0 B8R0.6 C#CCOC[C@@H](O)CO C14643 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 CC[C@H](C)CCCCO T72651 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C=CCCCCCCl I11994 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.1 C=CCCCCCO F14745 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.1 CNCCCCCO AT11157 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.1 CNCCCCCO AT11158 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.1 COCCNCCO AT12488 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.1 COCCOCCN F50617 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.1 COCCOCCS AT10124 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.1 NCCSCCCO AT25557 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.1 O=CCCCCCCl 24359 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 OCCCCCCI AT14272 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.1 OCCCNCCO FD7298 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.3 CC#CC[C@@H](O)CC T72024 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.3 CCCC[C@H](N)CO D75114 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.3 CCCC[C@H](N)CO H10583 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.3 CC[C@H](O)CCC#N F51112 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 CC(C)CSCCN AT25570 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|1,1,1]=4 24 B7R0.4 CN(C)CCCCN V10255 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,0,0,0,0|2,0,1]=4 26 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.5 CCOC(=O)CCCNC AB10379 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.34 CCCC(C)CC(C)CC T70352 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.46 COCCCCC(=O)OC AC9127 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.46 OCCCCC[C@H](O)CO T72391 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.50 CCN(CC)CCCCBr AC6971 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.50 CCN(CC)CCCCCl AC2851 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.50 CCN(CCCCO)N=O T72602 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.1 CC1CCC(CBr)CC1 72498 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.1 CC1CCC(CCl)CC1 AC2846 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.1 CCN1CCC(N)CC1 75204 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.1 CNC1CCC(=O)CC1 AB9600 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.1 CON1CCC(O)CC1 92074 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.1 N#CC1CCC(N)CC1 F18888 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.1 NCC1CCC(F)CC1 66265 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.1 NCC1CCC(O)CC1 C77951 [0,0,0,1,0,0|1,0,0]=2 52 B9R1.1 O=C1CCC(CBr)CC1 C77512 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.2 CC1CCCC(CO)N1 P11618 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.2 CC1CNCC(CO)C1 P19048 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.2 CCN1CCN[C@@H](C)C1 F13062 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.2 CC[C@H]1COC[C@H](C)N1 F18905 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.2 CN1CCC[C@H](CN)C1 D78816 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.2 CN1CCC[C@H](CN)C1 P11113 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.3 CC1CCCC(C)C1C T71900 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.3 C[C@H]1CNC[C@@H](C)N1C H11573 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.5 NC1COCOCC1O F51261 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.5 NC1COCOCC1O F51262 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|1,0,2]=4 67 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.7 COCC1CC(O)CN1 AT22824 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.7 COC[C@@H]1C[C@H](O)CN1 AT22827 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.7 COC[C@H]1C[C@H](O)CN1 AT22810 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.7 C[C@H]1CCN(CCO)C1 96739 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.7 N#CCN1CC[C@H](O)C1 D87581 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.7 N#CCN1CC[C@H](O)C1 S11124 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.7 NCCN1CC[C@H](O)C1 AC8419 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.7 O[C@H]1CCN(CCCl)C1 E70037 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.11 C=C[C@@H](O)C1CCCC1 F52271 [0,0,0,1,0,0|0,0,2]=3 77 B9R1.11 CCC(=O)C1CCCC1 F53464 [0,0,0,1,0,0|0,0,2]=3 78 B9R1.11 CCC(C)C1CCNC1 D72006 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.11 CCC(O)C1CCNC1 F30893 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [0,0,0,1,0,0|1,0,0]=2 84 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.21 CCN1CC[C@H](CN)C1 F50231 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.21 CCN1CC[C@H](CN)C1 F50301 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.49 OC1CCC(O)CSC1 F51867 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.89 CN[C@H]1CCCCNC1 97599 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.89 