0 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [0,0,0,0,0,0|1,0,1]=2 2 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,0,0,0,0,0|1,0,0]=1 3 B11R1.40 COC(=O)CC1=CC=CN=C1 X5277 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 NNC(=O)NC1=CC=CC=C1 5322AE [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 6479AD [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 C#CCOC1=CC=CC=C1 3952AD [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 C=COCC1=CC=CC=C1 1335AL [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 CCOCC1=CC=CC=C1 S562 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 CNCCC1=CC=NC=C1 5553AE [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 COCSC1=CC=CC=C1 8208AL [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 NCCCC1=CC=CN=C1 X2118 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 NCCCC1=CC=NC=C1 3209AB [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 NNCCC1=CC=CC=C1 4752AE [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 OCCNC1=CC=CC=C1 V7623 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [1,0,0,0,0,0|2,0,1]=4 21 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [1,0,0,0,0,0|2,0,1]=4 22 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [1,0,0,0,0,0|1,0,0]=2 23 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 4299AL [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 NC(=O)OC1=CC=CC=C1 7861AF [1,0,0,0,0,0|2,0,1]=4 28 B12R1.32 C#CCN(C)CC1=CC=CC=C1 V1637 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.32 CCCC(=O)CC1=CC=CC=C1 U242 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,1,0,0,0,0|2,0,0]=3 31 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 1832AB [0,1,0,0,0,0|2,0,1]=4 32 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 2922AC [0,1,0,0,0,0|2,0,1]=4 33 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [0,1,0,0,0,0|2,0,0]=3 34 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 6370AD [0,1,0,0,0,0|1,0,1]=3 35 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 1968AL [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 8476AC [0,1,0,0,0,0|3,0,0]=4 37 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 9207AA [0,1,0,0,0,0|3,0,0]=4 38 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 3569AL [0,1,0,0,0,0|2,0,1]=4 39 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 X5344 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 6147AJ [0,1,0,0,0,0|3,0,0]=4 41 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 W5702 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 5559AB [0,1,0,0,0,0|3,0,0]=4 43 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,1,0,0,0,0|3,0,0]=4 44 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 7522AB [0,1,0,0,0,0|2,0,1]=4 45 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 W3284 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 Z4831 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 3046AC [0,1,0,0,0,0|0,0,0]=1 48 B12R1.118 N#CC(CO)CC1=CC=CC=C1 5460AJ [0,1,0,0,0,0|2,0,0]=3 49 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 5701AL [0,1,0,0,0,0|1,0,0]=2 50 B12R1.371 CC(CN)OC1=C(Cl)C=CC=C1 2001AF [0,1,0,0,0,0|3,0,0]=4 51 B12R1.371 CNC(C)CC1=NC=CC=C1C 3717AF [0,1,0,0,0,0|1,0,0]=2 52 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,1,0,0,0,0|2,0,1]=4 53 B12R1.371 COC(=O)CC1=CC=CC=C1N W5714 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.18 CC1=NC2=CC=CC=C2N1C V4924 [0,0,0,1,0,0|1,0,1]=3 55 B12R2.18 CC1CC2=C(C=CC=C2)C1=O 9059AA [0,0,0,1,0,0|2,0,0]=3 56 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [0,0,0,1,0,0|2,0,0]=3 57 