0 B8R0.4 BrCCCCCCCBr CS-W010166 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 BrCCCOCCCBr CS-0526980 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.4 C#CCCCCCCBr CS-0648097 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 C#CCCCCCCO CS-W008554 [0,0,0,0,0,0|0,0,2]=2 4 B8R0.4 C=CCCCCCCBr CS-W010733 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.4 C=CCCCCCCO CS-0185603 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.4 C=COCCOCCO CS-0167854 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.4 CCCC=C=CCCO CS-1173689 [0,0,0,0,0,0|0,0,3]=3 8 B8R0.4 CCCCC#CCCO CS-0315148 [0,0,0,0,0,0|0,0,2]=2 9 B8R0.4 CCCCCCCC=O CS-0138976 [0,0,0,0,0,0|0,0,2]=2 10 B8R0.4 CCCCCCCCBr CS-0076039 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.4 CCCCCCCCI CS-0188391 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.4 CCCCCCCCN CS-0076038 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.4 CCCCCCCCN CS-0179378 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.4 CCCCCCCCO CS-0076037 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.4 CCCCC\C=C\C=O CS-0200283 [0,0,0,0,0,0|0,0,4]=4 16 B8R0.4 CCCCC\C=C\CO CS-0152366 [0,0,0,0,0,0|0,0,2]=2 17 B8R0.4 CCCCOCCCN CS-0130475 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.4 CCCCSCCCC CS-0255960 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.4 COCCNCCOC CS-D1692 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.4 COCCOCCOC CS-0017205 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.4 COCCOCCOC CS-0099019 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.4 ClCCCOCCCCl CS-0169240 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.4 NCCCCCCCN CS-W009537 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.4 NCCCCCCCO CS-0088962 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.4 NCCCOCCCN CS-0207652 [0,0,0,0,0,0|3,0,0]=3 26 B8R0.4 NCCCOCCCO CS-0147757 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.4 OCCCCCCCBr CS-W008425 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.4 OCCCCCCCO CS-W013404 [0,0,0,0,0,0|1,0,0]=1 29 B8R0.4 OCCCNCCCO CS-0186731 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.4 OCCCOCCCCl CS-0147762 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.4 OCCCOCCCO CS-0131092 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.4 [N-]=[N+]=NCCCCCN CS-0626851 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.4 [N-]=[N+]=NCCOCCO CS-0114587 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.1 BrCCCCCCBr CS-0015831 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.1 C#CCCCCCO CS-W007441 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.1 C=CCCCCCBr CS-W009270 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.1 C=CCCCCNC CS-0187593 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 C=COCCCCO CS-0077087 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 CCCCCCCBr CS-W017293 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.1 CCCCCCCO CS-0152146 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.1 CCCCNCCO CS-0077079 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.1 CCCOCCCN CS-0213493 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.1 CCNCCCCO CS-0206547 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.1 CNCCOCCO CS-0209922 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.1 COCCOCCBr CS-0116183 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.1 COCCOCCI CS-0150162 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.1 COCCOCCN CS-0115786 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.1 COCCOCCN CS-0115787 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.1 COCCOCCN CS-0115788 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.1 COCCOCCN CS-0115790 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.1 COCCOCCN CS-W008429 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.1 COCCOCCO CS-0116122 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.1 COCCOCCO CS-0644881 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.1 COCCOCCO CS-0889987 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.1 COCCOCCO CS-W013578 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.1 COCCOCCS CS-0115760 [1,0,0,0,0,0|2,1,0]=4 57 B7R0.1 COCCOCCS CS-0115764 [1,0,0,0,0,0|2,1,0]=4 58 B7R0.1 COCCOCCS CS-0650914 [1,0,0,0,0,0|2,1,0]=4 59 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.1 ClCCCCCCCl CS-W016259 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.1 ClCCCCCCI CS-0059200 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.1 ICCCCCCI CS-W011914 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.1 N#CCCCCCBr CS-0158396 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.1 N#CCCCCCN CS-0147655 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.1 NCCCCCCBr CS-0158390 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.1 NCCCCCCN CS-W015964 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.1 NCCCCCCO CS-W007957 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.1 NCCCCCCS CS-D0506 [1,0,0,0,0,0|1,1,0]=3 69 B7R0.1 NCCCNCCBr CS-W022895 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.1 NCCCNCCO CS-0158337 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.1 NCCCNCCS CS-7832 [1,0,0,0,0,0|2,1,0]=4 72 B7R0.1 NCCNCCCO CS-0199570 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.1 OCCCCCCBr CS-0654104 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.1 OCCCCCCBr CS-W017171 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.1 OCCCCCCCl CS-B1599 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.1 OCCCCCCO CS-W011221 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.1 OCCSSCCO CS-0181622 