0 B8R0.8 C#CCOC(C)C(=O)O OR40324 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 CCCCC(C)CC OR9114 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.3 CCCC[C@@H](N)CO OR316035 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.3 CCCC[C@H](N)CO OR316034 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 C#CCCCC(=O)O OR30593 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 CC(=O)NCCCO OR26764 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CCCCCC(=O)Cl OR8839 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCCC(=O)O OR6007 [1,0,0,0,0,0|0,0,0]=1 8 B7R0.4 CCCCCC(C)N OR10072 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCOC=CC(=O)O OR27579 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 C\C=C\CCC(=O)O OR60122 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.4 NCCCCC(=O)O OR310635 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.4 O=C(Cl)CCCCBr OR18308 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 O=C(O)CCCCBr OR9972 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.4 O=C(O)COCCCl OR301184 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 C#CC[C@H](N)C(=O)O OR61064 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.5 C=CC[C@@H](N)C(=O)O OR14737 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.5 C=CC[C@H](N)C(=O)O OR14736 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.5 CNCC(N)C(=O)O OR6120T [1,0,0,0,0,0|2,0,0]=3 19 B7R0.5 COCC(Cl)C(=O)O OR15940 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 COCC(N)C(=O)O OR14804 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 COC[C@H](N)C(=O)O OR55011 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 NCCC(N)C(=O)O OR28169 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.6 CCOC(=O)C(C)C(C)=O OR51898 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.7 CC(=O)SCC(C)C(=O)O OR2320 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O OR61506 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.8 CCCCC(C)C(C)CC OR54624 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.8 COC(=O)C(Br)CCCBr OR8857 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.13 CCCCC(CC)C(=O)O OR16495 [0,1,0,0,0,0|0,0,0]=1 30 B9R0.13 CCCCC(CC)C(=O)[O-] OR46573 [0,1,0,0,0,0|0,0,1]=2 31 B9R0.42 COC(=O)C[C@H](N)C(=O)O OR911506 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.47 CCCCCC(C)C(C)C OR2371 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.47 NCCCC[C@H](N)C(=O)O OR14752 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.47 NCCCC[C@H](N)C(=O)O OR52570 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.51 CCCCC(C)(C)C(=O)O OR4136 [0,1,0,0,0,0|0,0,0]=1 36 B9R1.5 CN1CCCCCC1=O OR24564 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.5 NC1CCCCNC1=O OR28685 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.5 O=C1CCCCNC1=O OR52235 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.6 CC(=O)C1CCCCC1 OR2012 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.6 CC(=O)C1CCOCC1 OR60176 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.6 CC(=O)N1CCNCC1 OR5122 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.6 CN(C)C1CCCCC1 OR19541 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.6 N=C(N)C1CCOCC1 OR59977 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.6 N=C(N)N1CCCCC1 OR24082 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.6 NC(=O)C1CCCCC1 OR27734 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.6 NC(=O)C1CCCNC1 OR13974 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.6 NC(=O)C1CCNCC1 OR28687 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.6 NC(=O)C1CCOCC1 OR9367 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.6 NC(=S)C1CCOCC1 OR59976 [0,0,0,1,0,0|2,1,0]=4 50 B9R1.6 O=C(Cl)C1CCCCO1 OR346346 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.6 O=C(Cl)C1CCOCC1 OR14254 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.6 O=C(Cl)N1CCOCC1 OR8831 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.6 O=C(O)C1=COCCC1 OR303311 [0,0,0,1,0,0|1,0,2]=4 54 B9R1.6 O=C(O)C1CC=CCC1 OR30377 [0,0,0,1,0,0|0,0,2]=3 55 B9R1.6 O=C(O)C1CCCCC1 OR40331 [0,0,0,1,0,0|0,0,0]=1 56 B9R1.6 O=C(O)C1CCCCN1 OR6924 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.6 O=C(O)C1CCCNC1 OR8589 