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 1660AL [0,0,0,1,0,0|1,0,1]=3 58 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9916AH [0,0,0,1,0,0|1,0,2]=4 59 B12R2.18 CN1C(O)=CC2=CC=CC=C21 2768AF [0,0,0,1,0,0|1,0,2]=4 60 B12R2.18 CN1C2=CC=CC=C2N=C1Cl V3951 [0,0,0,1,0,0|2,0,1]=4 61 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,0,0,1,0,0|3,0,0]=4 62 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 9149AE [0,0,0,1,0,0|3,0,0]=4 63 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O 4008AL [0,0,0,1,0,0|3,0,0]=4 64 B12R2.18 OC1C2=C(C=CC=C2)CC1Br 7739AB [0,0,0,1,0,0|3,0,0]=4 65 B12R2.18 OC1CC2=C(C=CC=C2)C1O 4451AL [0,0,0,1,0,0|3,0,0]=4 66 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [0,0,0,1,0,0|3,0,0]=4 67 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,0|3,0,0]=4 68 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,0,0,1,0,0|3,0,0]=4 69 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,0,0,1,0,0|3,0,0]=4 70 B12R2.32 CNC1=NC2=CC=CC=C2N1 Z4283 [0,0,0,1,0,0|2,0,1]=4 71 B12R2.32 OCC1CC2=CC=CC=C2O1 W7718 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 L283 [0,0,0,1,0,0|1,0,2]=4 73 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 9499AD [0,0,0,1,0,0|3,0,0]=4 74 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,0,0,0,1,0|1,0,2]=4 75 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [0,0,0,0,1,0|2,0,0]=3 76 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [0,0,0,0,1,0|2,0,0]=3 77 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [0,0,0,0,1,0|3,0,0]=4 78 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,0,0,0,1,0|3,0,0]=4 79 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [0,0,0,0,1,0|3,0,0]=4 80 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [0,0,0,0,1,0|2,0,0]=3 81 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,0,0,0,1,0|3,0,0]=4 82 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [0,0,0,0,1,0|3,0,0]=4 83 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,0,0,0,1,0|2,0,0]=3 84 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [0,0,0,0,1,0|0,0,0]=1 85 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [0,0,0,0,1,0|1,0,0]=2 86 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [0,0,0,0,1,0|1,0,0]=2 87 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [0,0,0,0,1,0|1,0,0]=2 88 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [0,0,0,0,1,0|3,0,0]=4 89 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [0,0,0,0,1,0|2,0,0]=3 90 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,0,0,0,1,0|3,0,0]=4 91 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [0,0,0,0,1,0|3,0,0]=4 92 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7120AL [0,0,0,0,1,0|2,0,1]=4 93 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7846AF [0,0,0,0,1,0|2,0,1]=4 94 B12R1.27 NCC(O)COC1=CC=CC=C1 3219AE [0,0,0,0,0,1|3,0,0]=4 95 B12R1.27 NCC(O)COC1=CC=CC=C1 Z2335 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.8 BrCCC1=NC=CC=C1 W8132 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.8 BrCC[N+]1=CC=CC=C1 V0516 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.8 CC#CC1=CC=CC=C1 4952AL [2,0,0,0,0,0|0,0,2]=4 99 B9R1.8 CCCC1=NC=CC=C1 C946 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.8 CCCC1=NC=CN=C1 6087AD [2,0,0,0,0,0|2,0,0]=4 101 B9R1.8 CCNC1=CC=CC=N1 5047AL [2,0,0,0,0,0|2,0,0]=4 102 B9R1.8 CNCC1=CN=CC=C1 7435AH [2,0,0,0,0,0|1,0,0]=3 103 B9R1.8 COCC1=CC=CN=C1 5231AH [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 COCC1=CC=NC=C1 5493AH [2,0,0,0,0,0|2,0,0]=4 105 B9R1.8 COCC1=NC=CC=C1 V2195 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.8 