0 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.28 CC(C)CCOC(=O)Cl OR471322 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.28 CC(C)C\C=C\B(O)O OR361460 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.28 CN(C)C\C=C\C(=O)O OR471113 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.28 NC(=O)CCC[N+](=O)[O-] OR322599 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.28 NC(=O)COCC(=O)O OR28494 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.28 O=C(O)CCCC(=O)O OR10039 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CC(=O)CCCCCl OR10952 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCC=C(F)F PC5675 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCCCB(O)O OR360127 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CCCCCC(C)=O OR10122 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 CCCCC[C@@H](C)O OR304043 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCCCC[C@H](C)O OR304044 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 CCC\C=C\C(=O)O OR301183 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.4 COCCCN(C)C OR24103 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 CSCCCC(=O)O OR307008 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 NCCCCC(=O)O OR24917 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 O=C(O)COCCBr BIPG1337 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.1 O=C(O)CCNC(=O)CBr OR323192 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.7 CC(CCC(=O)O)C(=O)O OR315231 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O OR8840 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.56 O=C(O)CCCC(F)(F)F PC4455 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.35 CC(=O)C1CCC(=O)O1 OR22581 [0,0,0,1,0,0|1,0,1]=3 23 B9R1.35 CC1NC(C(=O)O)CS1 OR24669 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.35 NC(=O)C1CC(O)CN1 OR322526 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 PC409008 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR450007 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 PC5718 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 PC5719 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 PC4474 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.35 O=C1CC(C(=O)O)CN1 OR315602 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 O=C1CCC(C(=O)O)N1 OR350322 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 O=C1CN[C@H](C(=O)O)C1 OR309140 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.35 O=C1OCC(C(F)F)O1 PC53262 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.49 CN1CCCC(=O)CC1 OR350265 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 OR317294 [0,0,0,1,0,0|1,0,0]=2 36 B9R1.85 O=C(O)CCNC1CC1 OR471206 [0,0,0,1,0,0|1,0,0]=2 37 B7R0.6 CC(=O)CCC(C)C OR10031 [0,0,0,0,1,0|1,0,0]=2 38 B7R0.6 CC(C)CCC(=N)N OR322496 [0,0,0,0,1,0|2,0,0]=3 39 B7R0.6 CC(N)CCC(=O)O OR53204 [0,0,0,0,1,0|1,0,0]=2 40 B7R0.6 CN(C)CCC(=O)O OR322402 [0,0,0,0,1,0|1,0,0]=2 41 B7R0.6 O=C(O)CCC(=O)O OR14341 [0,0,0,0,1,0|2,0,1]=4 42 B9R0.55 CC(=N)NCCCN(C)C OR23769 [0,0,0,0,0,1|3,0,0]=4 43 B9R0.55 CC(=O)NCCCC(=O)O OR22610 [0,0,0,0,0,1|1,0,1]=3 44 B9R0.55 CC(=O)NCCCN(C)C OR471086 [0,0,0,0,0,1|2,0,0]=3 45 B9R0.55 CC(C)CCCCC(=O)Cl OR53088 [0,0,0,0,0,1|1,0,0]=2 46 B9R0.55 CC(C)CC\C=C\B(O)O OR361439 [0,0,0,0,0,1|1,0,2]=4 47 B6R0.4 C=CCC[C@H](C)O OR304053 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CC(C)CCCCl OR22928 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 CCCCC(=N)N OR470546 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CCCCC(C)O OR10018 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.4 CCCC[C@@H](C)N OR315266 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CCCC[C@@H](C)O OR304041 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 