0 B7R0.1 C=CCOCCOC 9825AA [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 CCCCOCCBr 7502AE [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 CCCNCCC#N 8736AE [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 CCCOCCCO 9024AJ [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 OCCCNCCCl B648 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C#CCCCCBr 0285AC [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 C=CCSSSC L939 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 CCCCCCF 7535AF [1,0,0,0,0,0|1,0,0]=2 8 B6R0.6 CCCCSO=[Sn] P605 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 CCNCCC#N 7314AD [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 COCCCOC U569 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 OCCOCCS 5680AL [1,0,0,0,0,0|3,0,0]=4 12 B8R0.1 C=CCOC(=O)CCC 7766AF [0,1,0,0,0,0|1,0,1]=3 13 B8R0.1 CCCCN(C)CCN 6559AD [0,1,0,0,0,0|2,0,1]=4 14 B8R0.4 CC#CCCCCCC 5767AL [0,1,0,0,0,0|0,0,2]=3 15 B8R0.4 CCCC#CCCCC 6656AL [0,1,0,0,0,0|0,0,3]=4 16 B8R0.4 CCCCCC#CCO V0607 [0,1,0,0,0,0|0,0,3]=4 17 B8R0.4 CCCCCC\C=N\O X6225 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.4 CCCCNCCCC 8015AF [0,1,0,0,0,0|0,0,2]=3 19 B8R0.4 CCCC[NH2+]CCCC 8018AF [0,1,0,0,0,0|0,0,2]=3 20 B8R0.4 CCC\C=C\C=C\C=O R556 [0,1,0,0,0,0|0,0,3]=4 21 B8R0.4 CCC\C=C\C=C\C=O W5281 [0,1,0,0,0,0|0,0,3]=4 22 B8R0.4 CCC\C=C\CCCC 6655AL [0,1,0,0,0,0|0,0,3]=4 23 B8R0.4 CCNCCCNCC 0237AA [0,1,0,0,0,0|1,0,2]=4 24 B8R0.4 ClCCCCCCCCl X3748 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.4 NCCCCNCCN L714 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.6 C#C[C@H](O)CCCCC 1177AL [0,1,0,0,0,0|0,0,2]=3 27 B8R0.6 CCCCCC(=O)SC U833 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.6 CCCCCC(C)CBr Y9914 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.6 CCCCOC(=O)C=O 3194AL [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 CCCCCCC(C)I 7978AF [0,1,0,0,0,0|0,0,2]=3 31 B8R0.7 NCCCCCC(=O)Cl Y1672 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.2 CCC1=NCCCC1 Y7557 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.2 CC[C@H]1CCCCN1 1287AL [0,0,0,1,0,0|1,0,1]=3 34 B8R1.2 COC1CCCCO1 7544AE [0,0,0,1,0,0|2,0,1]=4 35 B8R1.2 ClCC1CCCCC1 2451AB [0,0,0,1,0,0|1,0,1]=3 36 B8R1.2 ClCC1CCCCN1 2061AL [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 ClCC1CCNCC1 8572AB [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 ICC1CCCCN1 Z2411 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 NNC1CCCCC1 7551AF [0,0,0,1,0,0|2,0,0]=3 40 B8R1.2 O=CC1CCCCN1 Z3377 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.5 CC1CCNCC1=O 2896AJ [0,0,0,1,0,0|2,0,0]=3 42 B8R1.5 CC1CNCCN1C 9603AH [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 C[C@@H]1CCCC[C@H]1N M973 [0,0,0,1,0,0|1,0,1]=3 44 B8R1.5 C[C@@H]1COCC[C@@H]1N 0693AC [0,0,0,1,0,0|2,0,1]=4 45 B8R1.5 C[C@H]1CCCC[C@H]1N 3932AJ [0,0,0,1,0,0|1,0,1]=3 46 B8R1.5 N[C@H]1CCCC[C@@H]1N 8198AH [0,0,0,1,0,0|2,0,1]=4 47 B8R1.5 O=C1CCOCC1Br 4586AF [0,0,0,1,0,0|3,0,0]=4 48 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,0,0,1,0,0|3,0,0]=4 