0 B9R1.69 CC1=C(N)C=NC(N)=C1 4925AH [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(Br)=C(N)C=N1 1375AA [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=CC(N)=C(N)C=N1 3446AC [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 CC1=CC=C(Cl)NC1=O 5043AA [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CN=C(Br)N=C1N 6661AA [0,0,0,0,0,0|2,0,1]=3 5 B9R1.69 CC1=CN=C(C)C=C1O 1272AB [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=CNC(=O)N=C1Cl 0332AA [0,0,0,0,0,0|2,0,2]=4 7 B9R1.69 CC1=NC(N)=C(Cl)C=C1 8342AB [0,0,0,0,0,0|2,1,1]=4 8 B9R1.69 CC1=NC(N)=C(S)C=C1 3971AB [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 CC1=NC=C(Cl)C(N)=C1 6847AC [0,0,0,0,0,0|2,1,0]=3 10 B9R1.69 CC1=NC=C(I)C(=O)N1 2031AA [0,0,0,0,0,0|2,1,0]=3 11 B9R1.69 CC1=NC=C(N)C(=O)N1 7532AB [0,0,0,0,0,0|3,0,0]=3 12 B9R1.69 CC1=NNC(=O)C(N)=C1 4121AD [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 FC1=CN=C(Cl)C=C1F Y9275 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.69 FC1=CN=C(F)C=C1F 2895AC [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 FC1=NC=C(I)C(Cl)=C1 2997AA [0,0,0,0,0,0|3,1,0]=4 16 B9R1.69 NC1=C(I)C=CC(O)=C1 7024AC [0,0,0,0,0,0|2,1,1]=4 17 B9R1.69 NC1=CC(Cl)=C(F)C=N1 Y1658 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.69 NC1=CC(F)=NC=C1F 1403AJ [0,0,0,0,0,0|2,0,0]=2 19 B9R1.69 NC1=CC(N)=NC=C1Br 4564AA [0,0,0,0,0,0|2,1,0]=3 20 B9R1.69 NC1=CC=C(F)C(N)=N1 Z5416 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.69 NC1=CN=C(N)N=C1N 5083AC [0,0,0,0,0,0|2,0,1]=3 22 B9R1.69 NC1=NC(=O)NCC1=O 1701AC [0,0,0,0,0,0|1,0,3]=4 23 B9R1.69 NC1=NC=C(O)C(N)=N1 0845AC [0,0,0,0,0,0|2,0,1]=3 24 B9R1.69 NC1=NC=C(O)C(O)=N1 5545AB [0,0,0,0,0,0|3,0,1]=4 25 B9R1.69 O=C1N=C(Br)C(Br)=CN1 0604AA [0,0,0,0,0,0|1,1,2]=4 26 B9R1.69 O=C1NC(=S)NC=C1F 7741AA [0,0,0,0,0,0|1,1,1]=3 27 B8R1.3 O=C1N=CC(Br)=CN1 2652AC [1,0,0,0,0,0|0,1,0]=2 28 B8R1.3 SC1=CC=C(Cl)C=N1 2810AE [1,0,0,0,0,0|1,2,0]=4 29 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [1,0,0,0,0,0|2,1,0]=4 30 B8R1.4 NC1=CC(O)=CC=C1 I722 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.4 NC1=CC=NC(=S)N1 0783AQ [1,0,0,0,0,0|0,1,0]=2 32 B8R1.4 O=C1C=C(Cl)C=CO1 5500AA [1,0,0,0,0,0|3,0,0]=4 33 B8R1.4 S=C1N=CC=C(Cl)N1 9584AB [1,0,0,0,0,0|1,1,0]=3 34 B8R1.4 SC1=CC(Cl)=NC=C1 Y5887 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.5 CC1=C(F)C=CN=C1 2798AB [1,0,0,0,0,0|3,0,0]=4 36 B8R1.5 ClC1=C(Br)C=NC=N1 3132AJ [1,0,0,0,0,0|1,1,1]=4 37 B8R1.5 NC1=CC=CC=C1Br 6262AC [1,0,0,0,0,0|2,1,0]=4 38 B8R1.5 