0 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 CC(=O)C#CC1=CC=CC=C1 W3943 [0,0,0,0,0,0|0,0,4]=4 2 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 CC(=O)NCC1=CC=NC=C1 8097AD [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 N=C(N)NCC1=CC=CC=C1 8483AD [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 NC(=O)COC1=CC=CC=C1 6854AE [0,0,0,0,0,0|2,0,2]=4 8 B11R1.91 NC(=S)COC1=CC=CC=C1 9422AJ [0,0,0,0,0,0|2,1,1]=4 9 B11R1.91 O=C(O)CCC1=CC=NC=C1 Y9675 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.91 O=C(O)COC1=CC=CC=N1 8675AB [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 O=C(O)COC1=CN=CC=C1 4069AE [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 C#CCOC1=CC=CC=C1 3952AD [1,0,0,0,0,0|1,0,2]=4 14 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [1,0,0,0,0,0|1,0,2]=4 15 B10R1.17 C=COCC1=CC=CC=C1 1335AL [1,0,0,0,0,0|1,0,2]=4 16 B10R1.17 CCOCC1=CC=CC=C1 S562 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 CNCCC1=CC=NC=C1 5553AE [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 COCSC1=CC=CC=C1 8208AL [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 ClCC#CC1=CC=CC=C1 U705 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 NCCCC1=CC=CN=C1 X2118 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 NCCCC1=CC=NC=C1 3209AB [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 NCCOC1=NC=CC=C1 W5199 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 NNCCC1=CC=CC=C1 4752AE [1,0,0,0,0,0|2,0,0]=3 25 B10R1.17 OCC#CC1=CC=NC=C1 5668AJ [1,0,0,0,0,0|1,0,2]=4 26 B10R1.17 OCCNC1=CC=CC=C1 V7623 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 0827AD [0,1,0,0,0,0|1,0,2]=4 28 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 5686AF [0,1,0,0,0,0|1,0,2]=4 29 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4819AE [0,1,0,0,0,0|2,0,0]=3 30 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 8511AE [0,1,0,0,0,0|2,0,0]=3 31 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 5530AH [0,1,0,0,0,0|2,0,0]=3 32 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 W6341 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 1940AL [0,1,0,0,0,0|2,0,1]=4 34 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4354AB [0,1,0,0,0,0|2,0,1]=4 35 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 V5299 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 Y8748 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.27 COC(=O)CCC1=NC=CC=C1 6978AJ [0,1,0,0,0,0|1,0,2]=4 38 B12R1.27 NCC(O)COC1=CC=CC=C1 3219AE [0,1,0,0,0,0|1,0,0]=2 39 B12R1.27 NCC(O)COC1=CC=CC=C1 Z2335 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 2113AB [0,1,0,0,0,0|1,0,2]=4 41 B12R1.27 O=C(CO)OCC1=CC=CC=C1 3173AB [0,1,0,0,0,0|1,0,2]=4 42 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [0,1,0,0,0,0|1,0,2]=4 43 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 8092AL [0,1,0,0,0,0|2,0,1]=4 44 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 6370AD [0,1,0,0,0,0|2,0,1]=4 45 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 1968AL [0,1,0,0,0,0|1,0,2]=4 46 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 8476AC [0,1,0,0,0,0|1,0,2]=4 47 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O 8997AA [0,1,0,0,0,0|2,0,1]=4 48 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O X7044 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O 0104AB [0,1,0,0,0,0|2,0,1]=4 50 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 9207AA [0,1,0,0,0,0|1,0,1]=3 51 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O L367 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O M238 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O E888 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O K195 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 0699AP [0,1,0,0,0,0|2,0,1]=4 56 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O E889 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 2907AH [0,1,0,0,0,0|1,0,2]=4 58 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 8629AB [0,1,0,0,0,0|1,0,1]=3 59 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 5910AJ [0,1,0,0,0,0|2,0,0]=3 60 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 5521AB [0,1,0,0,0,0|2,0,1]=4 61 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 W7430 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 5468AA [0,1,0,0,0,0|2,0,1]=4 64 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 W5641 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.125 CC1=C(OCC(C)O)C=CC=C1 4280AL [0,1,0,0,0,0|1,0,0]=2 66 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 6771AC [0,1,0,0,0,0|1,0,1]=3 67 B12R1.226 CC(C)CSC1=CC(Br)=CC=C1 Z8144 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.226 CC1=CC=CC(OCC(C)O)=C1 4284AL [0,1,0,0,0,0|1,0,0]=2 69 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 X0194 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F258 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.226 O=C(O)CNC1=CC(Br)=CC=C1 1939AL [0,1,0,0,0,0|2,0,1]=4 72 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 V7794 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.891 CC(C)(C)NSC1=CC=CC=C1 8673AL [0,1,0,0,0,0|3,0,0]=4 74 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 4975AD [0,1,0,0,0,0|2,0,0]=3 75 B12R1.891 FC(F)(F)SCC1=CC=CC=C1 U740 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 3756AB [0,1,0,0,0,0|3,0,0]=4 77 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 W6072 [0,1,0,0,0,0|2,0,1]=4 78 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 7465AB [0,0,0,1,0,0|0,0,2]=3 79 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [0,0,0,1,0,0|1,1,0]=3 80 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,0|2,0,0]=3 81 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,0,0,1,0,0|2,0,0]=3 82 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,0,0|1,0,2]=4 83 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,0,0,1,0,0|1,0,0]=2 84 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 2275AL [0,0,0,1,0,0|2,0,0]=3 86 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [0,0,0,0,1,0|1,0,2]=4 87 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [0,0,0,0,1,0|1,0,2]=4 88 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [0,0,0,0,1,0|1,0,2]=4 89 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [0,0,0,0,1,0|1,0,2]=4 90 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [0,0,0,0,1,0|1,0,0]=2 91 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [0,0,0,0,1,0|3,0,0]=4 92 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [0,0,0,0,1,0|2,0,0]=3 93 B10R1.66 O=C(O)CCN1C=CC=C1 2198AF [0,0,0,0,1,0|2,0,1]=4 94 B12R1.252 CC(=O)COCC1=CC=CC=C1 1360AB [0,0,0,0,0,1|0,0,2]=3 95 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,0,0,0,0,1|1,0,0]=2 96 B12R1.252 CN(C)CCOC1=CC=CC=C1 X9881 [0,0,0,0,0,1|2,0,0]=3 97 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 X5394 [0,0,0,0,0,1|0,0,0]=1 98 B12R1.252 O=C(O)CCNC1=CC=CC=C1 V6650 [0,0,0,0,0,1|1,0,1]=3 99 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7334AB [0,0,0,0,0,1|1,0,1]=3 100 B9R1.8 BrCCC1=NC=CC=C1 W8132 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.8 BrCC[N+]1=CC=CC=C1 V0516 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.8 CC#CC1=CC=CC=C1 4952AL [2,0,0,0,0,0|0,0,2]=4 103 B9R1.8 CCCC1=NC=CC=C1 C946 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.8 CCCC1=NC=CN=C1 6087AD [2,0,0,0,0,0|2,0,0]=4 105 B9R1.8 CCNC1=CC=CC=N1 5047AL [2,0,0,0,0,0|2,0,0]=4 106 B9R1.8 CNCC1=CN=CC=C1 7435AH [2,0,0,0,0,0|2,0,0]=4 107 B9R1.8 COCC1=CC=CN=C1 5231AH [2,0,0,0,0,0|2,0,0]=4 108 B9R1.8 COCC1=CC=NC=C1 5493AH [2,0,0,0,0,0|2,0,0]=4 109 B9R1.8 COCC1=NC=CC=C1 V2195 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 CSCC1=CC=CC=C1 7914AF [2,0,0,0,0,0|1,0,0]=3 111 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [2,0,0,0,0,0|0,0,2]=4 112 