CN[C@H]1CCCCNC1 97600 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.89 O=CC1CCCCCC1 AT13628 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.118 C#C[C@]1(O)CCCNC1 91402 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.118 CC1(CN)CCCCC1 71856 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.118 CC1(CO)CCNCC1 53326 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.118 COC1(C)CCNCC1 F13725 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.118 C[C@]1(CO)CCCNC1 55565 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.118 C[C@]1(CO)CCCNC1 55575 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.118 FC1(CBr)CCCCC1 C93351 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.118 NC1(CO)CCCCC1 D74962 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.118 NC1(CO)CCNCC1 D75162 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.118 NCC1(F)CCOCC1 85782 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.118 NCC1(N)CCCCC1 D73325 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.118 NCC1(O)CCCCC1 C78197 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.118 NCC1(O)CCNCC1 F30912 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.118 OCC1(F)CCCCC1 26699 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.118 OCC1(F)CCNCC1 P17075 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.132 C[C@@H]1CC[C@H](CN)N1C AT23119 [0,0,0,1,0,0|3,0,0]=4 111 B6R0.6 CCNCCSC AT25567 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.6 CNCCCOC F15969 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.6 COCCCCN C77605 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 NCCSCCO AT25550 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.6 OCCNCCO AB10274 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.6 OCCOCCI C77657 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.1 CCC[C@H](C)CBr S11885 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.1 CC[C@H](N)CCO AT22371 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.1 CC[C@H](N)COC D87652 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.1 CC[C@H](N)COC D87653 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.1 CC[C@H](O)CC#N A50899 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.1 CNC[C@H](O)CO 56523 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.1 CNC[C@H](O)CO 56531 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.1 COC[C@@H](O)CN 94766 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.1 COC[C@@H](O)CN 98632 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.1 O[C@H](CCl)CCCl T70626 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 CCNC[C@H](C)O 91070 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.4 C[C@H](N)CCCO AT20758 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 C[C@H](O)CCC#N F51113 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.4 C[C@H](O)CCCBr A11305 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.4 C[C@H](O)CCCN AT20756 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.4 [2H][C@H](Br)CCCC D99408 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.1 CCCC[C@H](N)CCO D73273 [1,1,0,0,0,0|1,0,0]=3 135 B8R0.4 CCC#CCCCCC T72039 [1,1,0,0,0,0|0,0,1]=3 136 B8R0.4 CNCCCCCCO AT11159 [1,1,0,0,0,0|1,0,0]=3 137 B8R0.4 COCCNCCCO FD7300 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.4 ClCCCCCCCCl T71360 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.4 NCCCCCCCO AT22494 [1,1,0,0,0,0|1,0,0]=3 140 B8R0.4 OCCCOCCCCl D84666 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.7 CNCCCCN(C)C F51688 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [1,1,0,0,0,0|1,0,0]=3 143 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,1,0,0,0,0|1,0,0]=3 144 B8R0.3 CCCC(C)C(C)CC T71461 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.3 CCCC(C)C(N)CO AT16873 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|0,0,2]=4 147 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,1,0,0,0,0|1,0,0]=3 148 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.9 CCC(C)CCC(C)N C14677 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.19 CCC(C)CC(N)CO AT16871 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.19 O[C@H](CCl)C[C@H](O)CCl F18468 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.25 CCCC[C@](C)(N)CO AT11270 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.5 CCCC(=O)CC(C)C T72726 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.21 [2H]C([2H])(Br)CCCCC D99038 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.28 CC(C)CNCC(C)C A11894 [1,1,0,0,0,0|2,0,0]=4 161 B10R0.3 CCOC(C)COCC(C)O F20819 [0,2,0,0,0,0|2,0,0]=4 162 B10R0.1 CCOC(=O)CCCCCN 77390 [0,2,0,0,0,0|0,0,2]=4 163 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,2,0,0,0,0|0,0,2]=4 164 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,2,0,0,0,0|1,0,1]=4 165 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,2,0,0,0,0|0,0,0]=2 166 