0 B6R0.3 CC(C)C(N)CO 323960 [0,0,0,0,0,0|2,1,1]=4 1 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.3 CC(C)[C@H](N)CO M03447 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.3 CC(CN)C(=O)O 226386 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CCC(=O)C(C)=O 464570 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CCC(Br)C(=O)Br 241269 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CCC(Br)C(=O)O 242857 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CCC(C)B(O)O 208610 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CCC(C)C(=O)Cl 102938 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CCC(C)C(=O)O 155900 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CCC(C)C(C)O 103328 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CCC(C)C(N)=O 102996 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 CCC(N)C(=O)O M01290 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CNC(=O)C(=O)O 023479 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CNC(C)C(=O)O 075290 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,0,0,0,0,0|1,1,0]=2 22 B6R0.3 NC(CO)C(=O)O 093750 [0,0,0,0,0,0|0,1,0]=1 23 B6R0.3 NC(CS)C(=O)O 241173 [0,0,0,0,0,0|0,0,0]=0 24 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,0,0,0,0,0|0,1,0]=1 26 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,0,0,0,0,0|0,0,0]=0 27 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,0,0,0,0,0|0,0,0]=0 28 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,0,0,0,0,0|0,0,0]=0 30 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,0,0,0,0,0|0,1,0]=1 31 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,0,0,0,0,0|0,0,0]=0 32 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,0,0,0,0,0|0,0,0]=0 33 B6R0.3 O=C(O)C(Br)CBr 077984 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.3 O=C(O)C(O)CO 143500 [0,0,0,0,0,0|1,1,0]=2 35 B5R0.1 C=C(C)CCBr 223736 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 C=C(C)CCO 358461 [1,0,0,0,0,0|2,1,0]=4 37 B5R0.1 CC#CC(=O)O 009075 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(=O)CCCl 069833 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(=O)CCO 358442 [1,0,0,0,0,0|1,1,0]=3 40 B5R0.1 CC(=O)NCO 430081 [1,0,0,0,0,0|2,1,0]=4 41 B5R0.1 CC(C)CCS 358459 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(O)CCO 099380 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.1 CCCB(O)O 092177 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CCCC(=O)Cl 098879 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCC(=O)O 102473 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CCCC(C)O 099024 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CCCC(N)=O 356018 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 CCC[C@H](C)O 036089 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CCC[N+](=O)[O-] 520877 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 CCOC(=O)Cl 099901 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 CCOC(C)=O 035909 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CCOC(C)=O 099553 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 CCOC(C)=O 099895 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 CCOC(N)=O 099367 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CN(C)CCS 450419 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CNCC(=O)O 095119 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 COCC(=O)Cl 053542 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 COCC(=O)O 237785 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 COCC(C)=O 002450 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CSCC(=O)O 010416 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.1 CSCC(N)=O 092321 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 C[C@@H](O)CCO 041923 [1,0,0,0,0,0|1,1,1]=4 63 B5R0.1 C[C@H](O)CCO 041922 [1,0,0,0,0,0|1,1,1]=4 64 B5R0.1 C\C=C\C(=O)O 092792 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.1 N#CCC(=O)O 098058 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 N#CCC(N)=O 094603 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 NC(=O)CCBr 456436 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 NC(=O)CCCl 180018 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 NCCC(=O)O 044720 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 NCCC(N)=O 221578 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.1 NOCC(=O)O 