0 B8R0.4 C=CCCNCCOC E72576 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 CCC#CCCCCC T72039 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 CNCCCCCCO AT11159 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.4 COCCNCCCO FD7300 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.4 ClCCCCCCCCl T71360 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.4 NCCCCCCCO AT22494 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.4 OCCCOCCCCl D84666 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 C=CCCCCCCl I11994 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 C=CCCCCCO F14745 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.1 CNCCCCCO AT11157 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.1 CNCCCCCO AT11158 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.1 COCCNCCO AT12488 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 COCCOCCN F50617 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.1 COCCOCCS AT10124 [1,0,0,0,0,0|2,1,0]=4 14 B7R0.1 C\C=C/CCCCC T72919 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.1 NCCSCCCO AT25557 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.1 O=CCCCCCCl 24359 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.1 OCCCCCCI AT14272 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 OCCCNCCO FD7298 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.1 OCC\C=C\CCO AT19969 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.2 CC(C)CCCCCCO D98911 [0,1,0,0,0,0|0,0,0]=1 21 B9R0.2 CNCCCCCC(=O)O AT21580 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.2 NCCCCCCC(N)=O AC7480 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.18 CCCCC(C)CCCC T71863 [0,1,0,0,0,0|1,0,0]=2 24 B9R0.45 C=CCCCCCCCC T73018 [0,1,0,0,0,0|1,0,0]=2 25 B9R0.45 CC#CCCCCCCC H11435 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.45 C\C=C/CCCCCCC T70533 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.45 NCCCCNCCCN T72522 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.45 NCCOCCOCCO D84703 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.45 NCCSCCSCCN AT25576 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.45 OCCOCCOCCF A10821 [0,1,0,0,0,0|2,0,0]=3 31 B9R0.45 OCCOCCOCCS C70223 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,1,0,0,0,0|0,0,0]=1 34 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,1,0,0,0,0|0,0,0]=1 35 B9R0.46 COC(=O)COCCCO 56926 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.46 OCCCCC[C@H](O)CO T72391 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.5 NC1COCOCC1O F51261 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.5 NC1COCOCC1O F51262 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.8 C#CCC1CCNCC1 AT11974 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.8 C#CC[C@H]1CCCNC1 AT11977 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [0,0,0,1,0,0|1,0,2]=4 46 B9R1.8 CCCC1CCNCC1 C75224 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.8 CCC[C@H]1CCCCN1 F16887 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.8 CCNC1CCNCC1 AC8313 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.8 CNCC1CCCCC1 P19116 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.8 CNCC1CCOCC1 71672 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.8 CNC[C@H]1CCCCO1 F16332 [0,0,0,1,0,0|1,0,0]=2 52 B9R1.8 COC[C@H]1CCCCN1 31181 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.8 COC[C@H]1CCCCN1 Y11003 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.8 COC[C@H]1CCCNC1 C78400 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.8 N#CCC1CCNCC1 32762 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.8 N#CC[C@H]1CCCOC1 AT23687 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.8 N#CC[C@H]1COCCO1 AT10085 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.8 