CSCC1=CC=CC=C1 7914AF [2,0,0,0,0,0|1,0,0]=3 107 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [2,0,0,0,0,0|0,0,2]=4 108 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [2,0,0,0,0,0|0,0,2]=4 109 B9R1.8 ClCCC1=NC=CC=C1 W3687 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 ICCC1=CC=CC=C1 4037AL [2,0,0,0,0,0|1,0,0]=3 111 B9R1.8 NCCC1=CC=CC=C1 5784AL [2,0,0,0,0,0|0,0,0]=2 112 B9R1.8 NCCC1=CC=CN=C1 9756AD [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 NCCC1=CC=CN=C1 W8702 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.8 NCCC1=CC=NC=C1 W7604 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 NNCC1=CC=NC=C1 2364AF [2,0,0,0,0,0|2,0,0]=4 116 B9R1.8 N\N=C\C1=CC=CC=C1 7871AF [2,0,0,0,0,0|1,0,1]=4 117 B9R1.8 OCCC1=CC=CC=C1 V0900 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 OCCC1=CC=CN=C1 Y9667 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 OCCC1=CC=NC=C1 6680AL [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 ONCC1=CC=CC=C1 9353AB [2,0,0,0,0,0|1,0,0]=3 121 B11R1.1 C=CCCC1=CC=C(F)C=C1 7681AD [1,1,0,0,0,0|1,0,1]=4 122 B11R1.1 CCCCC1=CC=C(Cl)C=C1 4800AL [1,1,0,0,0,0|1,0,0]=3 123 B11R1.1 CCCOC1=CC=C(Br)C=C1 Z0571 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7274AJ [1,1,0,0,0,0|2,0,0]=4 125 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7613AC [1,1,0,0,0,0|2,0,0]=4 126 B11R1.1 CNCCC1=CC=C(Cl)C=C1 2068AE [1,1,0,0,0,0|0,0,0]=2 127 B11R1.1 CNCCC1=CC=C(O)C=C1 R512 [1,1,0,0,0,0|0,0,0]=2 128 B11R1.1 ClC1=CC=C(CCCBr)C=C1 V7097 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 7334AE [1,1,0,0,0,0|2,0,0]=4 130 B11R1.1 N#CCCC1=CC=C(Br)C=C1 8533AB [1,1,0,0,0,0|2,0,0]=4 131 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 0196AE [1,1,0,0,0,0|2,0,0]=4 132 B11R1.1 N(CC)CC1=CC=C(F)C=C1 7275AJ [1,1,0,0,0,0|2,0,0]=4 133 B11R1.1 O=CCCC1=CC=C(Br)C=C1 2565AC [1,1,0,0,0,0|2,0,0]=4 134 B11R1.1 O=CCCC1=CC=C(F)C=C1 W7539 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.1 OCCCC1=CC=C(O)C=C1 W2096 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,1,0,0,0,0|1,0,1]=4 137 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [1,1,0,0,0,0|1,0,0]=3 138 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [1,1,0,0,0,0|0,0,0]=2 139 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [1,1,0,0,0,0|1,0,1]=4 140 B11R1.16 N#CCC(O)C1=CC=CC=C1 5339AH [1,1,0,0,0,0|2,0,0]=4 141 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [1,1,0,0,0,0|2,0,0]=4 142 B11R1.17 CCCNC1=C(Cl)C=CC=C1 8047AB [1,1,0,0,0,0|2,0,0]=4 143 B11R1.17 CCCOC1=CC=CC=C1F V4197 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.17 CCCOC1=CC=CC=C1O 9496AB [1,1,0,0,0,0|2,0,0]=4 145 B11R1.17 O=CCCC1=CC=CC=C1F W3826 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.24 CCCOC1=CC(Br)=CC=C1 Z0201 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.24 CCCOC1=CC(C)=CC=C1 V5255 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.24 CCNCC1=CC(O)=CC=C1 5753AJ [1,1,0,0,0,0|2,0,0]=4 150 B11R1.24 CCNCC1=CC=CC(Br)=C1 7269AJ [1,1,0,0,0,0|2,0,0]=4 151 B11R1.24 CCNCC1=CC=CC(F)=C1 V8908 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.24 CCOCC1=CC(Cl)=CC=C1 V7289 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.24 COCOC1=CC=CC(F)=C1 5292AA [1,1,0,0,0,0|2,0,0]=4 154 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [1,1,0,0,0,0|2,0,0]=4 155 B11R1.24 OCCCC1=CC=CC(Br)=C1 V7142 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.28 C=CCNCC1=CC=CC=C1 3700AL [1,1,0,0,0,0|1,0,1]=4 157 B11R1.28 C=CCOCC1=CC=CC=C1 3133AL [1,1,0,0,0,0|1,0,1]=4 158 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [1,1,0,0,0,0|1,0,1]=4 159 