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,2,0,0,0,0|0,0,2]=4 167 B10R0.41 CCN(CC)CCCCCBr AC5247 [0,2,0,0,0,0|2,0,0]=4 168 B10R0.41 CCN(CC)CCCCCCl AC7200 [0,2,0,0,0,0|2,0,0]=4 169 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,2,0,0,0,0|1,0,0]=3 170 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,2,0,0,0,0|1,0,0]=3 171 B10R0.86 CN[C@@H](CCCCN)C(=O)O AT16724 [0,2,0,0,0,0|2,0,0]=4 172 B8R1.2 BrCC1CCNCC1 30601 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.2 CC[C@H]1CNCCO1 D75750 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.2 CC[C@H]1COCCN1 F19074 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.2 CNC1CCCCC1 S12279 [1,0,0,1,0,0|1,0,0]=3 177 B8R1.2 CNC1CCNCC1 63132 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 CNC1CCSCC1 AT10410 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.2 CSC1CCNCC1 32247 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 CSC1CCNCC1 P10626 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.2 ICC1CCNCC1 AC3914 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.2 SCC1CCOCC1 P16932 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.5 CC1CCNCC1O 38881 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.5 CC1COCCC1N F13602 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.5 CC1NCCCC1O W19147 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.5 CC1NCCSC1C AT25273 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.5 NC1CCCCC1O F13372 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.8 CCC[C@H]1CCCN1 N12832 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.8 CCN[C@H]1CCNC1 T71595 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.8 CCN[C@H]1CCNC1 T72393 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.8 CCN[C@H]1CCOC1 P12313 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.8 CNCC1CCCC1 A11546 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.8 COC[C@H]1CCCN1 C77885 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.8 NCCC1CCCC1 23497 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.8 NCC[C@H]1CCCO1 AT11471 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.8 OCC[C@H]1CCCO1 56770 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.8 OCC[C@H]1CCNC1 C16745 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.8 OCC[C@H]1CCNC1 D84329 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.10 CNCCC1CCC1 P12905 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.10 CNCC[C@H]1CCN1 F50261 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.10 COCC[C@H]1CCN1 F50258 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.10 COCC[C@H]1CCN1 F50334 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.11 CC1COCC1CCl 50130 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.11 CC1COCC1CO 50120 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.22 C[C@H]1CCCCCN1 AT22104 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.22 C[C@H]1CCNCCN1 AT20047 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.22 C[C@H]1CCNCCN1 AT20048 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.22 C[C@H]1CCNCCN1 AT20119 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.22 C[C@H]1CNCCCN1 70846 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.22 C[C@H]1CNCCCN1 AT20050 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.22 C[C@H]1COCCCN1 AT11435 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.22 F[C@H]1CCCNCC1 72531 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.22 I[C@H]1CCCOCC1 55131 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.22 N[C@H]1CCCCNC1 F13105 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.22 O[C@H]1CCCCNC1 73004 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.22 O[C@H]1CCCOCC1 55130 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.49 C1CNCCCNC1 C90170 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.1 CCN1CC[C@H](N)C1 P11185 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.1 CCN1CC[C@H](N)C1 P12169 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.1 CCN1CC[C@H](N)C1 P12170 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|0,0,2]=4 236 B8R1.1 NCC1CCC(F)C1 D72883 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.1 OCC1CCC(F)C1 AT22250 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.1 OC[C@H]1C[C@H](O)CN1 F13011 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.3 CC1CCN(N)CC1 F13743 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.3 CN1CCC(Br)CC1 AC6332 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.3 CN1CCC(I)CC1 D97152 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.3 CN1CCC(S)CC1 AT13364 [1,0,0,1,0,0|1,1,0]=4 243 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.3 OC1CCC(Br)CC1 P19527 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|0,0,2]=4 247 B8R1.38 NC[C@H](O)C1CCC1 AT11473 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.38 N[C@@H](CO)C1CCC1 N11362 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.40 