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.2 C#CCCCCCC(=O)O CS-0006437 [0,1,0,0,0,0|0,0,3]=4 79 B9R0.2 C=CCCCCCC(=O)O CS-0147251 [0,1,0,0,0,0|0,0,3]=4 80 B9R0.2 CC(=O)OCCCCCBr CS-0006787 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.2 CC(=O)OCCOCCO CS-0147717 [0,1,0,0,0,0|2,0,1]=4 82 B9R0.2 CCCCCC#CC(=O)O CS-0297443 [0,1,0,0,0,0|0,0,3]=4 83 B9R0.2 CCCCCCCC(=O)O CS-0016549 [0,1,0,0,0,0|0,0,1]=2 84 B9R0.2 CCCCCCCC(C)=O CS-0015991 [0,1,0,0,0,0|0,0,2]=3 85 B9R0.2 CCCCC\C=C\C(=O)O CS-0098436 [0,1,0,0,0,0|0,0,3]=4 86 B9R0.2 CCCNCCCN(C)C CS-0116651 [0,1,0,0,0,0|3,0,0]=4 87 B9R0.2 CN(C)CCCCCCO CS-W017749 [0,1,0,0,0,0|1,0,0]=2 88 B9R0.2 COCCOCCC(=O)O CS-0105847 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.2 NCCCCCCC(=O)O CS-W002042 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.2 O=C(O)CCCCCCBr CS-W007714 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.2 O=C(O)CCCCCCO CS-W022546 [0,1,0,0,0,0|1,0,1]=3 92 B9R0.5 C=C=CC(O)CCCCC CS-1014360 [0,1,0,0,0,0|1,0,2]=4 93 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.5 CCOC(=O)CCCCN CS-W022699 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.18 CCCCC(=O)CCCC CS-W018275 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.18 CCCCC(O)CCCC CS-0083495 [0,1,0,0,0,0|1,0,0]=2 97 B9R0.18 CCCCS(=O)CCCC CS-0181824 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.18 CCOCC(O)COCC CS-0217718 [0,1,0,0,0,0|3,0,0]=4 99 B9R0.18 O=C(CCCCl)CCCCl CS-W018764 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.45 BrCCCCCCCCBr CS-0007585 [0,1,0,0,0,0|1,0,0]=2 101 B9R0.45 BrCCOCCOCCBr CS-0109308 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.45 C#CCCC#CCCCC CS-0186304 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.45 C#CCCCCCCCC CS-0031636 [0,1,0,0,0,0|1,0,0]=2 104 B9R0.45 C#CCCCCCCCI CS-0614924 [0,1,0,0,0,0|1,0,1]=3 105 B9R0.45 C#CCCCCCCCO CS-W018840 [0,1,0,0,0,0|0,0,1]=2 106 B9R0.45 C#CCOCCOCCO CS-0108947 [0,1,0,0,0,0|1,0,2]=4 107 B9R0.45 C(CC)=CCCCCCO CS-W018274 [0,1,0,0,0,0|0,0,1]=2 108 B9R0.45 C=CCCCCCCC=C CS-0199334 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.45 C=CCCCCCCCBr CS-W006397 [0,1,0,0,0,0|1,0,1]=3 110 B9R0.45 C=CCCCCCCCO CS-0185599 [0,1,0,0,0,0|0,0,1]=2 111 B9R0.45 C=CCOCCOCCO CS-0099993 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.45 CCCCC#CCCCC CS-0066208 [0,1,0,0,0,0|1,0,1]=3 113 B9R0.45 CCCCC=C=CCCO CS-1173690 [0,1,0,0,0,0|0,0,2]=3 114 B9R0.45 CCCCCCCCCBr CS-W015275 [0,1,0,0,0,0|1,0,0]=2 115 B9R0.45 CCCCCCCCCI CS-0179369 [0,1,0,0,0,0|1,0,0]=2 116 B9R0.45 CCCCCCCCCN CS-W016408 [0,1,0,0,0,0|1,0,0]=2 117 B9R0.45 CCCCCCCCCO CS-W009532 [0,1,0,0,0,0|0,0,0]=1 118 B9R0.45 CCCCCCCCNC CS-0152155 [0,1,0,0,0,0|1,0,0]=2 119 B9R0.45 CCCCCCCCSC CS-0451724 [0,1,0,0,0,0|0,1,0]=2 120 B9R0.45 CCCCNCCCCO CS-0152101 [0,1,0,0,0,0|0,0,0]=1 121 B9R0.45 CNCCCCCCNC CS-0150992 [0,1,0,0,0,0|2,0,0]=3 122 B9R0.45 COCCCCCCOC CS-0321041 [0,1,0,0,0,0|1,0,0]=2 123 B9R0.45 ClCCOCCOCCCl CS-0158308 [0,1,0,0,0,0|3,0,0]=4 124 B9R0.45 ICCCCCCCCI CS-0196432 [0,1,0,0,0,0|1,0,0]=2 125 B9R0.45 ICCOCCOCCI CS-0112243 [0,1,0,0,0,0|3,0,0]=4 126 B9R0.45 NCCCCCCCCN CS-W016375 [0,1,0,0,0,0|1,0,0]=2 127 B9R0.45 NCCCCCCCCO CS-0147845 [0,1,0,0,0,0|0,0,0]=1 128 B9R0.45 NCCCCNCCCN CS-0013804 [0,1,0,0,0,0|2,0,0]=3 129 B9R0.45 NCCOCCOCCN CS-0100622 [0,1,0,0,0,0|3,0,0]=4 130 B9R0.45 NCCOCCOCCN CS-0115753 [0,1,0,0,0,0|3,0,0]=4 131 B9R0.45 NCCOCCOCCN CS-0173746 [0,1,0,0,0,0|3,0,0]=4 132 B9R0.45 NCCOCCOCCO CS-W007545 [0,1,0,0,0,0|2,0,0]=3 133 B9R0.45 NCCOCCOCCS CS-0148601 [0,1,0,0,0,0|2,1,0]=4 134 B9R0.45 OCCCCCCCCBr CS-0015428 [0,1,0,0,0,0|0,0,0]=1 135 B9R0.45 OCCCCCCCCCl CS-W014309 [0,1,0,0,0,0|0,0,0]=1 136 B9R0.45 OCCCCCCCCO CS-W018224 [0,1,0,0,0,0|0,0,0]=1 137 B9R0.45 OCCCSSCCCO CS-0162834 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.45 OCCNCCNCCO CS-W018184 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.45 OCCOCCOCCBr CS-0109578 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.45 OCCOCCOCCCl CS-W016036 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.45 OCCOCCOCCO CS-W018156 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.45 SCCOCCOCCS CS-0040829 [0,1,0,0,0,0|2,1,0]=4 143 B9R0.45 [N-]=[N+]=NCCCCCCN CS-0148141 [0,1,0,0,0,0|3,0,0]=4 144 B9R0.45 [N-]=[N+]=NCCCCCCO CS-0148603 [0,1,0,0,0,0|2,0,0]=3 145 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,1,0,0,0,0|1,0,1]=3 146 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,1,0,0,0,0|2,0,1]=4 149 B9R0.46 CCCCCCC(O)CC CS-0199187 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.46 CCCCCCC(O)CO CS-W018222 [0,1,0,0,0,0|0,0,0]=1 151 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|2,0,1]=4 152 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,1,0,0,0,0|1,0,1]=3 154 B9R0.46 COCCOCC(O)CO CS-0888968 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.8 BrCCC1CCCCC1 CS-W010732 [0,0,0,1,0,0|1,0,0]=2 156 B9R1.8 BrCCC1CCOCC1 CS-M3430 [0,0,0,1,0,0|2,0,0]=3 157 B9R1.8 BrCCC1OCCCO1 CS-W010633 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.8 BrCCN1CCCCC1 CS-W005524 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.8 BrCCN1CCOCC1 CS-W005009 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.8 CCCC1CCNCC1 CS-0434112 [0,0,0,1,0,0|2,0,0]=3 161 B9R1.8 CCCN1CCNCC1 CS-0152069 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.8 CCNC1CCCCC1 CS-W016555 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.8 CCNC1CCOCC1 CS-0040480 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.8 CCOC1=NCCCC1 CS-0188155 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.8 CNCC1CNCCO1 CS-0301640 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.8 COCC1CCCCN1 