0 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 0693AP [0,0,0,0,0,0|3,0,0]=3 1 B11R1.24 CCNCC1=NC(Cl)=NC=C1 Z3310 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.24 CCOCC1=CN=CC(Br)=C1 Z0807 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.24 OCCOC1=CC(O)=CC=C1 7909AF [0,0,0,0,0,0|4,0,0]=4 4 B11R1.24 S=C=NCC1=CC(Cl)=CC=C1 1782AE [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 CC1=CC(CCN)=CC=C1 1118AJ [1,0,0,0,0,0|1,0,0]=2 6 B10R1.10 CC1=CC(CCN)=CC=C1 W6970 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.10 CCOC1=CC(C)=CN=C1 Y3973 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.10 N#CCC1=CC(Br)=CC=C1 D570 [1,0,0,0,0,0|0,1,2]=4 9 B10R1.10 NCCC1=CC(O)=CC=C1 1935AJ [1,0,0,0,0,0|1,0,0]=2 10 B10R1.10 NCCC1=NC(Cl)=CC=C1 4992AA [1,0,0,0,0,0|1,0,0]=2 11 B10R1.10 NNCC1=CC=CC(Br)=C1 2389AL [1,0,0,0,0,0|1,1,0]=3 12 B10R1.17 CCCCC1=NC=CN=C1 2999AB [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,0,0,0,0,0|1,0,2]=4 14 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 NNCCC1=CC=CC=C1 5405AE [1,0,0,0,0,0|1,0,0]=2 16 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 5553AC [0,1,0,0,0,0|0,1,1]=3 17 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 4658AA [0,1,0,0,0,0|1,0,1]=3 18 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 Y1218 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.28 CCNCCC1=CC(Cl)=CC=C1 1098AJ [0,1,0,0,0,0|0,0,0]=1 20 B12R1.50 CN[C@@H](C)CC1=CC=CC(O)=C1 9146AH [0,1,0,0,0,0|1,0,0]=2 21 B12R1.100 N#CCOC1=CC(Cl)=CC(Cl)=C1 7739AC [0,1,0,0,0,0|3,0,0]=4 22 B12R1.226 O=[N+]([O-])CCC1=CC(F)=CC=C1 Y5848 [0,1,0,0,0,0|1,1,1]=4 23 B12R1.382 CCCNC1=CC(OC)=CC=C1 9832AD [0,1,0,0,0,0|3,0,0]=4 24 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 P433 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 2923AJ [0,1,0,0,0,0|3,0,0]=4 26 B12R1.385 CNCCC1=CC(Cl)=C(Cl)C=C1 9282AH [0,1,0,0,0,0|0,0,0]=1 27 B12R1.385 O=C=NCC1=CC=C(Cl)C(Cl)=C1 U893 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.24 BrC1=CC=C2COCOC2=C1 Y9229 [0,0,0,1,0,0|2,1,0]=4 29 B12R2.24 CC1=CC2=C(C=C1)CCCC2 8578AA [0,0,0,1,0,0|2,0,0]=3 30 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3112AJ [0,0,0,1,0,0|2,1,0]=4 31 B12R2.612 CN1N=CC2=C1C=CC(Cl)=C2 Y5772 [0,0,0,1,0,0|1,0,1]=3 32 B12R2.612 C[C@@H]1NCC2=CC(Br)=CC=C21 8404AH [0,0,0,1,0,0|2,1,0]=4 33 B12R2.612 C[C@H]1NCC2=C1C=CC(Br)=C2 8357AH [0,0,0,1,0,0|2,1,0]=4 34 B12R2.1081 ClC1=NC=NC2=C1CNCC2 6192AC [0,0,0,1,0,0|2,0,0]=3 35 B12R2.1081 NC1=CC=CC2=C1NCCC2 3750AJ [0,0,0,1,0,0|3,0,0]=4 36 B9R1.2 CC1=CC(NN)=CC=C1 7665AB [2,0,0,0,0,0|2,0,0]=4 37 B9R1.2 CCC1=CC=C[N+]([O-])=C1 7429AA [2,0,0,0,0,0|2,0,0]=4 38 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [2,0,0,0,0,0|1,1,0]=4 39 B9R1.2 N#[N+]C1=CC(Cl)=CC=C1 T256 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.2 NCC1=CC(=O)NC=C1 5769AA [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 CCCC1=CN=CC=C1 6392AB [2,0,0,0,0,0|1,0,0]=3 42 B11R1.23 CC1=CC(C(O)CN)=CC=C1 0300AA [1,1,0,0,0,0|1,0,0]=3 43 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [1,1,0,0,0,0|0,1,1]=4 44 B11R1.23 NCC(O)C1=CC=CC(F)=C1 3119AC [1,1,0,0,0,0|0,1,0]=3 45 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 2970AH [1,1,0,0,0,0|0,0,0]=2 46 B11R1.23 NC[C@H](O)C1=CC(Cl)=CC=C1 3951AA [1,1,0,0,0,0|0,0,0]=2 47 B11R1.34 OCCC1=CC(F)=CC(F)=C1 X7945 [1,1,0,0,0,0|1,1,0]=4 48 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Z0352 [1,1,0,0,0,0|1,1,0]=4 49 B11R1.157 CC(N)CC1=CC(O)=CC=C1 1936AJ [1,1,0,0,0,0|1,0,0]=3 50 B11R1.157 C[C@@H](N)CC1=CC=CC(O)=C1 1908AJ [1,1,0,0,0,0|1,0,0]=3 51 B11R1.157 NC(=S)NC1=CC=CC(Cl)=C1 