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [1,1,0,0,0,0|2,0,0]=4 160 B11R1.28 CCCCCC1=NC=CC=C1 S154 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [1,1,0,0,0,0|0,0,0]=2 162 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [1,1,0,0,0,0|1,0,0]=3 163 B11R1.28 ClCCCCC1=CC=NC=C1 7448AA [1,1,0,0,0,0|2,0,0]=4 164 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [1,1,0,0,0,0|1,0,0]=3 165 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [1,1,0,0,0,0|1,0,1]=4 166 B11R1.28 O=CNCCC1=CC=CC=C1 1248AQ [1,1,0,0,0,0|0,0,1]=3 167 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [1,1,0,0,0,0|2,0,0]=4 168 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [1,1,0,0,0,0|2,0,0]=4 169 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [1,1,0,0,0,0|2,0,0]=4 170 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [1,1,0,0,0,0|1,0,0]=3 171 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 9287AB [1,1,0,0,0,0|1,0,1]=4 172 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [1,1,0,0,0,0|1,0,1]=4 173 B11R1.20 CC(=O)CC1=CC=C(I)C=C1 1094AB [1,1,0,0,0,0|1,0,1]=4 174 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 Q226 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 V4230 [1,1,0,0,0,0|0,0,0]=2 176 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [1,1,0,0,0,0|0,0,0]=2 177 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 Z8271 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Z0788 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.20 CC(C)OC1=CC=C(N)C=C1 V4472 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.20 CC(C)OC1=CC=C(O)C=C1 Y9996 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Y6445 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 1638AC [1,1,0,0,0,0|1,0,1]=4 183 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 Y6115 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 V3810 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 V6832 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [1,1,0,0,0,0|1,0,0]=3 189 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [1,1,0,0,0,0|1,0,0]=3 190 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [1,1,0,0,0,0|0,0,0]=2 191 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [1,1,0,0,0,0|0,0,0]=2 192 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [1,1,0,0,0,0|0,0,0]=2 193 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 5584AL [1,1,0,0,0,0|1,0,1]=4 194 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [1,1,0,0,0,0|1,0,0]=3 195 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [1,1,0,0,0,0|1,0,1]=4 196 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [1,1,0,0,0,0|1,0,1]=4 197 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [1,1,0,0,0,0|1,0,1]=4 198 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 9403AJ [1,1,0,0,0,0|1,0,1]=4 199 B11R1.86 CC(C)NC1=NC=CC=C1N 8159AD [1,1,0,0,0,0|2,0,0]=4 200 B11R1.86 CC(C)OC1=C(I)C=CC=N1 9447AE [1,1,0,0,0,0|2,0,0]=4 201 B11R1.86 CC(C)OC1=CC=CC=C1F Y3731 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.86 CC(C)OC1=CC=CC=C1N W5162 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.86 CC(C)SC1=CC=CC=C1N V7063 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.86 CC1=CC=CC=C1OC(C)C V5254 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [1,1,0,0,0,0|1,0,0]=3 206 B11R1.86 NC(=O)CC1=CC=CC=C1Br V7162 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.86 NC(=O)CC1=CC=CC=C1Cl 5189AJ [1,1,0,0,0,0|1,0,1]=4 208 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 8966AA [1,1,0,0,0,0|1,0,1]=4 209 B11R1.157 CC(C)NC1=NC=CC(Br)=C1 Z8259 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.157 