0 B7R0.1 C=CC\C=C\CCC T72633 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 CNCCCCCO AT11157 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.1 CNCCCCCO AT11158 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.1 COCCNCCO AT12488 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 COCCOCCN F50617 [0,0,0,0,0,0|3,1,0]=4 5 B7R0.1 COCCOCCS AT10124 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.1 C\C=C/CCCCC T72919 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 ClCCSSCCCl AT21151 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 NCCSCCCO AT25557 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 NCCSSCCN AT21144 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 OCCCCCCI AT14272 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.1 OCCCNCCO FD7298 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 OCC\C=C\CCO AT19969 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 C#CCSCCN AT19952 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 C#CCSCCO AT19948 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 C=CCSCCN AT25545 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CNCCCOC F15969 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 ClCCNCCCl AB10357 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 NCCOCCF AT12496 [1,0,0,0,0,0|2,1,0]=4 21 B6R0.6 NCCSCCO AT25550 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 OCCNCCO AB10274 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 OCCOCCI C77657 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.1 CCCC[C@H](N)CCO D73273 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.4 CCC#CCCCCC T72039 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.4 CNCCCCCCO AT11159 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.4 COCCNCCCO FD7300 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.4 ClCCCCCCCCl T71360 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.4 NCCCCCCCO AT22494 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.4 OCCCOCCCCl D84666 [0,1,0,0,0,0|2,1,0]=4 32 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.2 CC[C@H]1COCCN1 F19074 [0,0,0,1,0,0|2,1,0]=4 38 B8R1.2 CNC1CCCCC1 S12279 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.5 CC1CCNCC1O 38881 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.5 CC1COCCC1N F13602 [0,0,0,1,0,0|2,1,0]=4 42 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,1,0,0|2,1,0]=4 47 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.8 CNCC1CCCC1 A11546 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.8 COC[C@H]1CCCN1 C77885 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.8 NCCC1CCCC1 23497 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,0,1,0,0|2,1,0]=4 52 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,0,1,0,0|2,1,0]=4 53 B8R1.10 CNCCC1CCC1 P12905 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.11 CC1COCC1CCl 50130 [0,0,0,1,0,0|2,1,0]=4 55 B8R1.11 CC1COCC1CO 50120 [0,0,0,1,0,0|2,1,0]=4 56 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.22 C[C@H]1CNCCCN1 70846 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,0,0,1,0,0|2,1,0]=4 63 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,1,0,0|2,1,0]=4 65 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,1,0,0|2,1,0]=4 68 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.49 C1CNCCCNC1 C90170 [0,0,0,1,0,0|3,0,0]=4 70 B5R0.2 CCCCNN AC6660 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|1,1,0]=4 73 B5R0.2 CNCCSC D87904 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.3 CCCC[C@H](N)CO D75114 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.3 CCCC[C@H](N)CO H10583 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.4 CC(C)CSCCN AT25570 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.4 NCCSCC(F)F AT25560 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.7 CCC[C@H](N)CCO N15481 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.7 CCC[C@H](N)CCO N15482 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.18 CCCCC(C)CCCC T71863 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.34 CCCC(C)CC(C)CC T70352 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.2 CC(C)CCCCCCO D98911 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.45 C=CCCCCCCCC T73018 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.45 CC#CCCCCCCC H11435 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.45 CCCC#CC#CCCC T70378 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.45 C\C=C/CCCCCCC T70533 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.45 NCCCCNCCCN T72522 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.45 