222804 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 O=C(Cl)CCBr 104627 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 O=C(Cl)CCCl 095162 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 O=C(Cl)OCCl 320123 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.1 O=C(O)CCBr 003025 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.1 O=C(O)CCCl 242740 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.1 O=C(O)CCI 003069 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.1 O=C(O)CCO 147100 [1,0,0,0,0,0|0,1,0]=2 79 B5R0.1 O=C(O)CCS 094485 [1,0,0,0,0,0|0,0,0]=1 80 B5R0.1 O=[N+]([O-])CCO 358303 [1,0,0,0,0,0|1,1,1]=4 81 B5R0.3 C=CC(O)CC 464567 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.3 C=CC(O)CO 099464 [1,0,0,0,0,0|2,1,0]=4 83 B5R0.3 CC(CO)CO 242900 [1,0,0,0,0,0|1,1,1]=4 84 B5R0.3 CCC(C)C=O 103622 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.3 CCC(C)CO 358145 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 CCC(N)CC 094499 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 CCC(N)CO 091481 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.3 CC[C@@H](N)CO 012703 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.3 CC[C@H](C)CO 473128 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 CC[C@H](N)CO 012704 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.3 NC(CO)CO 043594 [1,0,0,0,0,0|0,1,1]=3 92 B5R0.3 NCC(O)CO 093744 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 NC[C@@H](O)CO 036807 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.3 O=CC(Br)C=O 078260 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.3 OCC(O)CCl 242924 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 OCC(O)CO 094580 [1,0,0,0,0,0|1,1,1]=4 97 B5R0.3 OCC(O)CO 102072 [1,0,0,0,0,0|1,1,1]=4 98 B5R0.3 OCC(O)CO 104202 [1,0,0,0,0,0|1,1,1]=4 99 B5R0.3 OCC(O)CS 104512 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.3 OC[C@@H](O)CCl 079187 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.5 C=C(C)C(=O)Cl 152770 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.5 C=C(C)C(=O)O 098014 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.5 C=C(C)C(C)=O 155400 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.5 C=C(C)C(N)=O 098987 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.5 CC(=O)C(=O)O 168700 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.5 CC(=O)C(C)=O 099488 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.5 CC(=O)C(C)C 098965 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.5 CC(=O)C(C)Cl 520345 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.5 CC(=O)C(C)O 449308 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.5 CC(=O)C(F)F 025165 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.5 CC(=O)N(C)C 044923 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.5 CC(=O)N(C)C 103880 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.5 CC(=O)N(C)C 105121 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.5 CC(Br)C(=O)Br BR1124 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.5 CC(Br)C(=O)O BR1120 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.5 CC(Br)C(N)=O 222852 [1,0,0,0,0,0|2,0,0]=3 119 B5R0.5 CC(C)B(O)O 065614 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.5 CC(C)C(=N)N 017191 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.5 CC(C)C(=O)Cl 005019 [1,0,0,0,0,0|2,0,0]=3 122 B5R0.5 CC(C)C(=O)O 099395 [1,0,0,0,0,0|1,0,0]=2 123 B5R0.5 CC(C)C(N)=O 091536 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.5 CC(C)S(=O)[O-] 035599 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.5 CC(Cl)C(=O)O 240303 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.5 CC(Cl)C(N)=O 369655 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.5 CC(F)C(=O)O 024847 [1,0,0,0,0,0|1,0,0]=2 130 B5R0.5 CC(N)C(=O)O 094978 [1,0,0,0,0,0|0,0,0]=1 131 B5R0.5 CC(O)C(=O)O 995229 [1,0,0,0,0,0|1,0,0]=2 132 B5R0.5 CC(O)C(=O)[O-] 492494 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.5 CC(O)C(N)=O 341750 [1,0,0,0,0,0|2,0,0]=3 134 B5R0.5 CC(S)C(=O)O 520330 [1,0,0,0,0,0|1,0,0]=2 135 B5R0.5 CN(C)C(=O)Cl 051099 [1,0,0,0,0,0|3,0,0]=4 136 B5R0.5 CN(C)C(N)=O 342088 [1,0,0,0,0,0|3,0,0]=4 137 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,0,0,0,0,0|1,0,0]=2 138 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,0,0,0,0,0|0,0,0]=1 139 