0 B11R1.40 CNC(C)CC1=NC=CN=C1 3718AF [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 COCOC1=CC=CC=C1 0189AF [1,0,0,0,0,0|2,0,0]=3 7 B10R1.18 C=C(C)CC1=NC=CC=C1 3662AF [1,0,0,0,0,0|1,0,2]=4 8 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [1,0,0,0,0,0|2,0,0]=3 10 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [1,0,0,0,0,0|2,0,1]=4 11 B12R1.32 CN(CC#N)CC1=CC=CC=C1 1817AL [0,1,0,0,0,0|2,0,1]=4 12 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 8279AC [0,1,0,0,0,0|2,0,1]=4 13 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O 7425AC [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 0384AA [0,1,0,0,0,0|2,0,1]=4 15 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 7330AE [0,1,0,0,0,0|3,0,0]=4 16 B12R1.49 CNC(=O)NC1=CC=C(O)C=C1 5000AB [0,1,0,0,0,0|2,0,1]=4 17 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4252AB [0,1,0,0,0,0|3,0,0]=4 18 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 0762AB [0,1,0,0,0,0|3,0,0]=4 19 B12R2.18 CC1=CC2=C(C=CN=C2)N1C 0488AC [0,0,0,1,0,0|1,0,2]=4 20 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [0,0,0,1,0,0|2,0,1]=4 21 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9912AH [0,0,0,1,0,0|1,0,2]=4 22 B12R2.18 NC1CC2=CC=CC=C2C1O 3933AD [0,0,0,1,0,0|3,0,0]=4 23 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N 1058AB [0,0,0,1,0,0|3,0,0]=4 24 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br 9317AA [0,0,0,1,0,0|3,0,0]=4 25 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,0|3,0,0]=4 26 B12R2.24 CN1CCC2=C(C=CC=C2)C1 7528AB [0,0,0,1,0,0|2,0,0]=3 27 B12R2.24 NC1CSC2=C(C=CC=C2)C1 4667AJ [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 9211AH [0,0,0,1,0,0|3,0,0]=4 29 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 8788AB [0,0,0,1,0,0|3,0,0]=4 30 B12R2.27 C#CC1CC1C2=CC=CC=C2 5287AC [0,0,0,1,0,0|1,0,1]=3 31 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [0,0,0,1,0,0|2,0,0]=3 32 B12R2.27 O=CC1CC1C2=CC=NC=C2 W9659 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.32 CNC1CC2=CC=CC=C2C1 8229AD [0,0,0,1,0,0|0,0,0]=1 34 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1347AJ [0,0,0,1,0,0|2,0,0]=3 35 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 2376AJ [0,0,0,1,0,0|3,0,0]=4 36 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [0,0,0,0,1,0|1,0,0]=2 37 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [0,0,0,0,1,0|3,0,0]=4 38 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,0,0,0,1,0|3,0,0]=4 39 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,0,0,0,1,0|3,0,0]=4 40 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [0,0,0,0,1,0|3,0,0]=4 41 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [0,0,0,0,0,1|2,0,0]=3 42 B9R1.8 CNCC1=CC=NC=N1 4986AA [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 CNCC1=CN=CC=C1 7435AH [2,0,0,0,0,0|1,0,0]=3 44 B9R1.8 ClCCC1=CC=NC=C1 2738AB [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 