0 B11R1.40 CC(C#N)OC1CCCCO1 PH001555 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 CC(CN)CN1CCOCC1 OTV000606 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 NNC(=S)NC1CCCCC1 CDS004498 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 BrCCCC1CCCCC1 S345016 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 C#CCNC1CCCCC1 CDS018913 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.17 CCCCC1NCCCS1 T149721 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 CCCCN1CCOCC1 S551961 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CCCNC1CCCCC1 CDS008806 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 CCNCC1CCCCO1 CBR00835 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 CNCCN1CCOCC1 CDS008441 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 COCCC1CCCCN1 CBR00752 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 COCCC1CNCCO1 CBR00148 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 ClCCCC1CCCCC1 R426857 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 N#CCCC1CCCCC1 PH010247 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 N#CCCN1CCCCC1 PH016680 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 O=CCCC1CCCCC1 CDS019184 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 OCCCC1CCCCN1 CBR01786 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 OCCCC1CCCNC1 CBR00005 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 OCCNC1CCCCC1 T308269 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.18 CC(=CN1CCCCC1)C S354880 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.18 CC(C)CC1CCCCC1 S564869 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.18 CC(C)CC1COCCN1 CBR00867 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 CC(C)CN1CCOCC1 S518409 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.18 CC(C)OC1CCCCO1 T332879 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.18 CC(N)CN1CCOCC1 CBR00001 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.18 CC(O)CN1CCCCC1 S418854 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.18 CC(O)CN1CCOCC1 S362727 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.18 CN(C)N=C1CCCCC1 PH007700 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.18 CN(C)NC1CCCCC1 PH001375 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.18 N=C(N)NC1CCCCC1 L255009 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.18 N=C(N)SC1CCCCC1 S822655 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.18 NC(=O)CC1CCCCN1 CDS022187 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.18 NC(=O)NC1CCCCC1 S375047 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [1,0,0,0,0,0|3,0,0]=4 48 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.32 COCC(O)CN1CCCCC1 PH013634 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.34 COC(=O)C(Br)C1CCCCC1 S378194 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 CDS003570 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.43 CN(C)C(=O)CC1CCNCC1 CBR01450 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.43 CN(C)C(=O)NC1CCCCC1 S604542 