CS-0207116 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.8 COCC1CCCNC1 CS-0217524 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.8 COCC1CCNCC1 CS-0051142 [0,0,0,1,0,0|3,0,0]=4 169 B9R1.8 COCC1CCNCC1 CS-W003464 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.8 COCC1CNCCO1 CS-W021442 [0,0,0,1,0,0|2,0,0]=3 171 B9R1.8 COC[C@@H]1CNCCO1 CS-W020731 [0,0,0,1,0,0|2,0,0]=3 172 B9R1.8 COC[C@@H]1COCCN1 CS-0061891 [0,0,0,1,0,0|3,0,0]=4 173 B9R1.8 COC[C@H]1CNCCO1 CS-W018994 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.8 COC[C@H]1COCCN1 CS-0103639 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.8 CSCC1CCNCC1 CS-0241897 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.8 ClCCN1CCCCC1 CS-B0962 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.8 ClCCN1CCNCC1 CS-0453437 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.8 ClCCN1CCOCC1 CS-0015128 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.8 ClCCN1CCOCC1 CS-W004894 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.8 FCCC1CCNCC1 CS-0480408 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.8 FCCN1CCNCC1 CS-0106300 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.8 FCCN1CCNCC1 CS-0158333 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.8 FCCN1CCNCC1 CS-W021204 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.8 N#CCC1CCOCC1 CS-W018364 [0,0,0,1,0,0|2,0,1]=4 185 B9R1.8 NCCC1=CCCCC1 CS-0072656 [0,0,0,1,0,0|1,0,2]=4 186 B9R1.8 NCCC1CCCCC1 CS-0040906 [0,0,0,1,0,0|1,0,0]=2 187 B9R1.8 NCCC1CCCCO1 CS-0084526 [0,0,0,1,0,0|1,0,0]=2 188 B9R1.8 NCCC1CCOCC1 CS-W002907 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.8 NCCN1CCCCC1 CS-W007776 [0,0,0,1,0,0|2,0,0]=3 190 B9R1.8 NCCN1CCOCC1 CS-W016546 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.8 O=CNC1CCCCC1 CS-0099360 [0,0,0,1,0,0|1,0,2]=4 192 B9R1.8 OCCC1CCCCC1 CS-0072235 [0,0,0,1,0,0|0,0,0]=1 193 B9R1.8 OCCC1CCCCN1 CS-W001979 [0,0,0,1,0,0|1,0,0]=2 194 B9R1.8 OCCC1CCCCO1 CS-0068082 [0,0,0,1,0,0|1,0,0]=2 195 B9R1.8 OCCC1CCCNC1 CS-D1062 [0,0,0,1,0,0|1,0,0]=2 196 B9R1.8 OCCC1CCCNC1 CS-WAA0206 [0,0,0,1,0,0|1,0,0]=2 197 B9R1.8 OCCC1CCNCC1 CS-0112429 [0,0,0,1,0,0|1,0,0]=2 198 B9R1.8 OCCC1CCNCC1 CS-W013445 [0,0,0,1,0,0|1,0,0]=2 199 B9R1.8 OCCC1CCOCC1 CS-0017747 [0,0,0,1,0,0|1,0,0]=2 200 B9R1.8 OCCC1CNCCN1 CS-W006875 [0,0,0,1,0,0|2,0,0]=3 201 B9R1.8 OCCC1COCCN1 CS-0146954 [0,0,0,1,0,0|2,0,0]=3 202 B9R1.8 OCCN1CCCCC1 CS-W013444 [0,0,0,1,0,0|1,0,0]=2 203 B9R1.8 OCCN1CCNCC1 CS-W020134 [0,0,0,1,0,0|2,0,0]=3 204 B9R1.8 OCCN1CCOCC1 CS-0311336 [0,0,0,1,0,0|2,0,0]=3 205 B9R1.8 OCC[C@@H]1CCCCN1 CS-0060809 [0,0,0,1,0,0|1,0,0]=2 206 B9R1.8 OCC[C@@H]1CCCCN1 CS-W019797 [0,0,0,1,0,0|1,0,0]=2 207 B9R1.8 OCC[C@@H]1CNCCN1 CS-0170826 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.8 [C@H]1(CCO)CCCCN1 CS-W007158 [0,0,0,1,0,0|1,0,0]=2 209 B9R1.12 BrCCCC1OCCO1 CS-0159608 [0,0,0,1,0,0|2,0,0]=3 210 B9R1.12 BrCCCN1CCCC1 CS-W007182 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.12 ClCCCC1OCCO1 CS-W018131 [0,0,0,1,0,0|2,0,0]=3 212 B9R1.12 ClCCCN1CCCC1 CS-0155277 [0,0,0,1,0,0|2,0,0]=3 213 B9R1.12 NCCCN1CCCC1 CS-W007457 [0,0,0,1,0,0|2,0,0]=3 214 B9R1.12 NCCOC1CCCC1 CS-0155346 [0,0,0,1,0,0|2,0,0]=3 215 B9R1.12 OCCCN1CCCC1 CS-W005320 [0,0,0,1,0,0|1,0,0]=2 216 B9R1.14 CCN1CCCC1CN CS-W013458 [0,0,0,1,0,0|2,0,0]=3 217 B9R1.14 CCN1CCC[C@H]1CN CS-W002498 [0,0,0,1,0,0|2,0,0]=3 218 B9R1.14 CCN1CCC[C@H]1CO CS-0159213 [0,0,0,1,0,0|1,0,0]=2 219 B9R1.15 CCC1CCCCC1=O CS-0103893 [0,0,0,1,0,0|0,0,2]=3 220 B9R1.15 CN1CCCCC1CO CS-W011116 [0,0,0,1,0,0|1,0,0]=2 221 B9R1.15 CN1CCCC[C@@H]1CO CS-0099990 [0,0,0,1,0,0|1,0,0]=2 222 B9R1.15 CN1CCCC[C@H]1CO CS-0099987 [0,0,0,1,0,0|1,0,0]=2 223 B9R1.15 CN1CCOCC1CO CS-0061777 [0,0,0,1,0,0|2,0,0]=3 224 B9R1.15 CN1CCOC[C@@H]1CO CS-0061776 [0,0,0,1,0,0|2,0,0]=3 225 B9R1.15 CN1CCOC[C@H]1CO CS-0101191 [0,0,0,1,0,0|2,0,0]=3 226 B9R1.15 CN[C@@H]1CCCC[C@H]1O CS-0449943 [0,0,0,1,0,0|1,0,0]=2 227 B9R1.15 CN[C@H]1CCCC[C@@H]1O CS-0336415 [0,0,0,1,0,0|1,0,0]=2 228 B9R1.15 CO[C@H]1CCNC[C@H]1F CS-0565752 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.15 C[C@H]1OCCN[C@@H]1CO CS-0103643 [0,0,0,1,0,0|2,0,0]=3 230 B9R1.15 OC[C@H]1CCNC[C@H]1F CS-W001673 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.33 CN1CCCC1CCN CS-W013459 [0,0,0,1,0,0|2,0,0]=3 232 B9R1.33 CN1CCCC1CCO CS-W013446 [0,0,0,1,0,0|1,0,0]=2 233 B9R1.50 NC1CCCCCCC1 CS-0155298 [0,0,0,1,0,0|1,0,0]=2 234 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,0,0,1,0,0|0,0,2]=3 235 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,2]=4 236 B9R1.50 OC1C=CCCCCC1 CS-0782885 [0,0,0,1,0,0|0,0,2]=3 237 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,0,0,1,0,0|0,0,2]=3 238 B9R1.83 CCCCCCC1CO1 CS-0152296 [0,0,0,1,0,0|0,0,0]=1 239 B9R1.83 COCCOCC1CO1 CS-0888964 [0,0,0,1,0,0|2,0,0]=3 240 B9R1.89 BrCC1CCCCCC1 CS-0144558 [0,0,0,1,0,0|1,0,0]=2 241 B9R1.89 CCN1CCCNCC1 CS-0124385 [0,0,0,1,0,0|3,0,0]=4 242 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,0,0,1,0,0|1,0,1]=3 243 B9R1.89 NCC1CCCCCC1 CS-0155299 [0,0,0,1,0,0|1,0,0]=2 244 B9R1.89 OCC1CCCCCC1 CS-0144557 [0,0,0,1,0,0|0,0,0]=1 245 B9R1.89 OCC1CCCCNC1 CS-0049917 [0,0,0,1,0,0|1,0,0]=2 246 B9R1.89 ONC1=NCCCCC1 CS-0449006 [0,0,0,1,0,0|2,0,1]=4 247 B9R1.103 C1CNCCNCCN1 CS-0105719 [0,0,0,1,0,0|3,0,0]=4 248 B9R1.103 C1CNCCNCCN1 CS-W006212 [0,0,0,1,0,0|3,0,0]=4 249 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.6 C#CCCCCO CS-W016659 [2,0,0,0,0,0|0,0,2]=4 251 B6R0.6 C(CC)=CCCO CS-W009552 [2,0,0,0,0,0|0,0,2]=4 252 B6R0.6 C(CO)=CCCC CS-W016652 [2,0,0,0,0,0|0,0,2]=4 253 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|0,0,2]=4 254 B6R0.6 CCC#CCCO