0 B7R0.4 CCCCC[C@@H](C)O OR304043 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CCCCC[C@H](C)O OR304044 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CCNCCN(C)C OR200108 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 COCCCN(C)C OR24103 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 C=CCC[C@H](C)O OR304053 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 CC(=O)OCC=O OR30432 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CC(C)CCCCl OR22928 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 CC(C)NCC#N OR25099 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CCCCC(C)O OR10018 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CCCC[C@@H](C)N OR315266 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CCCC[C@@H](C)O OR304041 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CCCC[C@H](C)N OR315267 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CN(C)CCCO OR5472 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCCCCF PC4817 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCCCC[Mg]Br OR320127 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 CCCCC[Mg]Br OR320128 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 CCCCC[Mg]Cl OR320129 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CCCCC[Mg]Cl OR320130 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 CCOCCCO OR0975 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.28 CC(C)CCOC(=O)Cl OR471322 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.28 CN(C)C\C=C\C(=O)O OR471113 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.4 CC1CC(O)CCO1 OR321472 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 CN1CCNC(=O)C1 OR309137 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.72 CC1(C)CCCNC1 OR480206 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.72 CC1(O)CCOCC1 OR451221 [0,0,0,1,0,0|2,0,1]=4 26 B5R0.1 C=CCC(C)N OR55255 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 C=CC[C@@H](C)O OR304050 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CC(Br)CCBr OR9604 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CC(C)=CC=O OR315230 [2,0,0,0,0,0|0,0,2]=4 30 B5R0.1 CC(C)C[Mg]Br OR320117 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 CC(C)C[Mg]Br OR320118 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CC(C)C[Mg]Cl OR320119 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 CC(C)C[Mg]Cl OR320120 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(C)C[Mg]Cl OR320121 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CCCC(C)O OR460068 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CCC[C@@H](C)O OR304039 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 CCC[C@H](C)O OR304040 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CN(C)CCO OR322433 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 COC[C@@H](C)O OR304070 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 COC[C@H](C)O OR304071 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 C[C@@H](O)CCN OR304064 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 C[C@H](O)CCN OR304065 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 C[C@H](O)CCO OR315271 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 CCCCCF PC1120 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.2 CCCC[Mg]Br OR320112 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 CCCC[Mg]Br OR320113 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 CCCC[Mg]Cl OR320114 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 CCCC[Mg]Cl OR320115 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 CCCC[Mg]Cl OR320116 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 O=CCCCF PC53182 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.2 CC(C)CC(N)C#N OR470557 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.5 CC(C)C(N)CCO OR307620 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.6 CC(=O)CCC(C)C OR10031 [1,1,0,0,0,0|0,0,0]=2 54 B7R0.6 CC(=O)OCC(F)F PC2808 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.6 CC(C)CCC(=N)N OR322496 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.6 CC(N)CCC(=O)O OR53204 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.6 CN(C)CCC(=O)O OR322402 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.6 O=C(Cl)OCC(F)F PC450490 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.8 C=CCC[Si](C)(C)C OR9105 [1,1,0,0,0,0|1,1,0]=4 60 B7R0.8 O=CCCC(F)(F)F PC53109 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.8 O=COCC(F)(F)F PC0989 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.1 C=CCCCCCCl OR2940 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.55 CC(=O)NCCCN(C)C OR471086 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.55 CC(C)CCCCC(=O)Cl OR53088 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.55 CC(C)CC\C=C\B(O)O OR361439 [0,2,0,0,0,0|1,0,1]=4 66 B7R1.2 CC1COC(=O)N1 OR471432 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.2 CN1CCC(=O)C1 OR309136 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.2 C[C@H]1COC(=O)O1 OR315317 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.2 O=C1C[C@@H](O)CN1 OR322659 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 O=C1OCC(F)O1 PC6702 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.10 CO[C@H]1C[C@@H](N)C1 OR317139 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.10 CO[C@H]1C[C@H](N)C1 OR317140 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.4 CC1SCCC1=O OR350261 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.4 CN1CCNC1=O OR480211 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.4 N[C@@H]1CCOC1=O OR350154 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.4 N[C@H]1CCNC1=O OR313015 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.4 O=C1NCCC1Br OR43677 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.34 CC1CC(=O)CC(C)N1 OR302442 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 OR315210 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 OR317294 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.136 O=CNC1CC(F)(F)C1 PC421232 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.1 CN1CCC(C=O)CC1 OR480247 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.49 CN1CCCC(=O)CC1 OR350265 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.6 CC(C)N1CCOCC1 OR300167 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.6 CC(C)[C@@H]1COCCN1 OR308181 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.6 CC(C)[C@H]1COCCN1 OR308182 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.24 CC1(C)CCOC1C=O OR480285 [0,1,0,1,0,0|0,0,0]=2 88 B9R1.85 O=C(O)CCNC1CC1 OR471206 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.35 O=C1OCC(C(F)F)O1 PC53262 [0,1,0,1,0,0|2,0,0]=4 90 B9R2.39 O=C1OC2CCC1C2 OR55326 [0,0,0,2,0,0|2,0,0]=4 91 B9R2.84 O=C=NC12CC(C1)C2 OR300174 [0,0,0,2,0,0|1,0,1]=4