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.6 O=C(O)C1CCCOC1 OR70150 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.6 O=C(O)C1CCNCC1 OR6923 [0,0,0,1,0,0|1,0,0]=2 60 B9R1.6 O=C(O)C1CCOCC1 OR10587 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.6 O=C(O)C1CCSCC1 OR15954 [0,0,0,1,0,0|1,0,0]=2 62 B9R1.6 O=C(O)C1CNCCN1 OR0237 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.6 O=C(O)C1CNCCN1 OR4574 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.6 O=C(O)C1CNCCO1 OR308153 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.6 O=C(O)C1CNCCO1 OR350283 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.6 O=C(O)C1CSCCN1 OR6324 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.6 O=C(O)[C@@H]1CCCNC1 OR8967 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR15638 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR40310 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.6 O=C(O)[C@@H]1CNCCO1 OR308154 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.6 O=C(O)[C@@H]1COCCN1 OR52358 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.6 O=C(O)[C@H]1CCCCN1 OR350111 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.6 O=C(O)[C@H]1CCCNC1 OR8968 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15637 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15639 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.6 O=C(O)[C@H]1CNCCO1 OR308155 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.6 O=C(O)[C@H]1COCCN1 OR52357 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.6 OB(O)C1CCCCC1 OR13116 [0,0,0,1,0,0|1,0,1]=3 79 B9R1.23 CN1CC(CO)CC1=O OR42168 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.35 CN1CCC(C(=O)O)C1 OR40451 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 OR61276 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 OR54386 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR30677 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 OR307108 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 OR307107 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 OR30676 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 OR6733 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 OR30769 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 OR8964 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR17254 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR40650 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.35 O=C1CCC(C(=O)O)C1 OR301089 [0,0,0,1,0,0|1,0,1]=3 93 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 OR8965 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 OR22101 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.35 O=C1CC[C@H](C(=O)O)N1 OR8966 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.93 C=CC1CC1(N)C(=O)O OR16000 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.112 O=C(O)[C@H](O)CC1CC1 OR55546 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.163 CC1(C(N)=O)CSSC1 OR16015 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.163 C[C@@]1(C(=O)O)CCCN1 OR8903 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.163 N[C@]1(C(=O)O)CCNC1 OR15987 [0,0,0,1,0,0|2,0,0]=3 101 B9R0.4 CCCCC(C)CC(C)C OR54625 [0,0,0,0,0,1|2,0,1]=4 102 B6R0.1 CCCC(C)C=O OR40018 [2,0,0,0,0,0|0,0,0]=2 103 B6R0.4 C#CCCC(=O)O OR5526 [2,0,0,0,0,0|0,0,2]=4 104 B6R0.4 C=CCC[C@@H](C)O OR304052 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.4 CC(=O)CCCCl OR10086 [2,0,0,0,0,0|1,0,1]=4 106 B6R0.4 CCC#CC(=O)O OR70066 [2,0,0,0,0,0|0,0,2]=4 107 B6R0.4 CCC=CC(=O)O OR6566 [2,0,0,0,0,0|0,0,2]=4 108 B6R0.4 CCCCB(O)O OR10619 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.4 CCCCC(C)=O OR10020 [2,0,0,0,0,0|0,0,1]=3 110 B6R0.4 CCCC[C@H](C)O OR304042 [2,0,0,0,0,0|0,0,0]=2 111 B6R0.4 CCCOC(C)=O OR5312 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.4 CCOCC(=O)O OR6531 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.4 CNCCC(=O)O OR301194 [2,0,0,0,0,0|1,0,0]=3 114 B6R0.4 CNCCC(N)=O OR17506 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.4 NCCCC(=O)O OR01972 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.4 O=C(Cl)CCCCl OR5355 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 O=C(O)CCCBr OR4284 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.6 C#CCCCCC OR5511 