CS-0040171 [2,0,0,0,0,0|0,0,2]=4 255 B6R0.6 CCCCCCI CS-0132388 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.6 CCCCCCN CS-0196786 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.6 CCCNCCC CS-0187381 [2,0,0,0,0,0|1,0,0]=3 258 B6R0.6 CCCNCCC CS-0214120 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.6 CCCNCCO CS-0105782 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.6 CCCOCCCl CS-0200392 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.6 CCNCCCN CS-0151962 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.6 CCOCCCO CS-W013685 [2,0,0,0,0,0|1,0,0]=3 263 B6R0.6 CC\C=C/CCO CS-W011323 [2,0,0,0,0,0|0,0,2]=4 264 B6R0.6 CNCCCCBr CS-0163109 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.6 CNCCCCO CS-W006493 [2,0,0,0,0,0|1,0,0]=3 266 B6R0.6 COCCCCBr CS-W021313 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.6 COCCCCCl CS-0039726 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.6 COCCCCO CS-0150179 [2,0,0,0,0,0|1,0,0]=3 269 B6R0.6 CSCCCCO CS-0204406 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.6 ClCCCCCBr CS-W016940 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.6 ClCCCCCI CS-0135342 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.6 FCCCCCBr CS-W005161 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.6 ICCCCCI CS-0041009 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.6 NCCCCCBr CS-0006784 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.6 NCCCCCN CS-W017466 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.6 NCCCCCO CS-W013687 [2,0,0,0,0,0|1,0,0]=3 277 B6R0.6 NCCNCCO CS-W011299 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.6 NCCOCCO CS-1013822 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.6 NCCOCCO CS-1013830 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.6 NCCOCCO CS-1014116 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.6 OCCCCCBr CS-0905394 [2,0,0,0,0,0|1,0,0]=3 282 B6R0.6 OCCCCCBr CS-W007393 [2,0,0,0,0,0|1,0,0]=3 283 B6R0.6 OCCCCCCl CS-0095410 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.6 OCCCCCI CS-0252955 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.6 OCCNCCCl CS-0064563 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.6 OCCOCCBr CS-0114928 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.6 OCCOCCCl CS-0016058 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 OCCOCCF CS-0199113 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.6 OCCOCCI CS-0139452 [2,0,0,0,0,0|2,0,0]=4 291 B8R0.1 CCCCC(O)CCC CS-0362569 [1,1,0,0,0,0|0,0,0]=2 292 B8R0.1 CCCCN(C)CCO CS-0132259 [1,1,0,0,0,0|1,0,0]=3 293 B8R0.6 C#CC(O)CCCCC CS-W011154 [1,1,0,0,0,0|0,0,2]=4 294 B8R0.6 C=CC(O)CCCCC CS-W011126 [1,1,0,0,0,0|0,0,2]=4 295 B8R0.6 CCCCCC(O)CC CS-0152331 [1,1,0,0,0,0|0,0,0]=2 296 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [1,1,0,0,0,0|0,0,0]=2 297 B8R0.6 COC(=O)CCCCO CS-0021769 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.7 CC(C)CCCCCO CS-0210352 [1,1,0,0,0,0|0,0,0]=2 299 B8R0.7 CC(C)CCCCCO CS-0641181 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.7 CC(C)NCCCCO CS-M3069 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.7 CCCCCCB(O)O CS-W000880 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.7 CCCCCCC(C)=O CS-W011125 [1,1,0,0,0,0|0,0,1]=3 303 B8R0.7 CCCCCCC(C)Br CS-0182749 [1,1,0,0,0,0|0,0,0]=2 304 B8R0.7 CCCCCCC(C)O CS-W011107 [1,1,0,0,0,0|0,0,0]=2 305 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [1,1,0,0,0,0|0,0,0]=2 306 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [1,1,0,0,0,0|0,0,0]=2 307 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [1,1,0,0,0,0|0,0,0]=2 308 B8R0.7 CCCCOCC(=O)O CS-0152080 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.7 CN(C)CCCCCN CS-0044781 [1,1,0,0,0,0|2,0,0]=4 310 B8R0.7 CN(C)CCOCCO CS-W011078 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.7 FC(F)CCCCCBr CS-0639269 [1,1,0,0,0,0|2,0,0]=4 312 B8R0.7 NCCCCCC(=O)O CS-2204 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.7 O=C(O)CCCCCBr CS-W007559 [1,1,0,0,0,0|1,0,1]=4 314 B8R0.7 O=C(O)CCCCCCl CS-W018132 [1,1,0,0,0,0|1,0,1]=4 315 B8R0.7 O=C(O)CCCCCO CS-0158392 [1,1,0,0,0,0|1,0,1]=4 316 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [1,1,0,0,0,0|1,0,1]=4 317 B8R0.7 O=C([O-])CCCCCO CS-0158395 [1,1,0,0,0,0|1,0,1]=4 318 B10R0.3 CC(C)=CCCC(C)CCO CS-W010917 [0,2,0,0,0,0|0,0,2]=4 319 B10R0.3 CC(C)=CCC[C@H](C)CCO CS-W016231 [0,2,0,0,0,0|0,0,2]=4 320 B10R0.3 CC(C)CCCC(C)CCBr CS-W014739 [0,2,0,0,0,0|1,0,0]=3 321 B10R0.3 CC(C)CCCC(C)CCO CS-W010892 [0,2,0,0,0,0|0,0,0]=2 322 B10R0.3 CC(C)CCC[C@H](C)CCO CS-0695932 [0,2,0,0,0,0|0,0,0]=2 323 B10R0.3 CCCC(=O)CCCC(=O)O CS-0323350 [0,2,0,0,0,0|0,0,2]=4 324 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [0,2,0,0,0,0|0,0,2]=4 325 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [0,2,0,0,0,0|1,0,1]=4 326 B10R0.4 CCCCCCCCB(O)O CS-W000909 [0,2,0,0,0,0|0,0,0]=2 327 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [0,2,0,0,0,0|0,0,0]=2 328 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [0,2,0,0,0,0|0,0,1]=3 329 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [0,2,0,0,0,0|0,0,1]=3 330 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [0,2,0,0,0,0|0,0,1]=3 331 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [0,2,0,0,0,0|0,0,1]=3 332 B10R0.6 NCCCC[C@H](N)CC(=O)O CS-0201780 [0,2,0,0,0,0|1,0,1]=4 333 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [0,2,0,0,0,0|0,0,2]=4 334 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [0,2,0,0,0,0|0,0,1]=3 335 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [0,2,0,0,0,0|0,0,1]=3 336 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [0,2,0,0,0,0|0,0,1]=3 