0 B6R0.1 CCC[C@H](N)CF AC5307 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC[C@H](N)CF AC7092 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CC[C@H](N)CCO AT14304 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CC[C@H](N)CCO AT22343 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CC[C@H](N)CCO AT22346 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CNC[C@H](O)CF AT22540 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 COC[C@@H](F)CN P20360 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 COC[C@@H](N)CO 91278 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 COC[C@@H](N)CO D75105 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 COC[C@@H](N)CO D75106 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 N[C@H](CF)CCO AT24448 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 N[C@H](CO)CCF E72842 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 N[C@H](CO)CCO D75100 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 OCC[C@H](O)CCl AT21895 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 BrCCC(Br)Br AT23421 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|0,0,3]=4 16 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 C[C@H](F)CCN D76461 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C[C@H](N)CCF AT11794 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 FC(F)CCBr AT23420 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.2 C=CCNOC AT24925 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.2 CCNCCS AT25561 [1,0,0,0,0,0|1,1,1]=4 24 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 CNCCCF AT22549 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 NCCCCF D75976 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 NCCCCS AT25915 [1,0,0,0,0,0|1,1,1]=4 28 B5R0.2 O=CCCCBr AT24507 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.2 [C-]#[N+]CCSC AT25542 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.3 CC[C@H](F)CN D76437 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 CC[C@H](N)CF AC5314 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CC[C@H](O)CN D72871 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 C[C@@H](CN)CO 70250 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.3 C[C@H](CN)CCCO AC9867 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.3 C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.7 CCC[C@H](O)COC D77523 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.11 CC(C)(CO)CCN AT20761 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.11 CCCC(C)(C)CO A10859 [0,1,0,0,0,0|0,0,2]=3 43 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 C=CN1CCCC1 C11100 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.1 FC[C@H]1CCCN1 P12557 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.1 NO[C@H]1CCOC1 97657 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.1 O=C[C@H]1CCOC1 58457 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.1 O=C[C@H]1CCOC1 58458 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,0,0,1,0,0|1,0,1]=3 61 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,0,0,1,0,0|1,0,1]=3 62 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,0,0,1,0,0|1,1,1]=4 65 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.4 CC1CNCC1N AT23640 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.4 CC1NCCC1O 94946 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.4 CC1NCCC1O AT22499 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,0,0,1,0,0|1,0,2]=4 70 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,0,0,1,0,0|1,0,2]=4 73 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.4 C[C@H]1CONC1=O D73580 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.4 O=C1CCNC1=O AT24684 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.5 CCC[C@@H]1ON1C C11697 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.6 NCCC1CNC1 AC9109 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.9 C#CC1CC1CO 70206 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.10 C#CC1CC(F)C1 94350 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.10 CC1CC(CBr)C1 57439 [0,0,0,1,0,0|1,0,1]=3 91 B7R1.10 CC1CC(CO)C1 57437 [0,0,0,1,0,0|0,0,2]=3 92 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.10 CSC1CC(O)C1 AT20178 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.10 NC1CC(CO)C1 P10843 [0,0,0,1,0,0|1,0,2]=4 99 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [0,0,0,1,0,0|1,0,2]=4 100 B7R1.21 CC1(CCN)N=N1 AT11951 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.21 CC1(CCN)N=N1 D72372 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.22 O=CC(=O)C1CC1 D74797 [0,0,0,1,0,0|1,0,1]=3 