0 B5R1.1 C1CSCN1 CS-M1684 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 NC1CC=CC1 CS-W022621 [0,1,0,0,0,0|1,0,1]=3 2 B6R1.2 NC1CCNC1 CS-W016190 [0,1,0,0,0,0|0,0,0]=1 3 B6R1.2 O=C1C=CCC1 CS-W011359 [0,1,0,0,0,0|1,0,2]=4 4 B6R1.2 O=C1CCOC1 CS-D1574 [0,1,0,0,0,0|1,0,1]=3 5 B6R1.2 O=C1NCCS1 CS-W023026 [0,1,0,0,0,0|1,0,1]=3 6 B6R1.2 OC1CCNC1 CS-W022946 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,1,0,0,0,0|0,0,0]=1 9 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,1,0,0,0,0|1,0,0]=2 10 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,1,0,0,0,0|0,0,0]=1 11 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,1,0,0,0,0|0,0,0]=1 12 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,1,0,0,0,0|0,0,0]=1 13 B4R0.2 C#CCCN CS-0059198 [0,0,1,0,0,0|0,0,2]=3 14 B4R0.2 CC#CCO CS-B1382 [0,0,1,0,0,0|1,0,2]=4 15 B4R0.2 CNCC#N CS-W002073 [0,0,1,0,0,0|1,0,1]=3 16 B4R0.2 CNCCBr CS-0042068 [0,0,1,0,0,0|1,0,0]=2 17 B4R0.2 CSCCN CS-0063136 [0,0,1,0,0,0|1,0,0]=2 18 B4R0.2 N#CCCN CS-D1507 [0,0,1,0,0,0|1,0,1]=3 19 B4R0.2 NCCON CS-M2746 [0,0,1,0,0,0|2,0,0]=3 20 B4R0.2 NNCCO CS-W007663 [0,0,1,0,0,0|2,0,0]=3 21 B4R0.2 NOCCO CS-W011361 [0,0,1,0,0,0|2,0,0]=3 22 B4R0.2 OCCCBr CS-W007337 [0,0,1,0,0,0|2,0,0]=3 23 B4R0.2 OCCCO CS-W018490 [0,0,1,0,0,0|2,0,0]=3 24 B4R1.1 C1CNC1 CS-W011344 [0,0,0,0,1,0|0,0,0]=1 25 B6R1.1 C1=CCNCC1 CS-W021272 [0,0,0,0,0,1|0,0,1]=2 26 B6R1.1 C1CCNCC1 CS-W004746 [0,0,0,0,0,1|0,0,0]=1 27 B3R0.1 CCON CS-0017502 [1,0,1,0,0,0|1,0,0]=3 28 B3R0.1 CNOC CS-D1361 [1,0,1,0,0,0|1,0,0]=3 29 B3R0.1 NCCBr CS-W008659 [1,0,1,0,0,0|1,0,0]=3 30 B5R0.1 CC(=O)CCCl CS-W022162 [0,1,1,0,0,0|1,0,1]=4 31 B5R0.1 CCCB(O)O CS-W007470 [0,1,1,0,0,0|2,0,0]=4 32 B5R0.1 CCOC(=N)N CS-W019160 [0,1,1,0,0,0|1,0,1]=4 33 B5R0.1 CNCC(=O)O CS-W013507 [0,1,1,0,0,0|1,0,1]=4 34 B5R0.1 COC[C@H](C)O CS-0031378 [0,1,1,0,0,0|1,0,0]=3 35 B5R0.1 C[C@@H](N)CCO CS-W013746 [0,1,1,0,0,0|1,0,0]=3 36 B5R0.1 N=C(O)CCN CS-W007497 [0,1,1,0,0,0|1,0,1]=4 37 B5R0.2 C#CCCCO CS-W011358 [0,1,1,0,0,0|1,0,1]=4 38 B5R0.2 C=CCCCBr CS-W018483 [0,1,1,0,0,0|1,0,1]=4 39 B5R0.2 CNCCNC CS-0020009 [0,1,1,0,0,0|0,0,0]=2 40 B5R0.2 COCCCBr CS-W010945 [0,1,1,0,0,0|1,0,0]=3 41 B5R0.2 COCCCO CS-W020636 [0,1,1,0,0,0|1,0,0]=3 42 B5R0.2 ClCCCCI CS-W019348 [0,1,1,0,0,0|1,0,0]=3 43 B5R0.2 NCCCCBr CS-W005399 [0,1,1,0,0,0|0,0,0]=2 44 B5R0.2 NCCCCF CS-0098954 [0,1,1,0,0,0|0,0,0]=2 45 B5R0.3 CC(CO)CO CS-0021060 [0,1,1,0,0,0|2,0,0]=4 46 B5R0.3 CCC(=N)NO CS-D0340 [0,1,1,0,0,0|1,0,1]=4 47 B5R0.3 CCC(Br)CC CS-0015742 [0,1,1,0,0,0|1,0,0]=3 48 B5R0.3 CC[C@H](O)CO CS-0031373 [0,1,1,0,0,0|1,0,0]=3 49 B5R0.3 COC(C)CO CS-W011348 [0,1,1,0,0,0|2,0,0]=4 50 B5R0.3 NCC(O)CN CS-W007600 [0,1,1,0,0,0|1,0,0]=3 51 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,1,1,0,0,0|1,0,0]=3 52 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,1,1,0,0,0|2,0,0]=4 53 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,1,1,0,0,0|1,0,0]=3 54 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,1,1,0,0,0|2,0,0]=4 55 B5R1.2 BrC1COC1 CS-D1251 [0,1,0,0,1,0|1,0,0]=3 56 B5R1.2 FC1CNC1 CS-W001606 [0,1,0,0,1,0|0,0,0]=2 57 B5R1.2 IC1COC1 CS-W017022 [0,1,0,0,1,0|1,0,0]=3 58 B5R1.2 NC1CCC1 CS-0006655 [0,1,0,0,1,0|0,0,0]=2 59 B5R1.2 NC1COC1 CS-D0204 [0,1,0,0,1,0|1,0,0]=3 60 B5R1.2 NC1COC1 CS-W018946 [0,1,0,0,1,0|1,0,0]=3 61 B5R1.2 O=C1CNC1 CS-W019264 [0,1,0,0,1,0|0,0,1]=3 62 B5R1.2 O=C1COC1 CS-M1912 [0,1,0,0,1,0|1,0,1]=4 63 B5R1.2 O=C1CSC1 CS-B0978 [0,1,0,0,1,0|1,0,1]=4 64 B5R1.2 OC1CCC1 CS-W013758 [0,1,0,0,1,0|0,0,0]=2 65 B5R1.2 OC1COC1 CS-W007362 [0,1,0,0,1,0|1,0,0]=3 66 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,0,0,1|0,0,0]=2 