337 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [0,2,0,0,0,0|1,0,1]=4 338 B10R0.74 COC(=O)CCCCCCN CS-W004807 [0,2,0,0,0,0|1,0,1]=4 339 B10R0.74 COC(=O)CCCCCCO CS-0059718 [0,2,0,0,0,0|0,0,1]=3 340 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [0,2,0,0,0,0|0,0,1]=3 341 B10R0.75 CCCCCCC(O)C(=O)O CS-W016160 [0,2,0,0,0,0|0,0,1]=3 342 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [0,2,0,0,0,0|0,0,1]=3 343 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,2,0,0,0,0|0,0,1]=3 344 B10R0.78 CCCCC(C)CCC(=O)O CS-W010894 [0,2,0,0,0,0|0,0,1]=3 345 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,2,0,0,0,0|0,0,2]=4 346 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [0,2,0,0,0,0|1,0,1]=4 347 B10R0.1 CCCCCCC(O)CCC CS-0320716 [0,2,0,0,0,0|1,0,0]=3 348 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [0,2,0,0,0,0|1,0,1]=4 349 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|0,0,1]=3 350 B10R0.91 CCCCOC(=O)CCCC CS-W016199 [0,2,0,0,0,0|1,0,1]=4 351 B10R0.156 CCCCCC(C)(O)CCC CS-0128343 [0,2,0,0,0,0|1,0,0]=3 352 B10R0.16 CCCCN(C#N)CCCC CS-0196971 [0,2,0,0,0,0|2,0,0]=4 353 B10R0.16 CCCCN(C=O)CCCC CS-0187560 [0,2,0,0,0,0|2,0,0]=4 354 B10R0.116 CCCC[Si](Cl)(Cl)CCCC CS-0168454 [0,2,0,0,0,0|1,1,0]=4 355 B10R0.71 BrCCCCCCCCCBr CS-W020735 [0,2,0,0,0,0|1,0,0]=3 356 B10R0.71 C#CCCCCCCCCC CS-0206842 [0,2,0,0,0,0|1,0,0]=3 357 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [0,2,0,0,0,0|0,0,2]=4 358 B10R0.71 C=C=CCCCCCCCC CS-1014355 [0,2,0,0,0,0|1,0,0]=3 359 B10R0.71 C=CCCCCCCCCBr CS-W013154 [0,2,0,0,0,0|1,0,0]=3 360 B10R0.71 C=CCCCCCCCCO CS-0158001 [0,2,0,0,0,0|0,0,0]=2 361 B10R0.71 CCCCC=C=CCCCO CS-1173694 [0,2,0,0,0,0|0,0,1]=3 362 B10R0.71 CCCCCC=C=CCCO CS-1173691 [0,2,0,0,0,0|0,0,1]=3 363 B10R0.71 CCCCCCCCCCCl CS-W017386 [0,2,0,0,0,0|1,0,0]=3 364 B10R0.71 CCCCCCCCCCI CS-0196431 [0,2,0,0,0,0|1,0,0]=3 365 B10R0.71 CCCCCCCCCCN CS-W016217 [0,2,0,0,0,0|1,0,0]=3 366 B10R0.71 CCCCCCCCCCO CS-0015994 [0,2,0,0,0,0|0,0,0]=2 367 B10R0.71 CCOCCNCCOCC CS-0621685 [0,2,0,0,0,0|2,0,0]=4 368 B10R0.71 CNCCOCCOCCO CS-0114305 [0,2,0,0,0,0|1,0,0]=3 369 B10R0.71 COCCCOCCCOC CS-0570789 [0,2,0,0,0,0|1,0,0]=3 370 B10R0.71 COCCOCCOCCBr CS-0145864 [0,2,0,0,0,0|2,0,0]=4 371 B10R0.71 COCCOCCOCCCl CS-0145865 [0,2,0,0,0,0|2,0,0]=4 372 B10R0.71 COCCOCCOCCI CS-0668835 [0,2,0,0,0,0|2,0,0]=4 373 B10R0.71 COCCOCCOCCN CS-W018960 [0,2,0,0,0,0|2,0,0]=4 374 B10R0.71 COCCOCCOCCO CS-0114074 [0,2,0,0,0,0|1,0,0]=3 375 B10R0.71 COCCOCCOCCO CS-0850473 [0,2,0,0,0,0|1,0,0]=3 376 B10R0.71 COCCOCCOCCS CS-0116177 [0,2,0,0,0,0|1,1,0]=4 377 B10R0.71 COCCOCOCCOC CS-0206384 [0,2,0,0,0,0|2,0,0]=4 378 B10R0.71 ClCCCCCCCCCCl CS-W001919 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.71 ClCCCCOCCCCCl CS-0158349 [0,2,0,0,0,0|1,0,0]=3 380 B10R0.71 NCCCCCCCCCN CS-0158368 [0,2,0,0,0,0|1,0,0]=3 381 B10R0.71 NCCCCCCCCCO CS-0374982 [0,2,0,0,0,0|0,0,0]=2 382 B10R0.71 NCCCOCCOCCO CS-0182632 [0,2,0,0,0,0|1,0,0]=3 383 B10R0.71 NCCNCCCNCCN CS-W016154 [0,2,0,0,0,0|2,0,0]=4 384 B10R0.71 OCCCCCCCCCBr CS-B0284 [0,2,0,0,0,0|0,0,0]=2 385 B10R0.71 OCCCCCCCCCCl CS-0158372 [0,2,0,0,0,0|0,0,0]=2 386 B10R0.71 OCCCCCCCCCO CS-0008364 [0,2,0,0,0,0|0,0,0]=2 387 B10R0.71 OCCCCOCCCCO CS-0158348 [0,2,0,0,0,0|0,0,0]=2 388 B10R0.71 OCCOCCCOCCO CS-0147765 [0,2,0,0,0,0|1,0,0]=3 389 B10R0.41 CCN(CC)CCOCCO CS-0152025 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.2 BrCC1CCCCC1 CS-W007517 [1,0,0,1,0,0|1,0,0]=3 391 B8R1.2 BrCC1CCCCO1 CS-0214963 [1,0,0,1,0,0|1,0,0]=3 392 B8R1.2 BrCC1CCNCC1 CS-W001304 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.2 BrCC1CCOCC1 CS-W003105 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.2 C#CC1CCCCC1 CS-W022720 [1,0,0,1,0,0|0,0,2]=4 395 B8R1.2 CCC1CCNCC1 CS-0147296 [1,0,0,1,0,0|1,0,0]=3 396 B8R1.2 CCC1CNCCN1 CS-D0270 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.2 CCC1CNCCO1 CS-0080681 [1,0,0,1,0,0|1,0,0]=3 398 B8R1.2 CCC1COCCN1 CS-0059261 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [1,0,0,1,0,0|1,0,0]=3 400 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [1,0,0,1,0,0|2,0,0]=4 403 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [1,0,0,1,0,0|1,0,0]=3 404 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.2 CNC1CCCNC1 CS-W016863 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.2 CNC1CCNCC1 CS-0048783 [1,0,0,1,0,0|2,0,0]=4 407 B8R1.2 CNC1CCOCC1 CS-D1570 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.2 COC1CCCCO1 CS-0197358 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.2 COC1CCCNC1 CS-0051284 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.2 COC1CCCNC1 CS-0150202 [1,0,0,1,0,0|2,0,0]=4 411 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 412 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 413 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [1,0,0,1,0,0|2,0,0]=4 414 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [1,0,0,1,0,0|2,0,0]=4 415 B8R1.2 CSC1CCNCC1 CS-0051141 [1,0,0,1,0,0|2,0,0]=4 416 B8R1.2 ClCC1CCNCC1 CS-0051167 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.2 ClCC1CCOCC1 CS-0069602 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.2 ClCC1CNCCO1 CS-0060823 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.2 FCC1CCCNC1 CS-W001354 [1,0,0,1,0,0|2,0,0]=4 420 B8R1.2 ICC1CCCCC1 CS-0155327 [1,0,0,1,0,0|1,0,0]=3 421 B8R1.2 ICC1CCCCO1 CS-0058218 [1,0,0,1,0,0|1,0,0]=3 422 B8R1.2 ICC1CCOCC1 CS-W001910 [1,0,0,1,0,0|2,0,0]=4 423 B8R1.2 N#CC1CCCCC1 CS-W019522 [1,0,0,1,0,0|1,0,1]=4 424 B8R1.2 NCC1CCCCN1 CS-W011240 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.2 NCC1CCCNC1 CS-0028231 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.2 