NCCSCCSCCN AT25576 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,2,0,0,0,0|2,0,0]=4 91 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,2,0,0,0,0|2,0,0]=4 93 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,2,0,0,0,0|2,0,0]=4 94 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.1 CN[C@H]1CCSC1 D72867 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 ClC[C@H]1CCCN1 87778 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 ClC[C@H]1CCCN1 D76474 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.1 FC[C@H]1CCCN1 AT24807 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 FC[C@H]1CCCN1 P12668 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 NC[C@H]1CCCN1 C16283 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 NC[C@H]1CCCN1 FD10638 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 NC[C@H]1CCCN1 S10708 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 Br[C@H]1CCCNC1 C14028 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.3 C[C@H]1CNCCS1 AT10751 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 C[C@H]1CNCCS1 AT25278 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 C[C@H]1CSCCN1 AT10756 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 C[C@H]1CSCCN1 AT10759 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 N[C@H]1CCCOC1 F31015 [1,0,0,1,0,0|1,1,0]=4 113 B7R1.3 N[C@H]1CCCOC1 P11042 [1,0,0,1,0,0|1,1,0]=4 114 B7R1.4 CC1CNCC1O 72148 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 CC1CNCC1O AT22587 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.6 NCCN1CCC1 F30399 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.7 NCCOC1CC1 AT11523 [1,0,0,1,0,0|1,1,0]=4 122 B7R1.7 OCCNC1CC1 AT25786 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.24 C1CNCCSC1 W16417 [1,0,0,1,0,0|1,0,0]=3 126 B9R1.2 CC[C@H]1COC[C@H](C)N1 F18905 [0,1,0,1,0,0|1,1,0]=4 127 B9R1.8 CCCC1CCNCC1 C75224 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.8 CCC[C@H]1CCCCN1 F16887 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.8 CNCC1CCCCC1 P19116 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.8 CNC[C@H]1CCCCO1 F16332 [0,1,0,1,0,0|1,1,0]=4 131 B9R1.8 COC[C@H]1CCCCN1 31181 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.8 COC[C@H]1CCCCN1 Y11003 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.8 COC[C@H]1CCCNC1 C78400 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.8 NCC[C@H]1CCCCN1 D76613 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [0,1,0,1,0,0|1,1,0]=4 136 B9R1.8 NCC[C@H]1CCCNC1 D76642 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [0,1,0,1,0,0|1,1,0]=4 138 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [0,1,0,1,0,0|1,1,0]=4 139 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [0,1,0,1,0,0|1,1,0]=4 140 B9R1.12 BrCCCN1CCCC1 D88134 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.12 CCCC[C@H]1CCCN1 N12661 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.12 CNCCC1CCCC1 P11107 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.12 CNCC[C@H]1CCCO1 F20641 [0,1,0,1,0,0|1,1,0]=4 144 B9R1.12 NCCCC1CCCC1 F20043 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.15 CCC1CCCCC1C T72380 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.15 CCC1CCCCC1O D90497 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.15 CN[C@H]1CNCC[C@H]1C 44571 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.15 COC1CNCCC1C 33459 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.49 OC1CCC(O)CSC1 F51867 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.89 CN[C@H]1CCCCNC1 97599 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.89 CN[C@H]1CCCCNC1 97600 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.103 C1CSCCSCCS1 T72788 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.3 CC1CCCC(C)C1C T71900 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.6 CC(C)[C@@H]1CNCCS1 AT25277 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.6 C[C@H](N)C1CCCCO1 79891 [0,1,0,1,0,0|1,1,0]=4 166 B9R1.6 C[C@H](N)C1CCCOC1 79879 [0,1,0,1,0,0|1,1,0]=4 167 B9R1.6 C[C@H](N)C1CCCOC1 79880 [0,1,0,1,0,0|1,1,0]=4 168 B9R1.6 C[C@H](N)C1CCCOC1 79881 [0,1,0,1,0,0|1,1,0]=4 169 B9R1.6 C[C@H](N)C1CCCOC1 79882 [0,1,0,1,0,0|1,1,0]=4 170 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.148 CC1(C)CCCNCC1 AT20041 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.148 C[C@]1(O)CCCNCC1 P12010 [0,1,0,1,0,0|2,0,0]=4 176 B9R2.49 C1CC2CCC1CN2 P11101 [0,0,0,2,0,0|2,0,0]=4 177 B9R2.50 C1CCC2NCC2C1 P11106 [0,0,0,2,0,0|2,0,0]=4 178 B9R2.68 C1=C[C@H]2CC[C@@H](C1)C2 T71364 [0,0,0,2,0,0|2,0,0]=4 179 B9R2.3 C1=NC[C@@H]2CCC[C@H]12 11434 [0,0,0,2,0,0|2,0,0]=4