0 B7R0.7 CC#CC(=O)OCC SY037256 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCCC(=O)OCCl SY018804 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCCC(Br)CCC SY016752 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCCC(N)CCC SY024496 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.7 CCC[C@H](N)CCO SY117417 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 CCNC(=O)NCC SY001914 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCOC(=O)CCBr SY001430 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.7 CCOC(=O)CCI SY031505 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCOC(=O)CCN SY001761 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 CCOC(=O)CCO SY008914 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.7 CCOC(=O)CNC SY007981 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.7 CCOC(=O)OCCl SY114398 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 CCCC(C)CN SY271841 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCCC(O)CO SY032914 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCC[C@@H](N)CF SY045881 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCC[C@@H](N)CO SY038521 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CCC[C@H](N)CF SY045882 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CCC[C@H](N)CO SY017944 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CCOC(=N)CCl SY026914 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 CCOC(=O)CN SY002226 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCOC(=O)CO SY002762 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCOC(=S)SC SY261921 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.1 COC(=O)OCCl SY047554 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CCCCOCCl SY264650 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.6 CCNCCCO SY023800 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 CCOCCNN SY048091 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.1 CCC#CC(=O)OCC SY045959 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.1 CCOC(=O)CCCI SY014641 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.1 CCOC(=O)CCCN SY015028 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.1 CCOC(=O)CCCO SY263197 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.1 CCOC(=O)CCNC SY019659 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.3 CCOC(=O)C(=O)CC SY025393 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.3 CCOC(=O)C(N)CC SY013355 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.5 CCCC(C)OC(=O)Cl SY285574 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.5 CCOC(=O)CC(C)Br SY018207 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.5 CCOC(=O)C[C@@H](C)O SY017544 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.5 CCOC(=O)C[C@H](C)N SY254086 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.5 CCOC(=O)OC(C)Cl SY019843 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.22 C#CC(OCC)OCC SY007404 [0,1,0,0,0,0|0,0,1]=2 39 B8R0.22 CCCC(C#N)CCC SY059783 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.22 CCOC(C#N)OCC SY036025 [0,1,0,0,0,0|0,0,1]=2 41 B8R0.22 CCOC(CO)OCC SY002893 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.30 CCOP(=O)(O)OCC SY111669 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.30 CCOP(=O)([O-])OCC SY277147 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.4 CC1CC(O)CCO1 SY023229 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.4 CC1COCC(C)N1 SY022781 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 C[C@@H]1CN(C)CCN1 SY253626 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SY002764 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY014272 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY044731 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.4 C[C@@H]1CNC[C@H](C)C1 SY023084 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 C[C@@H]1COC[C@@H](C)N1 SY240361 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 C[C@H]1CN(C)CCN1 SY102190 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SY003478 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.4 C[C@H]1CNC[C@H](C)O1 SY025495 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY039555 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY097636 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 C[C@H]1COC[C@H](C)N1 SY039541 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 C[C@H]1COC[C@H](C)N1 SY240351 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.6 CCNC1CN(C)C1 SY023943 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.8 CCO[C@@H]1CCNC1 SY011689 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.8 CCO[C@H]1CCNC1 SY108177 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.8 COCC1CCCN1 SY122813 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.8 ClCCC1CCCC1 SY036243 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.8 NCCC1OCCO1 SY052592 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.8 OCCC1CCCC1 SY032290 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.18 CC1CC(=O)OC1C SY262129 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.22 CC1CCNCCN1 SY033449 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.22 CC1CNCCCO1 SY124393 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.37 CCOC(=N)C1CC1 SY056676 [0,0,0,1,0,0|2,0,1]=4 72 B5R0.1 CC(O)CCBr SY216789 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 CCC[C@@H](C)O SY045083 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.1 CNCC(C)O SY083968 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CNC[C@H](C)O SY131109 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 C[C@@H](O)CCO SY049450 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.2 CCCCON SY013356 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.2 CCCCON SY019069 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 C#C[C@H](C)OC SY282343 [2,0,0,0,0,0|0,0,2]=4 80 B5R0.3 C=C(OC)OC SY274566 [2,0,0,0,0,0|0,0,2]=4 81 B5R0.3 CC(CBr)CBr SY038831 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.3 CC(CI)CI SY248411 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.3 CCC(Br)CC SY050135 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.3 CC[C@@H](N)CO SY049464 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.3 CC[C@H](N)CF SY045883 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.3 CNC(C)CO SY082195 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.3 COC(C)CBr SY298794 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.3 CO[C@@H](C)CN SY114788 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.2 CCC(C)CC(C)N SY018617 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.3 CCC(=O)OCCO SY301488 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.3 CCCCN(C)CC SY311327 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.3 C[C@@H](CN)CCCO SY267124 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.3 C[C@@H](CN)CCCO SY267125 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.5 CCOC(=O)C(C)N SY004290 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.5 CCOC(C)C(=O)O SY040144 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 CCOC(O)C(F)F SY007828 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.10 CCC(=O)N(C)OC SY104588 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.11 CCOS(=O)(=O)CC SY253126 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.12 CCON(CC)CC SY284911 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.12 