0 B9R1.15 C#CC1=NC=CC=C1O 6972AA [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 C=CC1=NC=CC=C1Br 2479AC [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 CC1=NC=CC=C1CBr X4783 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 CC1=NC=CC=C1CO X2884 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 CC1=NC=CN=C1CO 8119AA [0,0,0,0,0,0|2,0,0]=2 5 B9R1.15 CCC1=CN=CN=C1O 3208AJ [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CNC1=NC=CN=C1Cl 5057AE [0,0,0,0,0,0|2,0,0]=2 7 B9R1.15 COC1=CN=CN=C1Br 3690AA [0,0,0,0,0,0|3,1,0]=4 8 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.15 N#CC1=NC=CN=C1I Y1538 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 NCC1=C(N)C=CC=N1 5249AJ [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 NCC1=CC=CN=C1N 4362AD [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 NCC1=NC=CN=C1N 5683AJ [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 COC1=NC=CN=N1 2841AB [1,0,0,0,0,0|1,1,0]=3 15 B8R1.2 ClCC1=CC=CC=N1 V2306 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 ClCC1=NC=CN=C1 Y8973 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 NCC1=NC=CN=C1 9838AJ [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 NNC1=CC=CN=C1 Z1664 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 OCC1=NC=CC=C1 D931 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.5 CC1=NC=CC=C1O 9469AJ [1,0,0,0,0,0|1,1,0]=3 21 B10R1.2 CC1=C(C)C(C=O)=NC=C1 X5635 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.2 COC1=NC=CC(N)=C1Cl X2057 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.4 CCOC1=CC=CN=C1F Z0876 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.4 NC1=NC=CC=C1CCO 6447AC [0,1,0,0,0,0|3,0,0]=4 25 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [0,1,0,0,0,0|3,0,0]=4 26 B10R1.20 COC1=CC=CC=C1CBr X5311 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.20 COC1=NC=CC=C1CCl 8200AA [0,1,0,0,0,0|1,1,0]=3 28 B10R1.20 COC1=NC=CC=C1CCl Z3937 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.20 N#CC1=CC=CN=C1CBr 2765AA [0,1,0,0,0,0|3,0,0]=4 30 B10R1.20 N#CC1=NC=CC=C1CCl 0559AB [0,1,0,0,0,0|3,0,0]=4 31 B10R1.20 OCC1=C(CO)N=CC=C1 4897AB [0,1,0,0,0,0|3,0,0]=4 32 B10R1.20 OCC1=CC=CN=C1CO 5844AB [0,1,0,0,0,0|3,0,0]=4 33 B10R1.25 CC1=CC(C)=C(CBr)N=C1 8736AA [0,1,0,0,0,0|3,0,0]=4 34 B10R1.25 CC1=CN=C(C#N)C(C)=C1 Y4016 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.25 CC1=NC(N)=C(CO)N=C1 3606AC [0,1,0,0,0,0|3,0,0]=4 36 B10R1.25 COC1=C(C)N=C(N)C=C1 7378AB [0,1,0,0,0,0|1,1,0]=3 37 B10R1.25 COC1=CC=C(I)N=C1I 3576AE [0,1,0,0,0,0|2,1,0]=4 38 B10R1.25 COC1=NC=C(C)C=C1C W9915 [0,1,0,0,0,0|1,1,0]=3 39 B10R1.25 COC1=NC=C(Cl)C=C1I 3329AD [0,1,0,0,0,0|2,1,0]=4 40 B10R1.25 COC1=NC=C(N)C=C1C X9137 [0,1,0,0,0,0|1,1,0]=3 41 B10R1.25 CSC1=CC=C(F)C=C1O Y3948 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl 6527AA [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 CCC1=C(C)C=CC(C)=C1 5606AL [0,1,0,0,0,0|3,0,0]=4 44 B10R1.30 CCC1=C(N)C=CC(Cl)=N1 5191AC [0,1,0,0,0,0|3,0,0]=4 45 B10R1.30 CNC1=CC(Br)=CC=C1C Z8011 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.30 