ClCCC1=CN=CC=C1 5261AB [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [2,0,0,0,0,0|2,0,0]=4 47 B9R1.8 NCCC1=CN=CN=C1 3332AC [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 NCCC1=NC=CC=N1 4806AC [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 NCCC1=NC=NC=C1 1885AJ [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 NCCC1=NC=NC=C1 1886AJ [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 NNCC1=CC=CC=N1 4874AC [2,0,0,0,0,0|2,0,0]=4 52 B11R1.1 C=CCCC1=CC=C(Br)C=C1 4835AD [1,1,0,0,0,0|1,0,1]=4 53 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 9629AD [1,1,0,0,0,0|1,0,1]=4 54 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.1 CNCCC1=CC=C(C)C=C1 1463AB [1,1,0,0,0,0|0,0,0]=2 56 B11R1.1 COCOC1=CC=C(C)C=C1 2069AB [1,1,0,0,0,0|2,0,0]=4 57 B11R1.1 NC1=CC=C(CCCO)C=C1 2833AC [1,1,0,0,0,0|2,0,0]=4 58 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [1,1,0,0,0,0|2,0,0]=4 59 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,1,0,0,0,0|1,0,1]=4 60 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [1,1,0,0,0,0|1,0,1]=4 61 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [1,1,0,0,0,0|2,0,0]=4 62 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 C=CCCC1=C(Br)C=CC=C1 8652AE [1,1,0,0,0,0|1,0,1]=4 64 B11R1.17 C=CCCC1=C(Cl)C=CC=C1 9630AD [1,1,0,0,0,0|1,0,1]=4 65 B11R1.17 C=CCCC1=CC=CC=C1F 8653AE [1,1,0,0,0,0|1,0,1]=4 66 B11R1.17 CC1=CC=CC=C1CCC=O 6596AD [1,1,0,0,0,0|2,0,0]=4 67 B11R1.17 CCNCC1=C(O)C=CC=C1 5372AJ [1,1,0,0,0,0|2,0,0]=4 68 B11R1.17 CNCCC1=C(Cl)C=CC=C1 4940AE [1,1,0,0,0,0|0,0,0]=2 69 B11R1.17 CNCCC1=CC=CC=C1C 9270AE [1,1,0,0,0,0|0,0,0]=2 70 B11R1.17 COCOC1=CC=CC=C1Cl Z0465 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.17 N#CCCC1=CC=CC=C1Cl 1363AC [1,1,0,0,0,0|2,0,0]=4 72 B11R1.17 NCCCC1=C(Br)C=CC=C1 5612AJ [1,1,0,0,0,0|2,0,0]=4 73 B11R1.17 NCCCC1=CC=CC=C1Cl 6271AD [1,1,0,0,0,0|2,0,0]=4 74 B11R1.17 O=CCCC1=CC=CC=C1Cl 7894AA [1,1,0,0,0,0|2,0,0]=4 75 B11R1.24 CC1=CC(CCC=O)=CC=C1 4286AF [1,1,0,0,0,0|2,0,0]=4 76 B11R1.24 CNCCC1=CC(Br)=CC=C1 9730AE [1,1,0,0,0,0|0,0,0]=2 77 B11R1.24 N#CCCC1=CC(F)=CC=C1 2070AB [1,1,0,0,0,0|2,0,0]=4 78 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1006AB [1,1,0,0,0,0|2,0,0]=4 79 B11R1.28 CC#CCNC1=CC=CC=C1 0461AD [1,1,0,0,0,0|1,0,1]=4 80 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [1,1,0,0,0,0|1,0,0]=3 81 B11R1.28 CNCCCC1=CC=NC=C1 4337AJ [1,1,0,0,0,0|1,0,0]=3 82 B11R1.28 ClCCCCC1=CC=NC=C1 7442AB [1,1,0,0,0,0|2,0,0]=4 83 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [1,1,0,0,0,0|2,0,0]=4 84 B11R1.20 CC(N)CC1=CC=C(O)C=C1 2498AL [1,1,0,0,0,0|0,0,0]=2 85 B11R1.20 CC1=CC=C(NC(C)C)C=C1 7984AC [1,1,0,0,0,0|1,0,0]=3 86 B11R1.36 CC(C)C(C)C1=CC=CC=C1 3972AL [1,1,0,0,0,0|0,0,0]=2 87 B11R1.36 CC(C)[C@@H](N)C1=NC=CC=C1 8355AH [1,1,0,0,0,0|1,0,0]=3 88 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [1,1,0,0,0,0|0,0,0]=2 89 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 