67 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,0,0,1|0,0,0]=2 68 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,0,0,1|0,0,0]=2 69 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,0,0,1|1,0,0]=3 70 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,0,0,1|0,0,0]=2 71 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,0,0,1|1,0,0]=3 72 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,0,0,1|1,0,0]=3 73 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,0,0,1|1,0,0]=3 74 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,0,0,1|1,0,0]=3 75 B7R1.3 NN1CCCCC1 CS-W007639 [0,1,0,0,0,1|0,0,0]=2 76 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,1,0,0,0,1|0,0,0]=2 77 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,0,0,1|1,0,0]=3 78 B7R1.3 O=C1CCNCC1 CS-W018762 [0,1,0,0,0,1|0,0,0]=2 79 B7R1.3 O=C1CCNCC1 CS-W020094 [0,1,0,0,0,1|0,0,0]=2 80 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,0,0,1|0,0,1]=3 81 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,0,0,1|1,0,1]=4 82 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,0,0,1|0,0,1]=3 83 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,0,0,1|0,0,0]=2 84 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,0,0,1|0,0,0]=2 85 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,0,0,1|1,0,0]=3 86 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,0,0,1|0,0,0]=2 87 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,0,0,1|0,0,0]=2 88 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,0,0,1|0,0,0]=2 89 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,0,0,1|0,0,0]=2 90 B7R1.1 BrCC1CCCC1 CS-W004985 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.1 BrCC1OCCO1 CS-W021428 [0,2,0,0,0,0|2,0,0]=4 92 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,2,0,0,0,0|0,0,0]=2 93 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,2,0,0,0,0|0,0,0]=2 94 B7R1.1 ClCC1=NCCN1 CS-W021432 [0,2,0,0,0,0|1,0,1]=4 95 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,2,0,0,0,0|0,0,0]=2 96 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,2,0,0,0,0|0,0,0]=2 97 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,2,0,0,0,0|1,0,0]=3 98 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,2,0,0,0,0|0,0,0]=2 100 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,2,0,0,0,0|1,0,1]=4 101 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,2,0,0,0,0|0,0,1]=3 102 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,2,0,0,0,0|1,0,1]=4 103 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,2,0,0,0,0|0,0,1]=3 104 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,2,0,0,0,0|0,0,0]=2 105 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,2,0,0,0,0|1,0,0]=3 106 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,2,0,0,0,0|1,0,1]=4 107 B7R1.4 O=C1NCCC1O CS-W005201 [0,2,0,0,0,0|0,0,1]=3 108 B7R1.4 O=C1OCCC1O CS-W013699 [0,2,0,0,0,0|1,0,1]=4 109 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,2,0,0,0,0|1,0,0]=3 110 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,2,0,0,0,0|0,0,0]=2 111 B7R1.14 O=S1(=O)CCCO1 CS-W011195 [0,2,0,0,0,0|2,0,0]=4 112 B5R1.3 BrCC1CC1 CS-W020194 [0,0,1,1,0,0|1,0,0]=3 113 B5R1.3 CNC1CC1 CS-W019814 [0,0,1,1,0,0|0,0,0]=2 114 B5R1.3 ClC[C@H]1CO1 CS-0005957 [0,0,1,1,0,0|2,0,0]=4 115 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [0,0,1,1,0,0|2,0,0]=4 116 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,1,0,1|0,0,0]=2 117 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,1,0,1|1,0,0]=3 118 B7R2.11 C1CN2CN1C2 CS-0096563 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,0,0,2|0,0,0]=2