NCCC1CCNCC1 65278 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.8 NCC[C@H]1CCCCN1 D76613 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.8 NCC[C@H]1CCCNC1 D76642 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.8 NCC[C@H]1COCCN1 A50776 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.8 NCC[C@H]1COCCN1 C77968 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.8 NNCC1CCCCC1 P11239 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.8 OCCN1CCCCO1 72896 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.8 OCC[C@H]1CNCCN1 27756 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.8 OCC[C@H]1CNCCO1 A50782 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.8 OCC[C@H]1COCCN1 A50775 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.8 OCC[C@H]1COCCN1 C78196 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.12 BrCCCN1CCCC1 D88134 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.12 C#CCCC1OCCO1 AT14280 [0,0,0,1,0,0|1,0,2]=4 75 B9R1.12 CCCC[C@H]1CCCN1 N12661 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.12 CNCCC1CCCC1 P11107 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.12 CNCC[C@H]1CCCO1 F20641 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.12 NCCCC1CCCC1 F20043 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.12 NCCOC1CCCC1 AC3097 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.12 OCCO[C@H]1CCNC1 AT22525 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.14 OCC1=C(CO)CCC1 C92113 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.14 OC[C@@H]1CNC[C@@H]1CO AT10998 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.14 OC[C@H]1CNC[C@@H]1CO AT10997 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.15 CCC1CCCCC1C T72380 [0,0,0,1,0,0|1,0,0]=2 85 B9R1.15 CCC1CCCCC1O D90497 [0,0,0,1,0,0|0,0,0]=1 86 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.15 CN1CCOC[C@@H]1CN 27733 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.15 CN1CCOC[C@@H]1CN 77625 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.15 CN[C@H]1CNCC[C@H]1C 44571 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.15 COC1CCCCC1N C77572 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.15 COC1CNCCC1C 33459 [0,0,0,1,0,0|3,0,0]=4 92 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.15 CO[C@H]1CCOC[C@@H]1N AT13729 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.15 CO[C@H]1COCC[C@@H]1N AT20176 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.15 CO[C@H]1COCC[C@@H]1N P15681 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.15 N#CC1CCCCC1N AT21039 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.15 NCC1CCCCC1O C77667 [0,0,0,1,0,0|1,0,0]=2 101 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [0,0,0,1,0,0|1,0,0]=2 103 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,0,0,1,0,0|1,0,1]=3 104 B9R1.15 OCC1CCNCC1O 33470 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.15 OCC1CNCCC1O 33707 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [0,0,0,1,0,0|2,0,0]=3 107 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.33 CN1CCC[C@@H]1CCN P11249 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.33 CN1CCC[C@@H]1CCN P15959 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.33 CN1CCC[C@@H]1CCN P17927 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.33 COC[C@H]1CCCN1N 80504 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.33 COC[C@H]1CCCN1N D87929 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.83 OCCCOC[C@H]1CO1 AT11748 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.89 CN[C@H]1CCCCNC1 97599 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.89 CN[C@H]1CCCCNC1 97600 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.89 O=CC1CCCCCC1 AT13628 [0,0,0,1,0,0|0,0,2]=3 118 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,0,0,1,0,0|1,0,0]=2 