0 B7R0.1 C#CCCCCCN D76475 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 CCCNNCCC D79943 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 NCCCNCCS W12622 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 NOCCOCCO C70226 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.6 COCOCCN AC9200 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.6 NCCOCCS AT12749 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 NNCCCCO AB9420 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 O=CNCCCF AT22548 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.4 C#CCCCCCCBr AT14297 [0,1,0,0,0,0|0,0,2]=3 11 B8R0.4 C#CCCCCCCI AT14299 [0,1,0,0,0,0|0,0,2]=3 12 B8R0.4 C#CCCCCCCN AT24987 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.4 C#CCCCCCCN D76981 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.4 COCCOCCON C70681 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.6 CCCCOC(=O)C=O 39366 [0,1,0,0,0,0|2,0,1]=4 16 B8R1.2 C#C[C@@H]1CCCCO1 AT10034 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 C#C[C@@H]1CCCCO1 AT10035 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 C#C[C@@H]1CCCCO1 AT10036 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.2 C#C[C@H]1CCCOC1 AT10092 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.2 C#C[C@H]1CCCOC1 AT10093 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,0,0,1,0,0|1,0,1]=3 22 B8R1.2 CC[C@H]1CNCCN1 77623 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 FC[C@H]1CCCCN1 P14250 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 N#C[C@@H]1CCCCN1 P10260 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 N#C[C@@H]1CCCCN1 P14176 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 N#C[C@@H]1CCCCN1 P17878 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 NC[C@H]1CCCOC1 P12202 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 NC[C@H]1CCCOC1 P12792 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 OC[C@H]1CCC=CO1 AC9028 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.5 CC1CSCCC1N 70873 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,0,0,1,0,0|1,0,1]=3 34 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.5 NC1CCCCC1F 72734 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.5 N[C@H]1COCCC1=O E73090 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.8 BrCC[C@H]1CCCN1 C77427 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.8 COC[C@H]1CCNC1 P12587 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.8 NOCC1CCCC1 Y11655 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.8 O=CC[C@H]1CCOC1 E72813 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.10 OCCCC1CCC1 F52481 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.10 OCCOC1CCC1 92926 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.11 C#C[C@@H]1CCC[C@@H]1O AC1025 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P12194 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.11 O=C1CCCN1CO D86008 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.12 CCN1CC[C@@H]1CN E73268 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.12 CNC1CCC1OC AT11411 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.13 COCC1CCC1N AT20685 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.17 NCCC1CC1CO AT22591 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.22 C[C@H]1CCNCCN1 91998 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.22 C[C@H]1CCNCCN1 91999 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.22 C[C@H]1CCOCCN1 33399 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.22 F[C@H]1CCCCNC1 72488 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.36 NOCCCC1CC1 AT26811 [0,0,0,1,0,0|2,0,0]=3 80 B5R0.2 C=CCNOC AT24925 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.2 CNCCCF AT22549 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 NCCCCF D75976 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.2 NCCCCS AT25915 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.2 O=CCCCBr AT24507 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.3 C=CCC[C@H](N)CO D75109 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.3 C[C@H](CN)CCCO AC9867 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.3 C\C=C(/C)CCCC T72329 [1,1,0,0,0,0|0,0,2]=4 90 B7R0.4 CCCCC[13C](=O)O 41454 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.4 C[S@](=O)CCCCN AT23964 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.4 