0 B5R0.4 CCC(C)(C)O 21405 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.4 CNS(C)(=O)=O 23217 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.4 COS(=O)(=O)F 35888 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.4 CSS(C)(=O)=O 14140 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.4 NCP(=O)(O)O 44877 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.4 NOS(=O)(=O)O 22758 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.4 O=S(=O)(Cl)CCl 12506 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.4 O=S(=O)([O-])CO 12961 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C#CC(=O)O 23201 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C=CC(=O)O 21090 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CCB(O)O 7960 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CCC(C)O 6718 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CCC([NH-])=O 10938 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CCS(=O)[O-] 24643 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC[C@@H](C)O 6717 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 COC(C)=N 2122 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 COC(Cl)Cl 2376 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 NCC(=O)O 18924 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 O=C(O)CBr 13144 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 O=CC(=O)O 19965 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.3 CC(C)(C)O 3012 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.3 CC(O)(O)O 21654 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.3 CP(=O)(Cl)Cl 25538 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.3 CS(=O)(=O)Cl 1917 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.3 CS(=O)(=O)O 11149 [1,0,0,0,0,0|0,0,0]=1 25 B4R0.3 CS(=O)(=O)[O-] 11154 [1,0,0,0,0,0|0,0,1]=2 26 B4R0.3 CS(=O)(=O)[O-] 2058 [1,0,0,0,0,0|0,0,1]=2 27 B4R0.3 C[Si](C)(C)O 26363 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.3 NS(=O)(=O)Cl 21857 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.3 O=I(=O)(=O)O 10330 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.3 O=I(=O)(=O)[O-] 21354 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.3 O=S(=O)(Cl)Cl 25435 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.3 O=S(=O)(O)O 15719 [1,0,0,0,0,0|0,0,0]=1 33 B4R0.3 O=S(=O)(O)O 23245 [1,0,0,0,0,0|0,0,0]=1 34 B4R0.3 O=S(=O)(O)O 27282 [1,0,0,0,0,0|0,0,0]=1 35 B4R0.3 O=S(=O)(O)O 35641 [1,0,0,0,0,0|0,0,0]=1 36 B4R0.3 O=S(=O)([O-])[O-] 31942 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.3 O=S(=O)([O-])[O-] 31944 [1,0,0,0,0,0|0,0,2]=3 38 B4R0.3 O[Si](O)(O)O 23349 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.5 CCCP(=O)(O)O 35052 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.5 CCCS(=O)(=O)Cl 24570 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.5 CS(=O)(=O)CC#N 28956 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.5 CS(=O)(=O)CCN 35369 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.5 C\C=C\P(=O)(O)O 36014 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.5 C\C=C\P(=O)(O)O 36015 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.5 NCCP(=O)(O)O 24873 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.5 NCCP(=O)(O)O 24874 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.5 NCCS(=O)(=O)O 18250 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.5 NCCS(=O)(=O)[O-] 35035 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.5 O=C=NS(=O)(=O)Cl 18627 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.5 O=S(=O)(Cl)OCCl 21636 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.7 CC(C)S(=O)(=O)Cl 31414 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.7 CC(C)S(N)(=O)=O 16612 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.7 CN(C)S(N)(=O)=O 21815 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.7 C[C@H](N)P(=O)(O)O 12450 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.7 O=S(=O)(Cl)C(F)F 25211 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.8 C=CS(=O)(=O)NC 11258 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.8 COC(C)(C)OC 9768 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.8 COP(=O)(Cl)OC 19321 [0,1,0,0,0,0|2,0,0]=3 59 B6R1.10 O=S1(=O)CCC1 25943 [0,0,0,1,0,0|2,0,0]=3 60 B3R0.1 CNC=O 35283 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 CNOC 25934 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 