(Cl)cc32 Amb24083601 [1,1,0,0,0,0|1,0,1]=4 30 B22R3.5616688 O=C1CN=C(c2ccccc2Cl)c3cc(Br)ccc3N1 Amb6355189 [1,1,0,0,0,0|0,1,0]=3 31 B22R3.5616688 O=C1CN=C(c2ccccc2Cl)c3cc(Cl)ccc3N1 Amb6400448 [1,1,0,0,0,0|0,0,0]=2 32 B22R3.5616688 O=C1CN=C(c2ccccc2F)c3cc(Cl)ccc3N1 Amb2695319 [1,1,0,0,0,0|0,0,0]=2 33 B22R3.5616688 O=C1CNC(c2ccccc2F)c3cc(Cl)ccc3N1 Amb33210084 [1,1,0,0,0,0|0,0,2]=4 34 B22R3.10622968 CC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O Amb21927688 [1,1,0,0,0,0|0,0,0]=2 35 B22R3.10667510 O=C1CN(O)C(c2ccccc2)=C3C=C(Cl)C=CC3=N1 Amb33512765 [1,1,0,0,0,0|0,0,2]=4 36 B22R3.41037317 Cc1ccc2c(c1)C(c3ccc(F)cc3)=NCC(=O)N2 Amb1292247 [1,1,0,0,0,0|1,0,0]=3 37 B22R3.41037317 O=C1CN=C(c2ccc(F)cc2)c3cc(Br)ccc3N1 Amb1291603 [1,1,0,0,0,0|0,1,0]=3 38 B22R3.41037317 O=C1CN=C(c2ccc(F)cc2)c3cc(Cl)ccc3N1 Amb3466066 [1,1,0,0,0,0|0,0,0]=2 39 B22R3.41037317 O=C1CN=C(c2ccc(F)cc2)c3cc(F)ccc3N1 Amb1292248 [1,1,0,0,0,0|0,1,0]=3 40 B22R3.7265977 CN1C(=O)C(N)N=C(c2ccccc2)c3ccccc31 Amb8394952 [1,1,0,0,0,0|0,0,0]=2 41 B24R4.2512266 Clc1ccc-2c(c1)C(c3ccccc3)=NCc4nncn42 Amb5722425 [0,1,0,1,0,0|1,0,1]=4 42 B20R3.96101 Cc1cc2c(s1)NC(=O)CN=C2c3ccccc3 Amb4087797 [1,0,0,0,1,0|2,0,0]=4 43 B20R3.145206 Cc1ccc2c(c1)C(c3ccccc3)=NC(=O)N2 Amb19388676 [1,0,0,0,1,0|1,0,0]=3 44 B20R3.145206 Cc1nc(-c2ccccc2)c3cc(Cl)ccc3n1 Amb2795459 [1,0,0,0,1,0|1,0,1]=4 45 B20R3.145206 Clc1ccc2nc(Cl)nc(-c3ccccc3)c2c1 Amb2606183 [1,0,0,0,1,0|1,0,1]=4 46 B20R3.145206 O=C1C=C(c2ccccc2)c3cc(Cl)ccc3N1 Amb19372738 [1,0,0,0,1,0|0,0,1]=3 47 B20R3.145206 O=C1CC(c2ccccc2)c3cc(Br)ccc3N1 Amb17609981 [1,0,0,0,1,0|0,1,1]=4 48 B20R3.145206 O=C1N=C(c2ccccc2)c3cc(Br)ccc3N1 Amb19517610 [1,0,0,0,1,0|0,1,0]=3 49 B20R3.145206 O=C1N=C(c2ccccc2)c3cc(Cl)ccc3N1 Amb19518295 [1,0,0,0,1,0|0,0,0]=2 50 B20R3.145206 Oc1nc(-c2ccccc2)c3cc(Cl)ccc3n1 Amb2622799 [1,0,0,0,1,0|0,0,2]=4 51 B20R3.145206 S=C1N=C(c2ccccc2)c3cc(Cl)ccc3N1 Amb19805920 [1,0,0,0,1,0|0,1,0]=3 52 B20R3.145206 Sc1nc(-c2ccccc2)c3cc(Cl)ccc3n1 Amb6388597 [1,0,0,0,1,0|0,1,1]=4 53 B20R3.242177 CN1C(=O)C=C(c2ccccc2)c3ccccc31 Amb19769688 [1,0,0,0,1,0|0,0,1]=3 54 B22R3.249291 O=C1CCN(Cc2ccccc2)c3cc(Cl)ccc3N1 Amb35651229 [1,0,0,0,0,1|2,0,0]=4