0 B6R0.6 BrCCCCCBr CS-W019956 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCOCCBr CS-W014174 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C=CCCCCO CS-W013711 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 N#CCCCCBr CS-D1429 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 N#CCCCCCl CS-W022361 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 OCCCCCO CS-W020635 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C#CCCCO CS-W011358 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 C=CCCCBr CS-W018483 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.2 COCCCO CS-W020636 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.2 ClCCCCI CS-W019348 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.2 NCCCCBr CS-W005399 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.2 NCCCCF CS-0098954 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.1 C=CCCCCCBr CS-W009270 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.1 ClCCCCCCBr CS-W010503 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.1 NCCCNCCBr CS-W022895 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.1 NCCSSCCN CS-0032055 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.1 OCCSSCCO CS-0113483 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 BrCC1CCCC1 CS-W004985 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 BrCC1OCCO1 CS-W021428 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.1 ClCC1=NCCN1 CS-W021432 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,1,0,0|1,0,0]=2 45 B4R0.2 C#CCCN CS-0059198 [2,0,0,0,0,0|0,0,2]=4 46 B4R0.2 CNCC#N CS-W002073 [2,0,0,0,0,0|0,0,2]=4 47 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.2 N#CCCN CS-D1507 [2,0,0,0,0,0|0,0,2]=4 50 B4R0.2 NCCON CS-M2746 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.2 NNCCO CS-W007663 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 CCCC(Cl)CC CS-0102884 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.1 CCC[C@H](N)CO CS-M1841 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.1 OCCC(O)CO CS-0008443 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 CC(=O)NCCN CS-W013694 [1,1,0,0,0,0|0,0,1]=3 59 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,2,0,0,0,0|1,0,1]=4 62 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.1 C1CCNCC1 CS-W004746 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.2 NC1CC=CC1 CS-W022621 [1,0,0,1,0,0|1,0,1]=4 65 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,1,0,0|0,0,0]=2 66 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,1,0,0|1,0,0]=3 68 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,1,0,0|1,0,0]=3 71 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|1,0,0]=3 72 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,1,0,0|1,0,0]=3 73 B6R1.3 OCCN1CC1 CS-W023058 [1,0,0,1,0,0|1,0,0]=3 74 B6R1.3 OCC[C@H]1CO1 CS-0081472 [1,0,0,1,0,0|2,0,0]=4 75 B6R1.6 NCC1CNC1 CS-W022574 [1,0,0,1,0,0|2,0,0]=4 76 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.2 CCC1CNCCN1 CS-D0270 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.2 N#C[C@@H]1CNCCN1 CS-B0447 [0,1,0,1,0,0|0,0,1]=3 83 B8R1.2 N#C[C@H]1CNCCN1 CS-B0448 [0,1,0,1,0,0|0,0,1]=3 84 B8R1.2 NCC1CCCCC1 CS-0015361 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.2 NCC1CCCCN1 CS-W011240 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.2 NCC1CCOCC1 CS-W008973 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.2 NNC1CCCCC1 CS-W007595 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.2 OCC1CCCCN1 CS-W013620 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.4 CC1CNCC(C)C1 CS-W011255 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,1,0,1,0,0|2,0,0]=4 106 B8R2.19 NC1CCC12CC2 CS-0109007 [0,0,0,2,0,0|2,0,0]=4