CNC1=NC(Br)=CN=C1N Y6292 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.30 CNC1=NC(C)=CC=C1N W3389 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.30 COC1=C(Cl)N=CC(N)=C1 W8292 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.30 COC1=CC(C)=CN=C1F Y3762 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.30 COC1=CC(I)=CN=C1Br 8992AC [0,1,0,0,0,0|2,1,0]=4 51 B10R1.30 COC1=CC(I)=CN=C1I 9143AC [0,1,0,0,0,0|2,1,0]=4 52 B10R1.30 COC1=CC(O)=CN=C1F Y3888 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.30 N#CC1=C(Br)N=CC(Br)=N1 6276AA [0,1,0,0,0,0|3,0,0]=4 54 B10R1.30 NCC1=NC(Cl)=CN=C1N 2834AA [0,1,0,0,0,0|3,0,0]=4 55 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl 6377AA [0,1,0,0,0,0|3,0,0]=4 56 B10R1.61 CC(=O)C1=C(C)C=NC=N1 5784AC [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.61 CC1=CC=CN=C1C(=N)N 2363AJ [0,1,0,0,0,0|3,0,0]=4 59 B10R1.245 CNC1=C(C)C=CC=C1C 9464AE [0,1,0,0,0,0|3,0,0]=4 60 B10R1.245 COC1=C(I)C=CN=C1Br 3337AD [0,1,0,0,0,0|2,1,0]=4 61 B10R1.245 COC1=C(O)C=CN=C1Br 3041AD [0,1,0,0,0,0|2,1,0]=4 62 B10R1.245 COC1=C(O)C=CN=C1F Y3759 [0,1,0,0,0,0|2,1,0]=4 63 B10R2.7 C1=CC2=C(N=C1)SC=N2 2596AB [0,0,0,1,0,0|2,0,1]=4 64 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [0,0,0,1,0,0|3,0,0]=4 65 B10R2.7 C1=CN=C2CNCC2=N1 3375AJ [0,0,0,1,0,0|2,0,0]=3 66 B10R2.7 C1=CN=C2OCOC2=C1 1199AC [0,0,0,1,0,0|2,1,0]=4 67 B8R1.11 C=CN1C=CN=C1C 5702AL [0,0,0,0,1,0|2,0,1]=4 68 B8R1.11 CC1=C(C#N)N=CN1 1655AA [0,0,0,0,1,0|2,0,1]=4 69 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,0,0,0,1,0|2,0,1]=4 70 B8R1.11 CC1=C(CCl)SC=N1 7109AC [0,0,0,0,1,0|3,0,0]=4 71 B8R1.11 CC1=C(CN)N=CN1 7784AE [0,0,0,0,1,0|2,0,1]=4 72 B8R1.11 CC1=NON=C1C=O 5066AC [0,0,0,0,1,0|3,0,0]=4 73 B8R1.11 CCC1=C(C)N=CS1 3502AB [0,0,0,0,1,0|2,0,0]=3 74 B8R1.11 CCC1=CC=NN1C 2989AE [0,0,0,0,1,0|2,0,0]=3 75 B8R1.11 CCC1=CNN=C1N Q798 [0,0,0,0,1,0|3,0,0]=4 76 B8R1.11 CN1C=CN=C1CN 7571AB [0,0,0,0,1,0|3,0,0]=4 77 B8R1.11 CN1N=CC=C1CN 3010AA [0,0,0,0,1,0|3,0,0]=4 78 B8R1.11 CNC1=C(N)C=CS1 5831AA [0,0,0,0,1,0|3,0,0]=4 79 B8R1.11 COC1=C(I)SC=C1 9868AB [0,0,0,0,1,0|2,1,0]=4 80 B7R1.3 [O-]C1=CC=CN=C1 P818 [2,0,0,0,0,0|1,1,0]=4 81 B9R1.1 CC1=CN=C(NN)C=N1 W3597 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [1,1,0,0,0,0|2,0,0]=4 83 B9R1.1 CCC1=NC=C(C)C=C1 9500AA [1,1,0,0,0,0|2,0,0]=4 84 B9R1.1 COC1=CNC(=O)C=N1 6210AA [1,1,0,0,0,0|0,1,1]=4 85 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,1,0,0,0,0|1,0,0]=3 86 B9R1.1 CSC1=NC=C(N)C=N1 6318AJ [1,1,0,0,0,0|2,0,0]=4 87 B9R1.1 ClCC1=CN=C(Cl)C=N1 1322AA [1,1,0,0,0,0|2,0,0]=4 88 B9R1.2 CNC1=NC=CC(N)=C1 5548AC [1,1,0,0,0,0|2,0,0]=4 89 B9R1.2 NCC1=NC(Cl)=CN=C1 1377AA [1,1,0,0,0,0|2,0,0]=4 90 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,1,0,0,0,0|2,0,0]=4 94 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,1,0,0,0,0|2,0,0]=4 95 B9R1.8 NNCC1=NC=CN=C1 1808AL [1,1,0,0,0,0|2,0,0]=4 96 B9R1.8 NNCC1=NC=CN=C1 5211AA [1,1,0,0,0,0|2,0,0]=4 97 B9R1.3 CC1=C(Br)C=CN=C1N 4350AA [1,1,0,0,0,0|2,0,0]=4 98 B9R1.3 CC1=C(N)C=CN=C1I 2362AC [1,1,0,0,0,0|2,0,0]=4 