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.6 C=CCCCCBr OR7533 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.6 C=CCCCCC OR01828 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.6 C=CCCCCCl OR53170 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.6 C=CCCCCO OR14506 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.6 CCCCCC=O OR6051 [2,0,0,0,0,0|0,0,0]=2 124 B6R0.6 CCCCCCCl OR52582 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.6 CCCCCCI OR2177 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.6 CCCCCCN OR5310 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.6 CCCCCCS OR40389 [2,0,0,0,0,0|0,1,1]=4 128 B6R0.6 CCCCCNC OR60037 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.6 CCC\C=C\C=O OR6052 [2,0,0,0,0,0|0,0,2]=4 130 B6R0.6 NCCCCCO OR10081 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 NCCCCCO OR51934 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.6 NCCCCCO OR55441 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.6 OCCCCCCl OR6509 [2,0,0,0,0,0|1,0,1]=4 134 B6R0.3 CCC(N)C(=O)O OR9986 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 CC[C@H](C)C(=O)O OR315294 [2,0,0,0,0,0|0,0,0]=2 137 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.3 CC[C@H](N)C(=O)O OR01636 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.3 CC[C@H](N)C(N)=O OR46608 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.3 CNC(C)C(=O)O OR930477 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 C\C=C(\C)C(=O)O OR28647 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.3 NCC(N)C(=O)O OR42215 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.3 NCC(N)C(=O)O OR5494 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.3 NCC(O)C(=O)O OR322969 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.3 O=C(O)C(Br)CBr OR4887 [2,0,0,0,0,0|2,0,0]=4 148 B8R0.6 CCCCCN(C)N=O OR3650T [1,1,0,0,0,0|2,0,0]=4 149 B8R0.6 CCCOCC(O)CO OR60027 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.9 CCC(C)CCC(C)C OR52417 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.11 CCCCC(CC)CBr OR460077 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.25 CC(C)(CO)CCCN OR12007 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.5 CCC\C(C)=C\C(=O)O OR70168 [1,1,0,0,0,0|0,0,2]=4 154 B8R0.5 CCOC(=O)CC(=O)O OR54513 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.7 C=C(C)CCCCCC OR01852 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.7 C=C(C)CCCCCCl OR2949 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.7 CC(=O)OCCCCI OR27557 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.7 CCCCCCC(C)=O OR46056 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.7 CCCCCC[C@H](C)O OR304045 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.7 COCCOCC(=O)Cl OR59982 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.7 NCCCCCC(=O)O OR46222 [1,1,0,0,0,0|0,0,0]=2 162 B8R0.7 O=C(O)CCCCCBr OR9393 [1,1,0,0,0,0|0,0,0]=2 163 B8R0.7 O=C(O)CCCCCO OR200084 [1,1,0,0,0,0|0,0,0]=2 164 B8R0.28 C=C(C)CCCC(=O)O OR16969 [1,1,0,0,0,0|0,0,1]=3 165 B8R0.28 CC(=O)CCCN(C)C OR22887 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.2 CCC(O)C(Cl)C(=O)O OR22130 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O OR14897 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O OR61331 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OR322114 [1,1,0,0,0,0|1,0,1]=4 170 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O OR1555 [0,1,0,0,0,1|1,0,1]=4 171 B10R0.43 CC(C)(CCC(=O)O)C(=O)O OR2204 [0,2,0,0,0,0|1,0,1]=4 172 B10R0.19 CCOC(=O)[C@@H](N)CCSC OR26814 [0,2,0,0,0,0|2,0,0]=4 173 B10R0.42 CC(C)(NCCC#N)C(=O)O OR470437 [0,2,0,0,0,0|1,0,1]=4 174 B8R1.1 CCC1OCC(C)O1 OR60175 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.2 C=CC1CCCCC1 OR11249 [1,0,0,1,0,0|1,0,0]=3 176 B8R1.2 CNC1CCCCC1 OR8357 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.2 Cl[Mg]C1CCCCC1 OR320011 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.2 N#CC1CCCCC1 OR27707 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.2 NCC1CCCCC1 OR5167 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.2 NNC1CCCCC1 OR5641 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.2 O=CC1CCCCC1 OR0996 [1,0,0,1,0,0|0,0,0]=2 182 B8R1.2 O=CC1CCCOC1 OR70049 