0 B8R0.28 CC(=O)OCC=C(F)F PC8369 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.28 CC(C)CCCC(=O)O OR2382 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.28 CC(C)CCOC(=O)Cl OR471322 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.28 CN(C)C\C=C\C(=O)O OR471113 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC(=O)CCCCCl OR10952 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCCCC=C(F)F PC5675 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CCCCCC(C)=O OR10122 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCC[C@@H](C)O OR304043 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 CCCCC[C@H](C)O OR304044 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 CCC\C=C\C(=O)O OR301183 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCNCCN(C)C OR200108 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 COCCCN(C)C OR24103 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CSCCCC(=O)O OR307008 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 NCCCCC(=O)O OR24917 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.56 CC(=O)OCC[B-](F)(F)F PC56180 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.35 O=C1OCC(C(F)F)O1 PC53262 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.49 CN1CCCC(=O)CC1 OR350265 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 OR317294 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.85 O=C(O)CCNC1CC1 OR471206 [0,0,0,1,0,0|3,0,0]=4 19 B7R0.6 CC(=O)CCC(C)C OR10031 [0,0,0,0,1,0|0,0,0]=1 20 B7R0.6 CC(=O)OCC(F)F PC2808 [0,0,0,0,1,0|2,0,0]=3 21 B7R0.6 CC(C)CCC(=N)N OR322496 [0,0,0,0,1,0|2,0,0]=3 22 B7R0.6 CC(N)CCC(=O)O OR53204 [0,0,0,0,1,0|2,0,0]=3 23 B7R0.6 CN(C)CCC(=O)O OR322402 [0,0,0,0,1,0|2,0,0]=3 24 B7R0.6 O=C(Cl)OCC(F)F PC450490 [0,0,0,0,1,0|3,0,0]=4 25 B9R0.55 CC(=N)NCCCN(C)C OR23769 [0,0,0,0,0,1|3,0,0]=4 26 B9R0.55 CC(=O)NCCCN(C)C OR471086 [0,0,0,0,0,1|2,0,0]=3 27 B9R0.55 CC(C)CCCCC(=O)Cl OR53088 [0,0,0,0,0,1|2,0,0]=3 28 B6R0.4 C=CCC[C@H](C)O OR304053 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CC(=O)OCC=O OR30432 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(C)CCCCl OR22928 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CCCCC(=N)N OR470546 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 CCCCC(C)O OR10018 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 CCCC[C@@H](C)N OR315266 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 CCCC[C@@H](C)O OR304041 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.4 CCCC[C@H](C)N OR315267 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.4 CCNCC(=O)O OR322207 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 COCCC(=O)O OR315601 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.6 CCOCCCO OR0975 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.5 CCCC(N)CC(=O)O OR307567 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.6 C=CC(=O)OCCCF PC450530 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.6 CCCCOC(=O)CF PC1611G [1,1,0,0,0,0|0,0,0]=2 42 B8R0.6 COC(=O)OCCCF PC450398 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.7 CCCCOCC(=O)O OR470003 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.7 NC(=O)CCCCCBr OR322129 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.7 O=C(O)CCCCCI OR183411 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.9 CC(=O)OCC(O)CCl OR302162 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.9 CCC(C)COC(=O)Cl OR471440 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.9 CCC(Cl)CCC(=O)Cl OR470809 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.21 CS(=O)(=O)OCCCF PC9175 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.23 CC(C)C[C@H](F)C(=O)O PC6852 [0,1,0,0,1,0|1,0,0]=3 51 B8R0.29 CC(=O)CCC(F)(F)F PC450286 [0,1,0,0,1,0|2,0,0]=4 52 B8R0.29 CC(=O)OCC(F)(F)F PC7315 [0,1,0,0,1,0|2,0,0]=4 53 B8R0.29 CC(C)(N)CCC(=O)O OR53210 [0,1,0,0,1,0|1,0,0]=3 54 B8R0.29 CC(C)(S)CCC(=O)O OR323129 [0,1,0,0,1,0|1,0,0]=3 55 B10R0.12 CC(=O)OCC(Br)C(F)(F)F PC6832 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.1 C=C[C@H]1COC(=O)C1 OR315211 [1,0,0,1,0,0|0,0,2]=4 57 B8R1.1 O=C1NC(CO)CO1 OR471489 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 CC1CC(O)CCO1 OR321472 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.4 CN1CCNC(=O)C1 OR309137 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.7 NC(=O)N1CCCC1 OR302521 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.22 O=C1CCCCSC1 OR8959 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.34 CC(=O)CC1COC1 OR302357 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.34 CC(=O)NC1CNC1 OR309007 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.72 CC1(C)CCCNC1 OR480206 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.72 CC1(O)CCOCC1 OR451221 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.72 O=S1(=O)CCCCO1 OR350023 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.3 C=C1CCC(C)CC1 OR311182 [0,0,0,1,1,0|1,0,0]=3 68 B8R1.3 CC1CCC(O)CC1 OR10029 [0,0,0,1,1,0|0,0,2]=4 69 B8R1.3 O=C1CCC(F)CC1 PC409038 [0,0,0,1,1,0|1,0,0]=3 70 B8R1.23 CC(=O)N1CC(O)C1 OR451031 [0,0,0,1,1,0|2,0,0]=4 71 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 OR317068 [0,0,0,1,1,0|1,0,0]=3 72 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 OR317069 [0,0,0,1,1,0|1,0,0]=3 73 B8R1.23 NC1CC(C(=O)O)C1 OR322763 [0,0,0,1,1,0|2,0,0]=4 74 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR317054 [0,0,0,1,1,0|2,0,0]=4 75 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 OR317055 [0,0,0,1,1,0|2,0,0]=4 76 B8R1.23 O=C(O)C1CC(F)C1 PC405004 [0,0,0,1,1,0|2,0,0]=4 77 B8R1.23 O=C(O)C1CC(O)C1 OR308101 [0,0,0,1,1,0|2,0,0]=4 78 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 OR317124 [0,0,0,1,1,0|2,0,0]=4 79 B8R1.23 O=C1CC(C(F)F)C1 PC56281 [0,0,0,1,1,0|2,0,0]=4 80 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 OR315273 [0,0,0,1,0,1|1,0,1]=4 81 B10R1.54 CC(C)C[C@H]1COC(=O)N1 OR471431 [0,0,0,1,0,1|1,0,0]=3 82 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 OR55190 [0,0,0,1,0,1|2,0,0]=4 83 B10R1.13 CC(=O)N1CCC(O)CC1 OR460011 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.13 CC(C)N1CCC(=O)CC1 OR9064 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.13 CC1CCC(C(=O)O)CC1 OR307149 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.13 CC1CCC(C(N)=O)CN1 OR302405 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 OR307147 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 OR471452 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 OR52665 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.194 CC(C)[C@H]1COC(=O)N1N OR55402 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O OR317299 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 OR30087 [0,1,0,1,0,0|1,0,1]=4 93 B6R0.2 CC(=O)OC(C)Cl OR311234 [0,0,0,0,2,0|1,0,0]=3 94 B6R0.2 CC(C)C[C@@H](C)O OR304054 [0,0,0,0,2,0|0,0,2]=4 95 B6R0.2 CC(C)C[C@H](C)O OR304055 [0,0,0,0,2,0|0,0,2]=4 96 B6R0.2 CC(C)NC(N)=O OR54393 [0,0,0,0,2,0|2,0,0]=4 97 B6R0.2 CC(O)CC(=O)[O-] OR28800 [0,0,0,0,2,0|2,0,0]=4