0 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 CC(O)C1=C(N)C=CC=N1 9430AH [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 CC1=C(NN)C=CC=C1 1069AL [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 CCC1=C(C)C=CN=C1 R348 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 CCC1=CC=CN=C1C X8230 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 CCC1=CN=CNC1=O 3205AJ [1,0,0,0,0,0|2,0,1]=4 22 B9R1.15 CNC1=NC=CC=C1I Y3706 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 FC1=C(CBr)C=CN=C1 Y7275 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 FC1=C(CBr)N=CC=C1 4239AA [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 N#CC1=C(S)C=CC=C1 Y1771 [1,0,0,0,0,0|1,1,1]=4 28 B9R1.15 N#[N+]C1=CC=CC=C1Cl T270 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.53 C#CC1=CC=CC=C1C(C)C X5377 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.53 COC1=C(C(C)Br)C=CC=C1 1291AB [0,1,0,0,0,0|1,0,0]=2 32 B11R1.53 COC1=CC=CC=C1[C@@H](C)N W7850 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.53 COC1=CC=CC=C1[C@H](C)N W7851 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.53 O=C(O)C1=C([Hg]O)C=CC=C1 7844AF [0,1,0,0,0,0|2,0,1]=4 35 B11R1.87 CC(C)(O)C1=CC=CN=C1F 7947AJ [0,1,0,0,0,0|2,0,0]=3 36 B11R1.87 C[Si](C)(C)C1=CC=CC=C1F 4722AJ [0,1,0,0,0,0|1,1,0]=3 37 B11R1.87 C[Sn](C)(C)C1=CC=CN=C1Br Y3110 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.87 O=S(=O)(O)C1=C(O)C=CC=C1 7663AF [0,1,0,0,0,0|3,0,0]=4 39 B11R1.87 O=S(=O)([O-])C1=C(O)C=CC=C1 5302AF [0,1,0,0,0,0|3,0,0]=4 40 B11R1.87 O=S(=O)([O-])C1=C(O)C=CC=C1 5303AF [0,1,0,0,0,0|3,0,0]=4 41 B11R1.156 CC(N)C1=C(Cl)C=CC=C1Cl 8895AA [0,1,0,0,0,0|2,0,0]=3 42 B11R1.156 C[C@@H](N)C1=C(Cl)C=CC=C1Cl 2262AA [0,1,0,0,0,0|2,0,0]=3 43 B11R1.156 C[C@@H](O)C1=C(Cl)C=CC=C1Cl 8928AH [0,1,0,0,0,0|2,0,0]=3 44 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1Cl X9493 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.156 C[C@H](O)C1=C(Cl)C=CC=C1Cl 8393AH [0,1,0,0,0,0|2,0,0]=3 46 B11R1.159 CC1=C(S)C(C(C)C)=CC=C1 Z2574 [0,1,0,0,0,0|0,1,0]=2 47 B11R1.159 ClC1=C(Cl)C(C(Cl)Cl)=CC=C1 5218AL [0,1,0,0,0,0|3,0,0]=4 48 B11R1.166 CC1=CC=C(B(O)O)C(O)=C1 2171AB [0,1,0,0,0,0|3,0,0]=4 49 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [0,1,0,0,0,0|2,0,1]=4 51 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 Q822 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.166 OB(O)C1=CC=C(Br)C=C1O Z1485 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 W6200 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.167 CC1=CN=C(F)C(C(C)O)=C1 Z1231 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 3166AC [0,1,0,0,0,0|2,0,0]=3 56 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 6826AC [0,1,0,0,0,0|2,0,0]=3 57 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [0,0,0,1,0,0|2,0,1]=4 58 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [0,0,0,1,0,0|1,0,1]=3 59 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [0,0,0,1,0,0|1,1,1]=4 60 B11R2.1 NC1CCC2=C1C=NC=C2 3373AJ [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [0,0,0,1,0,0|2,0,0]=3 62 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [0,0,0,1,0,0|2,0,0]=3 63 B11R1.86 CC(C)OC1=CC=CN=C1F Z0174 [0,0,0,0,0,1|2,0,0]=3 64 B11R1.86 CC(N)CC1=CC=CC=C1F 8826AA [0,0,0,0,0,1|2,0,0]=3 65 B8R0.4 CCC\C=C\C=C\C=O R556 [1,0,1,0,0,0|0,0,2]=4 66 B8R0.4 CCC\C=C\C=C\C=O W5281 [1,0,1,0,0,0|0,0,2]=4 67 B8R1.2 BrCC1=CN=CC=C1 0834AC [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 BrCC1=NC=CC=C1 