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,0,0,0,0,0|2,0,0]=3 143 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,0,0,0,0,0|1,0,0]=2 145 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,0,0,0,0,0|1,0,0]=2 146 B5R0.5 C[C@H](N)C(=O)O 080323 [1,0,0,0,0,0|0,0,0]=1 147 B5R0.5 C[C@H](N)C(N)=O 092189 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.5 C[C@H](O)C(=O)O 103316 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.5 N=C(N)S(=O)O 358143 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.5 NC(=O)C(=O)O 240454 [1,0,0,0,0,0|0,1,1]=3 154 B5R0.5 NC(=O)C(F)Cl 038384 [1,0,0,0,0,0|3,0,0]=4 155 B5R0.5 NC(=O)C(F)F 033531 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.5 NC(=O)C(N)=O 494123 [1,0,0,0,0,0|1,1,1]=4 157 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [1,0,0,0,0,0|3,0,0]=4 158 B5R0.5 O=C(O)C(=O)O 094439 [1,0,0,0,0,0|1,1,1]=4 159 B5R0.5 O=C(O)C(=O)O 099499 [1,0,0,0,0,0|1,1,1]=4 160 B5R0.5 O=C(O)C(=O)O 099742 [1,0,0,0,0,0|1,1,1]=4 161 B5R0.5 O=C(O)C(=O)O 099890 [1,0,0,0,0,0|1,1,1]=4 162 B5R0.5 O=C(O)C(=O)O 242472 [1,0,0,0,0,0|1,1,1]=4 163 B5R0.5 O=C(O)C(=O)O 360255 [1,0,0,0,0,0|1,1,1]=4 164 B5R0.5 O=C(O)C(=O)O 492395 [1,0,0,0,0,0|1,1,1]=4 165 B5R0.5 O=C(O)C(Br)Br 103029 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.5 O=C(O)C(Cl)Cl 095059 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.5 O=C(O)C(F)F 001231 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.5 O=C(O)C(F)F 019092 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.5 O=C(O)C(O)O 143700 [1,0,0,0,0,0|1,1,0]=3 170 B5R0.5 O=C([O-])C(Cl)Cl 462644 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.5 O=C([O-])C(F)F 010327 [1,0,0,0,0,0|2,0,1]=4 172 B7R0.5 C=CCC(C)C(=O)O 239804 [0,1,0,0,0,0|2,0,0]=3 173 B7R0.5 C=CC[C@@H](N)C(=O)O 218874 [0,1,0,0,0,0|1,0,0]=2 174 B7R0.5 C=CC[C@H](N)C(=O)O 062238 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.5 CC(NC=O)C(=O)O 329655 [0,1,0,0,0,0|1,1,1]=4 176 B7R0.5 CCCC(Br)C(=O)O 114500 [0,1,0,0,0,0|2,0,0]=3 177 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.5 CCCC(C)C(=O)O 239960 [0,1,0,0,0,0|2,0,0]=3 179 B7R0.5 CCCC(C)C(N)=O 103248 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.5 CCCC(N)C(=O)O 044733 [0,1,0,0,0,0|1,0,0]=2 181 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,1,0,0,0,0|1,0,0]=2 183 B7R0.5 CC\C=C(/C)C(=O)O 002778 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.5 CC\C=C(/C)C(=O)O 102663 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,1,0,0,0,0|0,1,0]=2 186 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,1,0,0,0,0|0,1,0]=2 187 B7R0.5 CSC[C@H](N)C(=O)O 045340 [0,1,0,0,0,0|0,0,0]=1 188 B7R0.5 NCC[C@H](N)C(=O)O 493318 [0,1,0,0,0,0|1,0,0]=2 189 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,1,0,0,0,0|0,1,0]=2 191 B7R0.10 C=C(CBr)C(=O)OC 092639 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.10 C=C(CO)C(=O)OC 092849 [0,1,0,0,0,0|1,1,1]=4 193 B7R0.10 CCC(Br)C(=O)OC 006777 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.10 CCC(C)C(=O)NC 102997 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.10 CCC(C)C(=O)OC 035885 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.10 CCC(N)C(=O)OC 241817 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.10 COC(=O)C(=O)CBr 214615 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [0,1,0,0,0,0|1,0,0]=2 200 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,1,0,0,0,0|0,1,0]=2 201 B7R0.10 COC(=O)[C@@H](N)CS 045338 [0,1,0,0,0,0|0,0,0]=1 202 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,1,0,0,0,0|1,1,0]=3 203 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,1,0,0,0,0|0,1,0]=2 205 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,1,0,0,0,0|1,1,1]=4 206 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,1,0,0,0,0|1,1,1]=4 207 B7R0.13 CC(C)(CBr)C(=O)F 102113 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.13 CC(C)(CBr)C(=O)O 094021 [0,1,0,0,0,0|2,0,0]=3 209 B7R0.13 CC(C)(CBr)C(N)=O 102689 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.13 CC(C)(CCl)C(=O)Cl 099578 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.13 CC(C)(CCl)C(=O)O 105948 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.13 CC(C)(CO)C(=O)O 147000 [0,1,0,0,0,0|1,1,0]=3 213 B7R0.13 CCC(C)(C)C(=O)O 035602 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.13 CCC(F)(F)C(=O)O 024845 