NCC1CCCOC1 CS-0048770 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.2 NCC1CCNCC1 CS-W011241 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.2 NCC1CCOCC1 CS-0036420 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.2 NCC1CCOCC1 CS-W008973 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.2 NCC1CCSCC1 CS-0045666 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.2 NCC1CNCCO1 CS-0046184 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.2 NCC1COCCO1 CS-0055041 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.2 NNC1CCCCC1 CS-W007595 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.2 NOC1CCCCO1 CS-W007325 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.2 OCC1CC=CCC1 CS-W013655 [1,0,0,1,0,0|0,0,2]=4 438 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|0,0,0]=2 439 B8R1.2 OCC1CCCCN1 CS-W013620 [1,0,0,1,0,0|1,0,0]=3 440 B8R1.2 OCC1CCCCO1 CS-0034490 [1,0,0,1,0,0|1,0,0]=3 441 B8R1.2 OCC1CCCNC1 CS-W001981 [1,0,0,1,0,0|1,0,0]=3 442 B8R1.2 OCC1CCCOC1 CS-D0478 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.2 OCC1CCNCC1 CS-0185406 [1,0,0,1,0,0|1,0,0]=3 444 B8R1.2 OCC1CCNCC1 CS-W002476 [1,0,0,1,0,0|1,0,0]=3 445 B8R1.2 OCC1CCOCC1 CS-D1227 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.2 OCC1CCSCC1 CS-0053969 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.2 OCC1CNCCN1 CS-0146587 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.2 OCC1CNCCO1 CS-0106282 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.2 OCC1CNCCO1 CS-W022892 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.2 OCC1COCCN1 CS-0053095 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.2 OCC1COCCN1 CS-0104915 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.2 OCC1COCCO1 CS-0130467 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [1,0,0,1,0,0|1,0,0]=3 454 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [1,0,0,1,0,0|1,0,0]=3 455 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [1,0,0,1,0,0|1,0,0]=3 456 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [1,0,0,1,0,0|1,0,0]=3 462 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [1,0,0,1,0,0|1,0,0]=3 463 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [1,0,0,1,0,0|1,0,0]=3 464 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [1,0,0,1,0,0|2,0,0]=4 468 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [1,0,0,1,0,0|2,0,0]=4 471 B8R1.2 ONC1CCCCC1 CS-0155321 [1,0,0,1,0,0|1,0,0]=3 472 B8R1.5 CC1CCCCC1N CS-W013646 [1,0,0,1,0,0|1,0,0]=3 473 B8R1.5 CC1CNCCC1O CS-0051241 [1,0,0,1,0,0|1,0,0]=3 474 B8R1.5 CC1CNCCN1C CS-W005051 [1,0,0,1,0,0|2,0,0]=4 475 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [1,0,0,1,0,0|1,0,0]=3 479 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [1,0,0,1,0,0|1,0,0]=3 480 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.5 NC1CCCCC1N CS-0514846 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.5 NC1CCCCC1O CS-0128497 [1,0,0,1,0,0|1,0,0]=3 485 B8R1.5 NC1CCCCC1O CS-0330487 [1,0,0,1,0,0|1,0,0]=3 486 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [1,0,0,1,0,0|1,0,0]=3 487 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [1,0,0,1,0,0|2,0,0]=4 488 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [1,0,0,1,0,0|1,0,0]=3 490 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [1,0,0,1,0,0|1,0,0]=3 491 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [1,0,0,1,0,0|1,0,0]=3 492 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [1,0,0,1,0,0|1,0,0]=3 493 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [1,0,0,1,0,0|2,0,0]=4 495 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [1,0,0,1,0,0|1,0,0]=3 497 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [1,0,0,1,0,0|1,0,0]=3 498 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [1,0,0,1,0,0|1,0,0]=3 500 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [1,0,0,1,0,0|2,0,0]=4 502 B8R1.5 O=C1CCCCC1O CS-0262973 [1,0,0,1,0,0|1,0,1]=4 503 B8R1.5 OC1CCCCC1Cl CS-W016535 [1,0,0,1,0,0|1,0,0]=3 504 B8R1.5 OC1CCCCC1O CS-0155355 [1,0,0,1,0,0|1,0,0]=3 505 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [1,0,0,1,0,0|1,0,0]=3 506 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [1,0,0,1,0,0|1,0,0]=3 508 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.8 BrCCC1OCCO1 CS-W019935 [1,0,0,1,0,0|2,0,0]=4 511 B8R1.8 BrCCN1CCCC1 CS-0040578 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.8 CNCC1CCCN1 CS-0162490 [1,0,0,1,0,0|2,0,0]=4 514 B8R1.8 CNCC1CCOC1 CS-0048865 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [1,0,0,1,0,0|2,0,0]=4 516 B8R1.8 COCC1CCNC1 CS-0058668 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.8 ClCCN1CCCC1 CS-D1148 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.8 N#CCC1CCCC1 CS-0060786 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.8 NCCC1CCCC1 CS-W006125 [1,0,0,1,0,0|1,0,0]=3 522 B8R1.8 NCCN1CCCC1 CS-D1372 [1,0,0,1,0,0|2,0,0]=4 523 B8R1.8 OCCC1CCCC1 CS-0055010 [1,0,0,1,0,0|0,0,0]=2 524 B8R1.8 OCCC1CCCO1 CS-0451231 [1,0,0,1,0,0|1,0,0]=3 525 B8R1.8 OCCC1CCOC1 CS-0240119 [1,0,0,1,0,0|1,0,0]=3 526 B8R1.8 OCCN1CCOC1 CS-0374348 [1,0,0,1,0,0|2,0,0]=4 527 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.11 CCC1CCCC1=O CS-0152470 [1,0,0,1,0,0|0,0,2]=4 529 B8R1.11 CN1CCCC1CN CS-0128646 [1,0,0,1,0,0|2,0,0]=4 530 B8R1.11 CN1CCCC1CO CS-W019511 [1,0,0,1,0,0|1,0,0]=3 531 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [1,0,0,1,0,0|2,0,0]=4 532 B8R1.11 CN1CCC[C@@H]1CO CS-W003381 [1,0,0,1,0,0|1,0,0]=3 533 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.11 CN1CCC[C@H]1CN CS-0053063 [1,0,0,1,0,0|2,0,0]=4 535 B8R1.11 CN1CCC[C@H]1CN CS-0128648 [1,0,0,1,0,0|2,0,0]=4 536 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [1,0,0,1,0,0|1,0,0]=3 537 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0047754 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-0172749 [1,0,0,1,0,0|1,0,0]=3 539 B8R1.11 N#C[C@@H]1CCC[C@H]1O CS-0160316 [1,0,0,1,0,0|1,0,1]=4 540 B8R1.11 O=C1CCCC1CO CS-0136671 [1,0,0,1,0,0|1,0,1]=4 541 B8R1.11 OC[C@H]1OCC[C@@H]1O CS-0089202 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.22 BrC1CCCCCC1 CS-0146614 [1,0,0,1,0,0|1,0,0]=3 543 B8R1.22 CC1CCCNCC1 CS-0199646 [1,0,0,1,0,0|1,0,0]=3 544 B8R1.22 CN1CCCNCC1 CS-W013631 [1,0,0,1,0,0|2,0,0]=4 545 B8R1.22 ClC1CCCCCC1 CS-0155300 [1,0,0,1,0,0|1,0,0]=3 546 B8R1.22 FC1CCCCNC1 CS-0308682 [1,0,0,1,0,0|2,0,0]=4 547 B8R1.22 NC1CCCCCC1 CS-0071927 [1,0,0,1,0,0|1,0,0]=3 548 B8R1.22 NC1CCCCNC1 CS-W002928 [1,0,0,1,0,0|2,0,0]=4 549 B8R1.22 NC1CCCNCC1 CS-0271304 [1,0,0,1,0,0|2,0,0]=4 550 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [1,0,0,1,0,0|2,0,0]=4 551 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [1,0,0,1,0,0|2,0,0]=4 552 B8R1.22 OC1CCCCCC1 CS-W013633 [1,0,0,1,0,0|0,0,0]=2 553 B8R1.22 OC1CCCCNC1 CS-0475252 [1,0,0,1,0,0|1,0,0]=3 554 B8R1.22 OC1CCCNCC1 CS-0038201 [1,0,0,1,0,0|1,0,0]=3 555 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [1,0,0,1,0,0|2,0,0]=4 557 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [1,0,0,1,0,0|2,0,0]=4 558 B8R1.36 CCCCCC1CO1 CS-0205209 [1,0,0,1,0,0|0,0,0]=2 559 B8R1.49 C1=CCCCCCC1 CS-0035172 [1,0,0,1,0,0|0,0,2]=4 560 B8R1.49 C1CCCNCCC1 CS-0204387 [1,0,0,1,0,0|1,0,0]=3 561 B10R1.10 CCCC1CCCC(=O)O1 CS-W018288 [0,1,0,1,0,0|0,0,1]=3 562 B10R1.10 COCC1CNCC(C)O1 CS-0236261 [0,1,0,1,0,0|2,0,0]=4 563 B10R1.10 N[C@@H]1CCCN(CCO)C1 CS-0343609 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [0,1,0,1,0,0|0,0,1]=3 565 B10R1.18 CC(=O)CC1CCCCC1 CS-0155063 [0,1,0,1,0,0|0,0,2]=4 566 B10R1.18 CC(C)C[C@@H]1COCCN1 CS-0154321 [0,1,0,1,0,0|2,0,0]=4 567 B10R1.18 CC(C)NC1CCCCC1 CS-0075695 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.18 CN(C)CC1CNCCO1 CS-W005081 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [0,1,0,1,0,0|0,0,1]=3 570 B10R1.18 O=C(O)CC1CCCCN1 CS-0217095 [0,1,0,1,0,0|1,0,1]=4 571 B10R1.18 O=C(O)CC1CCCCO1 CS-0069618 [0,1,0,1,0,0|1,0,1]=4 572 B10R1.18 O=C(O)CC1CCCNC1 CS-0037060 [0,1,0,1,0,0|1,0,1]=4 573 B10R1.18 O=C(O)CC1CCCNC1 CS-W001896 [0,1,0,1,0,0|1,0,1]=4 574 B10R1.18 O=C(O)CC1CCCOC1 CS-0120163 [0,1,0,1,0,0|1,0,1]=4 575 B10R1.18 O=C(O)CC1CCNCC1 CS-W001879 [0,1,0,1,0,0|1,0,1]=4 576 B10R1.18 O=C(O)CC1CCNCC1 CS-W002877 [0,1,0,1,0,0|1,0,1]=4 577 B10R1.18 O=C(O)CC1CCOCC1 CS-W001906 [0,1,0,1,0,0|1,0,1]=4 578 B10R1.18 O=C(O)CN1CCCCC1 CS-0067848 [0,1,0,1,0,0|1,0,1]=4 579 B10R1.18 OB(O)CC1CCCCC1 CS-W000907 [0,1,0,1,0,0|1,0,0]=3 580 B10R1.39 CC(=O)N1CCC[C@@H]1CO CS-0242767 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.39 CC(=O)N1CCC[C@H]1CO CS-0256427 [0,1,0,1,0,0|1,0,1]=4 582 B10R1.61 CC1CCCCC1C(=O)O CS-W018286 [0,1,0,1,0,0|0,0,1]=3 583 B10R1.61 CC1NCCCC1C(=O)O CS-0196596 [0,1,0,1,0,0|1,0,1]=4 584 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N CS-0090931 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N CS-0103160 [0,1,0,1,0,0|2,0,0]=4 586 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O CS-0151359 [0,1,0,1,0,0|1,0,0]=3 587 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N CS-W018664 [0,1,0,1,0,0|2,0,0]=4 588 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.61 CN1CCCC[C@@H]1C(=O)O CS-0030802 [0,1,0,1,0,0|1,0,1]=4 590 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|1,0,1]=4 591 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O CS-0131300 [0,1,0,1,0,0|1,0,1]=4 592 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0130250 [0,1,0,1,0,0|1,0,1]=4 593 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O CS-0131302 [0,1,0,1,0,0|1,0,1]=4 594 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O CS-0130601 [0,1,0,1,0,0|1,0,1]=4 595 B10R1.61 O=C(O)C1CCCCC1O CS-W006852 [0,1,0,1,0,0|1,0,1]=4 596 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [0,1,0,1,0,0|0,0,1]=3 597 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [0,1,0,1,0,0|1,0,1]=4 598 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,2]=4 599 B10R1.133 CC1(C)CCCN1CCN CS-0498618 [0,1,0,1,0,0|2,0,0]=4 600 B10R1.348 O=C(O)C1CCCCCC1 CS-W007921 [0,1,0,1,0,0|0,0,1]=3 601 B10R1.348 O=C(O)C1CCCCCN1 CS-0054144 [0,1,0,1,0,0|1,0,1]=4 602 B10R1.11 CCOC(=O)C1CCCO1 CS-0109401 [0,1,0,1,0,0|1,0,1]=4 603 B10R1.11 N#CC[C@H](O)C1CCCC1 CS-0492690 [0,1,0,1,0,0|1,0,1]=4 604 B10R1.19 CCN1CCCCCC1=O CS-0999264 [0,1,0,1,0,0|0,0,2]=4 605 B10R1.21 BrCCCCC1OCCO1 CS-D0360 [0,1,0,1,0,0|1,0,0]=3 606 B10R1.21 C#CCCNC1CCCC1 CS-0231309 [0,1,0,1,0,0|1,0,1]=4 607 B10R1.21 CCCCOB1CCCO1 CS-0311905 [0,1,0,1,0,0|1,0,0]=3 608 B10R1.21 ClCCCCC1OCCO1 CS-0158365 [0,1,0,1,0,0|1,0,0]=3 609 B10R1.21 NCCCCN1CCCC1 CS-W018273 [0,1,0,1,0,0|1,0,0]=3 610 B10R1.29 CCCCN1CCCC1=O CS-W016436 [0,1,0,1,0,0|0,0,2]=4 611 B10R1.29 O=C1CCCN1CCCO CS-W013319 [0,1,0,1,0,0|1,0,1]=4 612 B10R1.85 ClCCN1CCCCCC1 CS-0008534 [0,1,0,1,0,0|1,0,0]=3 613 B10R1.85 NCCN1CCCCCC1 CS-0112526 [0,1,0,1,0,0|1,0,0]=3 614 B10R1.85 OCCN1CCCCCC1 CS-B0251 [0,1,0,1,0,0|0,0,0]=2 615 B10R1.138 CCCC(=O)OC[C@@H]1CO1 CS-0135409 [0,1,0,1,0,0|1,0,1]=4 616 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,1,0,1,0,0|1,0,1]=4 617 B10R1.377 CCC[N+]1(C)CCCCC1 CS-0152568 [0,1,0,1,0,0|2,0,0]=4 618 B10R1.4 CC1CCCCN1CCN CS-0216353 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.17 BrCCCC1CCCCC1 CS-0256953 [0,1,0,1,0,0|1,0,0]=3 620 B10R1.17 BrCCCN1CCCCC1 CS-0090201 [0,1,0,1,0,0|1,0,0]=3 621 B10R1.17 BrCCCN1CCOCC1 CS-0119129 [0,1,0,1,0,0|2,0,0]=4 622 B10R1.17 BrCCCN1CCOCC1 CS-0507551 [0,1,0,1,0,0|2,0,0]=4 623 B10R1.17 BrCCOC1CCCCC1 CS-0139366 [0,1,0,1,0,0|1,0,0]=3 624 B10R1.17 BrCCOC1CCCCO1 CS-W015177 [0,1,0,1,0,0|1,0,0]=3 625 B10R1.17 C#CCCC1CCNCC1 CS-0142920 [0,1,0,1,0,0|1,0,1]=4 626 B10R1.17 C#CCCN1CCCCC1 CS-0158544 [0,1,0,1,0,0|1,0,1]=4 627 B10R1.17 C#CCOC1CCCCO1 CS-0038687 [0,1,0,1,0,0|0,0,2]=4 628 B10R1.17 CCCCC1CCNCC1 CS-W022127 [0,1,0,1,0,0|1,0,0]=3 629 B10R1.17 CCCCN1CCNCC1 CS-0071868 [0,1,0,1,0,0|2,0,0]=4 630 B10R1.17 CCNCC1CCOCC1 CS-0225520 [0,1,0,1,0,0|2,0,0]=4 631 B10R1.17 CNCCN1CCCCC1 CS-1171799 [0,1,0,1,0,0|2,0,0]=4 632 B10R1.17 COCCC1CCCCN1 CS-0150180 [0,1,0,1,0,0|1,0,0]=3 633 B10R1.17 COCCC1CCNCC1 CS-0051205 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.17 COCCN1CCNCC1 CS-W002493 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.17 ClCCCN1CCCCC1 CS-0132433 [0,1,0,1,0,0|1,0,0]=3 636 B10R1.17 ClCCOC1CCCCO1 CS-W013242 [0,1,0,1,0,0|1,0,0]=3 637 B10R1.17 NCCCC1CCCCC1 CS-0054184 [0,1,0,1,0,0|1,0,0]=3 638 B10R1.17 NCCCN1CCCCC1 CS-0105129 [0,1,0,1,0,0|1,0,0]=3 639 B10R1.17 NCCCN1CCOCC1 CS-0008472 [0,1,0,1,0,0|2,0,0]=4 640 B10R1.17 OCCCC1CCCCC1 CS-0186817 [0,1,0,1,0,0|0,0,0]=2 641 B10R1.17 OCCCC1CCCCN1 CS-0231857 [0,1,0,1,0,0|0,0,0]=2 642 B10R1.17 OCCCC1CCNCC1 CS-W002891 [0,1,0,1,0,0|0,0,0]=2 643 B10R1.17 OCCCN1CCCCC1 CS-M2498 [0,1,0,1,0,0|0,0,0]=2 644 B10R1.17 OCCCN1CCNCC1 CS-W016377 [0,1,0,1,0,0|1,0,0]=3 645 B10R1.17 OCCCN1CCOCC1 CS-W002821 [0,1,0,1,0,0|1,0,0]=3 646 B10R1.17 OCCNC1CCCCC1 CS-W016410 [0,1,0,1,0,0|0,0,0]=2 647 B10R1.17 OCCOC1CCCCC1 CS-0216198 [0,1,0,1,0,0|0,0,0]=2 648 B10R1.17 OCCOC1CCCCO1 CS-0096278 [0,1,0,1,0,0|1,0,0]=3 649 B10R1.216 CC1(CCCN)OCCO1 CS-0326704 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.216 CCCC[N+]1(C)CCCC1 CS-0130640 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.216 CCCC[N+]1(C)CCCC1 CS-W014241 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.216 CCCC[N+]1(C)CCCC1 CS-W017354 [0,1,0,1,0,0|2,0,0]=4 653 B10R1.20 CNC1CCCCC1NC CS-W003243 [0,1,0,1,0,0|2,0,0]=4 654 B10R1.20 CN[C@@H]1CCCC[C@H]1NC CS-0028239 [0,1,0,1,0,0|2,0,0]=4 655 B10R1.20 CN[C@@H]1CCCC[C@H]1NC CS-W007327 [0,1,0,1,0,0|2,0,0]=4 656 B10R1.20 CN[C@@H]1CCCC[C@H]1NC CS-W018480 [0,1,0,1,0,0|2,0,0]=4 657 B10R1.20 CN[C@H]1CCCC[C@@H]1NC CS-W013321 [0,1,0,1,0,0|2,0,0]=4 658 B10R1.20 OC[C@@H]1CCCC[C@H]1CO CS-0028229 [0,1,0,1,0,0|0,0,0]=2 659 B10R1.20 OC[C@H]1CCCC[C@@H]1CO CS-0135650 [0,1,0,1,0,0|0,0,0]=2 660 B10R1.20 OC[C@H]1CCCC[C@H]1CO CS-W016382 [0,1,0,1,0,0|0,0,0]=2 661 B10R1.161 NCC1CCC=CCCC1 CS-0310800 [0,1,0,1,0,0|1,0,1]=4 662 B10R1.161 OCC1CCCCCCC1 CS-0072541 [0,1,0,1,0,0|0,0,0]=2 663 B10R1.161 ON=C1CCCCCCC1 CS-0368253 [0,1,0,1,0,0|0,0,1]=3 664 B10R1.1 CC1CCN(CCO)CC1 CS-0217252 [0,1,0,1,0,0|1,0,0]=3 665 B10R1.1 CCCC1CCC(=O)CC1 CS-W002273 [0,1,0,1,0,0|1,0,1]=4 666 B10R1.1 CCO[C@H]1CC[C@H](N)CC1 CS-0434286 [0,1,0,1,0,0|2,0,0]=4 667 B10R1.1 CN1CCC(CCO)CC1 CS-0052318 [0,1,0,1,0,0|1,0,0]=3 668 B10R1.1 CN1CCN(CCO)CC1 CS-W003127 [0,1,0,1,0,0|2,0,0]=4 669 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 CS-0052087 [0,1,0,1,0,0|1,0,1]=4 670 B10R1.1 NC1CCN(CCF)CC1 CS-0090480 [0,1,0,1,0,0|2,0,0]=4 671 B10R1.1 NCCN1CCC(O)CC1 CS-0067956 [0,1,0,1,0,0|2,0,0]=4 672 B10R1.1 NCCN1CCC(O)CC1 CS-0137985 [0,1,0,1,0,0|2,0,0]=4 673 B10R1.1 O=C1CCC(CCO)CC1 CS-0054946 [0,1,0,1,0,0|0,0,1]=3 674 B10R1.15 CCC(=O)C1CCCCC1 CS-0069673 [0,1,0,1,0,0|1,0,1]=4 675 B10R1.15 CCC(O)C1CCNCC1 CS-0083895 [0,1,0,1,0,0|2,0,0]=4 676 B10R1.15 CC[C@H](N)C1CCCCC1 CS-0153930 [0,1,0,1,0,0|1,0,0]=3 677 B10R1.15 COC(=O)C1CCCCO1 CS-W001905 [0,1,0,1,0,0|1,0,1]=4 678 B10R1.15 N#CC(N)C1CCCCC1 CS-0226681 [0,1,0,1,0,0|1,0,1]=4 679 B10R1.15 N[C@@H](CO)C1CCCCC1 CS-0088060 [0,1,0,1,0,0|0,0,0]=2 680 B10R1.15 N[C@H](CO)C1CCCCC1 CS-0028729 [0,1,0,1,0,0|0,0,0]=2 681 B10R1.15 O=C(CBr)C1CCCCC1 CS-W020448 [0,1,0,1,0,0|1,0,1]=4 682 B10R2.6 C1CC(C2CC2)CCN1 CS-0047362 [0,0,0,2,0,0|2,0,0]=4 683 B10R2.7 C1CC2CNCCN2C1 CS-0002040 [0,0,0,2,0,0|2,0,0]=4 684 B10R2.7 C1CCC2CNCC2C1 CS-W018719 [0,0,0,2,0,0|1,0,0]=3 685 B10R2.7 [C@@H]12CCCN1CCNC2 CS-0053109 [0,0,0,2,0,0|2,0,0]=4 686 B10R2.7 [C@@H]12CCCN[C@@H]1CNC2 CS-W013491 [0,0,0,2,0,0|2,0,0]=4 687 B10R2.7 [C@H]12CCCC[C@H]1CNC2 CS-0094477 [0,0,0,2,0,0|1,0,0]=3 688 B10R2.7 [C@H]12CCCC[C@H]1CNC2 CS-0145443 [0,0,0,2,0,0|1,0,0]=3 689 B10R2.7 [C@H]12CCCN1CCNC2 CS-B1054 [0,0,0,2,0,0|2,0,0]=4 690 B10R2.7 [C@H]12CCCN[C@H]1CNC2 CS-W005708 [0,0,0,2,0,0|2,0,0]=4 691 B10R2.62 NC1CN2CCC1CC2 CS-M0938 [0,0,0,2,0,0|2,0,0]=4 692 B10R2.62 N[C@@H]1CN2CCC1CC2 CS-B0281 [0,0,0,2,0,0|2,0,0]=4 693 B10R2.62 N[C@@H]1CN2CCC1CC2 CS-M1833 [0,0,0,2,0,0|2,0,0]=4 694 B10R2.62 N[C@H]1CN2CCC1CC2 CS-0102163 [0,0,0,2,0,0|2,0,0]=4 695 B10R2.62 N[C@H]1CN2CCC1CC2 CS-D0599 [0,0,0,2,0,0|2,0,0]=4 696 B10R2.409 C1CN2CCC(CC2)N1 CS-W003863 [0,0,0,2,0,0|2,0,0]=4 697 B10R2.484 C1CC2(C1)CCNCC2 CS-0050111 [0,0,0,2,0,0|2,0,0]=4 698 B10R2.484 C1CC2(C1)CNCCN2 CS-0054626 [0,0,0,2,0,0|2,0,0]=4 699 B10R2.484 C1CC2(CCN1)CCO2 CS-0052418 [0,0,0,2,0,0|1,0,0]=3 700 B10R2.484 C1CC2(CCN1)CCO2 CS-0054706 [0,0,0,2,0,0|1,0,0]=3 701 B10R2.484 C1CC2(CCOCC2)N1 CS-0054708 [0,0,0,2,0,0|2,0,0]=4 702 B10R2.484 C1CCC2(CC1)CNC2 CS-0138596 [0,0,0,2,0,0|2,0,0]=4 703 B10R2.484 C1CCC2(CCC2)NC1 CS-0050670 [0,0,0,2,0,0|1,0,0]=3 704 B10R2.484 C1CNCC2(C1)CCO2 CS-0052419 [0,0,0,2,0,0|1,0,0]=3 705 B10R2.32 [C@@H]12CCO[C@@H]1OC[C@@H]2O CS-W018655 [0,0,0,2,0,0|2,0,0]=4 706 B10R2.99 OCC1CC2CCC1C2 CS-W013494 [0,0,0,2,0,0|0,0,0]=2 707 B10R2.483 C1COC2(C1)CCNC2 CS-0052417 [0,0,0,2,0,0|1,0,0]=3 708 B10R2.18 C1CCCC2OC2CC1 CS-0450617 [0,0,0,2,0,0|0,0,0]=2 709 B10R2.2 NN1CC2CCCC2C1 CS-W010850 [0,0,0,2,0,0|2,0,0]=4