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.8 ClCCC1=NC=CC=C1 W3687 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 ICCC1=CC=CC=C1 4037AL [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 NCCC1=CC=CC=C1 5784AL [2,0,0,0,0,0|1,0,0]=3 116 B9R1.8 NCCC1=CC=CN=C1 9756AD [2,0,0,0,0,0|2,0,0]=4 117 B9R1.8 NCCC1=CC=CN=C1 W8702 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.8 NCCC1=CC=NC=C1 W7604 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 OCCC1=CC=CC=C1 V0900 [2,0,0,0,0,0|0,0,0]=2 120 B9R1.8 OCCC1=CC=CN=C1 Y9667 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 OCCC1=CC=NC=C1 6680AL [2,0,0,0,0,0|1,0,0]=3 122 B9R1.8 ONCC1=CC=CC=C1 9353AB [2,0,0,0,0,0|1,0,0]=3 123 B11R1.1 BrCCOC1=CC=C(Br)C=C1 Z0310 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.1 C=CCCC1=CC=C(F)C=C1 7681AD [1,1,0,0,0,0|0,0,2]=4 125 B11R1.1 CC1=CC=C(OCCN)C=C1 Y8506 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.1 CC1=CC=C(OCCO)C=C1 7911AL [1,1,0,0,0,0|1,0,0]=3 127 B11R1.1 CCCCC1=CC=C(Cl)C=C1 4800AL [1,1,0,0,0,0|0,0,0]=2 128 B11R1.1 CCCOC1=CC=C(Br)C=C1 Z0571 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Y3728 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7274AJ [1,1,0,0,0,0|1,0,0]=3 131 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7613AC [1,1,0,0,0,0|1,0,0]=3 132 B11R1.1 CNCCC1=CC=C(Cl)C=C1 2068AE [1,1,0,0,0,0|1,0,0]=3 133 B11R1.1 CNCCC1=CC=C(O)C=C1 R512 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.1 ClC1=CC=C(CCCBr)C=C1 V7097 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 7334AE [1,1,0,0,0,0|1,0,0]=3 136 B11R1.1 FC1=CC=C(OCCBr)C=C1 0479AE [1,1,0,0,0,0|2,0,0]=4 137 B11R1.1 N#CCCC1=CC=C(Br)C=C1 8533AB [1,1,0,0,0,0|1,0,1]=4 138 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 0196AE [1,1,0,0,0,0|1,0,1]=4 139 B11R1.1 N(CC)CC1=CC=C(F)C=C1 7275AJ [1,1,0,0,0,0|1,0,0]=3 140 B11R1.1 NCCOC1=CC=C(Cl)C=C1 V4925 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.1 NCCOC1=CC=C(F)C=C1 Y9609 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.1 O=CCCC1=CC=C(Br)C=C1 2565AC [1,1,0,0,0,0|0,0,2]=4 143 B11R1.1 O=CCCC1=CC=C(F)C=C1 W7539 [1,1,0,0,0,0|0,0,2]=4 144 B11R1.1 OCCCC1=CC=C(O)C=C1 W2096 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.1 OCCOC1=CC=C(Br)C=C1 V5363 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.1 OCCSC1=CC=C(Cl)C=C1 6217AA [1,1,0,0,0,0|1,0,0]=3 147 B11R1.1 OCCSC1=NC=C(Cl)C=C1 Y7869 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 8226AC [1,1,0,0,0,0|0,0,2]=4 149 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,1,0,0,0,0|0,0,2]=4 150 B11R1.16 CCCC(=O)C1=CC=NC=C1 8728AA [1,1,0,0,0,0|1,0,1]=4 151 B11R1.16 CCCC(=O)C1=CN=CC=C1 8727AA [1,1,0,0,0,0|1,0,1]=4 152 B11R1.16 CCCC(=O)C1=NC=CC=C1 V4534 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [1,1,0,0,0,0|0,0,0]=2 154 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 1965AB [1,1,0,0,0,0|2,0,0]=4 155 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [1,1,0,0,0,0|2,0,0]=4 156 B11R1.16 CN(CCO)C1=NC=CC=C1 G779 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [1,1,0,0,0,0|1,0,0]=3 158 B11R1.16 N#CCC(O)C1=CC=CC=C1 5339AH [1,1,0,0,0,0|1,0,1]=4 159 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [1,1,0,0,0,0|1,0,0]=3 160 B11R1.17 CCCCC1=C(Br)C=NC=N1 V6044 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.17 CCCNC1=C(Cl)C=CC=C1 8047AB [1,1,0,0,0,0|1,0,0]=3 162 B11R1.17 CCCOC1=CC=CC=C1F V4197 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.17 CCCOC1=CC=CC=C1O 9496AB [1,1,0,0,0,0|1,0,0]=3 164 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.17 CCCOC1=NC=CC=C1I W9297 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.17 NCCOC1=CC=CC=C1F Z8222 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.17 O=CCCC1=CC=CC=C1F W3826 [1,1,0,0,0,0|0,0,2]=4 168 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [1,1,0,0,0,0|0,0,0]=2 169 B11R1.24 CC1=CC(OCCN)=CC=C1 7393AE [1,1,0,0,0,0|2,0,0]=4 