119 B9R1.103 C1CSCCSCCS1 T72788 [0,0,0,1,0,0|2,1,0]=4 120 B6R0.6 CCNCCSC AT25567 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.6 CNCCCOC F15969 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.6 COCCCCN C77605 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.6 NCCSCCO AT25550 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.6 OCCNCCO AB10274 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.6 OCCOCCI C77657 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.1 CCCC[C@H](N)CCO D73273 [1,1,0,0,0,0|0,0,0]=2 128 B8R0.6 C#C[C@@H](O)CCCCC 51060 [1,1,0,0,0,0|0,0,2]=4 129 B8R0.6 C#C[C@@H](O)CCCCC T72294 [1,1,0,0,0,0|0,0,2]=4 130 B8R0.6 CC[C@H](C)CCCCO T72651 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.7 CCCCNCC(=O)O D87235 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.7 CNCCCCN(C)C F51688 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.7 NC(=O)CCCCCO AC6170 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.7 OCCCCOC(F)F 89957 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.7 OCCCOCC(F)F AT25477 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,1,0,0,0,0|0,0,0]=2 139 B10R0.3 CCOC(C)COCC(C)O F20819 [0,2,0,0,0,0|2,0,0]=4 140 B10R0.4 CC(C)CCCCCCC=O D86949 [0,2,0,0,0,0|0,0,1]=3 141 B10R0.4 CC(C)CCCCCCCO D98228 [0,2,0,0,0,0|0,0,0]=2 142 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,2,0,0,0,0|0,0,2]=4 143 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,2,0,0,0,0|0,0,1]=3 144 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,2,0,0,0,0|1,0,1]=4 145 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,2,0,0,0,0|1,0,1]=4 146 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,2,0,0,0,0|1,0,1]=4 147 B10R0.22 [2H]C([2H])(I)CCCCCCC D98871 [0,2,0,0,0,0|1,0,0]=3 148 B10R0.22 [2H]C([2H])(O)CCCCCCC D98285 [0,2,0,0,0,0|0,0,0]=2 149 B10R0.22 [2H]C([2H])([2H])CCCCCCBr D98398 [0,2,0,0,0,0|2,0,0]=4 150 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,2,0,0,0,0|0,0,0]=2 151 B10R0.74 COC(=O)CCCCCCN F19219 [0,2,0,0,0,0|1,0,1]=4 152 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,2,0,0,0,0|0,0,0]=2 153 B10R0.1 CCOC(=O)CCCCCN 77390 [0,2,0,0,0,0|1,0,1]=4 154 B10R0.1 CCOC(=O)COCCCO S11911 [0,2,0,0,0,0|1,0,1]=4 155 B10R0.91 CCCCC[C@@H](O)CCCC T70997 [0,2,0,0,0,0|1,0,0]=3 156 B10R0.71 CCOCCNCCOCC D88790 [0,2,0,0,0,0|2,0,0]=4 157 B10R0.71 NCCCNCCNCCN C11288 [0,2,0,0,0,0|2,0,0]=4 158 B10R0.71 OCCOCCCCCCCl D71999 [0,2,0,0,0,0|0,0,0]=2 159 B10R0.71 OCCSCCCSCCO T70373 [0,2,0,0,0,0|1,0,0]=3 160 B10R0.71 SCCSCCCSCCS T70668 [0,2,0,0,0,0|1,1,0]=4 161 B10R0.41 CCN(CC)CCCCCBr AC5247 [0,2,0,0,0,0|2,0,0]=4 162 B10R0.41 CCN(CC)CCCCCCl AC7200 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.2 BrCC1CCNCC1 30601 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.2 CC[C@H]1CCCCN1 N11156 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.2 CC[C@H]1CNCCO1 D75750 [1,0,0,1,0,0|1,0,0]=3 166 B8R1.2 CC[C@H]1COCCN1 F19074 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.2 CNC1CCCCC1 S12279 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.2 CNC1CCNCC1 63132 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.2 CNC1CCSCC1 AT10410 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.2 CSC1CCNCC1 32247 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.2 CSC1CCNCC1 P10626 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.2 ClC[C@H]1CNCCO1 F13328 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.2 ICC1CCNCC1 AC3914 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.2 OC[C@H]1CNCCN1 I11797 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.2 OC[C@H]1COCCO1 D82528 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.2 SCC1CCOCC1 P16932 [1,0,0,1,0,0|1,1,0]=4 177 B8R1.5 CC1CCNCC1O 38881 [1,0,0,1,0,0|1,0,0]=3 