0 B8R0.22 C(=O)N(CCC)CCC SBB008026 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.22 CCCC(C=O)CCC SBB052355 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.22 CCN(CCO)CCO SBB058753 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCCC(=O)CCC SBB060386 [1,0,0,0,0,0|1,1,1]=4 4 B7R0.7 CCCC(N)CCC SBB018801 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.7 CCCC(O)CCC SBB061327 [1,0,0,0,0,0|1,1,0]=3 6 B7R0.7 CCCN(C)CCC SBB061592 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.7 CCNC(C)CCO SBB046562 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.7 CCOC(C)OCC SBB058503 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.12 CCCC(CO)CO SBB059211 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.12 CCN(CC)CCN SBB060903 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.12 CCN(CC)CCO SBB058521 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.15 CCCC(CCC)C(=O)O SBB065764 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.15 CCCC(CCC)C(N)=O SBB015062 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.15 CCCN(CCC)C(C)=O SBB008474 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.17 CCCN(CCO)CCO SBB061588 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.17 NCCC(OCC)OCC SBB005781 [0,1,0,0,0,0|2,1,0]=4 17 B9R0.40 CCCC(CC)NCCO SBB059831 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.2 CCN1CCCC(N)C1 SBB010256 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.7 CCCC1OCC(C)O1 SBB060973 [0,0,0,1,0,0|2,1,0]=4 20 B9R1.8 BrCCC1CCCCN1 SBB018737 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.8 BrCCC1OCCCO1 SBB054748 [0,0,0,1,0,0|2,1,0]=4 22 B9R1.8 CCCC1CCCCN1 SBB017578 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.8 CCCC1CCCCN1 SBB050937 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.8 CCCC1OCCCO1 SBB060994 [0,0,0,1,0,0|2,1,0]=4 25 B9R1.8 CCCN1CCCCC1 SBB061042 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.8 CCCN1CCNCC1 SBB056132 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.8 CCCN1CCOCC1 SBB061033 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.8 CCOC1CCNCC1 SBB027269 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.8 CCOC1CCNCC1 SBB080379 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.8 ClCCN1CCCCC1 SBB056102 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.8 ClCCN1CCOCC1 SBB004079 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.8 N#CCC1CCCCO1 SBB071717 [0,0,0,1,0,0|1,1,1]=4 33 B9R1.8 N1CCN(CCC)CC1 SBB005871 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.8 NCCC1CCCCC1 SBB051424 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.8 NCCC1CCCCO1 SBB072556 [0,0,0,1,0,0|1,1,0]=3 37 B9R1.8 NCCC1CCCOC1 SBB050548 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.8 NCCN1CCCCC1 SBB058602 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.8 NCCN1CCOCC1 SBB028239 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.8 OCCC1CCCCN1 SBB027305 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.8 OCCC1CCNCC1 SBB027320 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.8 OCCN1CCCCC1 SBB040888 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.8 OCCN1CCNCC1 SBB004225 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.8 OCCN1CCOCC1 SBB004221 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.14 CCN1CCCC1CN SBB048031 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.14 CCN1CCCC1CO SBB108758 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.33 CN1CCCC1CCO SBB056164 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.89 CCN1CCCCCC1 SBB056278 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.89 CCN1CCCNCC1 SBB056277 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.89 N#CC1CCCCCC1 SBB008917 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.89 O=CC1CCCCCC1 SBB059644 [0,0,0,1,0,0|3,0,0]=4 52 B6R0.1 C#CC(O)CCC SBB067434 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.1 CCC(O)COC SBB072708 [2,0,0,0,0,0|1,1,0]=4 54 B6R0.1 CCCC(=O)CC SBB061496 [2,0,0,0,0,0|0,1,1]=4 55 B6R0.1 CCCC(C)CO SBB061282 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.1 CCCC(O)CC SBB061363 [2,0,0,0,0,0|0,1,0]=3 57 B6R0.1 CCNC(C)CO SBB046531 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.1 CNC(C)CCO SBB046542 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.1 