N[C@H](CO)CC1CC1 D75110 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.40 N[C@H](CO)CC1CC1 D75111 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.40 N[C@H](CO)CC1CC1 N13000 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.41 CCCCC1(O)CC1 AT11369 [1,0,0,1,0,0|0,0,0]=2 253 B8R1.50 N[C@@H]1CC[C@@H](O)[C@H]1O AT10559 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.52 NCC1(F)CCCC1 85744 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.52 NC[C@]1(O)CCOC1 W16059 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.52 OCC1(F)CCCC1 85748 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.52 OC[C@]1(O)CCNC1 P13142 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.4 CC1CCNC(C)C1 D87679 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.4 CC1CNCC(C)S1 AT10825 [1,0,0,1,0,0|1,1,0]=4 260 B8R1.4 CC1CNC[C@H](C)O1 F18928 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.4 CC1COC[C@H](C)N1 F18864 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.4 CC1COC[C@H](C)N1 F18890 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.4 CC1COC[C@H](C)N1 F18927 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.4 CC1COC[C@H](C)N1 F18931 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.4 CC1CSCC(C)N1 AT10826 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.4 CN1CCC[C@H](N)C1 F13063 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|0,0,2]=4 270 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [1,0,0,1,0,0|1,0,0]=3 276 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.4 NC1COCC(O)C1 W16026 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [1,0,0,1,0,0|1,0,0]=3 281 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.6 CCC=C1CC(O)C1 AT14798 [1,0,0,1,0,0|0,0,2]=4 285 B8R1.6 CCCN1CC(O)C1 P19017 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.6 N#CCC1CC(O)C1 AT12372 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.7 CC(C)C1CCCC1 T72412 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 CC(N)C1CCCO1 D75138 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.7 CC(O)C1CCNC1 72765 [1,0,0,1,0,0|1,0,0]=3 292 B8R1.7 CC(O)C1CCNC1 W10547 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.7 C[C@H](N)C1CCCC1 79900 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.7 C[C@H](N)C1CCCC1 79901 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.7 C[C@H](N)C1CCCO1 79855 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.7 C[C@H](N)C1CCCO1 79856 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.7 C[C@H](N)C1CCCO1 79857 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.7 C[C@H](N)C1CCCO1 79858 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.7 C[C@H](N)C1CCOC1 79845 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 C[C@H](N)C1CCOC1 79846 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.7 C[C@H](N)C1CCOC1 79847 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.7 C[C@H](N)C1CCOC1 79848 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.19 CC1(C)CCC[C@@H]1N P20914 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.34 CC(C)CC1CNC1 E71784 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.34 CC(C)NC1CCC1 AT13081 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.34 C[C@H](N)CC1CCC1 55436 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.35 CC(C)CNC1CC1 AC5587 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.72 CC1(C)CCCCN1 AT24213 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.72 CC1(C)CCCNC1 F30179 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.72 CC1(N)CCCCC1 W10115 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.72 CC1(N)CCNCC1 D75159 [1,0,0,1,0,0|2,0,0]=4 314 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 D78627 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.13 C[C@H](N)C1CCN(C)CC1 C77757 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.13 N[C@H]1CC[C@H](C(F)F)CC1 D97105 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.13 OC1CCC(C(F)F)CC1 AT12694 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,1,0,1,0,0|1,0,1]=4 320 B10R1.171 CC1(C)CNC[C@H](CO)O1 SC5117 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.171 CC1(C)COC[C@H](CI)O1 92524 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.171 CC1(C)COC[C@H](CN)O1 92526 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.171 CC[C@H]1COCC(C)(C)N1 F18850 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.10 CCCN1CCC[C@H](O)C1 AC5777 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,1,0,1,0,0|0,0,2]=4 326 B10R1.11 N[C@@H](CCO)C1CCCC1 N12965 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|0,0,2]=4 328 B10R1.85 NCCN1CCCCCC1 C11320 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.85 OCCC1CCCCCC1 E10088 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.96 CCN1CC[C@H](CCN)C1 F50257 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.96 CCN1CC[C@H](CCN)C1 F50333 