99 B9R1.3 CC1=NC=CC(Cl)=C1N 3692AA [1,1,0,0,0,0|2,0,0]=4 100 B9R1.3 CC1=NC=CC(N)=C1N Z4231 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 CC1=C(Cl)N=CC(N)=N1 6250AB [1,1,0,0,0,0|1,0,0]=3 102 B9R1.69 CC1=C(I)C=CC(Br)=N1 5952AH [1,1,0,0,0,0|2,0,0]=4 103 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [1,1,0,0,0,0|2,0,0]=4 104 B9R1.69 CC1=CC(F)=CN=C1I 6753AB [1,1,0,0,0,0|2,0,0]=4 105 B9R1.69 CC1=CC=C(C)C(Br)=N1 5008AH [1,1,0,0,0,0|2,0,0]=4 106 B9R1.69 CC1=CN=C(F)C(C)=C1 Y3683 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.69 CC1=NC(N)=C(S)C=C1 3971AB [1,1,0,0,0,0|2,0,0]=4 108 B9R1.69 NC1=C(S)N=C(Br)C=N1 0601AC [1,1,0,0,0,0|1,0,0]=3 109 B9R1.69 NC1=CN=C(Cl)C(N)=N1 2251AJ [1,1,0,0,0,0|2,0,0]=4 110 B9R1.14 CCN1C=CN=C1CO 7181AE [0,1,0,0,1,0|2,0,0]=4 111 B9R1.14 CCN1N=CC=C1CO Y5139 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.22 CCN1N=C(C)C=C1C 9243AA [0,1,0,0,1,0|2,0,0]=4 113 B9R1.22 CNC1=CC(C)=NN1C Z2924 [0,1,0,0,1,0|2,0,0]=4 114 B9R1.27 CCN1C(Cl)=CN=C1C 1408AQ [0,1,0,0,1,0|2,0,0]=4 115 B9R1.33 CNCC1=C(C)N=CS1 3248AF [0,1,0,0,1,0|2,0,0]=4 116 B9R1.33 CNCC1=CC=NN1C Y4732 [0,1,0,0,1,0|2,0,0]=4 117 B9R1.33 CNCC1=NON=C1C 8744AB [0,1,0,0,1,0|2,0,0]=4 118 B9R1.41 CC(=O)C1=C(C)N=CO1 1471AB [0,1,0,0,1,0|2,0,0]=4 119 B9R1.41 CC(=O)C1=NON=C1C 8383AA [0,1,0,0,1,0|2,0,0]=4 120 B9R1.41 CC(N)C1=CC=NN1C 2914AF [0,1,0,0,1,0|2,0,0]=4 121 B11R1.265 COC1=C(OC)C(C)=NC=C1 3686AA [0,2,0,0,0,0|1,1,0]=4 122 B11R1.265 COC1=NC=CC(O)=C1OC 2828AJ [0,2,0,0,0,0|1,1,0]=4 123 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [0,2,0,0,0,0|2,0,0]=4 124 B11R1.222 CC1=CC=CN=C1C(=O)CCl 1636AJ [0,2,0,0,0,0|2,0,0]=4 125 B11R1.37 COC1=C(CO)C=C(Cl)C=N1 1261AE [0,2,0,0,0,0|1,1,0]=4 126 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [0,2,0,0,0,0|1,1,0]=4 127 B11R1.37 COC1=C(OC)N=CC(N)=C1 Y3263 [0,2,0,0,0,0|1,1,0]=4 128 B11R1.277 CC1=NC(C)=C(C)N=C1CBr X7946 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.279 CCC1=NC(Cl)=C(CC)N=C1 0431AC [0,2,0,0,0,0|2,0,0]=4 130 B11R1.279 COC1=CN=C(OC)C(C)=C1 Z0104 [0,2,0,0,0,0|1,1,0]=4 131 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.167 CC(=O)C1=NC(C)=CC=C1C 2480AC [0,2,0,0,0,0|2,0,0]=4 133 B11R2.106 CC1=NC=CC2=C1N=NC2 3428AC [0,1,0,1,0,0|2,0,0]=4 134 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [0,1,0,1,0,0|2,0,0]=4 135 B11R2.1 NC1CCC2=NC=CC=C21 7640AB [0,1,0,1,0,0|2,0,0]=4 136 B11R2.1 OC1CCC2=C1C=CC=N2 1442AA [0,1,0,1,0,0|2,0,0]=4 137 B11R2.36 BrC1=NC2=C(N=CS2)N=C1 3847AC [0,1,0,1,0,0|1,0,1]=4 138 B11R2.36 CC1=CC2=C(CCC2)N=C1 2832AB [0,1,0,1,0,0|2,0,0]=4 139 B11R2.36 ClC1=CN=C2CCCC2=C1 5171AA [0,1,0,1,0,0|2,0,0]=4 140 B11R2.36 NC1=NC=C2SCCC2=N1 0585AQ [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 CCC1=CNN=C1 5501AD [1,0,0,0,1,0|2,0,0]=4 142 B7R1.1 CCC1=CSC=N1 9240AA [1,0,0,0,1,0|2,0,0]=4 143 B7R1.1 CNC1=NC=CO1 6947AC [1,0,0,0,1,0|2,0,0]=4 144 B7R1.1 CSC1=CC=CO1 3661AD [1,0,0,0,1,0|1,0,0]=3 145 B7R1.4 CC1=C(N)C=CS1 1720AB [1,0,0,0,1,0|2,0,0]=4 146 B7R1.4 CC1=C(N)N=CN1 3265AJ [1,0,0,0,1,0|1,0,1]=4 147 B7R1.4 CC1=C(N)OC=N1 1683AC [1,0,0,0,1,0|2,0,0]=4