8088AB [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 CNC1=CC=CC=C1 7883AF [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 NNC1=CC=CC=C1 5128AF [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 CC1=C(Br)C=CN=C1 N224 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 ClC1=CC=CC=C1Cl 9816AF [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 OC1=C(F)C=CN=C1 1350AA [2,0,0,0,0,0|2,0,0]=4 76 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,1,0,0,0,0|1,0,0]=3 77 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [1,1,0,0,0,0|1,0,0]=3 78 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [1,1,0,0,0,0|1,0,0]=3 81 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [1,1,0,0,0,0|2,0,0]=4 82 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [1,1,0,0,0,0|1,0,0]=3 83 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [1,1,0,0,0,0|1,0,0]=3 84 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 0124AA [1,1,0,0,0,0|1,0,1]=4 85 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [1,1,0,0,0,0|2,0,0]=4 87 B10R1.28 CC(C)(C)C1=NC=CC=C1 X6358 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.28 CC(C)(N)C1=NC=CC=C1 9271AH [1,1,0,0,0,0|1,0,0]=3 89 B10R1.28 C[Ge](C)(C)C1=CC=CC=C1 Y1379 [1,1,0,0,0,0|0,1,0]=3 90 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 9417AF [1,1,0,0,0,0|0,1,0]=3 91 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 1114AE [1,1,0,0,0,0|2,0,0]=4 92 B10R1.113 CC1=CC([C@H](C)N)=CC=C1 W3021 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 W7854 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.113 ClC1=CC(C(Br)Br)=CC=C1 6026AL [1,1,0,0,0,0|2,0,0]=4 95 B10R1.2 BrCC1=C(Br)C(I)=CC=C1 5062AA [1,1,0,0,0,0|2,0,0]=4 96 B10R1.2 CC1=C(Cl)C=CC=C1CO Z1056 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.2 CNC1=CC=CC(Br)=C1C 2219AJ [1,1,0,0,0,0|2,0,0]=4 98 B10R1.2 CSC1=C(O)C(F)=CC=C1 Z0334 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.4 CCCC1=C(C)C=CN=C1 Z0694 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.4 CCOC1=C(Br)C=CN=C1 5580AH [1,1,0,0,0,0|2,0,0]=4 101 B10R1.4 CCOC1=CC=CC=C1S I213 [1,1,0,0,0,0|0,1,0]=3 102 B10R1.20 CCC1=C(CC)C=CC=C1 1495AL [1,1,0,0,0,0|1,0,0]=3 103 B10R1.20 COC1=CC=CC=C1NN 6140AD [1,1,0,0,0,0|2,0,0]=4 104 B10R1.20 CSC1=CC=CC=C1C=O I066 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.20 CSC1=CC=CC=C1CN Y9469 [1,1,0,0,0,0|1,1,0]=4 106 B10R1.20 NCC1=C(CN)C=CC=C1 8923AA [1,1,0,0,0,0|2,0,0]=4 107 B10R1.20 SCC1=CC=CC=C1CS 0786AP [1,1,0,0,0,0|1,1,0]=4 108 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 9031AD [1,1,0,0,0,0|2,0,0]=4 109 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.25 COC1=CC=C(N)C=C1N X6229 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.30 CC1=C(CN)C=C(Cl)C=C1 9032AD [1,1,0,0,0,0|2,0,0]=4 112 B10R1.30 CC1=CC=C(C)C(CN)=C1 W9616 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [1,1,0,0,0,0|1,0,0]=3 114 B10R1.30 COC1=CC(N)=CC=C1I X6495 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.30 CSC1=CC(C)=CC=C1Cl Z1327 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.30 CSC1=CC(C)=CC=C1F Z1248 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.30 CSC1=CC(I)=CC=C1Br Y3558 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.245 CCC1=C(Br)C=NC=C1Br 5257AH [1,1,0,0,0,0|2,0,0]=4 119 B10R1.245 CSC1=C(Br)C=CC=C1Br Z0491 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.245 CSC1=C(Cl)C=CC=C1Br Z1315 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.75 COC1=CC=CC=C1CC(C)N