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.13 CC[C@](C)(N)C(=O)O 208668 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.15 CCC(CC)C(=O)Cl 099324 [0,1,0,0,0,0|3,0,0]=4 218 B7R0.15 CCC(CC)C(=O)O 237870 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.15 CCC(CC)C(C)=O 046100 [0,1,0,0,0,0|3,0,0]=4 220 B7R0.15 CCC(CC)C(N)=O 103936 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.15 O=C(O)C(CBr)CBr 094009 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.16 CC(C(=O)O)C(=O)O 080319 [0,1,0,0,0,0|1,1,1]=4 223 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,1,0,0,0,0|1,0,0]=2 225 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,1,0,0,0,0|2,0,0]=3 226 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,1,0,0,0,0|1,0,0]=2 227 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,1,0,0,0,0|0,1,0]=2 231 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,1,0,0,0,0|0,1,0]=2 232 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,1,0,0,0,0|0,1,0]=2 233 B7R0.16 NC(=O)C(N)C(N)=O 038570 [0,1,0,0,0,0|1,1,1]=4 234 B7R1.4 CC1CCCC1=O 217631 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.4 CC1CCOC1=O 092467 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 NC1CCNC1=O 047644 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.4 NC1CCOC1=O 432676 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.4 N[C@H]1CCOC1=O 078519 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.4 O=C1NCCC1O 093757 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.18 CC(=O)C1CCC1 513334 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.18 NC(=O)C1CCC1 243268 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.18 O=C(Cl)C1CCC1 009110 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.18 O=C(O)C1CCC1 003366 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.18 O=C(O)C1CCN1 047646 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.18 O=C(O)C1CNC1 035210 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.18 O=C(O)C1CNC1 040102 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.19 NC(=O)C1(Br)CC1 244431 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.19 NC1(C(=O)O)CC1 043411 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.19 O=C(O)C1(Br)CC1 043233 [0,0,0,1,0,0|2,0,0]=3 251 B7R0.2 CCC(C)CC(=O)O 002768 [0,0,0,0,0,1|2,0,0]=3 252 B7R0.2 CCC(C)NC(C)=O 103813 [0,0,0,0,0,1|3,0,0]=4 253 B7R0.2 NCC(O)CC(=O)O 093269 [0,0,0,0,0,1|2,0,0]=3 254 B4R0.1 C#CC(=O)O 167900 [2,0,0,0,0,0|0,0,2]=4 255 B4R0.1 C=C(C)C=O 533380 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.1 C=C(C)CS 038481 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.1 C=CC(=O)O 099597 [2,0,0,0,0,0|0,0,2]=4 258 B4R0.1 C=CC(C)Cl 099655 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 C=CC(C)O 099331 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.1 CC(=O)C=O 069255 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CC(=O)CCl 099980 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC(=O)CN 078537 [2,0,0,0,0,0|1,0,0]=3 263 B4R0.1 CC(=O)CO 097598 [2,0,0,0,0,0|1,1,0]=4 264 B4R0.1 CC(=O)NN 049751 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 CC(C)C=O 094969 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.1 CC(C)C=O 102748 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CC(C)CO 098794 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 CC(C)CS 097785 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 CC(C)NO 049798 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 CC(N)CN 094789 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 CC(N)CO 092185 [2,0,0,0,0,0|0,0,1]=3 272 B4R0.1 CC(O)CBr 001137 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 CC(O)CN 099022 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC(O)CO 492646 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CCB(O)O 065613 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 CCC(=O)Br BR1194 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.1 CCC(=O)Cl 098881 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.1 CCC(=O)O 098214 [2,0,0,0,0,0|0,0,0]=2 279 B4R0.1 CCC(=O)O 104856 [2,0,0,0,0,0|0,0,0]=2 280 B4R0.1 CCC(=O)[O-] 105990 [2,0,0,0,0,0|0,0,1]=3 281 B4R0.1 CCC(=O)[O-] 106505 [2,0,0,0,0,0|0,0,1]=3 282 B4R0.1 CCC(C)=O 046806 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.1 CCC(C)=O 075238 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.1 