0 B13R2.57 COC1=CC2=C(C=C1)CNCC2 BB54-4395 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.57 COC1=CC2=C(C=C1)NCCC2 BB54-0718 [0,0,0,0,0,0|0,0,4]=4 2 B13R2.57 ClCC1=CC2=CC=CC=C2N=C1 BB58-0503 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 BB54-1225 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.57 N#CC1=CC=C2C=CC=NC2=C1 BB58-0056 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.57 NCC1=CC2=C(C=C1)N=CC=C2 BB05-3967 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 BB32-1896 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 BB55-6172 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 BB54-4524 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.57 NNC1=CC2=CC=CN=C2C=C1 BB57-2458 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 BB05-3503 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=N2 BB01-7334 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 BB54-4676 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 BB57-1133 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 BB55-6176 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 BB54-0061 [1,0,0,0,0,0|1,0,0]=2 16 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 NC1=CC=C2C=CC=NC2=C1 BB58-0390 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 NC1=CC=C2N=CC=CC2=C1 BB12-2220 [1,0,0,0,0,0|1,0,0]=2 19 B12R2.24 NC1=CC=C2N=CC=NC2=C1 BB12-2798 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 BB57-3400 [1,0,0,0,0,0|2,0,0]=3 21 B14R2.112 CNCC1=CC2=CC=CC=C2N=C1 BB55-6171 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 BB55-6175 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.112 O=C=NC1=CC2=CC=CC=C2C=C1 BB01-6568 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.134 COC1=CC2=C(C=C1)N=CC(N)=C2 BB54-4983 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 BB57-5725 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 BB53-1773 [0,1,0,0,0,0|0,0,0]=1 27 B14R2.781 CC(N)C1=CC2=C(C=CC=C2)C=C1 BB55-1648 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 BB12-5018 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=NC2=C1 BB12-2797 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 BB55-6174 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.1019 COC1=CC2=C(N=CC=C2)C(N)=C1 BB54-2920 [0,1,0,0,0,0|0,0,0]=1 32 B12R1.382 COC1=CC(CNC=O)=CC=C1 BB20-4808 [0,0,1,0,0,0|2,0,1]=4 33 B12R2.1 O=CC1=CNC2=NC=CC=C12 BB57-0373 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.32 OCC1=CC2=CC=CN=C2N1 BB58-3263 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.44 CCC1=CC2=C(C=C1)N=NN2 BB56-0497 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.44 COC1=CC=C2NC=NC2=C1 BB57-3664 [0,0,0,0,1,0|1,0,1]=3 37 B12R2.44 N#CC1=CN2C=CN=C2C=C1 BB58-0333 [0,0,0,0,1,0|3,0,0]=4 38 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 BB53-1611 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 BB55-6203 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.44 NCC1=CC=C2C=CNC2=C1 BB53-1666 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.44 O=CC1=CC2=CC=NN2C=C1 BB31-7684 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 BB57-7143 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.1 C=CCOC1=CC=C(O)C=C1 BB20-1078 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.83 COC1=CC=C(\C=N/O)C=C1 BB01-7427 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB01-6273 [1,0,1,0,0,0|2,0,0]=4 46 B13R2.32 CC1=C(Br)C2=CC=NC=C2C=C1 BB31-0572 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.32 CC1=C(N)C2=CC=CN=C2C=C1 BB12-5008 [1,1,0,0,0,0|0,0,0]=2 48 B13R2.32 CC1=C(O)C2=C(C=CC=N2)C=C1 BB57-3397 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.32 CC1=CC=C2N=CC=CC2=C1Br BB57-7200 [1,1,0,0,0,0|0,0,0]=2 50 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BB54-1922 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.32 NC1=CC=C2N=CC=CC2=C1Br BB57-3429 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BB12-5003 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.155 ClC1=NC2=C(C=CC(Br)=C2)N=C1 BB54-2811 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 BB54-2810 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.155 NC1=CC2=C(C=C1)N=CC(Br)=C2 BB54-0856 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 BB57-4832 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 BB54-2824 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 BB31-5174 [1,1,0,0,0,0|0,0,0]=2 59 