CCCC[C@H](C)N OR315267 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.4 CCNCC(=O)O OR322207 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.4 CN(C)CCCO OR5472 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 COCCC(=O)O OR315601 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.6 CCCCCCF PC4817 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 CCCCC[Mg]Br OR320127 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 CCCCC[Mg]Br OR320128 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.6 CCCCC[Mg]Cl OR320129 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 CCCCC[Mg]Cl OR320130 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 CCOCCCO OR0975 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.5 CCCC(N)CC(=O)O OR307567 [1,1,0,0,0,0|0,0,0]=2 64 B8R0.6 CCCCCC(O)CC OR10038 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.6 CCCCC[C@@H](O)CCl OR304095 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.6 CCCCC[C@H](O)CCl OR304096 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.6 CCCCOC(=O)CF PC1611G [1,1,0,0,0,0|2,0,0]=4 68 B8R0.6 COC(=O)OCCCF PC450398 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 C#CCOCCC(=O)O BIPG1703 [1,1,0,0,0,0|0,0,2]=4 70 B8R0.7 CCCCCC=C(F)F PC5676 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.7 CCCCCC[C@@H](C)O OR10015 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.7 CCCCOCC(=O)O OR470003 [1,1,0,0,0,0|0,0,0]=2 73 B8R0.7 NC(=O)CCCCCBr OR322129 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.7 NCCOCCC(=O)O BIPG1030 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.7 O=C(O)CCCCCI OR183411 [1,1,0,0,0,0|0,0,0]=2 76 B8R0.7 O=C(O)CCOCCBr BIPG1321 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.7 O=C(O)CCOCCO BIPG1427 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.7 OB(O)CCCCCBr OR360449 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.8 CCOC[C@H](N)C(=O)O OR307096 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.9 CCC(C)COC(=O)Cl OR471440 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.9 CCC(Cl)CCC(=O)Cl OR470809 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.21 COCCCS(=O)(=O)O OR470148 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.21 O=P(O)(O)CCCCBr OR323069 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.23 CC(C)C[C@H](F)C(=O)O PC6852 [0,1,0,0,1,0|0,0,0]=2 85 B8R0.23 CC(C)NC(=O)C(=O)O OR470739 [0,1,0,0,1,0|1,0,1]=4 86 B8R0.23 CS(=O)C[C@H](N)C(=O)O OR480202 [0,1,0,0,1,0|2,0,0]=4 87 B8R0.29 CC(C)(N)CCC(=O)O OR53210 [0,1,0,0,1,0|0,0,0]=2 88 B8R0.29 CC(C)(S)CCC(=O)O OR323129 [0,1,0,0,1,0|0,0,0]=2 89 B8R0.29 O=C(O)CCC(F)(F)F PC7292 [0,1,0,0,1,0|2,0,0]=4 90 B10R0.3 CCOC(=O)CCCC(=O)O OR322209 [0,2,0,0,0,0|1,0,1]=4 91 B10R0.82 COC(=O)CC[C@H](N)C(=O)O OR350212 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.82 NCC(F)CCC(N)C(=O)O PC3816L [0,2,0,0,0,0|1,0,0]=3 93 B10R0.92 NC(CCC(F)(F)F)C(=O)O PC7813 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.92 O=C(O)C(Br)CCC(F)(F)F PC51181 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.1 O=C1NC[C@H](CO)O1 OR315209 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.4 CC1CC(O)CCO1 OR321472 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.4 CN1CCNC(=O)C1 OR309137 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.6 CN1CC(CCO)C1 OR317166 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.7 NC(=O)N1CCCC1 OR302521 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.7 O=C(O)C1=CCCC1 OR322492 [1,0,0,1,0,0|0,0,2]=4 101 B8R1.7 O=C(O)C1CCNC1 OR301045 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.7 O=C(O)C1CCNC1 OR309145 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.7 O=C(O)[C@@H]1CCNC1 OR309146 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.7 O=C(O)[C@H]1CCCO1 