103 B7R1.22 OC[C@H](F)C1CC1 P14038 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.25 CC1(CN)CCC1 P11843 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.25 C[C@]1(CO)CCN1 P12582 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.25 NCC1(F)CCC1 D72737 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.25 NCC1(N)CCC1 O10312 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,0,0,1,0,0|3,0,0]=4 109 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.2 CC(N)CC(C)O AT23544 [1,1,0,0,0,0|0,0,1]=3 112 B6R0.2 C[C@H](N)CN(C)C AT11416 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.3 CC(C)[C@@H](F)CO AT16234 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.3 CC(C)[C@@H](N)CF AC4773 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.3 CC(C)[C@@H](N)CF AC5313 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.3 CC(C)[C@@H](N)CF AC7091 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.3 CC(C)[C@@H](N)CO AT21568 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.4 CC#CC[C@H](C)N AT21841 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|0,0,1]=3 120 B6R0.4 CCNCC(F)F AT23781 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.4 CNCCC(F)F AT22541 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.4 NCCCC(F)F D75977 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.5 CC(C)(F)CCN P14068 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.5 CC(C)(F)CCO AT22034 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.5 CC(C)(O)CCCl D86387 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.5 CC(F)(F)CCBr E73229 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.5 [2H]C([2H])(O)CCC D98200 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.6 CSCCN=C=O AT25543 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.6 NNCCCCO AB9420 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.6 O=CNCCCF AT22548 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.8 C=C[C@@](C)(N)CO D75096 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.8 CCC(C)(C)NN W10660 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,2,0,0,0,0|1,0,0]=3 134 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.19 CCC(C)CC(C)CC T71466 [0,2,0,0,0,0|1,0,1]=4 138 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,2,0,0,0,0|1,0,0]=3 139 B8R0.23 C[C@H](OC(F)F)C(=O)[O-] AT14900 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19559 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19560 [0,2,0,0,0,0|2,0,0]=4 142 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|1,0,0]=3 143 B8R0.6 CCCCOC(=O)C=O 39366 [0,2,0,0,0,0|1,0,1]=4 144 B8R0.8 C#CCC[C@H](N)C(=O)O C70033 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,2,0,0,0,0|1,0,1]=4 146 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [0,2,0,0,0,0|1,0,0]=3 147 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.25 CCCC[C@](C)(N)CO AT16769 [0,2,0,0,0,0|0,0,2]=4 149 B8R0.25 CCCC[C@](C)(N)CO AT16779 [0,2,0,0,0,0|0,0,2]=4 150 B8R0.12 CCC[C@](C)(N)C(=O)O AT19790 [0,2,0,0,0,0|0,0,0]=2 151 B6R1.2 Br[C@H]1CCNC1 D87521 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.3 OCC[C@H]1CO1 D72936 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.3 OCC[C@H]1CO1 D74321 [1,0,0,1,0,0|1,0,1]=4 154 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|0,0,1]=3 155 B6R1.5 NC1CC(N)C1 AT13082 [1,0,0,1,0,0|2,0,0]=4 156 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [1,0,0,1,0,0|2,0,0]=4 157 B6R1.5 OC1CC(Br)C1 AT17315 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [1,0,0,1,0,0|1,0,1]=4 159 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [1,0,0,1,0,0|1,0,1]=4 160 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [1,0,0,1,0,0|1,0,1]=4 161 B6R1.8 CC1CC1CN E73335 [1,0,0,1,0,0|1,0,1]=4 162 B6R1.8 COC1CC1N 92032 [1,0,0,1,0,0|2,0,0]=4 163 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [1,0,0,1,0,0|2,0,0]=4 164 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [1,0,0,1,0,0|2,0,0]=4 165 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [1,0,0,1,0,0|1,0,1]=4 166 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [1,0,0,1,0,0|1,0,1]=4 167 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [1,0,0,1,0,0|1,0,1]=4 168 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [1,0,0,1,0,0|1,0,1]=4 170 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.8 NC1CC1CF AT23905 [1,0,0,1,0,0|2,0,0]=4 172 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [1,0,0,1,0,0|2,0,0]=4 173 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [1,0,0,1,0,0|2,0,0]=4 174 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.8 OCC1CC1Cl AT20161 [1,0,0,1,0,0|2,0,0]=4 