170 B11R1.24 CC1=CC=CC(CCCO)=N1 6752AE [1,1,0,0,0,0|1,0,0]=3 171 B11R1.24 CCCNC1=NC(Br)=CC=C1 Z7608 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.24 CCCOC1=CC(Br)=CC=C1 Z0201 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.24 CCCOC1=CC(C)=CC=C1 V5255 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.24 CCCOC1=CN=CC(Br)=C1 V5553 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.24 CCNCC1=CC(O)=CC=C1 5753AJ [1,1,0,0,0,0|1,0,0]=3 176 B11R1.24 CCNCC1=CC=CC(Br)=C1 7269AJ [1,1,0,0,0,0|1,0,0]=3 177 B11R1.24 CCNCC1=CC=CC(F)=C1 V8908 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.24 CCOCC1=CC(Cl)=CC=C1 V7289 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.24 COCOC1=CC=CC(F)=C1 5292AA [1,1,0,0,0,0|2,0,0]=4 180 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [1,1,0,0,0,0|1,0,1]=4 181 B11R1.24 NC1=CC=CC(OCCO)=C1 4547AE [1,1,0,0,0,0|1,0,0]=3 182 B11R1.24 OCCCC1=CC=CC(Br)=C1 V7142 [1,1,0,0,0,0|0,0,0]=2 183 B11R1.24 OCCNC1=NC(Cl)=CC=C1 9328AD [1,1,0,0,0,0|2,0,0]=4 184 B11R1.28 C=CCNCC1=CC=CC=C1 3700AL [1,1,0,0,0,0|0,0,2]=4 185 B11R1.28 C=CCOCC1=CC=CC=C1 3133AL [1,1,0,0,0,0|0,0,2]=4 186 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [1,1,0,0,0,0|0,0,1]=3 187 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [1,1,0,0,0,0|1,0,0]=3 188 B11R1.28 CCCCCC1=NC=CC=C1 S154 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [1,1,0,0,0,0|1,0,0]=3 190 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [1,1,0,0,0,0|0,0,0]=2 191 B11R1.28 ClCCCCC1=CC=NC=C1 7448AA [1,1,0,0,0,0|1,0,0]=3 192 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [1,1,0,0,0,0|0,0,0]=2 193 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [1,1,0,0,0,0|0,0,1]=3 194 B11R1.28 O=CNCCC1=CC=CC=C1 1248AQ [1,1,0,0,0,0|0,0,2]=4 195 B11R1.28 OCCC#CC1=CC=NC=C1 6016AJ [1,1,0,0,0,0|1,0,1]=4 196 B11R1.28 OCCC#CC1=CN=CC=C1 6015AJ [1,1,0,0,0,0|1,0,1]=4 197 B11R1.28 OCCC#CC1=NC=CC=C1 6013AJ [1,1,0,0,0,0|1,0,1]=4 198 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [1,1,0,0,0,0|0,0,0]=2 199 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [1,1,0,0,0,0|1,0,0]=3 200 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [1,1,0,0,0,0|1,0,1]=4 201 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [1,1,0,0,0,0|2,0,0]=4 202 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 6479AD [1,1,0,0,0,0|1,0,1]=4 203 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 9287AB [0,1,0,0,1,0|0,0,2]=4 204 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [0,1,0,0,1,0|0,0,2]=4 205 B11R1.20 CC(=O)CC1=CC=C(I)C=C1 1094AB [0,1,0,0,1,0|0,0,2]=4 206 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 Q226 [0,1,0,0,1,0|0,0,2]=4 207 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 V4230 [0,1,0,0,1,0|1,0,0]=3 208 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,1,0,0,1,0|1,0,0]=3 209 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 Z8271 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Z0788 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.20 CC(C)OC1=CC=C(N)C=C1 V4472 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.20 CC(C)OC1=CC=C(O)C=C1 Y9996 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 5630AH [0,1,0,0,1,0|1,0,1]=4 214 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [0,1,0,0,1,0|0,0,2]=4 215 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,1,0|0,0,2]=4 216 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,1,0,0,1,0|2,0,0]=4 217 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [0,1,0,0,1,0|2,0,0]=4 218 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [0,1,0,0,1,0|1,0,0]=3 219 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,1,0,0,1,0|1,0,0]=3 220 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 5584AL [0,1,0,0,1,0|1,0,1]=4 222 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [0,1,0,0,1,0|2,0,0]=4 223 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 U170 [0,1,0,0,1,0|1,0,1]=4 224 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 6492AB [0,1,0,0,1,0|1,0,1]=4 225 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 9403AJ [0,1,0,0,1,0|0,0,2]=4 226 B11R1.86 CC(C)OC1=CC=CC=C1F Y3731 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.86 CC(C)OC1=CC=CC=C1N W5162 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.86 CC(C)SC1=CC=CC=C1N V7063 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.86 CC1=CC=CC=C1OC(C)C V5254 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,1,0,0,1,0|2,0,0]=4 231 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 8966AA [0,1,0,0,1,0|0,0,2]=4 232 B11R1.157 CC1=CC=CC(OC(C)C)=C1 V4050 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.509 CC(C)(C)CC1=CC=CC=C1 0255AA [0,1,0,0,1,0|1,0,0]=3 234 B11R1.509 FC(F)(F)CC1=CC=CC=C1 7211AD [0,1,0,0,1,0|2,0,0]=4 235 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 V7758 [0,1,0,0,0,1|1,0,1]=4 236 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 5749AJ [0,1,0,0,0,1|1,0,1]=4 237 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 1138AC [0,1,0,0,0,1|1,0,1]=4 238 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 3792AD [0,1,0,0,0,1|1,0,1]=4 239 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 1978AB [0,1,0,0,0,1|1,0,1]=4 240 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 U405 [0,1,0,0,0,1|1,0,0]=3 241 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,1,0,0,0,1|1,0,1]=4 242 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 E678 [0,1,0,0,0,1|1,0,1]=4 243 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 X5029 [0,1,0,0,0,1|1,0,1]=4 244 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 2303AB [0,1,0,0,0,1|1,0,1]=4 245 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 1188AD [0,1,0,0,0,1|1,0,1]=4 246 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 E972 [0,1,0,0,0,1|1,0,1]=4 247 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 4188AL [0,1,0,0,0,1|0,0,1]=3 248 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O 2966AH [0,1,0,0,0,1|1,0,1]=4 249 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 6574AH [0,1,0,0,0,1|1,0,1]=4 250 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 X9098 [0,1,0,0,0,1|1,0,1]=4 251 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 3505AA [0,1,0,0,0,1|0,0,2]=4 252 B13R1.513 CC(C)CCSC1=CC=C(Br)C=C1 V7672 [0,1,0,0,0,1|1,0,0]=3 253 B13R1.513 CN(C)CCOC1=CC=C(Br)C=C1 1749AL [0,1,0,0,0,1|2,0,0]=4 254 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 Y9557 [0,1,0,0,0,1|1,0,1]=4 255 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 Y1471 [0,1,0,0,0,1|1,0,1]=4 256 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 0330AE [0,1,0,0,0,1|1,0,1]=4 257 B13R1.718 CC(CN)CNCC1=CC=CC=C1 8505AL [0,1,0,0,0,1|1,0,0]=3 258 B13R1.718 COC(=O)CCOC1=CC=CC=C1 X5665 [0,1,0,0,0,1|0,0,2]=4 259 B13R1.718 COC(=O)CNCC1=CC=CC=C1 W3738 [0,1,0,0,0,1|0,0,2]=4 260 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 9195AB [0,1,0,0,0,1|1,0,0]=3 261 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 8687AB [0,1,0,0,0,1|1,0,0]=3 262 B13R1.718 OCC(O)COCC1=CC=CC=C1 6578AB [0,1,0,0,0,1|0,0,0]=2 263 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 1350AL [0,2,0,0,0,0|2,0,0]=4 264 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 9905AB [0,2,0,0,0,0|1,0,1]=4 265 B13R1.3 CSC1=CC=C(CCC(=O)O)C=C1 4078AD [0,2,0,0,0,0|1,0,1]=4 266 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 W6214 [0,2,0,0,0,0|1,0,1]=4 267 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 W8280 [0,2,0,0,0,0|0,0,2]=4 268 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 6984AJ [0,2,0,0,0,0|0,0,2]=4 269 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 4413AB [0,2,0,0,0,0|0,0,2]=4 270 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 W7844 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 X2701 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 