COCBr 23167 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.2 CB(O)O 6018 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.2 CC(=O)Cl 17265 [2,0,0,0,0,0|2,0,0]=4 65 B3R0.2 CC(=O)O 22173 [2,0,0,0,0,0|1,0,0]=3 66 B3R0.2 CC(=O)[O-] 10966 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 CC(=O)[O-] 18178 [2,0,0,0,0,0|1,0,1]=4 68 B3R0.2 CC(=O)[O-] 26340 [2,0,0,0,0,0|1,0,1]=4 69 B3R0.2 CC(=O)[O-] 3997 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.2 CC(O)=S 28961 [2,0,0,0,0,0|1,1,0]=4 71 B3R0.2 CS(=O)[O-] 28957 [2,0,0,0,0,0|0,0,2]=4 72 B3R0.2 CS(C)=O 44865 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 C[PH](C)=O 29395 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.2 O=C([O-])O 23592 [2,0,0,0,0,0|1,0,1]=4 75 B3R0.2 O=I(=O)[O-] 23596 [2,0,0,0,0,0|1,0,1]=4 76 B3R0.2 O=I(=O)[O-] 35037 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.2 O=[Os](=O)=O 29022 [2,0,0,0,0,0|1,0,1]=4 78 B3R0.2 OB(O)O 10918 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CC#CC(=O)O 16226 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.1 CNCC(=O)O 10995 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 COCC(C)O 1904 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.1 COC[C@@H](C)O 6714 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.1 COC[C@H](C)O 6715 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.1 NCCC(=O)O 10996 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 O=C(O)CCCl 13689 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 O=C(O)CCO 12598 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.1 O=C(O)CCS 36422 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.3 C#CC(=O)OC 13736 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.3 COC(=O)CN 10899 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.3 COC(=O)CS 10788 [1,1,0,0,0,0|1,1,0]=4 91 B5R0.3 COC(=O)NN 17404 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.3 CO[C@@H](C)CO 26646 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.5 CC(=O)C(=O)O 18177 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.5 CC(Cl)C(=O)O 5746 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.5 CC(F)C(=O)O 13698 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.5 CC(N)C(=O)O 11009 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.5 CC(O)C(=O)O 30331 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.5 C[C@@H](Br)C(=O)O 26125 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.5 C[C@@H](Cl)C(=O)O 5747 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.5 C[C@@H](N)C(=O)O 11002 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.5 C[C@@H](O)C(=O)O 16738 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.5 C[C@H](Br)C(=O)O 8278 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.5 C[C@H](N)C(=O)O 12862 [1,1,0,0,0,0|2,0,0]=4 104 B5R0.5 C[C@H](O)C(=O)O 26021 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.8 CCCCS(=O)(=O)[O-] 25545 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.8 COCCS(=O)(=O)Cl 18905 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.8 NCCCS(=O)(=O)O 18251 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.8 NCCOP(=O)(O)O 44756 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.8 O=S(=O)(Cl)CCCF 26227 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.9 CC(C)CS(=O)(=O)Cl 31413 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.9 O=C(O)CS(=O)(=O)O 13769 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.17 CC(C)(C)S(N)(=O)=O 21719 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.17 O=S(=O)(O)C(F)(F)F 32257 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.17 O=S(=O)(O)C(F)(F)F 6514 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.18 COP(=O)(OC)OC 29412 [0,2,0,0,0,0|1,0,1]=4 116 B5R1.2 O=C1CCO1 2546 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.14 O=S1(=O)CCCC1 35244 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.14 O=S1(=O)CCCN1 23887 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.14 O=S1(=O)CCCO1 25432 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.14 O=S1(=O)OCCO1 1902 [0,1,0,1,0,0|0,0,0]=2 121 B7R1.16 O=S1(=O)CC(Br)C1 25941 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.16 O=S1(=O)CC(Cl)C1 25940 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.26 O=S(=O)(Cl)C1CC1 10869 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.26 [NH-]S(=O)(=O)C1CC1 10872 [0,1,0,1,0,0|2,0,0]=4