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.2 O=CC1CCNCC1 OR2970 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.2 O=CC1CCOCC1 OR9347 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.2 O=CC1CCSCC1 OR14931 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.2 O=CN1CCCCC1 OR5448 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.2 O=CN1CCNCC1 OR5121 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.2 OCC1CCCCN1 OR16434 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.2 OCC1CCCCO1 OR5628 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.2 OCC1CCCOC1 OR70047 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.2 OCC1CCNCC1 OR3906 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.2 OCC1CCOCC1 OR10585 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.2 OCC1CCSCC1 OR30548 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.5 CC1CCCCC1O OR10028 [1,0,0,1,0,0|0,0,1]=3 195 B8R1.5 CC1CCCNC1=O OR22899 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.5 CN1CCNCC1=O OR301209 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.5 NC1CCCCC1O OR21260 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.5 N[C@@H]1CCCC[C@@H]1O OR307602 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.5 N[C@@H]1CCCC[C@H]1O OR307600 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.5 N[C@@H]1CCCC[C@H]1O OR307601 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.5 N[C@H]1CCCC[C@@H]1O OR70141 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.5 N[C@H]1CCCC[C@H]1O OR350531 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.5 O=C1CCCCC1=O OR0317 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.5 O[C@@H]1CCCC[C@H]1O OR8451T [1,0,0,1,0,0|1,0,1]=4 205 B8R1.5 O[C@H]1CCCC[C@H]1O OR51977 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.38 NC(CO)C1CCC1 OR451135 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.47 COC1CC(CO)C1 OR55388 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.50 CC1CCC(=O)C1=O OR28640 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.50 CC1CCN(C)C1=O OR11733 [1,0,0,1,0,0|1,0,0]=3 210 B8R1.50 CN1CCN(C)C1=O OR10114 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.4 CC1CC(=O)CCO1 OR54543 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.4 CN1CCCC(=O)C1 OR55488 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.4 CN1CCCC(=O)C1 OR55582 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.7 NC(=O)[C@@H]1CCCN1 OR3107 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.7 O=C(Cl)C1CCOC1 OR16566 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.7 O=C(O)C1CC=CC1 OR12005 [1,0,0,1,0,0|0,0,2]=4 218 B8R1.7 O=C(O)C1CCCC1 OR18358 [1,0,0,1,0,0|0,0,0]=2 219 B8R1.7 O=C(O)C1CCCN1 OR350110 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.7 O=C(O)C1CCCO1 OR10057 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.7 O=C(O)C1CCOC1 OR16452 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.7 O=C(O)C1NCCS1 OR25449 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.7 OB(O)C1CCCC1 OR7833 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.34 O=C(O)C=C1CCC1 OR317078 [1,0,0,1,0,0|0,0,2]=4 227 B8R1.34 O=C(O)CC1CCC1 OR312055 [1,0,0,1,0,0|0,0,0]=2 228 B8R1.35 O=C(O)CCC1CC1 OR313064 [1,0,0,1,0,0|0,0,0]=2 229 B8R1.23 C=C1CC(C(=O)O)C1 OR6346 [1,0,0,1,0,0|0,0,2]=4 230 B8R1.23 CN1CC(C(=O)O)C1 OR308026 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR8278 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.23 O=C1CC(C(=O)O)C1 OR40464 [1,0,0,1,0,0|1,0,1]=4 233 B8R1.78 CC(=O)C1(C)COC1 OR317039 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.78 CC1(C(=O)O)CCC1 OR317127 [1,0,0,1,0,0|0,0,0]=2 235 B8R1.78 CC1(C(=O)O)CCO1 OR309088 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.78 CC1(C(=O)O)COC1 OR301351 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.78 NC1(C(=O)O)CCC1 OR17036 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.78 NC1(C(=O)O)CNC1 OR40735 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.18 CC(=O)NC1CCNCC1 OR13965 [0,0,0,1,0,1|2,0,0]=4 240 B10R1.18 CC(=O)N[C@H]1CCCNC1 OR43530 [0,0,0,1,0,1|2,0,0]=4 241 B10R1.18 O=C(Cl)CC1CCOCC1 OR14881 [0,0,0,1,0,1|2,0,0]=4 242 B10R1.18 O=C(O)CC1CCCCC1 OR7120 [0,0,0,1,0,1|0,0,0]=2 243 B10R1.18 O=C(O)CC1CCOCC1 OR10586 [0,0,0,1,0,1|1,0,0]=3 244 