W5439 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 8862AE [0,2,0,0,0,0|1,0,1]=4 274 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 Z5813 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 X9800 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 Z5662 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 6328AB [0,2,0,0,0,0|1,0,1]=4 278 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O 1963AL [0,2,0,0,0,0|1,0,1]=4 279 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 7213AH [0,2,0,0,0,0|1,0,1]=4 280 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 V6931 [0,2,0,0,0,0|1,0,1]=4 281 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 4433AA [0,2,0,0,0,0|1,0,1]=4 282 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O Z4989 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 8616AA [0,2,0,0,0,0|1,0,1]=4 284 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 7300AA [0,2,0,0,0,0|1,0,1]=4 285 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O N794 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 4805AJ [0,2,0,0,0,0|1,0,1]=4 287 B13R1.164 CC1=CC=C(CCC(=O)O)C(C)=C1 6080AD [0,2,0,0,0,0|1,0,1]=4 288 B13R1.164 O=C(O)CCC1=C(F)C=C(F)C=C1 6229AA [0,2,0,0,0,0|1,0,1]=4 289 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F Z9744 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br W3815 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl W3814 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O W2712 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C 8413AD [0,2,0,0,0,0|1,0,1]=4 294 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 W9037 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.512 CC(C)(C)COC1=CC=C(Br)C=C1 V6412 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y6709 [0,2,0,0,0,0|0,0,2]=4 297 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 W3312 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 3534AL [0,2,0,0,0,0|0,0,2]=4 299 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 X5331 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.42 CCCC(O)C#CC1=CC=CC=C1 1007AQ [0,2,0,0,0,0|0,0,2]=4 301 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 W4488 [0,2,0,0,0,0|0,0,2]=4 302 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 W5014 [0,2,0,0,0,0|0,0,2]=4 303 B13R1.135 N[C@@H](CC1=CC=CC=C1)[C@H](O)CCl Y6616 [0,2,0,0,0,0|0,0,0]=2 304 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 0166AC [0,2,0,0,0,0|0,0,2]=4 305 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 7951AB [0,2,0,0,0,0|1,0,1]=4 306 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O Y0536 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O 0663AB [0,2,0,0,0,0|1,0,1]=4 308 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O Y6735 [0,2,0,0,0,0|1,0,1]=4 309 B13R1.148 N[C@H](CC1=CC(O)=CC=C1)C(=O)O W5399 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O Q746 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 8070AB [0,2,0,0,0,0|1,0,1]=4 312 B13R1.202 NC(CC1=CC=CC=C1Br)C(=O)O 0240AB [0,2,0,0,0,0|1,0,1]=4 313 B13R1.202 NC(CC1=CC=CC=C1F)C(=O)O W4974 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.202 N[C@H](CC1=CC=CC=C1Cl)C(=O)O K425 [0,2,0,0,0,0|1,0,1]=4 315 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O W4900 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O Z5919 [0,2,0,0,0,0|1,0,1]=4 317 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O W7037 [0,2,0,0,0,0|1,0,1]=4 318 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z5603 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 Z5946 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 X9206 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.147 N[C@@H](CC(=O)O)C1=CC(Cl)=CC=C1 2128AC [0,2,0,0,0,0|1,0,1]=4 322 B13R1.147 N[C@@H](CC(=O)O)C1=CC(F)=CC=C1 Z5956 [0,2,0,0,0,0|1,0,1]=4 323 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 1297AL [0,2,0,0,0,0|1,0,1]=4 