178 B8R1.5 CC1COCCC1N F13602 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.5 CC1NCCCC1O W19147 [1,0,0,1,0,0|1,0,0]=3 180 B8R1.5 CC1NCCSC1C AT25273 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [1,0,0,1,0,0|1,0,0]=3 182 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.5 NC1CCCCC1O F13372 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.5 NC1CCOCC1O AT20154 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.8 CCCC1=NCCO1 T72500 [1,0,0,1,0,0|1,0,1]=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 N#CC[C@H]1CCCO1 35201 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.8 NCCC1CCCC1 23497 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.8 NCC[C@H]1CCCO1 AT11471 [1,0,0,1,0,0|1,0,0]=3 204 B8R1.8 OCC[C@H]1CCCO1 56770 [1,0,0,1,0,0|1,0,0]=3 205 B8R1.8 OCC[C@H]1CCNC1 C16745 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.8 OCC[C@H]1CCNC1 D84329 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.10 CNCCC1CCC1 P12905 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.10 CNCC[C@H]1CCN1 F50261 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.10 COCC[C@H]1CCN1 F50258 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.10 COCC[C@H]1CCN1 F50334 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.10 OCCOC1COC1 C93352 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.11 C#C[C@H]1CCC[C@@H]1O AC6480 [1,0,0,1,0,0|0,0,2]=4 213 B8R1.11 CC1COCC1CCl 50130 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.11 CC1COCC1CO 50120 [1,0,0,1,0,0|1,0,0]=3 215 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.11 NC[C@@H]1COC[C@@H]1O P18479 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.11 NC[C@H]1COC[C@@H]1O P18478 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.11 OC[C@H]1CNC[C@@H]1O AT10999 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.12 C#CC1CCC1CO 58315 [1,0,0,1,0,0|0,0,2]=4 225 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.22 C[C@H]1CCCCCN1 AT22104 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.22 C[C@H]1CCNCCN1 AT20047 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.22 C[C@H]1CCNCCN1 AT20048 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.22 C[C@H]1CCNCCN1 AT20119 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.22 C[C@H]1CNCCCN1 70846 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.22 C[C@H]1CNCCCN1 AT20050 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.22 C[C@H]1COCCCN1 AT11435 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.22 F[C@H]1CCCNCC1 72531 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.22 I[C@H]1CCCOCC1 55131 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.22 N[C@H]1CCCCNC1 F13105 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.22 O[C@H]1CCCCNC1 73004 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.22 O[C@H]1CCCOCC1 55130 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.22 O[C@H]1CNCCOC1 F13213 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|0,0,0]=2 240 B8R1.49 C1CNCCCNC1 C90170 [1,0,0,1,0,0|2,0,0]=4 241 B10R1.10 CCCN1CCC[C@H](O)C1 AC5777 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,1,0,1,0,0|1,0,1]=4 243 B10R1.10 C[C@H]1CN(CCO)CCN1 D79423 [0,1,0,1,0,0|2,0,0]=4 244 B10R1.18 CC(C)C[C@H]1CNCCO1 F16046 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.18 CC(C)C[C@H]1COCCN1 77680 [0,1,0,1,0,0|2,0,0]=4 246 B10R1.18 CN(C)C[C@H]1CCCCN1 72858 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.18 CN(C)C[C@H]1CCCCN1 C77790 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.18 CN(C)C[C@H]1CCCCN1 D76620 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.18 CN(C)C[C@H]1CNCCO1 A50780 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.18 CN(C)C[C@H]1CNCCO1 A50781 [0,1,0,1,0,0|2,0,0]=4 251 B10R1.18 CN(C)C[C@H]1CNCCO1 C78051 