0 B5R0.2 BrC\C=C\CBr CS-0017873 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCO CS-W011358 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 C=CCCCBr CS-W018483 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 CNCCNC CS-0020009 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 COCCCBr CS-W010945 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 COCCCO CS-W020636 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 ClCCCCI CS-W019348 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 NCCCCBr CS-W005399 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 NCCCCF CS-0098954 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.2 CNCC#N CS-W002073 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|2,1,0]=4 16 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|0,1,1]=3 23 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.4 CC(=O)NCCN CS-W013694 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.4 CC(C)CCCO CS-W007511 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,0,0,0,0|0,1,1]=3 29 B6R0.4 CNCCC(C)C CS-W018343 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.4 O=C(O)CCCBr CS-W016047 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.6 BrCCCCCBr CS-W019956 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.6 BrCCOCCBr CS-W014174 [0,1,0,0,0,0|1,1,0]=3 33 B6R0.6 C=CCCCCO CS-W013711 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.6 N#CCCCCBr CS-D1429 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.6 N#CCCCCCl CS-W022361 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.6 OCCCCCO CS-W020635 [0,1,0,0,0,0|1,0,0]=2 37 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.1 C1CCNCC1 CS-W004746 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|0,1,2]=4 42 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|1,0,0]=2 44 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|1,0,0]=2 45 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|1,0,0]=2 46 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|0,1,0]=2 47 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|1,0,0]=2 48 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.3 CNCC1CC1 CS-0045377 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.3 N#CCC1CC1 CS-0051913 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.3 OCCN1CC1 CS-W023058 [0,0,0,1,0,0|1,0,0]=2 53 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|0,1,0]=2 57 B6R1.6 OCC1COC1 CS-W004925 [0,0,0,1,0,0|2,0,0]=3 58 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|1,1,0]=4 59 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|1,1,0]=4 60 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.1 CCCB(O)O CS-W007470 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|0,1,1]=4 65 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|0,1,0]=3 66 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|0,0,0]=2 67 B5R0.1 N=C(O)CCN CS-W007497 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 CC(CO)CO CS-0021060 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.3 CCC(=N)NO CS-D0340 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.3 CCC(Br)CC CS-0015742 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.3 CC[C@H](O)CO CS-0031373 [1,1,0,0,0,0|0,0,0]=2 72 B5R0.3 COC(C)CO CS-W011348 [1,1,0,0,0,0|0,1,0]=3 73 B5R0.3 NCC(O)CN CS-W007600 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.3 NC[C@H](O)CCl CS-W021152 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.3 OC[C@@H](O)CCl CS-W018500 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.3 [C@H](O)(CN)CO CS-W017771 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.2 [C@@H](N)(CO)CC(C)C CS-W016592 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|1,1,0]=4 81 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|1,0,0]=3 85 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.4 O=C([O-])CCCCO CS-0047732 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.8 OCCCC(F)(F)F CS-W020393 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.1 C=CCCCCCBr CS-W009270 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.1 ClCCCCCCBr CS-W010503 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.1 NCCCNCCBr CS-W022895 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.1 NCCSSCCN CS-0032055 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.1 OCCSSCCO CS-0113483 [0,2,0,0,0,0|0,0,0]=2 95 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|1,1,0]=4 97 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|2,0,0]=4 98 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|1,1,0]=4 99 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|1,0,0]=3 100 B5R1.2 NC1COC1 CS-D0204 [1,0,0,1,0,0|1,1,0]=4 101 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,1,0]=4 102 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|0,0,2]=4 103 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|0,0,0]=2 104 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|0,1,0]=3 105 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|1,0,0]=3 106 B5R1.3 CNC1CC1 CS-W019814 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.3 ClC[C@H]1CO1 CS-0005957 [1,0,0,1,0,0|1,0,0]=3 108 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [1,0,0,1,0,0|0,1,0]=3 109 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.1 BrCC1OCCO1 CS-W021428 [0,1,0,1,0,0|0,1,0]=3 111 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,1,0,0|0,1,0]=3 124 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.3 O=C1CCNCC1 CS-W018762 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.3 O=C1CCNCC1 CS-W020094 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|0,1,1]=4 136 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,1,0,0|0,0,2]=4 137 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,1,0,0|0,0,0]=2 140 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,1,0,0|1,0,0]=3 142 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,1,1]=4 148 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.24 C1CNCCNC1 CS-W007768 [0,1,0,1,0,0|2,0,0]=4 154 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,2,0,0|2,0,0]=4 155 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,2,0,0|0,1,0]=3