324 B13R1.147 N[C@H](CC(=O)O)C1=CC(Br)=CC=C1 2340AC [0,2,0,0,0,0|1,0,1]=4 325 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 1690AC [0,2,0,0,0,0|1,0,1]=4 326 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O W8168 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.201 NC(CC(=O)O)C1=C(Br)C=CC=C1 9944AC [0,2,0,0,0,0|1,0,1]=4 328 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl V2059 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F 9945AC [0,2,0,0,0,0|1,0,1]=4 330 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br 2637AB [0,2,0,0,0,0|1,0,1]=4 331 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl W8328 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.201 N[C@H](CC(=O)O)C1=C(Br)C=CC=C1 Z5962 [0,2,0,0,0,0|1,0,1]=4 333 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 1497AC [0,2,0,0,0,0|1,0,1]=4 334 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 0995AC [0,2,0,0,0,0|1,0,1]=4 335 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F Z5660 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 Y9963 [0,2,0,0,0,0|0,0,2]=4 337 B13R1.713 CC(C)N[C@@H](CO)C1=CC=CC=C1 4153AL [0,2,0,0,0,0|2,0,0]=4 338 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 9446AB [0,2,0,0,0,0|1,0,1]=4 339 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 4438AB [0,2,0,0,0,0|1,0,1]=4 340 B13R1.90 COC1=CC=CC=C1CCC(=O)O Y9683 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.90 COC1=CC=CC=C1CNC(C)C 9269AE [0,2,0,0,0,0|2,0,0]=4 342 B13R1.150 O=C(O)CCC1=C(Cl)C(Cl)=CC=C1 5975AE [0,2,0,0,0,0|1,0,1]=4 343 B13R1.157 CC1=CC=CC=C1C#CC(C)(C)O V5828 [0,2,0,0,0,0|0,0,2]=4 344 B13R1.157 FC(F)(F)CCC1=C(Br)C=CC=C1 8670AC [0,2,0,0,0,0|2,0,0]=4 345 B13R1.3787 O=C(O)CCC1=C(F)C=CC=C1F 5609AJ [0,2,0,0,0,0|1,0,1]=4 346 B13R1.643 COC1=CC=CC(OCC(C)O)=C1 4283AL [0,2,0,0,0,0|1,0,0]=3 347 B13R1.838 CC(C)(C)COC1=CC(Br)=CC=C1 V6413 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 6410AC [0,2,0,0,0,0|1,0,1]=4 349 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 W8698 [0,2,0,0,0,0|1,0,1]=4 350 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [1,0,0,1,0,0|0,0,2]=4 351 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [1,0,0,1,0,0|1,0,0]=3 352 B11R2.1 NN1CCC2=C1C=CC=C2 3264AF [1,0,0,1,0,0|2,0,0]=4 353 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [1,0,0,1,0,0|1,0,0]=3 354 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [1,0,0,1,0,0|1,0,0]=3 355 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [1,0,0,1,0,0|1,0,0]=3 356 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [1,0,0,1,0,0|1,0,0]=3 357 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [1,0,0,1,0,0|1,0,0]=3 358 B11R2.20 C1=CC2=C(C=C1)CC=CC2 U920 [1,0,0,1,0,0|0,0,2]=4 359 B11R2.20 C1=CC2=C(C=C1)CCC=C2 5653AF [1,0,0,1,0,0|0,0,2]=4 360 B11R2.20 C1=CC2=C(C=C1)NCCN2 W5637 [1,0,0,1,0,0|2,0,0]=4 361 B11R2.20 C1=CC2=C(C=C1)OCCC2 V6174 [1,0,0,1,0,0|0,0,0]=2 362 B11R2.20 C1=CC2=C(C=N1)CCCN2 X9942 [1,0,0,1,0,0|2,0,0]=4 363 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [1,0,0,1,0,0|2,0,0]=4 364 B11R2.20 C1=CC2=C(CCCN2)N=C1 6807AA [1,0,0,1,0,0|2,0,0]=4 365 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [1,0,0,1,0,0|2,0,0]=4 366 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [1,0,0,1,0,0|2,0,0]=4 368 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z4118 [1,0,0,1,0,0|2,0,0]=4 369 B11R2.20 C1=CC2=C(N=C1)NCCO2 0424AB [1,0,0,1,0,0|2,0,0]=4 370 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [1,0,0,1,0,0|2,0,0]=4 371 B11R2.20 C1=CC2=C(N=C1)OCCO2 P322 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [1,0,0,1,0,0|1,1,0]=4 373 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [1,0,0,1,0,0|1,0,0]=3 374 B11R2.239 C1=CC(C2CNC2)=CN=C1 4511AA [1,0,0,1,0,0|2,0,0]=4 375 B11R2.10 CC1=CC2=C(C=CC=C2)C1 1054AB [0,0,0,1,1,0|1,0,1]=4 376 B11R2.10 CC1CC2=C(C=CC=C2)O1 5226AL [0,0,0,1,1,0|0,0,0]=2 377 