CCC(C)=O 101973 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.1 CCC(C)=O 102570 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.1 CCC(C)N 094534 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.1 CCC(C)O 080268 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.1 CCC(N)=O 069325 [2,0,0,0,0,0|1,0,0]=3 289 B4R0.1 CCS(=O)[O-] 035597 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.1 CC[C@H](C)O 036066 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.1 CN(C)C=O 035911 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.1 CN(C)C=O 046776 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.1 CN(C)C=O 094267 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.1 CN(C)C=O 099894 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.1 CN(C)C=O 106424 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.1 CNC(=O)Cl 358405 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.1 CNC(C)=O 154700 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.1 CNC(N)=O 227727 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.1 COC(=O)Cl 099160 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.1 COC(C)=O 098761 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.1 COC(N)=O 080112 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.1 C[C@@H](N)CO M03439 [2,0,0,0,0,0|0,0,1]=3 303 B4R0.1 C[C@@H](O)CN 234011 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.1 C[C@@H](O)CO 166900 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.1 C[C@H](N)CO M03438 [2,0,0,0,0,0|0,0,1]=3 306 B4R0.1 C[C@H](O)CN 079460 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.1 C[C@H](O)CO 049743 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.1 C\C(N)=N\O 075417 [2,0,0,0,0,0|1,0,1]=4 309 B4R0.1 NC(=O)CBr 091505 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.1 NC(=O)CCl 079297 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.1 NC(=O)CI 001085 [2,0,0,0,0,0|1,0,1]=4 312 B4R0.1 NC(=O)CS 069297 [2,0,0,0,0,0|0,0,1]=3 313 B4R0.1 NCC(=O)O 105741 [2,0,0,0,0,0|0,0,0]=2 314 B4R0.1 NCC(=O)O 229198 [2,0,0,0,0,0|0,0,0]=2 315 B4R0.1 NCC(=O)O M03001 [2,0,0,0,0,0|0,0,0]=2 316 B4R0.1 NCC(=O)[O-] 240909 [2,0,0,0,0,0|0,0,1]=3 317 B4R0.1 NCC(N)=O 078516 [2,0,0,0,0,0|1,0,0]=3 318 B4R0.1 NNC(N)=O 242276 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.1 O=C(Br)CBr 004136 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.1 O=C(Cl)CBr 109400 [2,0,0,0,0,0|2,0,0]=4 321 B4R0.1 O=C(Cl)CCl 098899 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 O=C(Cl)CCl 099381 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 O=C(O)CBr 004135 [2,0,0,0,0,0|1,0,0]=3 324 B4R0.1 O=C(O)CCl 095375 [2,0,0,0,0,0|1,0,0]=3 325 B4R0.1 O=C(O)CI 520348 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.1 O=C(O)CO 058235 [2,0,0,0,0,0|0,1,0]=3 327 B4R0.1 O=C(O)CO 103022 [2,0,0,0,0,0|0,1,0]=3 328 B4R0.1 O=C(O)CS 097732 [2,0,0,0,0,0|0,0,0]=2 329 B4R0.1 O=C([O-])CCl 099322 [2,0,0,0,0,0|1,0,1]=4 330 B4R0.1 O=C([O-])CO 195404 [2,0,0,0,0,0|0,1,1]=4 331 B4R0.1 O=C([O-])CS 106508 [2,0,0,0,0,0|0,0,1]=3 332 B4R0.1 O=CC(=O)O 095359 [2,0,0,0,0,0|0,1,1]=4 333 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [2,0,0,0,0,0|0,0,0]=2 334 B4R0.2 C=CCCBr 010654 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.2 C=CCCCl 106339 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 C=CCCI 103032 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.2 C=CCCO 114900 [2,0,0,0,0,0|1,1,0]=4 338 B4R0.2 CCCC=O 094987 [2,0,0,0,0,0|1,0,0]=3 339 B4R0.2 CCCCO 035921 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.2 CCCCO 075156 [2,0,0,0,0,0|1,0,1]=4 341 B4R0.2 CCCCO 101601 [2,0,0,0,0,0|1,0,1]=4 342 B4R0.2 CCCCS 046727 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 CCNC=O 099258 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.2 CCOC=O 044728 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.2 NCCCO 099680 [2,0,0,0,0,0|1,0,1]=4 346 B4R0.2 OCCCBr 047460 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.2 OCCCCl 024840 [2,0,0,0,0,0|1,0,1]=4 348 B4R0.2 OCCCF 010306 [2,0,0,0,0,0|1,0,1]=4 349 B4R0.2 OCCCI 002583 [2,0,0,0,0,0|1,0,1]=4 350 B4R0.2 OCCCO 095066 [2,0,0,0,0,0|0,1,1]=4 351 B4R0.2 SCCCCl 099136 [2,0,0,0,0,0|1,0,1]=4 352 B4R0.2 SCCCS 101936 [2,0,0,0,0,0|0,1,1]=4 353 B6R0.1 C=CCC(=O)OC 513980 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.1 