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.377 CCC[N+]1(C)CCCCC1 T73061 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.377 COCC1(O)CCNCC1 C93344 [0,1,0,1,0,0|1,0,0]=3 334 B10R1.377 NC1(CCO)CCCCC1 F51933 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.377 NCCC1(O)CCOCC1 C91327 [0,1,0,1,0,0|1,0,0]=3 336 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77682 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77683 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.15 CC[C@H](C)N1CCNCC1 D76625 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.15 CC[C@H](N)C1CCOCC1 53163 [0,1,0,1,0,0|1,0,0]=3 340 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [0,1,0,1,0,0|0,0,0]=2 341 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [0,1,0,1,0,0|2,0,0]=4 342 B10R1.15 OC[C@H](F)C1CCOCC1 C93350 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.176 CCN1CC[C@@H](N)[C@@H](F)C1 F50150 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.26 CC1(C)CCC(CN)CC1 W18590 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.26 CNC1CCC(F)(F)CC1 AT11408 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.26 NCC1CCC(F)(F)CC1 E72828 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.3 C#CC1CCC(CO)CC1 58319 [0,1,0,1,0,0|0,0,2]=4 348 B10R1.3 CCC1CCC(C=O)CC1 79556 [0,1,0,1,0,0|0,0,1]=3 349 B10R1.3 NC[C@H]1CC[C@H](CN)CC1 T70001 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.473 CN1CCC(O)(CN)CC1 C15383 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.27 CN[C@@H](C)CC1CCCC1 D84278 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.1 CCCC1CCC(N)CC1 T71534 [0,1,0,1,0,0|1,0,0]=3 353 B10R1.1 NCCC1CCC(N)CC1 D88527 [0,1,0,1,0,0|1,0,0]=3 354 B10R1.1 NCCN1CCC(O)CC1 52131 [0,1,0,1,0,0|1,0,0]=3 355 B10R1.1 OC1CCN(CCCl)CC1 D88174 [0,1,0,1,0,0|1,0,0]=3 356 B10R1.1 OC1CCN(CCF)CC1 P10752 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.161 CNC1CCCCCCC1 L10188 [0,1,0,1,0,0|1,0,0]=3 358 B10R1.161 O=NN1CCCCCCC1 T72064 [0,1,0,1,0,0|1,0,1]=4 359 B10R1.172 NC[C@H]1CCC[C@@H](CN)C1 T70031 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.113 CC1COCC(C(C)C)N1 F18957 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,1,0,1,0,0|1,0,1]=4 362 B10R1.262 CCOC1CC(N)C1(C)C P13632 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.363 OC1(C(F)F)CCNCC1 P16575 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.221 COC1(OC)CC[C@@H]1CN P14257 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.221 COC1(OC)CC[C@@H]1CO P14256 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.478 CC[C@]1(CO)CCCN1C AT21804 [0,1,0,1,0,0|1,0,0]=3 367 B10R1.487 CCC1(CC)CCNCC1 AC6061 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.487 COC1(CN)CCOCC1 65994 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.487 NCC1(CO)CCCCC1 P18343 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.487 OCC1(CO)CCCCC1 A50718 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.487 OCC1(CO)CCNCC1 P11619 [0,1,0,1,0,0|2,0,0]=4 372 B10R2.109 OCC1CCC2CC2C1 AT14844 [0,0,0,2,0,0|2,0,0]=4 373 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|0,0,2]=4 374 B10R2.178 O[C@H]1CC[C@H]2CC[C@@H]1N2 D79171 [0,0,0,2,0,0|1,0,0]=3 375 B10R2.335 NC1CCC2(CC1)CC2 84848 [0,0,0,2,0,0|1,0,0]=3 376 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [0,0,0,2,0,0|1,0,0]=3 377 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [0,0,0,2,0,0|1,0,0]=3 378 B10R2.71 OC1CC2CCC(C1)C2 54788 [0,0,0,2,0,0|2,0,0]=4 379 B10R2.408 C1CC2CNCC(C1)C2 32763 [0,0,0,2,0,0|2,0,0]=4 380 B10R2.408 C1CC2COCC(C1)N2 D72966 [0,0,0,2,0,0|2,0,0]=4 381 B10R2.41 CN1C2CCCC1CC2 F14365 [0,0,0,2,0,0|2,0,0]=4 382 B10R2.14 N[C@H]1CCN(C2CC2)C1 78560 [0,0,0,2,0,0|2,0,0]=4 383 B10R2.14 O=C1CC[C@H](C2CC2)C1 33465 [0,0,0,2,0,0|0,0,2]=4 384 B10R2.32 NC1CCN2CCCC12 C77499 [0,0,0,2,0,0|2,0,0]=4 385 B10R2.32 OC1CCC2CNCC12 C14365 [0,0,0,2,0,0|1,0,0]=3 386 B10R2.32 OC1CCC2CNCC12 F14273 [0,0,0,2,0,0|1,0,0]=3 387 B10R2.32 OC1CCN2CCCC12 D96831 [0,0,0,2,0,0|1,0,0]=3 388 B10R2.32 O[C@H]1CC[C@H]2CNC[C@@H]12 C77606 [0,0,0,2,0,0|1,0,0]=3 389 B10R2.32 O[C@H]1CC[C@H]2CNC[C@@H]12 P14020 [0,0,0,2,0,0|1,0,0]=3 390 B10R2.332 C[C@H]1CC2(CCC2)CN1 AT11708 [0,0,0,2,0,0|2,0,0]=4 391 B10R2.332 N[C@H]1CCC2(COC2)C1 AT10499 [0,0,0,2,0,0|2,0,0]=4 392 B10R2.332 O[C@@H]1COC2(CNC2)C1 P20419 [0,0,0,2,0,0|2,0,0]=4 393 B10R2.3 NC1CCC12CCOC2 84549 [0,0,0,2,0,0|2,0,0]=4 394 B10R2.3 O=C1CCC12CCCC2 84855 [0,0,0,2,0,0|0,0,2]=4 395 B10R2.3 O[C@H]1CCC12CCCC2 84854 [0,0,0,2,0,0|0,0,0]=2 396 B10R2.16 NC1([C@H]2CCNC2)CC1 94857 [0,0,0,2,0,0|2,0,0]=4 397 B10R2.484 C1CCC2(CC1)CNC2 P11103 [0,0,0,2,0,0|2,0,0]=4 398 B10R2.484 C1CCC2(CC1)COC2 F52388 [0,0,0,2,0,0|2,0,0]=4 399 B10R2.484 C1CNC[C@@]2(C1)CCN2 11111 [0,0,0,2,0,0|2,0,0]=4 400 B10R2.484 C1COC[C@@]2(C1)CCN2 P11716 [0,0,0,2,0,0|2,0,0]=4 401 B10R2.320 NC1CC2OCCCC12 33458 [0,0,0,2,0,0|2,0,0]=4 402 B10R2.320 NC1CC2OCCCC12 70860 [0,0,0,2,0,0|2,0,0]=4 403 B10R2.475 C1CNCCC2(C1)CC2 AT20039 [0,0,0,2,0,0|2,0,0]=4