CC1=CC=CC(OC(C)C)=C1 V4050 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 W7149 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.509 CC(C)(C)CC1=CC=CC=C1 0255AA [1,1,0,0,0,0|0,0,0]=2 213 B11R1.509 FC(F)(F)CC1=CC=CC=C1 7211AD [1,1,0,0,0,0|2,0,0]=4 214 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 X7093 [0,1,0,0,1,0|1,0,1]=4 215 B11R1.7 CC(C)(CO)C1=CC=CC=C1 1041AB [0,1,0,0,1,0|2,0,0]=4 216 B11R1.7 CCC(C)(C)C1=CC=CC=C1 0523AB [0,1,0,0,1,0|1,0,0]=3 217 B11R1.12 CCC(CC)C1=CC=NC=C1 6200AL [0,1,0,0,1,0|2,0,0]=4 218 B11R1.12 CCN(CC)C1=CC=CC=C1 5729AF [0,1,0,0,1,0|2,0,0]=4 219 B11R1.12 CCN(CC)C1=CC=CC=C1 8878AJ [0,1,0,0,1,0|2,0,0]=4 220 B11R1.12 CCP(CC)C1=CC=CC=C1 8571AJ [0,1,0,0,1,0|2,0,0]=4 221 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,1,0,0,1,0|1,0,0]=3 222 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 5818AB [0,1,0,0,1,0|2,0,0]=4 223 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,1,0,0,1,0|2,0,0]=4 224 B11R1.22 CCN(C)C1=CC=C(N)C=C1 9950AH [0,1,0,0,1,0|2,0,0]=4 225 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 V6197 [0,1,0,0,1,0|1,0,1]=4 226 B11R1.23 CNC(=O)C1=CC=CC(F)=C1 V7378 [0,1,0,0,1,0|1,0,1]=4 227 B11R1.222 CC(C#N)C1=CC=CC=C1Br V6737 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.222 CC(C#N)C1=CC=CC=C1Cl 1799AC [0,1,0,0,1,0|2,0,0]=4 229 B11R1.222 CNC(=O)C1=C(F)C=CC=C1 2080AL [0,1,0,0,1,0|1,0,1]=4 230 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 5571AJ [0,1,0,0,1,0|1,0,1]=4 231 B11R1.222 CNC(=O)C1=CC=CC=C1S 0033AP [0,1,0,0,1,0|1,0,1]=4 232 B11R1.222 C\C(NO)=C1\C=CC=CC1=O 0747AD [0,1,0,0,1,0|1,0,1]=4 233 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 3881AC [0,1,0,0,0,1|1,0,1]=4 234 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 7563AH [0,1,0,0,0,1|1,0,1]=4 235 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 4803AB [0,1,0,0,0,1|1,0,1]=4 236 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O 2966AH [0,1,0,0,0,1|2,0,0]=4 237 B13R1.44 CNCCN(C)CC1=CC=CC=C1 8509AL [0,2,0,0,0,0|1,0,0]=3 238 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br Z7562 [0,2,0,0,0,0|1,0,1]=4 239 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 0244AC [0,2,0,0,0,0|1,0,1]=4 240 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1Br V7640 [0,2,0,0,0,0|1,0,1]=4 241 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O W4900 [0,2,0,0,0,0|0,0,1]=3 242 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O Z5919 [0,2,0,0,0,0|0,0,1]=3 243 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O W7037 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z5603 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.5 CCC(C)OC1=CC=C(CN)C=C1 1979AE [0,2,0,0,0,0|2,0,0]=4 246 B13R1.81 CCC(C)OC1=CC(C=O)=CC=C1 5390AH [0,2,0,0,0,0|2,0,0]=4 247 B13R1.275 CC[N+](C)(C)CC1=C(Br)C=CC=C1 V2113 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.91 CCC(C)OC1=CC=CC=C1C=O 5120AH [0,2,0,0,0,0|2,0,0]=4 249 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [1,0,0,1,0,0|1,0,1]=4 250 B11R2.1 CN1N=CC2=C1C=CC=C2 Z9755 [1,0,0,1,0,0|1,0,1]=4 251 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.1 NN1CCC2=C1C=CC=C2 3264AF [1,0,0,1,0,0|1,0,0]=3 253 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [1,0,0,1,0,0|2,0,0]=4 256 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [1,0,0,1,0,0|2,0,0]=4 257 B11R2.20 C1=CC2=C(C=C1)CC=CC2 U920 [1,0,0,1,0,0|1,0,1]=4 258 B11R2.20 C1=CC2=C(C=C1)CCC=C2 5653AF [1,0,0,1,0,0|1,0,1]=4 259 B11R2.20 C1=CC2=C(C=C1)OCCC2 V6174 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [1,0,0,1,0,0|1,0,0]=3 261 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [1,0,0,1,0,0|1,0,0]=3 