X5300 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.182 NCCC1=C(Br)C=CC(O)=C1 1933AJ [1,1,0,0,0,0|1,0,0]=3 53 B11R1.189 CSC1=CC(CCN)=CC=C1 Y7193 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.192 CCNC1=CC(F)=C(C)C=C1 3960AE [1,1,0,0,0,0|1,1,0]=4 55 B11R1.192 COCC1=CC=C(Br)C(C)=C1 Z0252 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.192 COCC1=CC=C(Cl)C(Br)=C1 Y3635 [1,1,0,0,0,0|1,1,0]=4 57 B11R1.1 CCCOC1=CC=C(N)C=C1 2814AL [1,1,0,0,0,0|2,0,0]=4 58 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,1,0,0,0,0|0,0,1]=3 59 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,1,0,0,0,0|0,0,1]=3 60 B11R1.28 C#CCNCC1=CC=CC=C1 0757AD [1,1,0,0,0,0|1,0,1]=4 61 B11R1.28 NOCCOC1=CC=CC=C1 5219AE [1,1,0,0,0,0|2,0,0]=4 62 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [1,1,0,0,0,0|1,0,0]=3 64 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 O387 [0,2,0,0,0,0|1,0,0]=3 65 B13R1.466 CNC[C@@H](O)C1=CC(O)=C(O)C=C1 X3518 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.15 CCC(C)NCC1=CC=CC(Cl)=C1 Z8807 [0,2,0,0,0,0|1,0,0]=3 67 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O 6300AB [0,2,0,0,0,0|2,0,0]=4 68 B11R2.35 ClC1=CC([C@H]2CO2)=CC=C1 N778 [1,0,0,1,0,0|1,0,0]=3 69 B11R2.35 FC1=CC(C2CC2)=CN=C1 Z1436 [1,0,0,1,0,0|1,1,0]=4 70 B11R2.106 ClC1=NC=NC2=C1CCC2 W1351 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.106 IC1=C2OCCC2=CC=C1 Y8502 [1,0,0,1,0,0|1,1,0]=4 72 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [1,0,0,1,0,0|2,0,0]=4 73 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 4694AJ [1,0,0,1,0,0|2,0,0]=4 75 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8372AH [1,0,0,1,0,0|2,0,0]=4 76 B11R2.238 C1=CC=C(CC2CN2)C=C1 6723AA [1,0,0,1,0,0|0,0,0]=2 77 B13R2.13 BrC1=CC(C2CCCN2)=CC=C1 4942AB [0,1,0,1,0,0|1,1,0]=4 78 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CN=C1 2931AJ [0,1,0,1,0,0|2,0,0]=4 79 B13R2.162 CN1CCC2=C(C1)C(Br)=CC=C2 3762AJ [0,1,0,1,0,0|0,1,0]=3 80 B13R2.162 O=C1CCC2=C(C1)C(Br)=CC=C2 9921AC [0,1,0,1,0,0|1,1,0]=4 81 B13R2.162 OC1CCCC2=CC=C(Br)C=C21 3657AJ [0,1,0,1,0,0|1,1,0]=4 82 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CCC1 1409AL [0,1,0,1,0,0|1,0,0]=3 83 B13R2.662 NCC1CCC2=CC(Cl)=CC=C21 8831AH [0,1,0,1,0,0|1,0,0]=3 84 B13R2.43 CNC1CC2=CC=C(F)C=C2C1 3257AA [0,1,0,1,0,0|0,1,0]=3 85 B13R2.155 NC1=CC2=C(C=C1)CCC(N)C2 9581AH [0,1,0,1,0,0|2,0,0]=4 86 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 1540AJ [0,1,0,1,0,0|1,0,0]=3 87 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 3649AJ [0,1,0,1,0,0|2,0,0]=4 88 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 6075AC [0,1,0,1,0,0|2,0,0]=4 89 B13R2.155 N[C@@H]1CCC2=C(C=C(O)C=C2)C1 W8836 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 W8835 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 9199AH [0,1,0,1,0,0|2,0,0]=4 92 B13R2.5190 CC1=NC2=C(C=CC(Cl)=C2)N1C 2471AB [0,1,0,1,0,0|1,0,1]=4 93 B13R2.328 CC1=NC(Cl)=C2CNCCC2=N1 2763AJ [0,1,0,1,0,0|2,0,0]=4 94 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 9017AB [0,1,0,1,0,0|1,0,0]=3 95 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 3533AJ [0,1,0,1,0,0|1,1,0]=4 96 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 5988AH [0,1,0,1,0,0|1,1,0]=4 97 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 9196AH [0,1,0,1,0,0|1,1,0]=4 98 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 9197AH [0,1,0,1,0,0|1,1,0]=4 99 B13R2.175 ClC1=CC=C(I)C(OC2CC2)=C1 Y7300 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.7 NCCC1=CC=C(Br)S1 4915AB [1,0,0,0,1,0|1,1,0]=4 101 B9R1.7 NCCC1=CC=C(Cl)S1 1212AJ [1,0,0,0,1,0|1,0,0]=3