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.43 O=C(O)C(Br)CC1CCCCC1 PH016309 [0,1,0,0,0,0|3,0,0]=4 55 B10R0.74 CCCCCCCC(=O)CC S544043 [0,0,1,0,0,0|2,0,1]=4 56 B10R0.74 CCCCCCCC(=O)NO CDS000528 [0,0,1,0,0,0|2,0,1]=4 57 B10R0.74 CCCCCCCC(=O)N[O-] S756199 [0,0,1,0,0,0|2,0,1]=4 58 B10R0.74 CCCCCCCC(O)CC CDS001495 [0,0,1,0,0,0|2,0,0]=3 59 B10R0.74 CCCCCCNC(=O)NC S892793 [0,0,1,0,0,0|2,0,1]=4 60 B12R2.24 CC1CCC2CCCCC2N1 PH014078 [0,0,0,1,0,0|2,0,0]=3 61 B12R2.24 O=C1CN2CCCCC2CN1 T162582 [0,0,0,1,0,0|2,0,1]=4 62 B12R2.32 CNC1=NC2CCCCC2O1 S420638 [0,0,0,1,0,0|2,0,1]=4 63 B12R2.94 NC1(CC1)CN2CCCCC2 CBR00666 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.2918 CC1COC2(O1)CCCCC2 S363685 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.2918 NC1COC2(C1)CCCCC2 CBR02359 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.2918 O=C1CC2(CCNCC2)CN1 CDS023378 [0,0,0,1,0,0|2,0,1]=4 67 B12R2.2918 S=C1NCC2(N1)CCCCC2 T149276 [0,0,0,1,0,0|2,0,1]=4 68 B12R2.4134 C=CC1(CC2CCCC1C2)O T247871 [0,0,0,1,0,0|2,0,1]=4 69 B10R1.15 CC(C=O)C1CCCCC1 PH015130 [0,0,0,0,1,0|2,0,0]=3 70 B10R1.15 CC(CN)N1CCCCC1 CDS009813 [0,0,0,0,1,0|3,0,0]=4 71 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,0,0,0,1,0|2,0,0]=3 73 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,0,0,0,1,0|3,0,0]=4 74 B10R1.15 CNC(=O)C1CCCNC1 CBR00913 [0,0,0,0,1,0|2,0,1]=4 75 B10R1.15 CNC(=O)C1CCCNC1 CDS017102 [0,0,0,0,1,0|2,0,1]=4 76 B10R1.15 CNC(=O)N1CCCCC1 S379557 [0,0,0,0,1,0|2,0,1]=4 77 B10R1.15 CNC(=S)N1CCCCC1 TMT00166 [0,0,0,0,1,0|2,0,1]=4 78 B10R1.15 CNC(C)C1CCCCC1 PH013058 [0,0,0,0,1,0|0,0,0]=1 79 B10R1.15 NNC(=O)C1CCCCC1 R703435 [0,0,0,0,1,0|2,0,1]=4 80 B12R1.27 NNC(=O)COC1CCCCC1 PH018699 [0,0,0,0,0,1|2,0,1]=4 81 B9R0.18 CNCCN(C)CCNC S388483 [1,0,1,0,0,0|2,0,0]=4 82 B9R0.46 CCCCCC[C@@H](C)CBr PH007998 [1,0,1,0,0,0|2,0,0]=4 83 B9R0.2 CCCCCCCC(C)Br S438758 [1,0,1,0,0,0|1,0,0]=3 84 B9R0.45 CCCCCCCCNC CDS003222 [1,0,1,0,0,0|0,0,0]=2 85 B9R0.45 CCCCCCCCON PH014161 [1,0,1,0,0,0|2,0,0]=4 86 B9R0.45 CCCCCCCC[Hg]Cl S572551 [1,0,1,0,0,0|2,0,0]=4 87 B9R0.45 CCCCCNCCCC OTV000733 [1,0,1,0,0,0|2,0,0]=4 88 B9R0.45 CSCCCCCCSC S347825 [1,0,1,0,0,0|2,0,0]=4 89 B9R1.8 BrCCC1CCCCN1 CBR00714 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.8 CCCC1COCCN1 CBR00294 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.8 CCCC1NCCCS1 T149691 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.8 CCOC1CCCCO1 S359033 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.8 CCOC1CCNCC1 CBR01194 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.8 CNCC1CCCCO1 CDS005693 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.8 CNCC1CCOCC1 CDS009689 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.8 COCC1CCCCN1 CDS005671 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.8 ClCCN1CCCCC1 PH010519 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.8 N1CCC(CC1)CCC S409944 [2,0,0,0,0,0|1,0,0]=3 99 B9R1.8 NCCC1CCCCC1 CDS013643 [2,0,0,0,0,0|0,0,0]=2 100 B9R1.8 NCCC1CCCOC1 CDS009278 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.8 