0 B8R0.4 BrCCCCCCCBr CS-W010166 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 CCOCCOCCO CS-0015134 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.4 OCCCCCCCBr CS-W008425 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.1 C=CCCCCCBr CS-W009270 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.1 NCCCNCCBr CS-W022895 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.1 OCCSSCCO CS-0113483 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.45 BrCCCCCCCCBr CS-0007585 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.45 OCCCCCCCCBr CS-0015428 [0,1,0,0,0,0|0,0,0]=1 9 B9R0.45 OCCCCCCCCO CS-W018224 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.45 OCCOCCOCCCl CS-W016036 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.8 BrCCC1OCCCO1 CS-W010633 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.8 CCNC1CCOCC1 CS-0040480 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.8 COCC1CNCCO1 CS-W021442 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.8 COC[C@@H]1CNCCO1 CS-W020731 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.8 COC[C@H]1CNCCO1 CS-W018994 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.8 ClCCN1CCCCC1 CS-B0962 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 N#CCC1CCCCC1 CS-W018366 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.8 NCCC1CCOCC1 CS-W021464 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.8 NCCN1CCOCC1 CS-W016546 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.8 OCCC1CCCNC1 CS-WAA0206 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.14 CCN1CCCC1CN CS-W013458 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.15 CN1CCCCC1CO CS-W011116 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.15 CN1CCOC[C@@H]1CO CS-0061776 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.15 CN1CCOC[C@H]1CO CS-0101191 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.33 CN1CCCC1CCN CS-W013459 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,0,0,1,0,0|0,0,2]=3 29 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,0,0,1,0,0|1,0,1]=3 30 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,0,0,1,0,0|1,0,0]=2 31 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [1,1,0,0,0,0|0,0,0]=2 35 B8R0.7 CC(C)NCCCCO CS-M3069 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.7 O=C(O)CCCCCCl CS-W018132 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,2,0,0,0,0|0,0,1]=3 38 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|0,0,1]=3 40 B10R0.71 C=CCCCCCCCCBr CS-W013154 [0,2,0,0,0,0|1,0,0]=3 41 B10R0.71 OCCCCCCCCCBr CS-B0284 [0,2,0,0,0,0|0,0,0]=2 42 B10R0.71 OCCCCCCOCCO CS-0040286 [0,2,0,0,0,0|0,0,0]=2 43 B8R1.2 C#CC1CCCCC1 CS-W022720 [1,0,0,1,0,0|0,0,2]=4 44 B8R1.2 CCC1CNCCN1 CS-D0270 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 NCC1CCCCC1 CS-0015361 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.2 NCC1CCCCN1 CS-W011240 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.2 NCC1CCOCC1 CS-W008973 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 NNC1CCCCC1 CS-W007595 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|0,0,0]=2 54 B8R1.2 OCC1CCCCN1 CS-W013620 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.2 OCC1CCOCC1 CS-D1227 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.8 ClCCN1CCCC1 CS-D1148 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.18 CN(C)CC1CNCCO1 CS-0038797 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [0,1,0,1,0,0|0,0,1]=3 68 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N CS-W018664 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [0,1,0,1,0,0|0,0,1]=3 70 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.29 CCCCN1CCCC1=O CS-W016436 [0,1,0,1,0,0|0,0,2]=4 73 B10R1.85 OCCN1CCCCCC1 CS-B0251 [0,1,0,1,0,0|0,0,0]=2 74 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.17 C#CCOC1CCCCO1 CS-0038687 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.17 COCCC1CCCCN1 CS-B1140 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.17 COCCC1CCNCC1 CS-0051205 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.20 CN[C@@H]1CCCC[C@H]1NC CS-W018480 [0,1,0,1,0,0|2,0,0]=4 79 B10R2.7 C1CCC2CNCC2C1 CS-W018719 [0,0,0,2,0,0|1,0,0]=3 80 B10R2.62 N[C@@H]1CN2CCC1CC2 CS-M1833 [0,0,0,2,0,0|2,0,0]=4 81 B10R2.62 N[C@H]1CN2CCC1CC2 CS-0001448 [0,0,0,2,0,0|2,0,0]=4 82 B10R2.62 N[C@H]1CN2CCC1CC2 CS-D0599 [0,0,0,2,0,0|2,0,0]=4