0 B11R1.87 CC1=C(S(=O)(=O)Cl)C=NC=C1 ACI-04605 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.87 NS(=O)(=O)C1=CC=CC=C1Br ACI-04503 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.87 NS(=O)(=O)C1=CC=CC=C1F ACI-04508 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.87 NS(=O)(=O)C1=CC=CC=C1I ACI-04502 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.87 NS(=O)(=O)C1=CC=CN=C1Cl ACI-00429 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.87 NS(=O)(=O)C1=CC=CN=C1F ACI-04529 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Br ACI-NI-00185 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1F ACI-NI-00276 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1I ACI-NI-00057 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl ACI-00427 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1F ACI-00440 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [1,0,0,0,0,0|2,1,0]=4 23 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.76 N#CC1=CC=CC=C1S(=O)(=O)Cl ACI-NI-00271 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.76 N#CC1=CC=CC=C1S(N)(=O)=O ACI-04505 [0,1,0,0,0,0|0,0,1]=2 29 B12R1.126 CC1=C(S(=O)(=O)Cl)C=CC(Cl)=N1 ACI-NI-00763 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.126 CC1=C(S(N)(=O)=O)C=CC(Cl)=N1 ACI-04574 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.126 CC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 ACI-02405 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.126 CC1=CC(Br)=C(S(N)(=O)=O)C=C1 ACI-04561 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.126 CC1=CC=C(S(=O)(=O)Cl)C(Cl)=N1 ACI-01161 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.126 CC1=CC=C(S(N)(=O)=O)C(Cl)=N1 ACI-01125 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.126 NS(=O)(=O)C1=CC=C(Br)C=C1F ACI-04580 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.126 NS(=O)(=O)C1=CC=C(Cl)N=C1Cl ACI-01126 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.126 NS(=O)(=O)C1=CC=C(F)C=C1Br ACI-04582 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.126 O=S(=O)(Cl)C1=CC=C(Br)C=C1F ACI-02560 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.126 O=S(=O)(Cl)C1=CC=C(Cl)N=C1Cl ACI-01160 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.126 O=S(=O)(Cl)C1=CC=C(F)C=C1Br ACI-02563 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.126 O=S(=O)(O)C1=CN=C(O)C=C1O ACI-00421 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.128 CC1=CN=C(Cl)C(S(=O)(=O)Cl)=C1 ACI-01159 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.128 CC1=CN=C(Cl)C(S(N)(=O)=O)=C1 ACI-01127 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.128 NC1=NC=C(Cl)C=C1S(=O)(=O)Cl ACI-00412 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.128 NC1=NC=C(Cl)C=C1S(N)(=O)=O ACI-00414 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.128 NS(=O)(=O)C1=CC(Br)=CC=C1F ACI-04577 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.128 NS(=O)(=O)C1=CC(Cl)=CN=C1Cl ACI-01129 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.128 NS(=O)(=O)C1=CC(F)=CC=C1Br ACI-04579 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.128 O=S(=O)(Cl)C1=CC(Br)=CC=C1F ACI-02553 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.128 O=S(=O)(Cl)C1=CC(Cl)=CN=C1Cl ACI-01156 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.128 O=S(=O)(Cl)C1=CC(F)=CC=C1Br ACI-02558 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.195 CC1=CC=CC=C1S(=O)(=O)NN FD-10E-011 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.195 CNS(=O)(=O)C1=CC=CC=C1Br ACI-06024 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.195 CNS(=O)(=O)C1=CC=CC=C1F ACI-06030 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.195 CNS(=O)(=O)C1=CC=CC=C1I ACI-06025 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.195 CNS(=O)(=O)C1=CC=CN=C1Cl ACI-06060 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.195 CNS(=O)(=O)C1=CC=CN=C1F ACI-06061 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.228 CC1=C(Br)C=CC=C1S(=O)(=O)Cl ACI-02416 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.228 CC1=C(Br)C=CC=C1S(N)(=O)=O ACI-04563 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.228 NS(=O)(=O)C1=C(Br)C(F)=CC=C1 ACI-04581 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.228 NS(=O)(=O)C1=CC=CC(Br)=C1F ACI-04576 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.228 O=S(=O)(Cl)C1=C(Br)C(F)=CC=C1 ACI-02561 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.228 O=S(=O)(Cl)C1=CC=CC(Br)=C1F ACI-02551 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.1010 CC1=C(S(=O)(=O)Cl)C(Cl)=NC=C1 ACI-01155 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.1010 CC1=C(S(N)(=O)=O)C(Cl)=NC=C1 ACI-01130 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.1010 CC1=CC=CC(Br)=C1S(=O)(=O)Cl ACI-04003 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.1010 CC1=CC=CC(Br)=C1S(N)(=O)=O ACI-04002 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.1010 NS(=O)(=O)C1=C(Br)C=CC=C1F ACI-04578 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.1010 