178 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [1,0,0,1,0,0|2,0,0]=4 179 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [1,0,0,1,0,0|2,0,0]=4 181 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.9 CC1(C)C[C@@H]1O P19509 [1,0,0,1,0,0|1,0,1]=4 183 B6R1.10 CC1(C)CCN1 AT11216 [1,0,0,1,0,0|1,0,1]=4 184 B6R1.10 CC1(N)CSC1 P12309 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [1,0,0,1,0,0|1,0,1]=4 186 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [1,0,0,1,0,0|1,0,1]=4 187 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.4 CC1CCC1N AT10478 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.4 CC1CCC1O AC8042 [1,0,0,1,0,0|0,0,2]=4 190 B6R1.4 NN1CCC1=O 33382 [1,0,0,1,0,0|2,0,0]=4 191 B6R1.4 N[C@H]1CCC1=O AT24523 [1,0,0,1,0,0|1,0,0]=3 192 B6R1.4 N[C@H]1CNC1=O P16451 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.4 N[C@H]1CNC1=O P18336 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.4 O=C1CC[C@@H]1O 94997 [1,0,0,1,0,0|1,0,0]=3 195 B6R1.4 O=C1NC[C@@H]1O D77141 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.6 C=CC1CNC1 AT25649 [1,0,0,1,0,0|2,0,0]=4 197 B6R1.6 NOC1CCC1 97654 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.6 O=CC1CSC1 AT24592 [1,0,0,1,0,0|1,0,0]=3 199 B6R1.7 C#CC1(C)CC1 C93202 [1,0,0,1,0,0|1,0,1]=4 200 B6R1.7 CC1(C=O)CC1 90939 [1,0,0,1,0,0|0,0,0]=2 201 B8R1.1 C[C@H]1CN[C@@H](CF)C1 W10040 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.1 N#CC1CCC(N)C1 AT11524 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.1 NCC1CCC(O)C1 D76686 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.1 OCC1CCC(O)C1 D76829 [0,1,0,1,0,0|0,0,2]=4 205 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,1,0,1,0,0|0,0,2]=4 206 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,1,0,1,0,0|0,0,2]=4 207 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.43 C#CC1CC1C(=O)O D73586 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O AT22711 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|0,0,0]=2 224 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|0,0,0]=2 225 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|0,0,0]=2 226 B8R1.43 COC1CC1C(=O)O C77471 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.43 NCC1CC1C(=O)O P17932 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.43 O=C(O)C1CC1CO D75978 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.51 C[C@@H]1CNC(C)(C)C1 D75540 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.51 C[C@H]1CC(C)(C)CN1 E72926 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.53 CC1(C)CC(C#N)C1 AT20265 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.62 CC1(C#N)CC(O)C1 AT12395 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.62 CC1CC(N)(CO)C1 AT19781 [0,1,0,1,0,0|0,0,2]=4 242 B8R1.65 CC1(C)C[C@]1(C)CN E73263 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.65 C[C@]1(C=O)CC1(F)F AT23961 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.2 C#C[C@@H]1CCCCO1 AT10034 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.2 C#C[C@@H]1CCCCO1 AT10035 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.2 C#C[C@@H]1CCCCO1 AT10036 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 C#C[C@H]1CCCOC1 AT10092 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.2 C#C[C@H]1CCCOC1 AT10093 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.2 FC[C@H]1CCCCN1 P14250 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.2 N#C[C@@H]1CCCCN1 P10260 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.2 N#C[C@@H]1CCCCN1 P14176 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.2 N#C[C@@H]1CCCCN1 P17878 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.2 NC[C@H]1CCCOC1 P12202 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.2 NC[C@H]1CCCOC1 P12792 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [0,1,0,1,0,0|0,0,0]=2 257 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [0,1,0,1,0,0|0,0,0]=2 258 B8R1.2 O=NN1CCNCC1 D76638 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT17299 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.5 CC1CSCCC1N 70873 [0,1,0,1,0,0|0,1,1]=4 267 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.5 N[C@H]1COCCC1=O E73090 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.10 OCCCC1CCC1 F52481 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.17 NCCC1CC1CO AT22591 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.22 C[C@H]1CCNCCN1 91998 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.22 C[C@H]1CCNCCN1 91999 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.22 C[C@H]1CCOCCN1 33399 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.47 