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [0,0,0,1,0,1|0,0,2]=4 378 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 R144 [0,0,0,1,0,1|0,0,0]=2 379 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 W3131 [0,0,0,1,0,1|1,0,1]=4 380 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 I481 [0,0,0,1,0,1|1,0,1]=4 381 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 X7950 [0,0,0,1,0,1|1,0,1]=4 382 B13R2.72 O=C(O)C1NCC2=CC=CC=C21 1356AJ [0,0,0,1,0,1|1,0,1]=4 383 B13R2.187 ClC1(Cl)CC1SC2=CC=CC=C2 5120AL [0,0,0,1,0,1|2,0,0]=4 384 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,0,0,1,0,1|1,0,1]=4 385 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 2077AB [0,1,0,1,0,0|0,0,2]=4 386 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 9025AF [0,1,0,1,0,0|0,0,2]=4 387 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)C1 5867AD [0,1,0,1,0,0|0,0,2]=4 388 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 W5866 [0,1,0,1,0,0|0,0,2]=4 389 B13R2.527 BrC1=CC=C(OCC2CO2)C=C1 7574AD [0,1,0,1,0,0|1,0,0]=3 390 B13R2.527 ClC1=CC=C(OCC2CO2)C=C1 2795AJ [0,1,0,1,0,0|1,0,0]=3 391 B13R2.527 NC1=CC=C(CNC2CC2)C=C1 7258AJ [0,1,0,1,0,0|2,0,0]=4 392 B13R2.32 O=C1C2=C(C=CC=C2)CCC1Br 6502AA [0,1,0,1,0,0|1,0,1]=4 393 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 4868AB [0,1,0,1,0,0|0,0,2]=4 394 B13R2.57 BrCC1CCC2=C(C=CC=C2)O1 Y5577 [0,1,0,1,0,0|0,0,0]=2 395 B13R2.57 NCC1COC2=CC=CC=C2O1 W3156 [0,1,0,1,0,0|1,0,0]=3 396 B13R2.57 OCC1CCC2=C(C=CC=C2)O1 Y4165 [0,1,0,1,0,0|0,0,0]=2 397 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 V8838 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.435 CC(O)C1=NC2=CC=CC=C2N1 W4092 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.3587 CC1=C(OCC2CO2)C=CC=C1 7567AD [0,1,0,1,0,0|1,0,0]=3 400 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)O1 1730AJ [0,1,0,1,0,0|1,0,1]=4 401 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 Z4565 [0,1,0,1,0,0|0,0,2]=4 402 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)C1 W6735 [0,1,0,1,0,0|0,0,2]=4 403 B13R2.5331 BrC1=CC=CC(SCC2CC2)=C1 Y6754 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.12 CCCCC1=CC=CS1 Z5462 [1,0,0,0,1,0|1,0,0]=3 405 B9R1.12 CCCCN1C=CC=N1 Z0656 [1,0,0,0,1,0|2,0,0]=4 406 B9R1.12 CCNCC1=CC=CS1 V6759 [1,0,0,0,1,0|2,0,0]=4 407 B9R1.12 CCOCC1=CC=CO1 Z4965 [1,0,0,0,1,0|2,0,0]=4 408 B9R1.12 OCCCC1=CC=CS1 X0200 [1,0,0,0,1,0|1,0,0]=3 409 B9R1.12 OCCCC1=CSC=C1 5648AJ [1,0,0,0,1,0|1,0,0]=3 410 B9R1.12 OCCCN1C=CC=N1 6058AD [1,0,0,0,1,0|2,0,0]=4 411 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [0,0,0,0,2,0|2,0,0]=4 412 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [0,0,0,0,2,0|2,0,0]=4 413 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [0,0,0,0,2,0|2,0,0]=4 414 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [0,0,0,0,2,0|2,0,0]=4 415 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [0,0,0,0,2,0|1,0,0]=3 416 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [0,0,0,0,2,0|2,0,0]=4 417 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [0,0,0,0,2,0|2,0,0]=4 418 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [0,0,0,0,2,0|2,0,0]=4 419 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [0,0,0,0,2,0|1,0,0]=3 420 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,0,0,0,2,0|1,0,0]=3 421 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [0,0,0,0,2,0|2,0,0]=4 422 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [0,0,0,0,2,0|2,0,0]=4 423 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [0,0,0,0,2,0|1,0,0]=3 424 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,0,0,0,2,0|1,0,0]=3 425 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [0,0,0,0,2,0|1,0,0]=3 426 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [0,0,0,0,2,0|2,0,0]=4 427 B13R1.337 CC(C)CCOCC1=CC=CC=C1 6005AF [0,0,0,0,0,2|1,0,0]=3 428 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 9239AD [0,0,0,0,0,2|1,0,1]=4