CCCC(=O)NN 018345 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.1 CCCC(=O)OC 358407 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.1 CCNC(=O)OC 104168 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.1 CCOC(=O)CO 227697 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.1 CNC(=O)CCBr 104783 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.1 CNCC(=O)OC M03234 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.1 COC(=O)CC#N 034870 [1,1,0,0,0,0|1,0,1]=4 361 B6R0.1 COC(=O)CCBr 216315 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.1 COC(=O)CCI 103108 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.1 COC(=O)CCN 032703 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.1 COC(=O)CCO 223297 [1,1,0,0,0,0|0,1,0]=3 365 B6R0.1 COC(=O)CCS 053164 [1,1,0,0,0,0|0,0,0]=2 366 B6R0.1 COC(=O)CSC 002978 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.1 COCC(=O)OC 358440 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.1 [C-]#[N+]CC(=O)OC 358364 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.2 CC(=O)CC(C)C 044985 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.2 CC(=O)CC(C)C 102383 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.2 CC(C)CC(=O)Cl 520885 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.2 CC(C)CC(=O)O 242835 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.2 CC(C)CC(N)=O 342138 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.2 CC(N)CC(=O)O 208617 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.2 CN(C)CC(=O)O 044353 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.2 CN(C)CC(=O)O 216339 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.2 C[C@@H](N)CC(=O)O 034436 [1,1,0,0,0,0|1,0,0]=3 378 B6R0.2 C[C@@H](N)CC(=O)O 078594 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.2 O=C(O)CC(=O)O 020000 [1,1,0,0,0,0|0,1,1]=4 380 B6R0.4 C#CCCC(=O)O 164204 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.4 C(CC)=CC(=O)O 001396 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.4 C=CCCC(=O)O 002777 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.4 C=CCCC(C)=O 358446 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.4 CC(=O)CCCCl 326218 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.4 CC(=O)CCCO 093373 [1,1,0,0,0,0|1,1,0]=4 386 B6R0.4 CC(=O)NCCN 226270 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.4 CC(=O)NCCO 094790 [1,1,0,0,0,0|1,1,0]=4 388 B6R0.4 CC(=O)NCCS 106473 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.4 CC(=O)OCCBr 024963 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.4 CC(=O)OCCO 046708 [1,1,0,0,0,0|1,1,0]=4 391 B6R0.4 CCC#CC(=O)O 164200 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.4 CCCCC(=O)Cl 099590 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.4 CCCCC(=O)O 066625 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.4 CCCCC(C)=O 098350 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.4 CCCCC(N)=O 176500 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.4 CCCNC(C)=O 099232 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.4 CCCOC(C)=O 104128 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.4 CCOCC(=O)O 461062 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.4 CCSCC(=O)O 001760 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.4 COCCC(=O)Cl 014676 [1,1,0,0,0,0|1,1,0]=4 401 B6R0.4 COCCC(=O)O 091199 [1,1,0,0,0,0|0,1,0]=3 402 B6R0.4 COCCC(N)=O 091205 [1,1,0,0,0,0|1,1,0]=4 403 B6R0.4 CSCCC(=O)O 013666 [1,1,0,0,0,0|0,0,0]=2 404 B6R0.4 NC(=O)NCCO 319865 [1,1,0,0,0,0|1,1,0]=4 405 B6R0.4 NC(=O)OCCCl 103494 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.4 NCCCC(=O)O 005047 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.4 NCCNC(N)=O 033079 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.4 O=C(Cl)CCCBr 001349 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.4 O=C(Cl)CCCCl 099540 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.4 O=C(O)CCCBr 043390 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.4 O=C([O-])CNCO 226097 [1,1,0,0,0,0|0,1,1]=4 412 B6R0.4 O=CCCC(=O)O 103323 [1,1,0,0,0,0|0,1,0]=3 413 B6R0.5 CCCP(=O)(O)O 102644 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.5 NCCP(=O)(O)O 240267 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.5 NCCS(=O)(=O)O 094516 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.5 O=S(=O)([O-])CCS 