NCCC1CCOCC1 CDS006180 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.8 OCCC1CCCCO1 T177393 [2,0,0,0,0,0|2,0,0]=4 103 B11R0.42 CCCCCCCC(C)C(=O)O S874582 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.1 CCCCN1CCC(CC1)C S647756 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.1 CNCCN1CCC(CC1)C CBR00050 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.16 CCCC(O)C1CCCCC1 S447005 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.17 CCCCC1CCCCC1O S359122 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.17 COCCC1CCCCN1C PH000449 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.28 CCCCCC1CCCCC1 S431664 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.28 CCNCCN1CCCCC1 CBR02321 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.28 CCNCCN1CCOCC1 CBR01294 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.28 CNCCCC1CCCCC1 PH010303 [1,1,0,0,0,0|0,0,0]=2 115 B11R1.28 CNCCCN1CCOCC1 CBR02299 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.28 COCCCC1CCCCN1 CBR01367 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.28 COCCCC1CCCNC1 CBR01297 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.28 N#CCCCC1CCCCC1 S432636 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.28 NCCCCN1CCCCC1 PH002408 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.28 NCCOCC1CCCCC1 CDS020939 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.28 NNCCCC1CCCCC1 PH019011 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.28 SCCNCC1CCCCC1 PH012943 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.91 CC(O)CNC1CCCCC1 S509108 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.91 CN(C)CCC1CCCCN1 CBR00696 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.91 CN(C)CCC1CCCNC1 CBR00695 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.91 NC(=O)CCC1CCCCC1 EME00450 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.900 CCCCC1(CCCCC1)O S406953 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.36 CN(C)C(=O)C1CCCCC1 PH002758 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.86 CC(C)C[C@H]1CCCC[C@H]1N PH018572 [1,1,0,0,0,0|0,0,0]=2 136 B11R1.86 CC(C)OC1CCCCC1O S672734 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.86 CC(O)CN1CCCCC1C PH015080 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.86 CN(C)CC1CCCCC1=O S703451 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.86 CN(C)CC1CCCCC1=O S935484 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.509 CC(C)(N)CN1CCOCC1 CBR01946 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.928 CN(C)CC1(CCNCC1)O CBR00970 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.7 CC(C)(C#N)C1CCCCC1 S917648 [0,1,0,0,1,0|2,0,0]=4 143 B11R1.12 CCC(CC)C1CCCCN1 PH015572 [0,1,0,0,1,0|2,0,0]=4 144 B11R1.12 CCC(CN)N1CCCCC1 CBR01332 [0,1,0,0,1,0|2,0,0]=4 145 B11R1.12 NCC(CO)C1CCCCC1 PH015132 [0,1,0,0,1,0|2,0,0]=4 146 B11R1.22 CCC(C)N1CCC(CC1)N PH019192 [0,1,0,0,1,0|2,0,0]=4 147 B13R1.417 COC(CCN1CCCCC1)OC S434620 [0,1,0,0,0,1|2,0,0]=4 148 B13R1.470 CCCC(C)CC1CCCCC1=O S511137 [0,2,0,0,0,0|1,0,1]=4 149 B13R1.335 