CNCC(C)OC SBB049894 [2,0,0,0,0,0|1,1,0]=4 60 B6R0.6 C#CCCCCC SBB067441 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 C#CCCCCO SBB015110 [2,0,0,0,0,0|0,0,2]=4 62 B6R0.6 C=CCCCCC SBB059882 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCCCCC#N SBB060051 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 CCCCCCBr SBB059934 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.6 CCCCCCCl SBB059952 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.6 CCCCCCN SBB059984 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.6 CCCCCCO SBB059899 [2,0,0,0,0,0|0,0,0]=2 68 B6R0.6 CCCCCOC SBB061300 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.6 CCCCSCC SBB061178 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.6 CCCNCCC SBB059762 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.6 CCCOCCO SBB061379 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.6 CCCSCCC SBB061017 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.6 CCCSCCO SBB058605 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.6 CCOCCCN SBB028180 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.6 CC\C=C/CCO SBB007739 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.6 NCCCCCN SBB079706 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.6 NCCNCCO SBB028183 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.6 NCCOCCO SBB060906 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.6 NCCSCCO SBB056468 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.6 OCCNCCO SBB059779 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.6 OCCOCCCl SBB060189 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.6 OCCSCCO SBB060117 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.9 CC=C(CC)CC SBB059883 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.9 CCC(C=O)CC SBB059875 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.9 CCC(CC)CBr SBB059935 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.9 CCC(CC)CN SBB028171 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.9 CCC(CC)CO SBB059900 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.9 CCC(CN)OC SBB302370 [2,0,0,0,0,0|1,1,0]=4 89 B6R0.9 CCN(CC)CC SBB040898 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.9 CCN(CC)CC SBB087540 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.1 CCCCC(O)CCC SBB059905 [1,1,0,0,0,0|1,1,0]=4 92 B8R0.1 CCCCS(=O)CCO SBB019077 [1,1,0,0,0,0|1,1,0]=4 93 B8R0.3 C#CC(O)C(C)CCC SBB009074 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.3 CCN(C)C(C)CCN SBB046528 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.5 CCCC(C)CC(=O)O SBB061321 [1,1,0,0,0,0|0,0,1]=3 96 B8R0.11 CCCCC(C=O)CC SBB060148 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.11 CCCCC(CC)CBr SBB059938 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.11 CCCCC(CC)CCl SBB005809 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.11 CCCCC(CC)CI SBB061182 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.11 CCCCC(CC)CO SBB059906 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.11 CCCCC(CO)CO SBB059212 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.11 CCN(CC)CCCN SBB058841 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.11 NCC(CC)CCCC SBB006745 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.16 CCN(CC)CC(C)N SBB020279 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.16 CCN(CC)CC(C)O SBB060003 [1,1,0,0,0,0|2,0,0]=4 106 B10R0.73 CCOC(OCC)C(O)CO SBB017125 [0,2,0,0,0,0|1,1,0]=4 107 B10R0.90 CCCCN(CCO)CCO SBB008846 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.90 NCCCN(CCO)CCO SBB010437 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.4 CC1CCCC(C)C1 SBB061164 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.4 CC1CCCC(C)N1 SBB004313 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 CC1CCCC(O)C1 SBB061310 [1,0,0,1,0,0|0,0,0]=2 112 B8R1.4 CC1CCNC(C)C1 SBB004310 [1,0,0,1,0,0|1,0,0]=3 113 B8R1.4 CC1CNCC(C)C1 SBB027312 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.4 CN1CCCC(N)C1 SBB047756 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.8 C=CCC1CCCC1 SBB008872 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.8 CCCC1OCCS1 SBB056724 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.8 ClCCN1CCCC1 SBB070714 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.8 