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.18 CN(C)C[C@H]1CNCCO1 C78052 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [0,1,0,1,0,0|1,0,0]=3 254 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,1,0,1,0,0|1,0,1]=4 255 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,1,0,1,0,0|1,0,1]=4 256 B10R1.61 CC1CCCCC1B(O)O D96319 [0,1,0,1,0,0|1,0,0]=3 257 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,1,0,1,0,0|1,0,1]=4 258 B10R1.61 CN(C)C1CCCCC1N W19216 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1O AT22768 [0,1,0,1,0,0|1,0,0]=3 260 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,1,0,1,0,0|1,0,1]=4 262 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,1,0,1,0,0|1,0,1]=4 263 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,1,0,1,0,0|1,0,1]=4 264 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O AC4019 [0,1,0,1,0,0|1,0,1]=4 265 B10R1.133 C=CC[C@H]1CCC[C@]1(C)O F50030 [0,1,0,1,0,0|0,0,2]=4 266 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,1,0,1,0,0|1,0,1]=4 267 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.11 N[C@@H](CCO)C1CCCC1 N12965 [0,1,0,1,0,0|0,0,0]=2 269 B10R1.21 COCCO[C@H]1CCNC1 63514 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|0,0,1]=3 271 B10R1.85 CCCC1OCC=CCO1 44476 [0,1,0,1,0,0|0,0,2]=4 272 B10R1.85 NCCN1CCCCCC1 C11320 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.85 OCCC1CCCCCC1 E10088 [0,1,0,1,0,0|0,0,0]=2 274 B10R1.96 CCN1CC[C@H](CCN)C1 F50257 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.96 CCN1CC[C@H](CCN)C1 F50333 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.377 CCC[N+]1(C)CCCCC1 T73061 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.377 NC1(CCO)CCCCC1 F51933 [0,1,0,1,0,0|0,0,0]=2 280 B10R1.377 NCCC1(O)CCOCC1 C91327 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.4 CCO[C@H]1COCC[C@H]1N D79025 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.4 O=C1CCCCN1CCO D96983 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.17 BrCCCN1CCOCC1 N11755 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.17 BrCCOC1CCOCC1 AT13103 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.17 CCCCC1CCNCC1 30336 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.17 CNCCC1CCCCC1 P10203 [0,1,0,1,0,0|1,0,0]=3 287 B10R1.17 CNCCN1CCCCC1 S11703 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.17 COCC[C@H]1CCCCN1 32735 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.17 NCCCN1CCNCC1 C78275 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.17 NCCOC1CCOCC1 AT13101 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.17 O=CCO[C@@H]1CCCCO1 C16249 [0,1,0,1,0,0|1,0,1]=4 292 B10R1.17 OCCCC1CCNCC1 I11792 [0,1,0,1,0,0|0,0,0]=2 293 B10R1.17 OCCC[C@H]1COCCN1 F13510 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.30 CN1CCN(C)[C@@H](CO)C1 80532 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.5 CCN1CCC[C@@H]1CCN F50256 [0,1,0,1,0,0|1,0,0]=3 296 B10R1.5 CCN1CCC[C@@H]1CCN F50332 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.20 OCC1=C(CO)CCCC1 C92110 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.20 OC[C@H]1CC=CC[C@@H]1CO C13564 [0,1,0,1,0,0|0,0,2]=4 299 B10R1.161 CNC1CCCCCCC1 L10188 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.161 O=NN1CCCCCCC1 T72064 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.1 CCCC1CCC(N)CC1 T71534 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.1 NCCC1CCC(N)CC1 D88527 [0,1,0,1,0,0|1,0,0]=3 303 B10R1.1 NCCN1CCC(O)CC1 52131 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.1 OC1CCN(CCCl)CC1 D88174 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.1 OC1CCN(CCF)CC1 P10752 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.2 CN1C(=O)CCC[C@@H]1CO P13154 [0,1,0,1,0,0|1,0,1]=4 307 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77682 