OR315017 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.7 O=C(O)[C@H]1CCNC1 OR309147 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.22 O=C1CCCCSC1 OR8959 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.34 CC(=O)CC1COC1 OR302357 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.34 O=C(O)CC1CNC1 OR451017 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.34 O=C(O)CC1CNC1 PC420016 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.34 O=C(O)CC1COC1 OR308013 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.36 OCCCCC1CN1 OR340173 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.72 CC1(C)CCCNC1 OR480206 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.3 C=C1CCC(C)CC1 OR311182 [0,0,0,1,1,0|2,0,0]=4 114 B8R1.3 CC1CCC(O)CC1 OR10029 [0,0,0,1,1,0|1,0,1]=4 115 B8R1.3 O=C1CCC(F)CC1 PC409038 [0,0,0,1,1,0|2,0,0]=4 116 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 OR317068 [0,0,0,1,1,0|0,0,0]=2 117 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 OR317069 [0,0,0,1,1,0|0,0,0]=2 118 B8R1.23 NC1CC(C(=O)O)C1 OR322763 [0,0,0,1,1,0|1,0,0]=3 119 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR317054 [0,0,0,1,1,0|1,0,0]=3 120 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 OR317055 [0,0,0,1,1,0|1,0,0]=3 121 B8R1.23 O=C(O)C1CC(F)C1 PC405004 [0,0,0,1,1,0|1,0,0]=3 122 B8R1.23 O=C(O)C1CC(O)C1 OR308101 [0,0,0,1,1,0|1,0,0]=3 123 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 OR317124 [0,0,0,1,1,0|1,0,0]=3 124 B8R1.77 O=C(O)C1CC1(Cl)Cl OR27835 [0,0,0,1,1,0|2,0,0]=4 125 B8R1.77 O=C(O)C1CC1(F)Cl PC9539 [0,0,0,1,1,0|2,0,0]=4 126 B8R1.77 O=C(O)C1CC1(F)F PC7892 [0,0,0,1,1,0|2,0,0]=4 127 B10R1.54 CC(C)C[C@H]1COC(=O)N1 OR471431 [0,0,0,1,0,1|1,0,0]=3 128 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 OR55190 [0,0,0,1,0,1|0,0,0]=2 129 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 OR480267 [0,0,0,1,0,1|1,0,0]=3 130 B10R1.128 C[C@@]1(N)CCC[C@@H]1C(=O)O OR309428 [0,0,0,1,0,1|1,0,0]=3 131 B10R1.361 CC(=O)N1CCC1C(=O)O OR451020 [0,0,0,1,0,1|1,0,1]=4 132 B10R1.13 CC(C)N1CCC(=O)CC1 OR9064 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.13 CC1=CCC(C(=O)O)CC1 OR310527 [0,1,0,1,0,0|0,0,1]=3 134 B10R1.13 CC1CCC(C(=O)O)CC1 OR307149 [0,1,0,1,0,0|0,0,0]=2 135 B10R1.13 CC1CCC(C(N)=O)CN1 OR302405 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 OR307147 [0,1,0,1,0,0|0,0,0]=2 137 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 OR471452 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 PC409019 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 PC409020 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 OR52665 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.194 CC(C)[C@H]1COC(=O)N1N OR55402 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O OR317299 [0,1,0,1,0,0|0,0,0]=2 143 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 PC201261 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 PC53160 [0,1,0,1,0,0|1,0,0]=3 145 B10R1.329 CC1(C)CC(=O)CC(=O)N1 OR315417 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.371 O=C(O)CC1CC(F)(F)C1 PC409045 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 OR312072 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.347 O=C(O)[C@@H]1C[C@@H]1C(F)(F)F PC405624 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.347 O=C(O)[C@H]1C[C@@H]1C(F)(F)F PC405626 [0,1,0,1,0,0|2,0,0]=4 150 B10R2.348 O=C(O)C12CC(CN1)C2 OR301235 [0,0,0,2,0,0|1,0,0]=3 151 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O OR310263 [0,0,0,2,0,0|1,0,0]=3 152 B6R0.2 CC(C)C[C@@H](C)O OR304054 [0,0,0,0,2,0|1,0,1]=4 153 B6R0.2 CC(C)C[C@H](C)O OR304055 [0,0,0,0,2,0|1,0,1]=4 154 B6R0.2 CC(C)NC(N)=O OR54393 [0,0,0,0,2,0|2,0,0]=4 155 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,0,0,0,2,0|1,0,1]=4