CCC(CC)CC1CCCCC1O S361534 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.54 CCC1CCCCC1(O)CC S346012 [0,0,1,1,0,0|2,0,0]=4 151 B11R1.54 CN[C@]1(CCCC[C@H]1CO)C BBO000379 [0,0,1,1,0,0|1,0,0]=3 152 B11R1.101 O=C1CCCCCCCCN1 S929964 [0,0,1,1,0,0|1,0,1]=4 153 B11R2.1 O=C1CCC2C1CCCC2 T181331 [1,0,0,1,0,0|2,0,0]=4 154 B11R2.1 [C@@H]12CCCC[C@@H]1C(=O)CC2 T181420 [1,0,0,1,0,0|2,0,0]=4 155 B11R2.13 N#CC1CC12CCCCC2 PH007933 [1,0,0,1,0,0|2,0,0]=4 156 B11R2.20 C1CCC2OCOCC2C1 S699276 [1,0,0,1,0,0|2,0,0]=4 157 B11R2.20 C1CCN2CCNCC2C1 T165344 [1,0,0,1,0,0|1,0,0]=3 158 B11R2.239 C1CCN(CC1)C2CNC2 CBR02366 [1,0,0,1,0,0|1,0,0]=3 159 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [1,0,0,1,0,0|2,0,0]=4 160 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [1,0,0,1,0,0|1,0,1]=4 161 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [1,0,0,1,0,0|1,0,1]=4 162 B11R2.40 NC1(CC1)C2CCCCC2 CBR00895 [0,0,0,1,1,0|2,0,0]=4 163 B11R2.40 OC1(CC1)C2CCCCC2 CDS024147 [0,0,0,1,1,0|2,0,0]=4 164 B11R2.36 C[C@@H]1CN2CCC[C@@H]2CN1 PH018826 [0,0,0,1,1,0|1,0,0]=3 165 B11R2.36 OC1CCC2CCCC2C1 S350508 [0,0,0,1,1,0|2,0,0]=4 166 B11R2.36 [C@@H]12CCC[C@@H]1CN(CC2)C T167525 [0,0,0,1,1,0|2,0,0]=4 167 B13R2.6482 COC1COC2(C1)CCNCC2 CBR01667 [0,0,0,1,0,1|2,0,0]=4 168 B13R2.13154 CN1C(=O)CCC12CCCCC2 PH003346 [0,0,0,1,0,1|1,0,1]=4 169 B13R2.13132 O=C1CC2(CCCCCC2)CN1 CBR00301 [0,0,0,1,0,1|1,0,1]=4 170 B13R2.15 OC1OCOC1C2CCCCC2 T259136 [0,1,0,1,0,0|2,0,0]=4 171 B13R2.15 O[C@H]1CNC[C@@H]1N2CCCCC2 CBR01841 [0,1,0,1,0,0|2,0,0]=4 172 B13R2.4014 CC1CC2(CCCCC2)C(=O)O1 PH007761 [0,1,0,1,0,0|1,0,1]=4 173 B13R2.4559 ClCCN1CC2CCC(C1)CC2 PH019544 [0,1,0,1,0,0|2,0,0]=4 174 B13R2.14823 C(C)(OCC)C1C2C1CCCC2 T180955 [0,1,0,1,0,0|1,0,0]=3 175 B13R2.14823 C(C)(OCC)C1C2C1CCCC2 T184225 [0,1,0,1,0,0|1,0,0]=3 176 B13R2.369 CC1CC2CCCCC2CC1=O S450723 [0,1,0,1,0,0|1,0,0]=3 177 B13R2.155 OC1CCC2CCC(CC2C1)O PH010207 [0,1,0,1,0,0|2,0,0]=4 178 B9R0.8 CCCCC(O)C(C)CC S417467 [0,0,1,0,1,0|2,0,0]=4 179 B9R1.12 CCCNC1CCCC1 CBR00869 [1,0,0,0,1,0|2,0,0]=4 180 B9R1.12 NCCCC1CCCC1 CBR01730 [1,0,0,0,1,0|2,0,0]=4 181 B9R1.12 NNCCN1CCCC1 PH017235 [1,0,0,0,1,0|2,0,0]=4 182 B9R1.12 O=CCCC1CCCC1 CDS023037 [1,0,0,0,1,0|2,0,0]=4 183 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,0,1,0|1,0,1]=4 184 B9R1.6 CC(C)C1CCCCN1 PH003734 [1,0,0,0,1,0|1,0,0]=3 185 B9R1.6 CC(C)C1CCNCC1 CDS000108 [1,0,0,0,1,0|1,0,0]=3 186 B9R1.6 CC(C)C1OCCCO1 S864714 [1,0,0,0,1,0|2,0,0]=4 187 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [1,0,0,0,1,0|0,0,2]=4 188 B9R1.6 CN(C)C1CCNCC1 CDS003977 [1,0,0,0,1,0|2,0,0]=4 189 B9R1.6 N1CCC(CC1)N(C)C S346675 [1,0,0,0,1,0|2,0,0]=4 190 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,0,1,0|1,0,1]=4 191 B9R1.13 CC(C)CC1CCCN1 CDS005695 [1,0,0,0,1,0|1,0,0]=3 192 B9R1.13 CC(N)CN1CCCC1 CBR01743 [1,0,0,0,1,0|1,0,0]=3 193 B9R1.13 CC(O)CN1CCCC1 S370576 [1,0,0,0,1,0|2,0,0]=4 194 B11R1.203 CCCCC1CCCCCN1 PH015579 [1,0,0,0,0,1|1,0,0]=3 195 B11R1.203 CNCCN1CCCCCC1 PH017966 [1,0,0,0,0,1|1,0,0]=3 196 B11R1.742 CC(O)CN1CCCCCC1 S350524 [1,0,0,0,0,1|2,0,0]=4