B13R2.162 BrC1=NC2=C(Br)C=CN=C2C=C1 BB31-1976 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 BB56-0660 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.162 ClC1=C2C=C(Br)C=CC2=NN=C1 BB31-7024 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 BB54-4180 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.162 NC1=CC=C2N=CNC(=O)C2=C1 BB57-4735 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 NC1=CC=NC2=CC=C(Cl)C=C12 BB54-4181 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 BB54-4185 [1,1,0,0,0,0|1,0,0]=3 66 B13R2.162 NC1=NC=NC2=C1C=C(Cl)C=C2 BB57-3684 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.162 NC1=NC=NC2=C1C=C(F)C=C2 BB57-3683 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.162 NC1=NC=NC2=C1C=C(I)C=C2 BB57-3682 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.162 NC1=NC=NC2=CC=C(Br)C=C21 BB55-6338 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.162 O=C1NC=NC2=CC=C(Cl)C=C12 BB10-0619 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.162 O=C1NC=NC2=CC=C(I)C=C12 BB57-5440 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.162 OC1=CC=NC2=CC=C(Cl)C=C12 BB54-4179 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.162 OC1=CC=NC2=CC=C(F)C=C12 BB54-4182 [1,1,0,0,0,0|1,0,0]=3 74 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 BB01-2818 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.328 NC1=CC(Br)=CC2=CC=CN=C12 BB54-0021 [1,1,0,0,0,0|1,0,0]=3 76 B13R2.328 NC1=CC(Cl)=CC2=C1N=CC=C2 BB54-3680 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.328 OC1=CC2=C(N=CC=C2)C(O)=C1 BB58-1203 [1,1,0,0,0,0|0,0,0]=2 78 B13R2.369 NC1=CC2=CC=CC=C2C=C1O BB55-7577 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 BB12-4988 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 BB57-6530 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 BB17-0572 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.1 NCCC1=CNC2=NC=CC=C12 BB20-6858 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 BB57-4090 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.449 NCCC1=CC2=C(C=C1)NC=C2 BB58-2999 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 BB31-4795 [0,1,0,0,1,0|2,0,0]=4 86 B13R2.654 COC1=CC(Br)=C2N=NNC2=C1 BB17-2761 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.654 COC1=CC(Cl)=C2N=NNC2=C1 BB17-2760 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.654 COC1=CC2=CC=NN2C(N)=N1 BB17-2981 [0,1,0,0,1,0|2,0,0]=4 89 B13R2.2121 CCC1=CC2=C(C=C1)N=C(N)S2 BB56-0460 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.2121 CCC1=CC=C2N=C(N)NC2=C1 BB56-0498 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 BB57-3663 [0,1,0,0,1,0|1,0,1]=4 92 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 BB12-1347 [0,1,0,0,1,0|1,0,1]=4 93 B13R2.2121 COC1=CC=C2SC(S)=NC2=C1 BB55-7897 [0,1,0,0,1,0|2,0,0]=4 94 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 BB12-2913 [0,1,0,0,1,0|1,0,1]=4 95 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 BB54-2455 [0,2,0,0,0,0|1,0,0]=3 96 B15R2.352 OCCOC1=CC2=C(C=CC=C2)C=C1 BB55-4259 [0,2,0,0,0,0|1,0,0]=3 97 B15R2.1601 NC(CO)C1=CC2=CC=CC=C2C=C1 BB56-2093 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.1601 NCC(=O)C1=CC=C2C=CC=CC2=C1 BB26-0168 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.1668 CC(=O)NC1=CC2=CC=CN=C2C=C1 BB17-0879 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.4776 COC1=CC=C2OCC(C#N)=CC2=C1 BB53-4150 [0,2,0,0,0,0|1,0,1]=4 101 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 BB57-5786 [0,2,0,0,0,0|1,0,1]=4 102 B15R2.89396 COC1=CC=C2C(O)=CC(=O)OC2=C1 BB12-2257 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.2393 COC1=C(Cl)C=C2N=CC=C(N)C2=C1 BB54-5569 [0,2,0,0,0,0|0,0,0]=2 104 B15R2.14951 O=[N+]([O-])C1=CC2=CC=CN=C2C(O)=C1 BB54-0004 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 BB57-4666 [0,2,0,0,0,0|1,0,0]=3 106 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [1,0,0,0,1,0|2,0,0]=4 107 B11R2.36 CC1=CC2=C(C=CN2)C=C1 BB01-7867 [1,0,0,0,1,0|1,0,0]=3 108 B11R2.36 CC1=CC=C2C=NNC2=C1 BB57-4110 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.36 CC1=CC=C2N=CNC2=C1 BB12-4747 [1,0,0,0,1,0|1,0,0]=3 110 B11R2.36 FC1=CN2C=CN=C2C=C1 BB57-4093 [1,0,0,0,1,0|2,0,0]=4 111 B11R2.36 NC1=CC2=C(C=CN2)C=C1 BB54-3214 [1,0,0,0,1,0|2,0,0]=4 112 B11R2.36 OC1=CC2=C(C=C1)N=CO2 BB54-5551 [1,0,0,0,1,0|1,0,0]=3 113 B11R2.36 OC1=CC=C2NC=NC2=C1 BB57-3662 [1,0,0,0,1,0|1,0,1]=4