8402AH [1,1,0,0,0,0|1,0,0]=3 90 B11R1.36 CC(C1=CC=CC=C1)C(F)F 8474AB [1,1,0,0,0,0|2,0,0]=4 91 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [1,1,0,0,0,0|1,0,1]=4 92 B11R1.86 CC(C)CC1=CC=CC=C1O 5740AB [1,1,0,0,0,0|0,0,0]=2 93 B11R1.86 CC(C)OC1=NC=CC=C1Cl Z0472 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [1,1,0,0,0,0|2,0,0]=4 95 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 9812AA [1,1,0,0,0,0|1,0,1]=4 96 B11R1.157 CC(C)OC1=CC=CC(Cl)=N1 Z1032 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.157 CN(C)CC1=CC(S)=CC=C1 3501AD [1,1,0,0,0,0|1,0,0]=3 98 B11R1.157 CN(C)CC1=CN=CC(Br)=C1 Z1067 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 4465AB [1,1,0,0,0,0|1,0,0]=3 100 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Y6483 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.7 CCC(F)(F)C1=CC=CC=C1 9060AE [0,1,0,0,1,0|2,0,0]=4 102 B11R1.12 C=CC(OC)C1=CC=CC=C1 1389AB [0,1,0,0,1,0|1,0,1]=4 103 B11R1.12 CCC(CC)C1=CC=CC=C1 3981AL [0,1,0,0,1,0|1,0,0]=3 104 B11R1.12 CCP(CC)C1=CC=CC=C1 8571AJ [0,1,0,0,1,0|2,0,0]=4 105 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,1,0,0,1,0|0,0,0]=2 106 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 1725AC [0,1,0,0,1,0|2,0,0]=4 107 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,1,0,0,1,0|2,0,0]=4 108 B11R1.23 CC[C@@H](N)C1=CC=CC(Cl)=C1 X9178 [0,1,0,0,1,0|2,0,0]=4 109 B11R1.222 CC[C@@H](N)C1=CC=CC=C1Cl 3808AA [0,1,0,0,1,0|2,0,0]=4 110 B11R1.222 CNC(=O)C1=CC=CC=C1S 0033AP [0,1,0,0,1,0|1,0,1]=4 111 B11R1.84 COC(CN1C=CC=C1)OC 5773AC [0,1,0,0,1,0|2,0,0]=4 112 B13R1.42 COCC(O)CNC1=CC=CC=C1 8148AD [0,1,0,0,0,1|2,0,0]=4 113 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 8293AH [0,1,0,0,0,1|2,0,0]=4 114 B13R1.417 NC[C@@H](CO)NCC1=CC=CC=C1 4421AH [0,1,0,0,0,1|2,0,0]=4 115 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 4902AL [0,2,0,0,0,0|1,0,0]=3 116 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 4914AD [0,2,0,0,0,0|2,0,0]=4 117 B13R1.263 CC(C)(CO)[C@H](N)C1=CC=CC=C1 0345AF [0,2,0,0,0,0|2,0,0]=4 118 B13R1.263 CCC(C)(C)C(=O)C1=CC=CC=C1 0243AF [0,2,0,0,0,0|1,0,1]=4 119 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 6479AC [0,2,0,0,0,0|2,0,0]=4 120 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 0334AA [0,2,0,0,0,0|2,0,0]=4 121 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 5874AA [0,2,0,0,0,0|2,0,0]=4 122 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 1202AL [0,2,0,0,0,0|2,0,0]=4 123 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 L640 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.146 CCN(CC)CC1=CC=CC(Br)=C1 Z0469 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.91 CNC(C)CC1=CC=CC=C1OC 0320AQ [0,2,0,0,0,0|0,0,0]=2 126 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [1,0,0,1,0,0|2,0,0]=4 127 B11R2.20 C1=CC2=C(C=C1)CNCC2 1479AL [1,0,0,1,0,0|0,0,0]=2 128 B11R2.20 C1=CC2=C(C=N1)CNCC2 1745AA [1,0,0,1,0,0|1,0,0]=3 129 B11R2.239 C1=CC=C(C2CNC2)C=C1 2383AJ [1,0,0,1,0,0|0,0,0]=2 130 B11R2.239 C1=CC=C(C2CNC2)C=C1 6027AB [1,0,0,1,0,0|0,0,0]=2 131 B11R2.239 C1=CC=C(C2COC2)C=C1 0754AA [1,0,0,1,0,0|1,0,0]=3 132 B11R2.988 N#CC1CC2=C1C=CC=C2 8027AE [1,0,0,1,0,0|2,0,0]=4 133 B11R2.988 O=CC1CC2=CC=CC=C21 9778AE [1,0,0,1,0,0|2,0,0]=4 134 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 1224AL [0,0,0,1,0,1|1,0,1]=4 135 B13R2.33 NC1CCC2=CC=CC=C2CC1 3368AJ [0,0,0,1,0,1|2,0,0]=4 136 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 8488AA [0,0,0,1,0,1|0,0,0]=2 137 B13R2.57 NCC1CC2=C(C=CC=C2)CN1 9570AH [0,0,0,1,0,1|2,0,0]=4 138 B13R2.57 OCC1COC2=C(C=CC=C2)C1 Y4036 [0,0,0,1,0,1|2,0,0]=4 139 B13R2.15 CC1CCNC1C2=CC=CC=C2 7421AB [0,1,0,1,0,0|1,0,0]=3 140 B13R2.25 O=C=NC1CC1C2=CC=CC=C2 X4806 [0,1,0,1,0,0|0,0,2]=4 141 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 2369AL [0,1,0,1,0,0|1,0,1]=4 142 B13R2.31 O=C1CC(SC2=CC=CC=C2)N1 2561AL [0,1,0,1,0,0|1,0,1]=4 143 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 4181AA [0,1,0,1,0,0|2,0,0]=4 144 B13R2.64 C1=CN=CC(CC2CCCN2)=C1 5389AH [0,1,0,1,0,0|1,0,0]=3 145 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 0130AD [0,1,0,1,0,0|2,0,0]=4 146 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 2042AJ [0,1,0,1,0,0|2,0,0]=4 147 B13R2.45 CN1C2=CC=CC=C2N=C1CN Y8152 [0,1,0,1,0,0|1,0,1]=4 148 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 4214AB [0,1,0,1,0,0|2,0,0]=4 149 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 0858AE [0,1,0,1,0,0|1,0,0]=3 150 B13R2.1069 BrC1=CC=C(CN2CCC2)C=C1 4954AJ [0,1,0,1,0,0|2,0,0]=4 151 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 0071AF [0,1,0,1,0,0|1,0,1]=4 152 B13R2.3683 CC1CC2=CC=C(Br)C=C2CN1 3674AJ [0,1,0,1,0,0|0,0,0]=2 153 B13R2.3683 CN1CCC2=CC(Br)=CC=C2C1 3449AJ [0,1,0,1,0,0|2,0,0]=4 154 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 8535AA [0,1,0,1,0,0|2,0,0]=4 155 B13R2.3683 OC1CCC2=C(C=CC(F)=C2)C1 3532AJ [0,1,0,1,0,0|2,0,0]=4 156 B13R2.155 NC1=CC2=C(C=C1)CCC(N)C2 9582AH [0,1,0,1,0,0|2,0,0]=4 157 B13R2.222 CC1(C)CC2=CC=CC=C2CN1 2794AB [0,1,0,1,0,0|0,0,0]=2 158 B13R2.217 OC1(CC2=C(Cl)C=CC=C2)CC1 5029AJ [0,1,0,1,0,0|2,0,0]=4 159 B13R2.4825 CC1=CC2=C(C=CC=C2Br)N1C 2673AJ [0,1,0,1,0,0|0,0,2]=4 160 B9R1.12 CCCCC1C=CC=C1 5026AC [1,0,0,0,1,0|1,0,1]=4 161 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.6 CC(N)C1=CN=NC=C1 0280AA [1,0,0,0,1,0|2,0,0]=4 163 B9R1.6 CC(N)C1=NC=CC=N1 6203AC [1,0,0,0,1,0|2,0,0]=4 164 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [1,0,0,0,1,0|2,0,0]=4 165 B9R1.13 CC(C)CC1=NC=CN1 6734AE [1,0,0,0,1,0|2,0,0]=4 166 B9R1.13 CC(C)CN1C=CC=C1 7103AD [1,0,0,0,1,0|1,0,0]=3 167 B9R1.13 CC(N)CC1=NNC=C1 1362AL [1,0,0,0,1,0|2,0,0]=4 168 B9R1.11 CNC(C)C1=CC=CO1 0219AD [0,0,0,0,2,0|1,0,0]=3 169 B13R1.718 CC(C=O)COCC1=CC=CC=C1 0090AQ [0,0,0,0,0,2|2,0,0]=4 170 B13R1.718 CC(CO)CNCC1=CC=CC=C1 0887AF [0,0,0,0,0,2|2,0,0]=4