262 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [1,0,0,1,0,0|1,0,0]=3 263 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [1,0,0,1,0,0|1,0,0]=3 264 B11R2.20 C1=NC=NC2=C1CNCC2 W3415 [1,0,0,1,0,0|2,0,0]=4 265 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [1,0,0,1,0,0|2,0,0]=4 266 B11R2.239 C1=CC(C2CNC2)=CN=C1 4511AA [1,0,0,1,0,0|1,0,0]=3 267 B11R2.10 CC1=CC2=C(C=CC=C2)C1 1054AB [1,0,0,1,0,0|0,0,2]=4 268 B11R2.10 CC1CC2=C(C=CC=C2)O1 5226AL [1,0,0,1,0,0|1,0,0]=3 269 B11R2.40 CC1(C2=CC=CC=C2)CO1 5786AL [0,0,0,1,1,0|1,0,0]=3 270 B11R2.40 NC1(C2=CC=CC=C2)CC1 W8184 [0,0,0,1,1,0|2,0,0]=4 271 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [0,0,0,1,1,0|2,0,0]=4 272 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 V8838 [0,0,0,1,0,1|2,0,0]=4 273 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 R144 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 5490AD [0,1,0,1,0,0|0,0,0]=2 275 B13R2.64 C1=CC=C(CC2OCCO2)C=C1 5508AL [0,1,0,1,0,0|1,0,0]=3 276 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 1590AL [0,1,0,1,0,0|2,0,0]=4 277 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 5995AL [0,1,0,1,0,0|2,0,0]=4 278 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 7406AD [0,1,0,1,0,0|1,0,0]=3 279 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)N=C1 8962AH [0,1,0,1,0,0|2,0,0]=4 280 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 0720AA [0,1,0,1,0,0|2,0,0]=4 281 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 5580AB [0,1,0,1,0,0|0,0,2]=4 282 B13R2.3085 NC1C(=O)N(C)C2=CC=CC=C21 9963AL [0,1,0,1,0,0|1,0,1]=4 283 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 5254AE [0,1,0,1,0,0|1,0,1]=4 284 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,1,0,1,0,0|2,0,0]=4 285 B13R2.3028 CC1CC2=C(C=C(Cl)C=C2)C1=O 4125AB [0,1,0,1,0,0|2,0,0]=4 286 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 W9676 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.12 CCCCC1=CC=CS1 Z5462 [1,0,0,0,1,0|2,0,0]=4 288 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [1,0,0,0,1,0|1,0,0]=3 289 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [1,0,0,0,1,0|1,0,0]=3 290 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [1,0,0,0,1,0|1,0,0]=3 291 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [1,0,0,0,1,0|1,0,0]=3 292 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [1,0,0,0,1,0|2,0,0]=4 293 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [1,0,0,0,1,0|2,0,0]=4 294 B9R1.6 CN(C)C1=CN=CC=C1 9643AA [1,0,0,0,1,0|2,0,0]=4 295 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [1,0,0,0,1,0|1,0,0]=3 296 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [1,0,0,0,1,0|1,0,0]=3 297 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [1,0,0,0,1,0|1,0,0]=3 298 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [1,0,0,0,1,0|2,0,0]=4 299 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,0,0,1,0|2,0,0]=4 300 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [1,0,0,0,1,0|1,0,0]=3 301 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [1,0,0,0,1,0|1,0,0]=3 302 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [1,0,0,0,1,0|2,0,0]=4 303 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,0,0,1,0|2,0,0]=4 304 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [1,0,0,0,1,0|2,0,0]=4 305 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.13 CC(C)CC1=NNC=C1 5899AJ [1,0,0,0,1,0|2,0,0]=4 307 B9R1.13 CC(N)CN1C=CC=N1 3672AF [1,0,0,0,1,0|2,0,0]=4 308 B9R1.13 CN(C)CC1=CC=CN1 4514AD [1,0,0,0,1,0|2,0,0]=4 309 B13R1.718 CC(CN)CNCC1=CC=CC=C1 8505AL [0,0,0,0,0,2|2,0,0]=4