036581 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.8 CC(N)(CO)CO 098943 [1,1,0,0,0,0|0,1,1]=4 418 B6R0.8 O=CC(Br)(Br)CBr 239010 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.9 CCC(C=O)CC 245909 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.7 CC(=O)C(C)(C)C 003453 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.7 CC(=O)C(C)(C)O 092081 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.7 CC(C)(Br)C(=O)Br 098961 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.7 CC(C)(Br)C(=O)O 075177 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.7 CC(C)(Br)C(N)=O 323860 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.7 CC(C)(C)C(=O)Cl 080298 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.7 CC(C)(C)C(=O)O 218406 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.7 CC(C)(C)C(=O)[O-] 053854 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.7 CC(C)(C)C(N)=O 093938 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.7 CC(C)(F)C(=O)O 013150 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.7 CC(C)(F)C(N)=O 062794 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.7 CC(C)(N)C(=O)O 078899 [1,1,0,0,0,0|0,0,0]=2 432 B6R0.7 CC(C)(O)C(=O)O 214584 [1,1,0,0,0,0|1,0,0]=3 433 B6R0.7 CC(F)(F)C(=O)O 010408 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.7 CC(F)(F)C(N)=O 037202 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.7 O=C(O)C(Br)(Br)Br 235698 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.7 O=C(O)C(Cl)(Cl)Cl 005004 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.7 O=C(O)C(F)(Br)Br 034752 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.7 O=C(O)C(F)(F)Br 024408 [1,1,0,0,0,0|2,0,0]=4 439 B6R0.7 O=C(O)C(F)(F)Cl 003151 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.7 O=C(O)C(F)(F)F 001271 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.7 O=C(O)C(F)(F)F 001271 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.7 O=C(O)C(F)(F)F 001271 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.7 O=C(O)C(F)(F)F 008708 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.7 O=C(O)C(F)(F)F 019093 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.7 O=C(O)C(F)(F)F 101562 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.7 O=C(O)C(F)(F)F 102164 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.7 O=C(O)C(F)(F)F 102438 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.7 O=C(O)C(F)(F)F 105899 [1,1,0,0,0,0|2,0,0]=4 449 B8R0.2 CCC(C)C(N)C(=O)O 390253 [0,1,0,0,0,1|2,0,0]=4 450 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O M03002 [0,1,0,0,0,1|2,0,0]=4 451 B8R0.19 CCC(C)CC(=O)OC 097640 [0,1,0,0,0,1|2,0,0]=4 452 B8R0.23 NC(CC(=O)O)C(=O)O 237050 [0,1,0,0,0,1|0,1,1]=4 453 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 102085 [0,1,0,0,0,1|0,1,1]=4 454 B8R0.23 N[C@@H](CC(=O)O)C(=O)O M03000 [0,1,0,0,0,1|0,1,1]=4 455 B8R0.23 N[C@H](CC(=O)O)C(=O)O 040077 [0,1,0,0,0,1|0,1,1]=4 456 B8R0.34 CCC(C)(O)CC(=O)O 103052 [0,1,0,0,0,1|2,0,0]=4 457 B8R0.3 CCCC(Br)C(=O)OC 099965 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.3 CCCC(C)C(=O)OC 102877 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.3 CCOC(=O)C(Br)CBr 044874 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.3 CCOC(=O)C(Br)CC 008678 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.3 CCOC(=O)C(C)CC 099207 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.3 CCOC(=O)[C@@H](N)CS M03085 [0,2,0,0,0,0|0,0,0]=2 463 B8R0.3 COC(=O)C(Br)CCBr 044197 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.3 [C@H](N)(CO)C(=O)OCC 222175 [0,2,0,0,0,0|0,1,0]=3 465 B8R0.8 CCCCC(Br)C(=O)O 004238 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.8 CCCCC(C)C(=O)O 038355 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.8 CCCCC(N)C(=O)O 045400 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.8 CCCCC(O)C(=O)O 013596 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.8 CCCC[C@@H](N)C(=O)O 236958 [0,2,0,0,0,0|1,0,0]=3 470 B8R0.8 CCCC[C@H](N)C(=O)O M03242 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.8 CSCCC(N)C(=O)O 209039 [0,2,0,0,0,0|0,0,0]=2 472 B8R0.8 CSCC[C@H](N)C(=O)O M02939 [0,2,0,0,0,0|0,0,0]=2 473 B8R0.8 CSCC[C@H](N)C(=O)O M02945 [0,2,0,0,0,0|0,0,0]=2 474 B8R0.8 NCCCC(N)C(=O)O 364183 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.12 C=CCC(C)(C)C(=O)O 066645 