COCC(OC)OC SY050730 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.1 COCCOCCBr SY049757 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.1 COCCOCCN SY042959 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.1 OCCOCCCBr SY250091 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.5 CCOC(=O)COCCCl SY105048 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.5 CCOC(=O)COCCI SY272402 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.5 CCO\C=C\C(=O)OCC SY225504 [0,2,0,0,0,0|1,0,1]=4 111 B9R0.35 CCOC(=N)C(=O)OCC SY047515 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.40 CCCCC(CO)CCC SY298970 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.53 CC(C)OC(=O)OC(C)C SY115238 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.53 P(=O)(OC(C)C)OC(C)C SY042621 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.15 CCCC(OCC)C(=O)O SY057661 [0,2,0,0,0,0|1,0,1]=4 116 B9R0.15 CCOC(OCC)C(=N)N SY033913 [0,2,0,0,0,0|0,0,1]=3 117 B9R0.15 CCOC(OCC)C(C)Br SY025229 [0,2,0,0,0,0|0,0,0]=2 118 B9R0.17 CCCC(CCC)CCC SY262038 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.17 CCOC(CC#N)OCC SY023158 [0,2,0,0,0,0|0,0,0]=2 120 B9R0.17 CCOC(CC=O)OCC SY269124 [0,2,0,0,0,0|0,0,0]=2 121 B9R0.17 CCOC(CCI)OCC SY291830 [0,2,0,0,0,0|0,0,0]=2 122 B9R0.17 CCOC(CCO)OCC SY029207 [0,2,0,0,0,0|0,0,0]=2 123 B9R0.59 C=CP(=O)(OCC)OCC SY009918 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.59 CCOP(=O)(CO)OCC SY037754 [0,2,0,0,0,0|1,0,0]=3 125 B7R1.1 BrCC1OCCO1 SY013531 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 C#CC1CCCO1 SY284812 [1,0,0,1,0,0|0,0,2]=4 127 B7R1.1 CC[C@@H]1CCCN1 SY103107 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.1 COC1CCNC1 SY043121 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 COC1CCNC1 SY097408 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 CO[C@@H]1CCNC1 SY042148 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 CO[C@@H]1CCNC1 SY056981 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 CO[C@H]1CCNC1 SY042488 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 ClCC1CCCO1 SY049357 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.1 FC[C@H]1CCCN1 SY098832 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 N#CC1CCCO1 SY012529 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.1 NCC1CCCC1 SY013219 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 NCC1CCCC1 SY025882 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 NC[C@@H]1CCCO1 SY012535 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.1 O=CC1CCCO1 SY024520 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.1 OCC1CCCC1 SY006011 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 OCC1CCCN1 SY013851 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 OC[C@@H]1CCCO1 SY227666 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.1 OC[C@H]1CCCN1 SY013466 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 OC[C@H]1CCCO1 SY106537 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.2 CC1CCC(=O)O1 SY011304 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.2 CC1CCC(C)N1 SY140252 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.2 CC1CCC(N)C1 SY156765 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.3 CC1CNCCO1 SY008226 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.3 CC1COCCN1 SY028991 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.3 C[C@@H]1CCCNC1 SY069171 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.3 C[C@@H]1CNCCN1 SY004931 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.3 C[C@@H]1CNCCO1 SY021208 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.3 C[C@@H]1CNCCO1 SY032742 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.3 C[C@@H]1COCCN1 SY021211 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.3 C[C@@H]1COCCN1 SY023875 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 C[C@H]1CCCNC1 SY115150 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 C[C@H]1CCCNC1 SY273114 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 C[C@H]1CNCCO1 SY021210 [1,0,0,1,0,0|1,0,0]=3 161 B7R1.3 C[C@H]1CNCCO1 SY043150 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.3 C[C@H]1COCCN1 SY002673 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 C[C@H]1COCCN1 SY023874 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 O=C1CCCCO1 SY018264 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.3 OC1CCCCO1 SY009592 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.4 CC1CCOC1=O SY051660 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.4 CC1OCCC1=O SY001818 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.6 CCOC1CNC1 SY198400 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.6 OCCC1CCO1 SY099736 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.10 CC1CC(CO)C1 SY217481 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.10 CO[C@H]1C[C@H](N)C1 SY100296 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.25 CC1(CBr)CCC1 SY265178 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.25 CC1(CN)CCC1 SY042130 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.25 COC1(C)CNC1 SY042211 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.24 C1CNCCOC1 SY002594 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.24 C1CNCCOC1 SY023485 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.2 CCN1CCN[C@@H](C)C1 SY282731 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.2 CN1CCOC(CN)C1 SY031955 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.2 CN1CCOC(CO)C1 SY011650 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.2 CN1CCO[C@H](CO)C1 SY259549 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.7 CCNC1CCN(C)C1 SY023939 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.8 BrCCC1OCCCO1 SY006188 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.8 CCNC1CCNCC1 SY015269 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.8 CCNC1CCOCC1 SY042629 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.8 CNC[C@@H]1COCCO1 SY224435 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.8 CNC[C@@H]1COCCO1 SY225468 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.12 NCCCC1CCCC1 SY057560 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.12 NCCOC1CCCC1 SY006718 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.12 NCCOC1CCCC1 SY007808 [0,1,0,1,0,0|1,0,0]=3 191 B9R1.12 OCCOC1CCCC1 SY006714 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.134 CC1(CCI)OCCO1 SY027724 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.134 CC1(CCN)OCCO1 SY008158 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.134 CC1(CCO)OCCO1 SY026035 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 SY121992 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.66 CC1(C)CC(N)CCO1 SY022790 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.66 CC1(C)CC(O)CCO1 SY023965 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.14 CCN1CCCC1CN SY007096 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.14 CCN1CCCC1CO SY081976 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.89 OCC1CNCCCO1 SY007204 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.89 OCC1CNCCCO1 SY011928 [0,1,0,1,0,0|2,0,0]=4 202 B9R2.39 NC1CC2CCC1O2 SY140876 [0,0,0,2,0,0|2,0,0]=4 203 B9R2.68 C1CC2CCC(C1)N2 SY097135 [0,0,0,2,0,0|2,0,0]=4 204 B9R2.68 C1CC2CNCC1O2 SY039502 [0,0,0,2,0,0|2,0,0]=4 205 B9R2.173 C1COC2(C1)CNC2 SY113900 [0,0,0,2,0,0|2,0,0]=4