Y6066 [0,1,0,0,0,1|1,0,0]=3 122 B12R1.127 CC(C)OC1=C(N)C=CC(Br)=C1 2693AJ [0,1,0,0,0,1|1,0,0]=3 123 B12R1.127 CC1=CC=C(Br)C(CN(C)C)=C1 Z0463 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.151 CC(C)(N)CC1=C(F)C=CC=C1 0106AB [0,1,0,0,0,1|1,0,0]=3 125 B12R1.151 CC(C)(N)CC1=C(F)C=CC=C1 9630AA [0,1,0,0,0,1|1,0,0]=3 126 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 4898AJ [0,1,0,0,0,1|1,0,0]=3 127 B12R1.233 CC(C)OC1=CC=C(F)C=C1F Z0351 [0,1,0,0,0,1|1,0,0]=3 128 B12R1.1009 CC(C)OC1=C(Cl)C=CC=C1Cl Z0703 [0,1,0,0,0,1|1,0,0]=3 129 B12R1.76 COC1=NC=CC=C1[Sn](C)(C)C Y3108 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.77 COC1=CC=CC=C1C(C)CN X3857 [0,2,0,0,0,0|0,0,0]=2 131 B12R1.77 COC1=CC=CC=C1C(N)C#N W9819 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.77 N#CC1=C(C(O)CN)C=CC=C1 6021AC [0,2,0,0,0,0|2,0,0]=4 133 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9994AH [0,2,0,0,0,0|1,0,0]=3 134 B12R1.1010 OC1=CC=CC(O)=C1C(F)(F)F 4748AF [0,2,0,0,0,0|2,0,0]=4 135 B12R1.3441 CC[C@@H](N)C1=C(F)C=CC=C1F 3962AA [0,2,0,0,0,0|2,0,0]=4 136 B12R1.511 CC1=C(N)C(C(C)C)=CC(Br)=C1 Z2826 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.511 CC1=CC(N)=CC(C(C)C)=C1C 6737AC [0,2,0,0,0,0|1,0,0]=3 138 B12R1.893 CC1=C(O)C(O)=C(C(C)C)C=C1 5722AF [0,2,0,0,0,0|0,0,0]=2 139 B12R1.232 CC1=C(N)C=C(C(C)C)C(O)=C1 2226AA [0,2,0,0,0,0|0,0,0]=2 140 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 8257AB [0,2,0,0,0,0|2,0,0]=4 141 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O X6902 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.1703 OC(CCl)C1=C(Cl)C=C(Cl)C=C1 6531AA [0,2,0,0,0,0|2,0,0]=4 143 B12R1.354 C\C(=N\O)C1=CC(O)=CC=C1O X5143 [0,2,0,0,0,0|1,0,1]=4 144 B10R2.7 C1=CC=C2NCNC2=C1 6469AB [1,0,0,1,0,0|2,0,0]=4 145 B12R2.24 CC1CC2=CC=CC=C2CN1 3049AB [0,0,0,1,0,1|2,0,0]=4 146 B12R2.24 CC1CCC2=C(C=CC=C2)N1 U603 [0,0,0,1,0,1|1,0,0]=3 147 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 8695AH [0,0,0,1,0,1|1,0,0]=3 148 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 3339AB [0,0,0,1,0,1|2,0,0]=4 149 B12R2.95 ClC1(Cl)OC2=C(C=CC=C2)O1 6858AD [0,0,0,1,0,1|2,0,0]=4 150 B12R2.225 IC1=CC=CC=C1OC2CC2 Y7298 [0,0,0,1,0,1|1,0,0]=3 151 B12R2.225 NC1=CC=CC=C1OC2CC2 Y7299 [0,0,0,1,0,1|1,0,0]=3 152 B12R2.1081 CC1CNCC2=CC=CC=C21 8754AC [0,1,0,1,0,0|1,0,0]=3 153 B12R2.1081 FC1CNCC2=C1C=CC=C2 Y9380 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.1081 N[C@@H]1CCNC2=C1C=CC=C2 8806AH [0,1,0,1,0,0|2,0,0]=4 155 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 Z5959 [0,1,0,1,0,0|1,0,0]=3 156 B12R2.1081 N[C@H]1CCNC2=CC=CC=C21 9089AH [0,1,0,1,0,0|2,0,0]=4 157 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 4916AL [0,1,0,1,0,0|2,0,0]=4 158 B12R2.2048 COC1=NC=CC=C1C2CC2 Z1430 [0,1,0,1,0,0|1,0,0]=3 159 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3112AJ [0,1,0,1,0,0|2,0,0]=4 160 B12R2.612 C[C@@H]1NCC2=CC(Br)=CC=C21 8404AH [0,1,0,1,0,0|2,0,0]=4 161 B12R2.612 C[C@H]1NCC2=C1C=CC(Br)=C2 8357AH [0,1,0,1,0,0|2,0,0]=4 162 B12R2.1317 CC1=CC(F)=NC=C1C2CC2 Z1558 [0,1,0,1,0,0|2,0,0]=4 163 B12R2.1317 FC1=CC=C(C2CC2)C(F)=C1 Z0171 [0,1,0,1,0,0|1,0,0]=3 164 B12R2.132 NC1CCC2=CC=C(F)C=C21 3539AJ [0,1,0,1,0,0|2,0,0]=4 165 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,1,0,1,0,0|1,0,1]=4 166 B12R2.18 C[C@@H]1C2=C(C=CN=C2)C[C@@H]1O 9459AL [0,1,0,1,0,0|2,0,0]=4 167 B12R2.18 O[C@@H]1CC2=C(C=CC=C2)[C@H]1O Y9791 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.7 CC(O)C1=CC=CS1 2224AC [1,0,0,0,1,0|2,0,0]=4