NCCC1CCCC1 SBB072011 [1,0,0,1,0,0|1,0,0]=3 119 B8R1.8 NCCN1CCCC1 SBB004304 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.8 OCCC1CCCC1 SBB008459 [1,0,0,1,0,0|0,0,0]=2 121 B8R1.8 OCCN1CCCC1 SBB060257 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.8 OCCN1CCOC1 SBB008304 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.11 CN1CCCC1CO SBB108833 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.22 CN1CCCNCC1 SBB056191 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.22 NC1CCCCCC1 SBB004311 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.22 OC1CCCCCC1 SBB061138 [1,0,0,1,0,0|1,1,0]=4 127 B8R1.1 CNC1CCN(C)C1 SBB052021 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.1 OCC1CC(O)CN1 SBB014445 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.2 BrCC1CCCCO1 SBB054944 [1,0,0,1,0,0|1,1,0]=4 130 B8R1.2 BrCC1CCOCC1 SBB054945 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.2 CCC1CCCCC1 SBB061162 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.2 CCC1CCNCC1 SBB046379 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.2 CCN1CCCCC1 SBB061409 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.2 CCN1CCOCC1 SBB060634 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.2 COC1CCNCC1 SBB019028 [1,0,0,1,0,0|1,1,0]=4 136 B8R1.2 ClCC1CCCCO1 SBB040653 [1,0,0,1,0,0|1,1,0]=4 137 B8R1.2 N#CC1CCCCC1 SBB008404 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.2 N#CC1CCOCC1 SBB019014 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.2 N(C)C1CCCCC1 SBB004314 [1,0,0,1,0,0|1,0,0]=3 140 B8R1.2 N1CCCCC1CC SBB004312 [1,0,0,1,0,0|1,0,0]=3 141 B8R1.2 NCC1CCCCC1 SBB028193 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.2 NCC1CCCCN1 SBB069774 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.2 NCC1CCCCO1 SBB085471 [1,0,0,1,0,0|1,1,0]=4 144 B8R1.2 NCC1CCCOC1 SBB013821 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.2 NCC1CCOCC1 SBB014254 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.2 O=CC1CCOCC1 SBB052321 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.2 OCC1CCCCC1 SBB061328 [1,0,0,1,0,0|1,0,0]=3 148 B8R1.2 OCC1CCCCN1 SBB058544 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.2 OCC1CCCCO1 SBB008943 [1,0,0,1,0,0|0,1,0]=3 150 B8R1.2 OCC1CCCOC1 SBB014200 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.2 OCC1CCNCC1 SBB054833 [1,0,0,1,0,0|2,0,0]=4 152 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.8 CCN1CC(C)CC(O)C1 SBB002881 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.10 CCCC1CCOC(C)S1 SBB058540 [0,1,0,1,0,0|0,0,0]=2 155 B10R1.18 CC(N)CN1CCOCC1 SBB017919 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [0,1,0,1,0,0|2,0,0]=4 157 B10R1.18 CC(O)CN1CCOCC1 SBB056514 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.18 O=C(O)CC1CCCCN1 SBB010294 [0,1,0,1,0,0|1,0,1]=4 160 B10R1.18 O=C(O)CC1CCCCO1 SBB002787 [0,1,0,1,0,0|0,1,1]=4 161 B10R1.85 CCCC1OCCCCO1 SBB060980 [0,1,0,1,0,0|1,1,0]=4 162 B10R1.85 OCCN1CCCCCC1 SBB005844 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.85 OCCN1CCCNCC1 SBB056234 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.1 CCCC1CCC(=O)CC1 SBB008421 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.1 CCCC1CCC(O)CC1 SBB055278 [0,1,0,1,0,0|1,0,0]=3 166 B10R1.1 CN1CCC(CCN)CC1 SBB025006 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.1 CN1CCN(CCO)CC1 SBB056116 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.17 BrCCOC1CCCCO1 SBB070782 [0,1,0,1,0,0|1,1,0]=4 169 B10R1.17 CCCCN1CCOCC1 SBB061034 [0,1,0,1,0,0|2,0,0]=4 170 B10R1.17 CCCOC1CCNCC1 SBB027294 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.17 ClCCCN1CCOCC1 SBB054958 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.17 ClCCCN1CCOCC1 SBB054959 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.17 NCCCN1CCOCC1 SBB028271 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.17 OCCCC1CCCCC1 SBB058808 [0,1,0,1,0,0|1,0,0]=3 175 B10R1.17 OCCCN1CCCCC1 SBB072687 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.17 OCCNC1CCCCC1 SBB007725 [0,1,0,1,0,0|1,0,0]=3 177 B10R1.377 NCCC1(O)CCCCC1 SBB303067 [0,1,0,1,0,0|2,0,0]=4 178 B10R2.99 CCC1CC2CCC1C2 SBB060621 [0,0,0,2,0,0|2,0,0]=4 179 B10R2.99 NCC1CC2CCC1C2 SBB010246 [0,0,0,2,0,0|2,0,0]=4 180 B10R2.99 OCC1CC2CCC1C2 SBB008210 [0,0,0,2,0,0|1,0,0]=3