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77683 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.15 CC[C@H](N)C1CCOCC1 53163 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.15 N=C(NO)C1CCCCC1 91925 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [0,1,0,1,0,0|0,0,0]=2 314 B10R1.15 OC[C@H](F)C1CCOCC1 C93350 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.27 CN[C@@H](C)CC1CCCC1 D84278 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.149 CCC(=O)C1NCCC1O S10053 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.172 NC[C@H]1CCC[C@@H](CN)C1 T70031 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.172 OCC1CNCC(CO)C1 AT19143 [0,1,0,1,0,0|2,0,0]=4 320 B10R2.160 OCC1C2CNCC1C2 P13378 [0,0,0,2,0,0|1,0,0]=3 321 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [0,0,0,2,0,0|1,0,0]=3 322 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [0,0,0,2,0,0|1,0,0]=3 323 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|0,0,2]=4 324 B10R2.178 O[C@H]1CC[C@H]2CC[C@@H]1N2 D79171 [0,0,0,2,0,0|1,0,0]=3 325 B10R2.1 N[C@H]1CC12CCOCC2 W19213 [0,0,0,2,0,0|2,0,0]=4 326 B10R2.6 C1CC[C@@H](C2CC2)NC1 85768 [0,0,0,2,0,0|1,0,0]=3 327 B10R2.6 C1CN[C@H](C2CC2)CN1 D76639 [0,0,0,2,0,0|2,0,0]=4 328 B10R2.7 C1CC2CCOC2CN1 W19472 [0,0,0,2,0,0|1,0,0]=3 329 B10R2.7 C1CC2COCC2CN1 85311 [0,0,0,2,0,0|1,0,0]=3 330 B10R2.7 C1CCN2CCN[C@@H]2C1 D78691 [0,0,0,2,0,0|2,0,0]=4 331 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 T72488 [0,0,0,2,0,0|1,0,0]=3 332 B10R2.7 C1CC[C@@H]2CCC[C@H]2C1 T72307 [0,0,0,2,0,0|1,0,0]=3 333 B10R2.7 C1CNC2CCCC2C1 CS1329 [0,0,0,2,0,0|1,0,0]=3 334 B10R2.7 C1CNC2CNCC2C1 O12035 [0,0,0,2,0,0|2,0,0]=4 335 B10R2.7 C1C[C@H]2CNCCN2C1 52494 [0,0,0,2,0,0|2,0,0]=4 336 B10R2.7 C1C[C@H]2CNCCN2C1 P14107 [0,0,0,2,0,0|2,0,0]=4 337 B10R2.320 NC1CC2OCCCC12 33458 [0,0,0,2,0,0|1,0,0]=3 338 B10R2.320 NC1CC2OCCCC12 70860 [0,0,0,2,0,0|1,0,0]=3 339 B10R2.408 C1CC2CNCC(C1)C2 32763 [0,0,0,2,0,0|2,0,0]=4 340 B10R2.408 C1CC2COCC(C1)N2 D72966 [0,0,0,2,0,0|2,0,0]=4 341 B10R2.484 C1CC2(C1)CNCCN2 67458 [0,0,0,2,0,0|2,0,0]=4 342 B10R2.484 C1CC2(C1)CNCCO2 W16011 [0,0,0,2,0,0|1,0,0]=3 343 B10R2.484 C1CCC2(CC1)CNC2 P11103 [0,0,0,2,0,0|2,0,0]=4 344 B10R2.484 C1CCC2(CC1)COC2 F52388 [0,0,0,2,0,0|2,0,0]=4 345 B10R2.484 C1CCC2(CNC2)OC1 S11518 [0,0,0,2,0,0|1,0,0]=3 346 B10R2.484 C1CNC[C@@]2(C1)CCN2 11111 [0,0,0,2,0,0|2,0,0]=4 347 B10R2.484 C1COC[C@@]2(C1)CCN2 P11716 [0,0,0,2,0,0|2,0,0]=4 348 B10R2.3 NC1CCC12CCOC2 84549 [0,0,0,2,0,0|2,0,0]=4 349 B10R2.3 O=C1CCC12CCCC2 84855 [0,0,0,2,0,0|0,0,2]=4 350 B10R2.3 O[C@H]1CCC12CCCC2 84854 [0,0,0,2,0,0|0,0,0]=2 351 B10R2.32 NC1CCN2CCCC12 C77499 [0,0,0,2,0,0|2,0,0]=4 352 B10R2.32 NC1COC2OCCC12 91364 [0,0,0,2,0,0|2,0,0]=4 353 B10R2.32 OC1CCC2CNCC12 C14365 [0,0,0,2,0,0|1,0,0]=3 354 B10R2.32 OC1CCC2CNCC12 F14273 [0,0,0,2,0,0|1,0,0]=3 355 B10R2.32 OC1CCN2CCCC12 D96831 [0,0,0,2,0,0|1,0,0]=3 356 B10R2.32 O[C@H]1CC[C@H]2CNC[C@@H]12 C77606 [0,0,0,2,0,0|1,0,0]=3 357 B10R2.32 O[C@H]1CC[C@H]2CNC[C@@H]12 P14020 [0,0,0,2,0,0|1,0,0]=3 358 B10R2.99 CCN1C[C@@H]2CC1CN2 P14689 [0,0,0,2,0,0|2,0,0]=4 359 B10R2.483 C1CC[N+]2(C1)CCCC2 F16216 [0,0,0,2,0,0|2,0,0]=4 360 B10R2.483 C1CC[N+]2(C1)CCCC2 T70192 [0,0,0,2,0,0|2,0,0]=4 361 B10R2.483 C1CC[N+]2(C1)CCCC2 T70937 [0,0,0,2,0,0|2,0,0]=4 362 B10R2.483 C1CNC2(C1)CCOC2 38565 [0,0,0,2,0,0|2,0,0]=4 363 B10R2.483 C1CN[C@@]2(C1)CCOC2 S10512 [0,0,0,2,0,0|2,0,0]=4 364 B10R2.41 CN1C2CCCC1CC2 F14365 [0,0,0,2,0,0|2,0,0]=4 365 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 P12921 [0,0,0,2,0,0|1,0,0]=3 366 B10R2.41 O[C@H]1[C@H]2CC[C@@H]1CNC2 P12576 [0,0,0,2,0,0|1,0,0]=3 367 B10R2.109 OCC1CCC2CC2C1 AT14844 [0,0,0,2,0,0|0,0,0]=2 368 B10R2.60 OC1CC2CC1CC2O AC6415 [0,0,0,2,0,0|1,0,0]=3 369 B10R2.475 C1CNCCC2(C1)CC2 AT20039 [0,0,0,2,0,0|2,0,0]=4