C#CC1CC(CO)C1 AT13998 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.47 CN[C@H]1C[C@H](CO)C1 D96660 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.47 COC1CC(CBr)C1 C77424 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P13512 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.47 CO[C@H]1C[C@H](CN)C1 P13513 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P14792 [0,1,0,1,0,0|0,0,2]=4 292 B8R1.50 CC1CCC(C)C1N N13148 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.50 CN1CC[C@H](N)C1=O P18866 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,1,0,1,0,0|1,0,0]=3 296 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.52 C#CC1(N)CCCC1 AT26293 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.52 CC1(CBr)CCCC1 57443 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.52 CN[C@@]1(C)CCOC1 P11465 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.52 C[C@@]1(C#N)CCCN1 AT26904 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.52 C[C@@]1(C#N)CCCN1 AT26905 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.52 C[C@@]1(C#N)CCCN1 AT26906 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.52 C[C@]1(CBr)CCOC1 P13014 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.52 C[C@]1(CO)CCOC1 D96840 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.52 C[C@]1(CO)CCOC1 D96841 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.7 O=C(O)[C@@H]1CCNN1 AT21725 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.19 CC1(O)CCCC1N AT16546 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.19 C[C@H]1CCNS1(=O)=O AT12412 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.19 C[C@]1(N)CCNC1=O AT19090 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.19 C[C@]1(N)CONC1=O D73598 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.19 C[C@]1(O)CCNC1=O 94941 [0,1,0,1,0,0|1,0,0]=3 324 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,1,0,1,0,0|0,0,0]=2 325 B8R1.23 NC(=O)N1CC(N)C1 AT23063 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.23 NC(=O)N1CC(O)C1 AT23068 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 W15876 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|0,0,0]=2 329 B8R1.37 C=CC[C@H](O)C1CC1 C91071 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.54 CN(C(=N)N)C1CC1 W19446 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.78 C[C@H](N)C1(C)CCC1 AC9052 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.6 CCOC1CC(=O)C1 D75215 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.8 NOCC1CCCC1 Y11655 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.8 O=CC[C@H]1CCOC1 E72813 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.11 C#C[C@@H]1CCC[C@@H]1O AC1025 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P12194 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [0,1,0,1,0,0|0,0,2]=4 342 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.11 O=C1CCCN1CO D86008 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [0,1,0,1,0,0|0,0,2]=4 345 B8R1.72 CC1(C)CCCCN1 AT24207 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.72 C[C@]1(F)CCCNC1 73130 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.72 C[C@]1(O)CCCNC1 P19254 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.82 COCC1(C=O)CC1 D74919 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.60 CCC1(CO)CCC1 AT26658 [0,1,0,1,0,0|0,0,2]=4 350 B8R1.60 CSC1(C=O)CCC1 AT20158 [0,1,0,1,0,0|0,0,0]=2 351 B8R1.60 CSC1(CN)CCC1 AT20159 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.60 ICC1(CI)CCC1 AT23625 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.60 N#CC1(CN)CCC1 AT11214 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.60 O=CC1(CF)CCC1 AT19769 [0,1,0,1,0,0|0,0,0]=2 355 B8R1.60 OCC1(CF)CCC1 AT19768 [0,1,0,1,0,0|0,0,2]=4 356 B8R2.7 CC12CC(CN1)C2 C77410 [0,0,0,2,0,0|1,0,1]=4 357 B8R2.38 NC1CCC2CC12 P12183 [0,0,0,2,0,0|1,0,1]=4 358 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,0,0]=2 359 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,0]=3 360 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,0]=3 361 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|1,0,0]=3 362 B8R2.23 C1NCC2CC1C2 27063 [0,0,0,2,0,0|1,0,1]=4 363 B8R2.25 C1CC2CC2CN1 D73121 [0,0,0,2,0,0|1,0,1]=4 364 B8R2.26 NC1CC1C2CC2 AT24619 [0,0,0,2,0,0|1,0,1]=4 365 B8R2.45 N[C@H]1CC12CCC2 E73216 [0,0,0,2,0,0|1,0,1]=4 366 B8R2.1 C1C[C@@H](C2CC2)N1 P10347 [0,0,0,2,0,0|2,0,0]=4 367 B8R2.20 BrC[C@H]1CC12CC2 C77435 [0,0,0,2,0,0|1,0,1]=4 368 B8R2.20 NC[C@H]1CC12CC2 D73416 [0,0,0,2,0,0|1,0,1]=4 369 B8R2.31 BrCC12CC(C1)C2 P16481 [0,0,0,2,0,0|1,0,1]=4 370 B8R2.31 N#CC12CC(C1)C2 D79690 [0,0,0,2,0,0|1,0,1]=4