0 B7R0.1 C=CCCCCCBr CS-W009270 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.1 ClCCCCCCBr CS-W010503 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 NCCCNCCBr CS-W022895 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 BrCCCCCBr CS-W019956 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 BrCCOCCBr CS-W014174 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 C=CCCCCO CS-W013711 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.6 N#CCCCCBr CS-D1429 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 N#CCCCCCl CS-W022361 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 OCCCCCO CS-W020635 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.4 BrCCCCCCCBr CS-W010166 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.4 CCOCCOCCO CS-0015134 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.4 OCCCCCCCBr CS-W008425 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.7 CC(C)NCCCCO CS-M3069 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.7 COCCOCC(=O)O CS-0084611 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,0,0,1,0,0|0,0,2]=3 19 B8R1.2 CCC1CNCCN1 CS-D0270 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 COC1CCNCC1 CS-0040128 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 COC1CCNCC1 CS-W005038 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 NCC1CCCCC1 CS-0015361 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.2 NCC1CCCCN1 CS-W011240 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 NCC1CCOCC1 CS-W008973 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 NNC1CCCCC1 CS-W007595 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.2 NNC1CCOCC1 CS-0037407 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.2 NNC1CCOCC1 CS-B0289 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.2 OCC1CCC=CO1 CS-0020174 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.2 OCC1CCCCC1 CS-W011242 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.2 OCC1CCCCN1 CS-W013620 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 OCC1CCOCC1 CS-D1227 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.5 CC1=NCCCN1C CS-W021273 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.5 CC1CNCCC1=O CS-D0046 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.49 C1=CCCC=CCC1 CS-0035192 [0,0,0,1,0,0|0,0,2]=3 50 B5R0.2 C=CCCCBr CS-W018483 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.2 CNCCNC CS-0020009 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 COCCCO CS-W020636 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 ClCCCCI CS-W019348 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 NCCCCBr CS-W005399 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 NCCCCF CS-0098954 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.45 BrCCCCCCCCBr CS-0007585 [0,2,0,0,0,0|0,0,2]=4 62 B9R0.45 OCCCCCCCCBr CS-0015428 [0,2,0,0,0,0|0,0,2]=4 63 B9R0.45 OCCCCCCCCO CS-W018224 [0,2,0,0,0,0|0,0,2]=4 64 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|1,0,1]=4 65 B7R1.1 BrCC1CCCC1 CS-W004985 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 BrC1CCNCC1 CS-W014130 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 CC1CNCCO1 CS-D1584 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 CC1COCCN1 CS-W009058 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 CC1SCCCS1 CS-0094743 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 ClC1CCOCC1 CS-W016579 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.3 NC1CCCOC1 CS-0044162 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 NC1CCOCC1 CS-B0654 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 NC1CCOCC1 CS-W002372 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 O=C1CCNCC1 CS-W018762 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.3 O=C1CCNCC1 CS-W020094 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 OC1CCCNC1 CS-W013706 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 OC1CCNCC1 CS-W004328 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 OC1CCSCC1 CS-D1275 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.24 C1CNCCNC1 CS-W007768 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 ClCCN1CCCCC1 CS-B0962 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.8 N#CCC1CCCCC1 CS-W018366 [0,1,0,1,0,0|0,0,2]=4 95 B9R1.8 NCCC1CCOCC1 CS-W021464 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.8 OCCC1CCCNC1 CS-WAA0206 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.15 CN1CCCCC1CO CS-W011116 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.33 CN1CCCC1CCN CS-W013459 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.50 OC1CCC=CCCC1 CS-W006126 [0,1,0,1,0,0|0,0,0]=2 101 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.14 CCN1CCCC1CN CS-W013458 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,1,0,1,0,0|0,0,2]=4 104 B9R1.89 OC[C@@H]1CCCCCN1 CS-B0632 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.1 CN[C@H]1CC[C@H](O)CC1 CS-W019271 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.1 N[C@H]1CC[C@H](CO)CC1 CS-0011345 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.118 NCC1(N)CCCCC1 CS-0064736 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,1,0,1,0,0|0,0,1]=3 109 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.6 N=C(O)C1CCNCC1 CS-W013464 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.6 OB(O)C1CCCCC1 CS-W007574 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.40 CC1(C)CCCOC1=O CS-0097007 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,1,0,1,0,0|2,0,0]=4