0 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.1 C1CCNCC1 CS-W004746 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 O=C1CCNCC1 CS-W018762 [0,1,0,0,0,0|1,0,1]=3 15 B7R1.3 O=C1CCNCC1 CS-W020094 [0,1,0,0,0,0|1,0,1]=3 16 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.2 C#CCCCO CS-W011358 [0,0,1,0,0,0|1,0,2]=4 27 B5R0.2 C=CCCCBr CS-W018483 [0,0,1,0,0,0|1,0,2]=4 28 B5R0.2 CNCCNC CS-0020009 [0,0,1,0,0,0|2,0,0]=3 29 B5R0.2 COCCCBr CS-W010945 [0,0,1,0,0,0|2,0,0]=3 30 B5R0.2 COCCCO CS-W020636 [0,0,1,0,0,0|2,0,0]=3 31 B5R0.2 ClCCCCI CS-W019348 [0,0,1,0,0,0|2,0,0]=3 32 B5R0.2 NCCCCBr CS-W005399 [0,0,1,0,0,0|2,0,0]=3 33 B5R0.2 NCCCCF CS-0098954 [0,0,1,0,0,0|2,0,0]=3 34 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,0|1,0,0]=2 35 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,0|2,0,0]=3 36 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,0,1,0|2,0,0]=3 37 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,0,0,1|1,0,0]=2 38 B4R0.2 CNCCBr CS-0042068 [1,0,1,0,0,0|2,0,0]=4 39 B4R0.2 CSCCN CS-0063136 [1,0,1,0,0,0|2,0,0]=4 40 B4R0.2 OCCCBr CS-W007337 [1,0,1,0,0,0|2,0,0]=4 41 B4R0.2 OCCCO CS-W018490 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,1,0,0,0|0,0,0]=2 43 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,1,0,0,0|1,0,0]=3 44 B6R0.1 OCCC(O)CO CS-0008443 [0,1,1,0,0,0|2,0,0]=4 45 B6R0.4 CC(C)CCCO CS-W007511 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.4 CNCCC(C)C CS-W018343 [0,1,1,0,0,0|1,0,0]=3 47 B6R0.4 CNCCN(C)C CS-W022914 [0,1,1,0,0,0|2,0,0]=4 48 B6R0.6 BrCCCCCBr CS-W019956 [0,1,1,0,0,0|1,0,0]=3 49 B6R0.6 BrCCOCCBr CS-W014174 [0,1,1,0,0,0|2,0,0]=4 50 B6R0.6 C=CCCCCO CS-W013711 [0,1,1,0,0,0|0,0,2]=4 51 B6R0.6 N#CCCCCBr CS-D1429 [0,1,1,0,0,0|1,0,1]=4 52 B6R0.6 N#CCCCCCl CS-W022361 [0,1,1,0,0,0|1,0,1]=4 53 B6R0.6 OCCCCCO CS-W020635 [0,1,1,0,0,0|1,0,0]=3 54 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,0,1,0|0,0,2]=4 55 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,0,1,0|1,0,0]=3 56 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,0,1,0|1,0,1]=4 57 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,0,1,0|1,0,0]=3 58 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,0,1,0|1,0,0]=3 59 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,0,1,0|1,0,0]=3 60 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,0,1,0|1,0,0]=3 61 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,0,1,0|1,0,0]=3 62 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,0,1,0|1,0,0]=3 63 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,0,1,0|1,0,0]=3 64 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,2,0,0,0,0|0,0,0]=2 65 B8R1.2 CCC1CNCCN1 CS-D0270 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.2 COC1CCNCC1 CS-0040128 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.2 COC1CCNCC1 CS-W005038 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.2 N#C[C@@H]1CNCCN1 CS-B0447 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.2 N#C[C@H]1CNCCN1 CS-B0448 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.2 NCC1CCCCC1 CS-0015361 [0,2,0,0,0,0|0,0,0]=2 75 B8R1.2 NCC1CCCCN1 CS-W011240 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.2 NCC1CCOCC1 CS-W008973 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.2 NNC1CCCCC1 CS-W007595 [0,2,0,0,0,0|0,0,0]=2 78 B8R1.2 NNC1CCOCC1 CS-0037407 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.2 NNC1CCOCC1 CS-B0289 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.2 OCC1CCCCC1 CS-W011242 [0,2,0,0,0,0|0,0,0]=2 82 B8R1.2 OCC1CCCCN1 CS-W013620 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.2 OCC1CCOCC1 CS-D1227 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,2,0,0,0,0|0,0,0]=2 89 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,2,0,0,0,0|1,0,1]=4 90 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.3 CN1CCN(N)CC1 CS-0071327 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,2,0,0,0,0|0,0,0]=2 93 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,2,0,0,0,0|0,0,0]=2 94 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,2,0,0,0,0|1,0,1]=4 95 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,2,0,0,0,0|1,0,1]=4 96 B8R1.4 CC1CNCC(C)C1 CS-W011255 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.5 CC1CNCCC1=O CS-D0046 [0,2,0,0,0,0|1,0,1]=4 99 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,2,0,0,0,0|0,0,0]=2 100 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,2,0,0,0,0|0,0,0]=2 101 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,2,0,0,0,0|0,0,0]=2 102 B8R1.5 O=C1NCCCC1O CS-W008630 [0,2,0,0,0,0|1,0,1]=4 103 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,2,0,0,0,0|0,0,0]=2 104 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,2,0,0,0,0|0,0,0]=2 107 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,2,0,0,0,0|0,0,0]=2 108 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.72 C[Si]1(C)CCNCC1 CS-0043662 [0,2,0,0,0,0|1,1,0]=4 111 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.72 O=S1(=O)CCNCC1 CS-W005419 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.72 O=S1(=O)CCNCC1 CS-W009111 [0,2,0,0,0,0|2,0,0]=4 114 B6R1.3 CNCC1CC1 CS-0045377 [0,0,1,1,0,0|1,0,0]=3 115 B6R1.3 N#CCC1CC1 CS-0051913 [0,0,1,1,0,0|1,0,1]=4 116 B6R1.3 OCCN1CC1 CS-W023058 [0,0,1,1,0,0|2,0,0]=4 117 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,0,1,1,0,0|2,0,0]=4 118 B6R1.6 COC1CNC1 CS-W008894 [0,0,1,1,0,0|2,0,0]=4 119 B6R1.6 NCC1CNC1 CS-W022574 [0,0,1,1,0,0|2,0,0]=4 120 B6R1.6 NCC1COC1 CS-W008698 [0,0,1,1,0,0|2,0,0]=4 121 B6R1.6 OCC1CCO1 CS-W019194 [0,0,1,1,0,0|2,0,0]=4 122 B6R1.6 OCC1COC1 CS-W004925 [0,0,1,1,0,0|2,0,0]=4 123 B4R1.1 C1CNC1 CS-W011344 [0,0,0,0,2,0|1,0,0]=3 124 B8R1.49 C1=CCCC=CCC1 CS-0035192 [0,0,0,0,0,2|0,0,2]=4