NCCCCC(N)=O D77059 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.7 CCC[C@H](O)COC D77523 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15753 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15756 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.2 CNCCOCCC(=O)O C70436 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.45 CC\C=C\CCCCC=O P17001 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.1 C=CN1CCCC1 C11100 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.1 FC[C@H]1CCCN1 P12557 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 FC[C@H]1CCNC1 AT23179 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 NC[C@@H]1C=CCC1 E73245 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.1 O=C[C@@H]1CCCO1 98506 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 O=C[C@@H]1CCCO1 98507 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.1 O=C[C@H]1CCOC1 58457 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.1 O=C[C@H]1CCOC1 58458 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 C=C1CCNCC1 D77655 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.3 C[C@H]1CNCCS1 AT10752 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 C[C@H]1CSCCN1 AT10757 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 N[C@@H]1CCCCN1 F13375 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.4 CC1CNCC1N AT23640 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.4 CC1NCCC1O 94946 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.4 CC1NCCC1O AT22499 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.6 NCCC1CNC1 AC9109 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.7 OCCOC1CC1 AT11518 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.8 COC1CCC1N AT20027 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.8 C#CCC1CCNCC1 AC9813 [0,1,0,1,0,0|0,0,2]=4 152 B9R1.8 C#CCC1CCOCC1 AT12454 [0,1,0,1,0,0|0,0,2]=4 153 B9R1.8 C=CCC1CCOCC1 D75530 [0,1,0,1,0,0|0,0,0]=2 154 B9R1.8 ClCCC1CCOCC1 W16120 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.8 FCCC1CCNCC1 E73103 [0,1,0,1,0,0|1,0,1]=4 156 B9R1.12 COCC[C@H]1CCCN1 37988 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.12 NNCCN1CCCC1 D88038 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.12 O=C\C=C\C1CCCC1 59600 [0,1,0,1,0,0|0,0,1]=3 159 B9R1.15 C#CC1CCCCC1O D76432 [0,1,0,1,0,0|0,0,2]=4 160 B9R1.15 CC1NCCCC1CO 72651 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.15 C[C@H]1CCCC[C@@H]1NN C92106 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.15 C[C@H]1NCCC[C@@H]1C#N CS2862 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.15 N#C[C@@H]1CCCC[C@@H]1N AT21044 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.15 N#C[C@@H]1CCCC[C@@H]1N AT21047 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.15 N#C[C@@H]1CCCC[C@@H]1N AT21050 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.15 N#C[C@H]1CCCC[C@@H]1N AT21046 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.15 N#C[C@H]1CCCC[C@@H]1N AT21048 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.15 N#C[C@H]1CCCC[C@@H]1N AT21049 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.15 N[C@H]1CCCC[C@@H]1CO AT25975 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.15 N[C@H]1CCCC[C@H]1CO AT26297 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.22 CCN1C[C@@H](O)CC1=O AT19120 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.33 CN1CCC[C@@H]1CCN D96505 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.33 CN1CCC[C@@H]1CCN O10200 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.33 CNC[C@H]1CCCN1C D76214 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.69 C[C@H]1CN(C)CCC1=O AT24784 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.69 C[C@H]1CN(C)CCC1=O AT24785 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.73 NCC[C@H](O)C1CCC1 AT26524 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.73 N[C@@H](CCO)C1CCC1 F53573 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.73 N[C@@H](CCO)C1CCC1 F53753 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.5 CC1CCNCCC1O 73005 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.5 O[C@H]1CCCCC[C@@H]1O D88147 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.14 CC[C@H]1CNC[C@@H]1CO P17771 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.16 C=CCCC[C@H]1C[C@@H]1O C12691 [0,1,0,1,0,0|0,0,0]=2 