49 B8R1.5 O[C@@H]1CCCC[C@H]1I 9141AJ [0,0,0,1,0,0|2,0,1]=4 50 B8R1.8 CCCC1CCCC1 7958AF [0,0,0,1,0,0|0,0,2]=3 51 B8R1.8 NOCC1CCCC1 3261AC [0,0,0,1,0,0|2,0,0]=3 52 B8R1.8 OCCC1CCNC1 3526AF [0,0,0,1,0,0|2,0,1]=4 53 B8R1.12 [C@@H]1(CN)CC[C@H]1CN 9751AJ [0,0,0,1,0,0|2,0,1]=4 54 B8R1.22 N[C@@H]1CCCCNC1 X9610 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.22 O=C1CCCCCN1 X5632 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.22 O=S1CCCNCC1 1742AA [0,0,0,1,0,0|3,0,0]=4 57 B8R1.36 CCCCC[C@H]1CO1 Y9615 [0,0,0,1,0,0|1,0,1]=3 58 B8R1.49 C1=CCCC=CCC1 8418AJ [0,0,0,1,0,0|0,0,2]=3 59 B5R0.2 C=C\C=C\CC 4582AL [2,0,0,0,0,0|0,0,2]=4 60 B5R0.2 COCCC=O Y8542 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 FCCCCF 1855AE [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 NCCCCCl 5846AB [2,0,0,0,0,0|2,0,0]=4 63 B7R0.3 C=CCOC(=O)CC 7475AF [1,1,0,0,0,0|1,0,1]=4 64 B7R0.3 C=CCOC(=S)CC U627 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.3 CCC(C)OCCO 1705AL [1,1,0,0,0,0|2,0,0]=4 66 B7R0.3 CCCCC(N)CC 7820AF [1,1,0,0,0,0|0,0,1]=3 67 B7R0.3 C\C=C(/C)CCCC 6098AL [1,1,0,0,0,0|0,0,2]=4 68 B7R0.3 NCC(Cl)CCCCl 1747AA [1,1,0,0,0,0|2,0,0]=4 69 B7R0.4 CC(C)CCCCCl 3854AB [1,1,0,0,0,0|1,0,0]=3 70 B7R0.4 CCCCCC(C)N 5131AF [1,1,0,0,0,0|0,0,1]=3 71 B7R0.4 N[C@@H](C)CCCCC Z2154 [1,1,0,0,0,0|0,0,1]=3 72 B7R0.7 C=CCC(O)CC=C 9213AD [1,1,0,0,0,0|0,0,2]=4 73 B7R0.7 CCCS(=O)CCC 7566AF [1,1,0,0,0,0|1,0,1]=4 74 B9R0.5 CCCCC[C@@H](C)N=C=O Y9984 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.5 CCCCC[C@H](C)N=C=O Y9985 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.18 CCCC[Sn](=S)CCCC 8010AF [0,2,0,0,0,0|0,0,2]=4 77 B9R0.40 CCCCC(CC)C[Mg]Br 7392AJ [0,2,0,0,0,0|2,0,0]=4 78 B9R0.2 CCCCCCCC(C)O R396 [0,2,0,0,0,0|0,0,2]=4 79 B9R0.2 CCCCC\C=C\C(=O)O 7944AF [0,2,0,0,0,0|0,0,1]=3 80 B9R0.2 CCC\C=C/CCC(=O)O Z6190 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.2 N=C(N)NCCCCCN N751 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.45 CCCC#CCCCCC 5748AF [0,2,0,0,0,0|0,0,2]=4 83 B9R0.45 CCCCCCCC[Mg]Cl 8960AJ [0,2,0,0,0,0|0,0,2]=4 84 B9R0.45 CCCCCCCOC=O 7967AF [0,2,0,0,0,0|0,0,1]=3 85 B9R0.45 CCCCCC\C=C\C=O Y1535 [0,2,0,0,0,0|0,0,0]=2 86 B9R0.46 C=CC(=O)CCCCCC Y8416 [0,2,0,0,0,0|0,0,0]=2 87 B9R0.46 C=CC(=O)OCCCCC W5241 [0,2,0,0,0,0|0,0,1]=3 88 B9R0.1 C=CC(C)CCC=C(C)C L462 [0,2,0,0,0,0|0,0,2]=4 89 B9R0.47 C=CCCCC(N)C(=O)O 0772AA [0,2,0,0,0,0|1,0,1]=4 90 B9R0.47 CCCCCC(=O)C(C)=O 7941AF [0,2,0,0,0,0|0,0,2]=4 91 B7R1.1 ClCC1CCCN1 1258AJ [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 Cl[Mg]C1CCCC1 Z3121 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 C=C1CCCCC1 3293AA [1,0,0,1,0,0|0,0,0]=2 94 B7R1.3 CC1CC=CCC1 6594AL [1,0,0,1,0,0|0,0,2]=4 95 B7R1.3 C[C@@H]1CCCCN1 W3754 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 C[C@@H]1CCCNC1 8114AA [1,0,0,1,0,0|1,0,1]=4 97 B7R1.3 NC1CCCCN1 6271AB [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 NC1CCSCC1 V4406 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 N[C@@H]1CCCOC1 X8827 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 