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.13 COC(=O)C(C)(C)CN 233971 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.13 COC(=O)C(C)(C)CO 050399 [0,2,0,0,0,0|1,1,0]=4 478 B8R0.13 COC(=O)C(F)(F)CBr 099825 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.36 CC(CO)(CO)C(=O)O 241292 [0,2,0,0,0,0|1,1,0]=4 480 B8R0.37 C(F)(F)C(F)(F)C(=O)O 007374 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 040071 [0,2,0,0,0,0|1,0,0]=3 482 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 044734 [0,2,0,0,0,0|1,0,0]=3 483 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O M06142 [0,2,0,0,0,0|0,0,0]=2 484 B8R0.27 NC(C(=O)O)C(F)(F)F 009353 [0,2,0,0,0,0|1,0,0]=3 485 B8R0.27 O=C(O)C(F)C(F)(F)F 010543 [0,2,0,0,0,0|2,0,0]=4 486 B6R1.2 O=C1C=CCC1 049816 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.2 O=C1CCCC1 044205 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.2 O=C1CCCN1 095374 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.2 O=C1CCCN1 098215 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.2 O=C1CCNC1 078709 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.2 O=C1CCNN1 092652 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.2 O=C1CCOC1 076836 [1,0,0,1,0,0|1,1,0]=4 493 B6R1.2 O=C1CCSC1 214765 [1,0,0,1,0,0|1,0,0]=3 494 B6R1.2 O=C1CS[Ca]O1 095807 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.2 O=C1NCCO1 216566 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.2 O=C1OCCO1 094510 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.11 CC(=O)C1CC1 005112 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.11 NC(=O)C1CC1 079247 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.11 O=C(Cl)C1CC1 066721 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.11 O=C(O)C1CC1 009113 [1,0,0,1,0,0|1,0,0]=3 501 B8R1.1 O=C1OCC(CO)O1 521458 [0,0,0,1,0,1|1,1,0]=4 502 B8R1.5 NC1CCCNC1=O 075567 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.7 NC(=O)[C@@H]1CCCN1 011847 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.7 NC(=O)[C@@H]1CCCN1 240702 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.7 NC(=O)[C@H]1CCCN1 011848 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.7 NC(=O)[C@H]1CCCN1 M02958 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.7 O=C(O)C1CC=CC1 011660 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.7 O=C(O)C1CCCC1 094575 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.7 O=C(O)C1CCCN1 M02942 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.7 O=C(O)C1CCCO1 225736 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.7 O=C(O)C1CCNC1 093908 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.7 O=C(O)C1CCOC1 034484 [0,1,0,1,0,0|1,1,0]=4 513 B8R1.7 O=C(O)C1NCCS1 005324 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.7 O=C(O)[C@@H]1CCCN1 M02947 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.7 O=C(O)[C@@H]1CCCO1 093764 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.7 O=C(O)[C@@H]1CCNC1 093911 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.7 O=C(O)[C@@H]1CSCN1 036413 [0,1,0,1,0,0|0,0,0]=2 518 B8R1.7 O=C(O)[C@H]1CCCN1 011849 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.7 O=C(O)[C@H]1CSCN1 226021 [0,1,0,1,0,0|0,0,0]=2 520 B8R1.19 CC1(C)CCOC1=O 432330 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.23 O=C1CC(C(=O)O)C1 066492 [0,1,0,1,0,0|1,1,0]=4 522 B8R1.54 N[C@@H](C(=O)O)C1CC1 332550 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.54 N[C@H](C(=O)O)C1CC1 040025 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.78 CC1(C(=O)O)COC1 042959 [0,1,0,1,0,0|1,1,0]=4 525 B8R1.78 NC1(C(=O)O)CCC1 066472 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.78 O=C(O)C1(O)CCC1 066501 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.38 COC(=O)C1CCC1 094004 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.39 COC(=O)C1(Br)CC1 043234 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.39 COC(=O)C1(O)CC1 230805 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.50 CN1CCC(N)C1=O 048205 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.63 CNC1(C(=O)O)CC1 094770 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.63 N#CC1(C(=O)O)CC1 001453 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.77 CC1(C)CC1C(=O)O 066488 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.77 O=C(O)C1CC1(F)F 024173 [0,1,0,1,0,0|2,0,0]=4