189 B9R1.89 C#C[C@H]1CCCCNC1 E73260 [0,1,0,1,0,0|0,0,2]=4 190 B9R1.89 N#C[C@H]1CCCCNC1 91456 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,1,0,0|0,0,1]=3 192 B9R1.1 CC[C@H]1CC[C@@H](N)CC1 AT14261 [0,1,0,1,0,0|0,0,2]=4 193 B9R1.1 NC[C@H]1CC[C@H](F)CC1 AT24885 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 F53063 [0,1,0,1,0,0|1,0,0]=3 195 B9R1.1 OCC1CCC(F)CC1 AT22097 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.1 OC[C@H]1CC[C@H](F)CC1 AT24883 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.3 CN1CCC[C@H](N)C1=O 20396 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.3 CN1CCC[C@H](N)C1=O 20397 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.11 N[C@@H](CO)C1CCCC1 F16947 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.132 CCN1CC[C@H](N)C1=O AT19096 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [0,1,0,1,0,0|0,0,2]=4 205 B9R1.6 N[S@@](=O)C1CCCCC1 D96431 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.41 CC(O)C1CCCN1C AT23389 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.41 CC1CCNC1C(=O)O E72830 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.41 CC1CNCC1C(=O)O AT17201 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23383 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23388 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.41 C[C@H](O)[C@@H]1CCCN1C AT23387 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.41 O=C(O)C1CCCC1O AT25921 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.84 O=C(O)CCC1CNC1 AT26044 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.84 O=C(O)CCC1COC1 52191 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.96 CCN1CC[C@H]1C(=O)O E73037 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.96 O=C(O)C1CCC1CO D75979 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.148 CC1(C)CCCCNC1 AT20042 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.148 C[C@]1(F)CCCCNC1 73124 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.148 C[C@]1(N)CCCCNC1 AT24711 [0,1,0,1,0,0|1,0,1]=4 225 B9R2.47 O=CC1CC2CC2C1 AT24728 [0,0,0,2,0,0|1,0,0]=3 226 B9R2.47 OCC1CC2CC2C1 AT24727 [0,0,0,2,0,0|1,0,1]=4 227 B9R2.49 C1CC2CCC1NO2 E73124 [0,0,0,2,0,0|2,0,0]=4 228 B9R2.50 C1=CC[C@@H]2NC[C@@H]2C1 AT13093 [0,0,0,2,0,0|1,0,0]=3 229 B9R2.50 C1CNC2CCC2C1 D72868 [0,0,0,2,0,0|1,0,1]=4 230 B9R2.50 C1CN[C@H]2CC[C@H]2C1 AT11646 [0,0,0,2,0,0|1,0,1]=4 231 B9R2.50 C1C[C@H]2CC[C@H]2CN1 AT11750 [0,0,0,2,0,0|1,0,1]=4 232 B9R2.68 C1CC2CNCC1C2 AC8006 [0,0,0,2,0,0|1,0,1]=4 233 B9R2.123 NC1C2CCCCC12 AT23098 [0,0,0,2,0,0|1,0,1]=4 234 B9R2.174 C1CNCC2(C1)CC2 P11720 [0,0,0,2,0,0|1,0,1]=4 235 B9R2.19 N[C@H]1CCC2CC1C2 AT22816 [0,0,0,2,0,0|1,0,1]=4 236 B9R2.19 O=C1CCC2CC1C2 P12658 [0,0,0,2,0,0|1,0,0]=3 237 B9R2.19 O[C@H]1CCC2CC1C2 AT22815 [0,0,0,2,0,0|1,0,1]=4 238 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24376 [0,0,0,2,0,0|1,0,1]=4 239 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24385 [0,0,0,2,0,0|1,0,1]=4 240 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,2,0,0|2,0,0]=4 241 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,2,0,0|2,0,0]=4 242 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|2,0,0]=4 243 B9R2.1 N[C@H]1CC12CCCC2 F53640 [0,0,0,2,0,0|1,0,1]=4 244 B9R2.3 C1C[C@H]2CCN[C@H]2C1 E73393 [0,0,0,2,0,0|1,0,1]=4 245 B9R2.3 C1C[C@H]2CNC[C@@H]2C1 D76047 [0,0,0,2,0,0|1,0,1]=4 246 B9R2.7 O=C1CC2CNCC12 D72828 [0,0,0,2,0,0|2,0,0]=4 247 B9R2.7 O=C1C[C@@H]2COC[C@H]12 AT20274 [0,0,0,2,0,0|2,0,0]=4 248 B9R2.173 C1CNC2(C1)CCC2 E73324 [0,0,0,2,0,0|1,0,1]=4 249 B9R2.173 C1CNC2(C1)CCC2 P11719 [0,0,0,2,0,0|1,0,1]=4 250 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|2,0,0]=4 251 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|2,0,0]=4 252 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|2,0,0]=4 253 B9R2.91 C1CC(C2CNC2)C1 84145 [0,0,0,2,0,0|1,0,1]=4 254 B9R2.91 C1CC([C@@H]2CCN2)C1 E73406 [0,0,0,2,0,0|1,0,1]=4 255 B9R2.140 N[C@H]1CCC12CCC2 84850 [0,0,0,2,0,0|1,0,1]=4 256 B9R2.157 C1CC1CC2CNC2 E73032 [0,0,0,2,0,0|1,0,1]=4 257 B9R2.5 N[C@H]1CCCC12CC2 E73111 [0,0,0,2,0,0|1,0,1]=4 258 B9R2.5 N[C@H]1CCCC12CC2 F30522 [0,0,0,2,0,0|1,0,1]=4 259 B9R2.5 O[C@H]1CCCC12CC2 92335 [0,0,0,2,0,0|1,0,1]=4 260 B9R2.33 NC1CC2CCC2C1 51188 [0,0,0,2,0,0|1,0,1]=4 261 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|1,0,0]=3 262 B9R2.28 OCC[C@H]1CC12CC2 P14536 [0,0,0,2,0,0|1,0,1]=4