B10R1.18 O=C(O)CN1CCCCC1 OR5652 [0,0,0,1,0,1|1,0,0]=3 245 B10R1.18 O=C(O)CN1CCNCC1 OR4183 [0,0,0,1,0,1|2,0,0]=4 246 B10R1.18 O=C(O)CN1CCOCC1 OR5654 [0,0,0,1,0,1|2,0,0]=4 247 B10R1.61 CC1=C(C(=O)O)CCCO1 OR30416 [0,0,0,1,0,1|1,0,1]=4 248 B10R1.61 CN1CCCCC1C(=O)O OR24941 [0,0,0,1,0,1|1,0,0]=3 249 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O OR307111 [0,0,0,1,0,1|1,0,0]=3 250 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O OR309358 [0,0,0,1,0,1|1,0,0]=3 251 B10R1.28 O=S(=O)(Cl)C1CCCCC1 OR12995 [0,1,0,1,0,0|1,0,1]=4 252 B10R1.28 O=S(=O)(Cl)C1CCCCC1 OR2831 [0,1,0,1,0,0|1,0,1]=4 253 B10R1.23 N[C@H](C(=O)O)C1CCCC1 OR451207 [0,1,0,1,0,0|1,0,0]=3 254 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 OR8976 [0,1,0,1,0,0|0,0,2]=4 255 B10R1.13 CC(=O)N1CCC(N)CC1 OR17566 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.13 CN1CCC(C(=O)O)CC1 OR5738 [0,1,0,1,0,0|1,0,0]=3 257 B10R1.13 CN1CCC(C(=O)O)CC1 OR6930 [0,1,0,1,0,0|1,0,0]=3 258 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 OR307148 [0,1,0,1,0,0|1,0,0]=3 259 B10R1.13 NC1CCC(C(=O)O)CC1 OR17541 [0,1,0,1,0,0|0,0,0]=2 260 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 OR3286 [0,1,0,1,0,0|0,0,0]=2 261 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 OR3299 [0,1,0,1,0,0|0,0,0]=2 262 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 OR40634 [0,1,0,1,0,0|0,0,0]=2 263 B10R1.13 O=C1CCC(C(=O)O)CC1 OR6345 [0,1,0,1,0,0|0,0,1]=3 264 B10R1.58 CN1CC(C(=O)O)CC1=O OR6333 [0,1,0,1,0,0|1,0,1]=4 265 B10R1.349 CC(=O)N1CC(C(=O)O)C1 OR451028 [0,1,0,1,0,0|1,0,1]=4 266 B10R1.359 CC1(C)CCC(C(=O)O)C1 OR306499 [0,1,0,1,0,0|0,0,0]=2 267 B10R1.14 COC(=O)C1CCC(=O)C1 OR42206 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 OR14759 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 OR17883 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 OR17882 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.15 CNC(=O)C1CCNCC1 OR949865 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.15 COC(=O)C1CC=CCC1 OR0842 [0,1,0,1,0,0|0,0,2]=4 273 B10R1.15 COC(=O)C1CCCCC1 OR350217 [0,1,0,1,0,0|0,0,0]=2 274 B10R1.15 COC(=O)C1CCNCC1 OR8795 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.15 COC(=O)C1CCOCC1 OR10552 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.15 COC(=O)C1CCSCC1 OR52430 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.15 COC(=O)N1CCNCC1 OR313091 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.15 COC(=O)[C@@H]1CCCCN1 OR460008 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.15 COC(=O)[C@@H]1COCCN1 OR308167 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.15 COC(=O)[C@H]1CCCCN1 OR460007 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.15 N=C(NO)C1CCCCC1 OR52382 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.15 NNC(=O)C1CCOCC1 OR110996 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.15 O=C(CCl)N1CCCCC1 OR49021 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.184 COC(=O)[C@H](O)CC1CC1 OR919615 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.194 CN1CCC(C(=O)O)C1=O OR938615 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.348 O=C(O)C1CCCCCC1 OR6532 [0,1,0,1,0,0|0,0,0]=2 287 B10R1.113 CC(=O)C1CCCN(C)C1 OR55485 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.113 CC(=O)C1CCCN(C)C1 OR55583 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.113 CN1CCCC(C(=O)O)C1 OR5741 [0,1,0,1,0,0|0,0,0]=2 290 B10R1.113 CN1CCCC(C(=O)O)C1 OR6929 [0,1,0,1,0,0|0,0,0]=2 291 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 OR55486 [0,1,0,1,0,0|0,0,0]=2 292 B10R1.113 CN1CCC[C@H](C(=O)O)C1 OR55487 [0,1,0,1,0,0|0,0,0]=2 293 B10R1.113 NC1CCCC(C(=O)O)C1 OR3300 [0,1,0,1,0,0|0,0,0]=2 294 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 OR52453 [0,1,0,1,0,0|0,0,0]=2 295 B10R1.113 O=C1CCCC(C(=O)O)C1 OR12931 [0,1,0,1,0,0|0,0,1]=3 296 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 OR51818 [0,1,0,1,0,0|1,0,1]=4 297 B10R1.363 CC1(C(=O)O)CCCCC1 OR0611 [0,1,0,1,0,0|0,0,0]=2 298 B10R2.62 O=C1CN2CCC1CC2 OR6941 [0,0,0,2,0,0|2,0,0]=4 299 B10R2.355 [C@@H]12CNC(C(=O)O)[C@@H]1C2 OR14181 [0,0,0,2,0,0|1,0,0]=3 300 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 OR310264 [0,0,0,2,0,0|1,0,0]=3 301 B10R2.638 O=C(O)C1CC12CCC2 OR7101 [0,0,0,2,0,0|0,0,0]=2