O=C1NC=CC=C1I 2032AA [1,0,0,0,0,0|2,1,0]=4 39 B10R1.22 CC1=C(C)C(=O)N=C(N)N1 2486AE [0,1,0,0,0,0|3,0,0]=4 40 B10R1.22 CC1=NC(N)=C(Cl)C(Cl)=N1 2910AB [0,1,0,0,0,0|1,1,1]=4 41 B10R1.22 CC1=NC(N)=C(O)C(Cl)=N1 Y1954 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.22 CC1=NC(N)=NC(N)=C1I 6395AD [0,1,0,0,0,0|1,1,1]=4 43 B10R1.22 CC1=NC(O)=C(Cl)C(=O)N1 3338AA [0,1,0,0,0,0|2,1,0]=4 44 B10R1.22 FC1=CC(Br)=C(F)C(F)=N1 3122AC [0,1,0,0,0,0|3,0,0]=4 45 B10R1.22 NC1=C(N)C(=O)NC(=S)N1 0830AQ [0,1,0,0,0,0|1,1,1]=4 46 B10R1.25 C=CC1=CNC(=O)NC1=O 1819AE [0,1,0,0,0,0|2,0,1]=4 47 B10R1.25 CC1=NC(N)=C(CBr)C=N1 2088AB [0,1,0,0,0,0|1,1,1]=4 48 B10R1.25 CC1=NC=C(C=O)C(N)=N1 Y9951 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.25 CC1=NC=C(CO)C(=O)N1 0808AC [0,1,0,0,0,0|3,0,0]=4 50 B10R1.25 N#CC1=CN=C(N)C=C1N 1766AC [0,1,0,0,0,0|3,0,0]=4 51 B10R1.25 NC1=C(C=O)C=NC(Br)=C1 2639AJ [0,1,0,0,0,0|3,0,0]=4 52 B10R1.25 NC1=CC(N)=C(C=O)C=N1 0535AB [0,1,0,0,0,0|3,0,0]=4 53 B10R1.25 NC1=CC(N)=C(C=O)C=N1 9409AA [0,1,0,0,0,0|3,0,0]=4 54 B10R1.25 NC1=NC=C(CBr)C(N)=N1 4801AC [0,1,0,0,0,0|1,1,1]=4 55 B10R1.25 NC1=NC=C(CO)C(N)=N1 5841AB [0,1,0,0,0,0|2,0,1]=4 56 B10R1.25 NCC1=CN=C(N)N=C1N 6153AB [0,1,0,0,0,0|2,0,1]=4 57 B10R1.25 O=C1NC=C(CS)C(=O)N1 2930AL [0,1,0,0,0,0|2,0,1]=4 58 B10R1.25 O=CC1=CNC(=O)NC1=O Y3272 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.25 [C-]#[N+]C1=CN=C(N)C=C1N 3283AD [0,1,0,0,0,0|3,0,0]=4 60 B10R1.30 N#CC1=CC(F)=NC=C1F 1402AJ [0,1,0,0,0,0|2,0,1]=4 61 B10R1.30 NNC1=CC(Cl)=CC=C1F 5195AB [0,1,0,0,0,0|3,0,0]=4 62 B10R1.30 O=CC1=CC(O)=NC=C1F 9538AJ [0,1,0,0,0,0|2,0,1]=4 63 B10R1.119 CC1=NC=C(Br)C(N)=C1Br 5190AA [0,1,0,0,0,0|2,1,0]=4 64 B10R1.119 FC1=C(F)C(F)=C(F)N=C1 4322AB [0,1,0,0,0,0|3,0,0]=4 65 B10R1.119 FC1=CN=C(F)C(F)=C1I 1289AA [0,1,0,0,0,0|3,0,0]=4 66 B10R1.119 NC1=C(Br)C=NC(Br)=C1Br 0929AF [0,1,0,0,0,0|2,1,0]=4 67 B10R1.119 NC1=C(F)C(F)=NC=C1F 8178AC [0,1,0,0,0,0|2,0,0]=3 68 B10R1.119 NC1=C(I)C(Cl)=NC=C1I 9840AC [0,1,0,0,0,0|2,1,0]=4 69 B10R1.119 NC1=C(N)C(Br)=NC=C1F X9537 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.119 NC1=C(N)C(Cl)=NC=C1F W6104 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.176 CC1=CC(C=O)=NC=C1Cl Z1006 [0,1,0,0,0,0|2,1,0]=4 72 B10R1.176 COC1=NC(N)=C(N)C=N1 1087AA [0,1,0,0,0,0|1,0,2]=4 73 B10R1.176 NC1=CC(C=O)=CC=C1Br V5484 [0,1,0,0,0,0|2,1,0]=4 74 B10R1.176 NC1=CN=C(C=O)C=C1N 5458AA [0,1,0,0,0,0|2,0,0]=3 75 B8R1.18 CC1=C(C)NC(=O)N1 1527AA [0,0,0,0,1,0|2,0,1]=4 76 B8R1.50 CC1=NOC(C)=C1N 8024AJ [0,0,0,0,1,0|3,0,0]=4 77 B8R1.50 NN1C(=O)C=CC1=O 4829AB [0,0,0,0,1,0|3,0,0]=4 78 B7R1.3 ClC1=NC=CC=N1 2179AC [2,0,0,0,0,0|1,0,1]=4 79 B7R1.3 IC1=NC=NC=C1 9969AD [2,0,0,0,0,0|1,0,1]=4 80 B7R1.3 OC1=NC=CC=N1 Y4949 [2,0,0,0,0,0|0,0,2]=4 81 B7R1.3 [O-]C1=CC=CN=C1 P818 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.1 NCC1=NC=C(F)C=N1 3894AJ [1,1,0,0,0,0|1,0,1]=4 83 B9R1.1 NCC1=NC=C(F)C=N1 8843AH [1,1,0,0,0,0|1,0,1]=4 84 B9R1.1 NNC1=NC=C(F)C=C1 Y2066 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.1 O=CC1=NC=C(Br)C=N1 6187AC [1,1,0,0,0,0|0,1,1]=4 86 B9R1.1 O=CC1=NC=C(F)C=N1 3220AJ [1,1,0,0,0,0|0,0,1]=3 87 B9R1.2 CNC1=NC=CC(N)=C1 5548AC [1,1,0,0,0,0|2,0,0]=4 88 B9R1.2 N#CC1=NC=CC(N)=N1 8245AD [1,1,0,0,0,0|1,0,1]=4 89 B9R1.2 NC1=CC=NC(CCl)=N1 2442AC [1,1,0,0,0,0|1,0,1]=4 90 B9R1.2 O=CC1=NC=CC(Cl)=N1 6188AC [1,1,0,0,0,0|1,0,1]=4 91 B9R1.2 O=CC1=NC=CC(F)=C1 1362AA [1,1,0,0,0,0|2,0,0]=4 92 B9R1.3 CC1=C(N)C=CN=C1I 2362AC [1,1,0,0,0,0|2,0,0]=4 93 B9R1.3 CC1=NC=CC(N)=C1N Z4231 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.3 NC1=C(O)C(I)=NC=C1 9844AC [1,1,0,0,0,0|2,0,0]=4 95 B9R1.3 NC1=NC=CC(N)=C1N 7428AB [1,1,0,0,0,0|2,0,0]=4 96 B9R1.34 CC1=CC(=O)NC(N)=C1 V4867 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.34 CC1=CC(N)=CC(N)=N1 X4345 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.34 CC1=CC(N)=NC(Br)=N1 6894AA [1,1,0,0,0,0|1,0,1]=4 99 B9R1.34 NC1=NC(=O)NC(Cl)=C1 0082AP [1,1,0,0,0,0|1,0,0]=3 100 B9R1.34 O=C1C=C(Br)NC(=O)N1 Y1906 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.34 O=C1C=C(F)NC(=O)N1 8793AB [1,1,0,0,0,0|1,0,1]=4 102 B9R1.34 O=C1C=C(I)C=C(O)N1 9694AB [1,1,0,0,0,0|2,0,0]=4 103 B9R1.15 COC1=CN=CNC1=O 1032AC [1,1,0,0,0,0|2,0,0]=4 104 B9R1.15 NCC1=C(N)C=NC=C1 7105AA [1,1,0,0,0,0|2,0,0]=4 105 B11R1.32 CN1C(=O)NC(N)=C(N)C1=O Z2932 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.32 CN1C=C(F)C(=O)N(C)C1=O 1409AQ [0,2,0,0,0,0|1,0,1]=4 107 B11R1.32 NC1=C(Cl)C(F)=NC(F)=C1F 8839AD [0,2,0,0,0,0|2,0,0]=4 108 B11R1.32 NC1=C(N)C(F)=C(F)N=C1F 9437AB [0,2,0,0,0,0|2,0,0]=4 109 B11R1.278 O=CC1=NC=C(F)C(Cl)=C1F 2770AJ [0,2,0,0,0,0|2,0,0]=4 110 B11R1.167 CN(C)C1=NC(Cl)=NC=C1F 1467AE [0,2,0,0,0,0|1,0,1]=4 111 B11R1.21 NC1=CN=C(C(=O)O)C=C1N 6504AA [0,2,0,0,0,0|2,0,0]=4 112 B7R1.2 CC1=CN=C(N)N1 X7979 [1,0,0,0,1,0|2,0,0]=4 113 B7R1.2 O=C1C=C(Br)CN1 X5058 [1,0,0,0,1,0|0,1,1]=4 114 B7R1.4 CC1=C(N)C=CS1 1720AB [1,0,0,0,1,0|2,0,0]=4 115 B7R1.4 CC1=C(N)OC=N1 1683AC [1,0,0,0,1,0|2,0,0]=4 116 B7R1.4 NC1=C(Br)SC=C1 1486AA [1,0,0,0,1,0|2,0,0]=4