O=S(=O)(Cl)C1=C(Br)C=CC=C1F ACI-02555 [0,1,0,0,0,0|2,0,0]=3 70 B12R2.2403 O=S1(=O)C=CC2=CC=CC=C21 ACI-03834 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.65 CN1N=CC=C1S(N)(=O)=O ACI-04537 [0,0,0,0,1,0|3,0,0]=4 72 B10R1.65 NS(=O)(=O)C1=C(Br)C=CS1 ACI-04550 [0,0,0,0,1,0|2,0,0]=3 73 B10R1.65 O=S(=O)(Cl)C1=C(Br)C=CS1 ACI-02012 [0,0,0,0,1,0|3,0,0]=4 74 B12R1.151 CC1=CC=CC=C1CS(N)(=O)=O ACI-04538 [0,0,0,0,0,1|1,0,0]=2 75 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 ACI-NI-00765 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 ACI-04575 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.19 NS(=O)(=O)C1=CC=C(Cl)N=C1 ACI-04544 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.19 NS(=O)(=O)C1=CN=C(Cl)N=C1 ACI-04545 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.19 O=S(=O)(Cl)C1=CN=C(Cl)C=C1 ACI-NI-00710 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.155 CC1=CN=CC(S(=O)(=O)Cl)=C1 ACI-04604 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.53 CCC1=CC=CC=C1C(N)=O ACI-05454 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=C1 ACI-03957 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.167 NC(=O)C1=C(F)C=CC(Cl)=C1 ACI-03958 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.167 NC(=O)C1=CC(Br)=CC=C1Cl ACI-05398 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.167 NC1=CC=C(I)C=C1[N+](=O)[O-] ACI-01595 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.137 CNS(=O)(=O)C1=C(Br)C=CS1 ACI-06091 [0,1,0,0,1,0|2,0,0]=4 95 B13R1.275 CNS(=O)(=O)CC1=CC=CC=C1C ACI-06079 [0,1,0,0,0,1|1,0,0]=3 96 B13R1.349 NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] ACI-05588 [0,2,0,0,0,0|0,0,1]=3 97 B13R1.2129 CNS(=O)(=O)C1=CC=CC=C1C#N ACI-06027 [0,2,0,0,0,0|0,0,1]=3 98 B13R1.2136 COC1=CC=CC(F)=C1S(=O)(=O)Cl ACI-04609 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.3090 N#CC1=CC=C(Cl)C=C1S(=O)(=O)Cl ACI-04098 [0,2,0,0,0,0|1,0,1]=4 100 B13R1.96 COC1=CC=C(S(N)(=O)=O)C(Cl)=N1 JM-03I-002 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.96 N#CC1=CC=C(S(=O)(=O)Cl)C(Cl)=C1 ACI-00366 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.96 N#CC1=CC=C(S(N)(=O)=O)C(Cl)=C1 ACI-04524 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.877 CC1=C(F)C=C(Cl)C(S(=O)(=O)Cl)=C1 ACI-02199 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.877 CC1=C(F)C=C(Cl)C(S(N)(=O)=O)=C1 ACI-04554 [0,2,0,0,0,0|1,0,0]=3 105 B13R1.2809 CC1=CC(C)=C(S(=O)(=O)[O-])C(C)=C1 ACI-04688 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.4183 CNS(=O)(=O)C1=C(Br)C=C(C)C=C1 ACI-06103 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.4183 CNS(=O)(=O)C1=C(Br)C=C(F)C=C1 ACI-06122 [0,2,0,0,0,0|1,0,0]=3 108 B13R1.4183 CNS(=O)(=O)C1=C(C)N=C(Cl)C=C1 ACI-06114 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.4183 CNS(=O)(=O)C1=CC=C(Br)C=C1F ACI-06120 [0,2,0,0,0,0|1,0,0]=3 110 B13R1.4183 CNS(=O)(=O)C1=CC=C(C)N=C1Cl ACI-06071 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.4183 CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl ACI-06070 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.98 COC1=CC=C(Cl)C(S(=O)(=O)Cl)=C1 ACI-04099 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.98 N#CC1=CC=C(Cl)C(S(=O)(=O)Cl)=C1 ACI-04095 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.98 N#CC1=CC=C(Cl)C(S(N)(=O)=O)=C1 ACI-04523 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.98 N#CC1=CC=C(F)C(S(=O)(=O)Cl)=C1 JL-14A-004 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.257 CNS(=O)(=O)C1=C(F)C=CC(N)=C1 ACI-03822 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.257 CNS(=O)(=O)C1=CC(Br)=CC=C1F ACI-06117 [0,2,0,0,0,0|1,0,0]=3 118 B13R1.257 CNS(=O)(=O)C1=CC(C)=CN=C1Cl ACI-06069 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.257 CNS(=O)(=O)C1=CC(Cl)=CN=C1Cl ACI-06066 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.257 CNS(=O)(=O)C1=CC(Cl)=CN=C1N ACI-06059 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.257 CNS(=O)(=O)C1=CC(F)=CC=C1Br ACI-06119 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.7 CNS(=O)(=O)C1=C(Br)C(F)=CC=C1 ACI-06121 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.7 CNS(=O)(=O)C1=CC=CC(Br)=C1C ACI-06105 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.7 CNS(=O)(=O)C1=CC=CC(Br)=C1F ACI-06116 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.8256 CNS(=O)(=O)C1=C(Br)C=CC=C1F ACI-06118 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.8256 CNS(=O)(=O)C1=C(C)C=CC=C1Br ACI-06145 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.8256 CNS(=O)(=O)C1=C(C)C=CN=C1Cl ACI-06065 [0,2,0,0,0,0|2,0,0]=4 128 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.3791 NC1=CC=C2C=CS(=O)(=O)C2=C1 ACI-03836 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.3791 NC1=CC=C2CCS(=O)(=O)C2=C1 ACI-05778 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.19 NS(=O)(=O)C1=CSC=C1 ACI-04531 [1,0,0,0,1,0|1,0,0]=3 132 B9R1.19 O=S(=O)(Cl)C1=CSC=C1 JM-04E-001 [1,0,0,0,1,0|2,0,0]=4 133 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [1,0,0,0,0,1|2,0,0]=4