N[C@H]1CCCOC1 X6276 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 O=S1CCCCC1 V2389 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 OC1C=CCNC1 9589AH [1,0,0,1,0,0|2,0,0]=4 104 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [1,0,0,1,0,0|2,0,0]=4 107 B7R1.7 CCCC[C@H]1CO1 Y7384 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.7 CCCNC1CC1 8890AE [1,0,0,1,0,0|1,0,1]=4 109 B7R1.24 C1=CCCCC=C1 5492AB [1,0,0,1,0,0|0,0,2]=4 110 B9R1.2 N#C[C@@H]1CCC[C@@H](N)C1 3254AF [0,1,0,1,0,0|1,0,1]=4 111 B9R1.2 N[C@H]1CCC[C@H](CO)C1 8294AH [0,1,0,1,0,0|1,0,1]=4 112 B9R1.8 BrCCC1CCCCN1 8895AE [0,1,0,1,0,0|1,0,1]=4 113 B9R1.8 Br[Mg]CC1CCCCC1 8498AJ [0,1,0,1,0,0|1,0,1]=4 114 B9R1.8 C=CCN1CCCCC1 7951AF [0,1,0,1,0,0|0,0,0]=2 115 B9R1.8 CCCC1CCCCN1 3606AB [0,1,0,1,0,0|0,0,2]=4 116 B9R1.8 ClCCN1CCCCC1 N254 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.8 NCCC1CCCCN1 5054AD [0,1,0,1,0,0|1,0,1]=4 118 B9R1.8 O=CCN1CCOCC1 1115AB [0,1,0,1,0,0|2,0,0]=4 119 B9R1.8 O=COC1CCCCC1 7767AF [0,1,0,1,0,0|1,0,0]=3 120 B9R1.8 OCCC1CCCNC1 1431AC [0,1,0,1,0,0|1,0,1]=4 121 B9R1.12 CCCNC1CCCC1 8105AC [0,1,0,1,0,0|0,0,2]=4 122 B9R1.15 CN1CCCCC1CN 7499AB [0,1,0,1,0,0|1,0,1]=4 123 B9R1.15 CN[C@@H]1CCCC[C@@H]1C 3957AJ [0,1,0,1,0,0|0,0,2]=4 124 B9R1.15 CN[C@@H]1CCCC[C@@H]1C 8374AH [0,1,0,1,0,0|0,0,2]=4 125 B9R1.33 COC[C@@H]1CCC[C@@H]1N 8410AH [0,1,0,1,0,0|1,0,1]=4 126 B9R1.33 COC[C@H]1CCC[C@H]1N 3926AJ [0,1,0,1,0,0|1,0,1]=4 127 B9R1.33 COC[C@H]1CCC[C@H]1N 8369AH [0,1,0,1,0,0|1,0,1]=4 128 B9R1.50 BrC1CCCCCCC1 7949AF [0,1,0,1,0,0|0,0,2]=4 129 B9R1.50 S=C1CCCCCCN1 Z3084 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.69 CN1CCC(N)CC1=O 2791AF [0,1,0,1,0,0|2,0,0]=4 131 B9R1.5 O=C1CCCCCC1Br 9448AE [0,1,0,1,0,0|1,0,0]=3 132 B9R1.89 N#CC1CCCCCC1 3690AB [0,1,0,1,0,0|0,0,2]=4 133 B9R1.1 CO[C@H]1CC[C@H](O)CC1 1248AB [0,1,0,1,0,0|1,0,1]=4 134 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 4092AD [0,1,0,1,0,0|1,0,1]=4 135 B9R1.21 CCC1CCC(CC)O1 Z5522 [0,1,0,1,0,0|0,0,2]=4 136 B9R1.118 NCC1(N)CCCCC1 9516AH [0,1,0,1,0,0|1,0,1]=4 137 B9R1.6 N=C(N)C1CCCCC1 9639AJ [0,1,0,1,0,0|1,0,0]=3 138 B9R1.6 N=C(N)N1CCCCC1 V8019 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.6 NC(=O)N1CCCCC1 0973AB [0,1,0,1,0,0|2,0,0]=4 140 B9R1.6 O=C(O)C1CCCCN1 3297AL [0,1,0,1,0,0|2,0,0]=4 141 B9R1.6 O=C(O)C1CCCCN1 6644AH [0,1,0,1,0,0|2,0,0]=4 142 B9R1.6 S=C([S-])N1CCCCC1 O405 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.13 O=C(Cl)CC1CCCC1 8929AC [0,1,0,1,0,0|1,0,0]=3 144 B9R1.13 O=C(O)CC1CCNC1 2247AF [0,1,0,1,0,0|2,0,0]=4 145 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [0,1,0,1,0,0|2,0,0]=4 146 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4857AB [0,1,0,1,0,0|2,0,0]=4 147 B9R2.123 BrC1C2CCCCC12 2139AA [0,0,0,2,0,0|1,0,1]=4 148 B9R2.123 CN1C2CCCCC21 B584 [0,0,0,2,0,0|1,0,1]=4 149 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 0224AP [0,0,0,2,0,0|1,0,1]=4 150 B9R2.39 OC1CC2C=CC1C2 X4118 [0,0,0,2,0,0|1,0,0]=3 151 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 4676AB [0,0,0,2,0,0|1,0,1]=4