0 B4R0.1 C=C(Br)CN 94099 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=C(Br)CN AC8267 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(Cl)CI AT26028 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C=C=C(C)C T72680 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(=O)CN D87844 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 CC(C)CN T72053 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC[13C](=O)O D99417 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 CC[C@H](C)N 90231 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC[C@H](C)N N12286 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC[C@H](C)N N12342 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 C[C@H](O)C#N 12324 [0,0,0,0,0,0|1,0,1]=2 11 B4R0.1 C[C@H](S)CO AC8877 [0,0,0,0,0,0|0,1,0]=1 12 B4R0.1 C[C@H](S)CS T72965 [0,0,0,0,0,0|0,2,0]=2 13 B4R0.1 N=C(N)CF AT24452 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NCC(N)=O FD21645 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 [15NH2]CC(=O)O 41444 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 [2H]OC(C)C D98571 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 [2H][C@H](Br)CC D99041 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.1 CC#CI T72724 [1,0,0,0,0,0|1,0,2]=4 19 B3R0.1 CCCN T71779 [1,0,0,0,0,0|1,0,0]=2 20 B3R0.1 NCCI AC7986 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 [2H]CCBr D98237 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 [2H]OCC D99756 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.2 CC(=N)N T70291 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.2 CC(=O)O 41449 [1,0,0,0,0,0|0,0,2]=3 25 B3R0.2 CC(=O)[O-] D76174 [1,0,0,0,0,0|0,0,3]=4 26 B3R0.2 CC(=O)[O-] F20820 [1,0,0,0,0,0|0,0,3]=4 27 B3R0.2 CC(=O)[O-] T72577 [1,0,0,0,0,0|0,0,3]=4 28 B3R0.2 CC(C)N T72805 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.2 CC([15NH2])=O 41452 [1,0,0,0,0,0|1,0,2]=4 30 B3R0.2 C[13C](=O)[O-] D99050 [1,0,0,0,0,0|0,0,3]=4 31 B3R0.2 C[S@@](N)=O A10759 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.2 [2H]C(=O)O T73068 [1,0,0,0,0,0|1,0,2]=4 33 B3R0.2 [2H]N(C)C D98629 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.2 [2H][C@@H](C)I D98644 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 C#CC[C@H](C)N AT12968 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.1 C=C(C)CCC D91296 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 C=CCC(=C)C T72918 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 C=CC[C@H](C)N AT12969 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(=O)CCBr D82681 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.1 CC(C)CNN AR2531 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.1 CC(C)\C=N\O D77551 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.1 CCC[C@H](C)N N10856 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 CCC[C@H](C)N N15476 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 CN(C)CCBr F20843 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.1 CNCC(C)=O 72642 [0,1,0,0,0,0|1,0,2]=4 46 B5R0.1 CONC(C)=O AT24901 [0,1,0,0,0,0|1,0,2]=4 47 B5R0.1 CONC(C)C AT24926 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 CSC[C@H](C)N AT10784 [0,1,0,0,0,0|1,1,0]=3 49 B5R0.1 C[C@H](N)CC#N N14213 [0,1,0,0,0,0|2,0,0]=3 50 B5R0.1 C[C@H](N)CCO 83613 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.1 C[C@H](N)CCO 83649 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.1 C[C@H](O)CCN D77181 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 C[C@H](O)CCN D77194 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.1 C[C@H](O)CNN W10671 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.1 C[C@H](O)CON AT14481 [0,1,0,0,0,0|0,0,0]=1 56 B5R0.1 C[S@](=O)CCN AT24516 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 C[S@](=O)CCN AT24517 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 C[S@](=O)CCO E72546 [0,1,0,0,0,0|1,0,1]=3 59 B5R0.1 C\C(I)=C/CI AC6903 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 C\C=C/C(C)C T72834 [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 N=C(N)CCO AT21673 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 NCCC(=O)O T70551 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 NCC[P@H](=O)O S12399 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.3 C#CC(O)C#C A11306 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.3 C#C[C@@H](C)CC W11641 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.3 C#C[C@@H](N)CO F30984 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.3 C=C(CC)CBr C77504 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.3 C=C(CC)CC D90428 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.3 CC(CI)CI AC4732 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.3 CCC(=O)CCl AT22640 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.3 CCP(Cl)CC A12755 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.3 CC[C@H](C)CBr D86395 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.3 CC[C@H](C)CN 88661 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 CC[C@H](C)CO 88660 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.3 CC[C@H](C)NN AB8698 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.3 CC[C@H](C)ON AT14504 [0,1,0,0,0,0|1,0,0]=2 77 B5R0.3 CC[C@H](N)C#N AT12684 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.3 CC[C@H](N)C#N AT12685 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.3 CC[C@H](N)C#N N14345 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.3 CN[C@@H](C)C#N AT19980 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.3 COC(=N)CCl H10399 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.3 CO[C@@H](C)CN 91000 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.3 C[C@@H](CO)CBr C16753 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.3 C\C(=C/I)CO E70219 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.3 NC[C@H](F)CO AT21904 [0,1,0,0,0,0|1,0,0]=2 86 B5R0.3 O=C[C@@H](O)CO C15860 [0,1,0,0,0,0|0,0,1]=2 87 B5R0.3 O=C[C@@H](O)CO S10019 [0,1,0,0,0,0|0,0,1]=2 88 B5R0.3 OCC(F)CO AT19575 [0,1,0,0,0,0|1,0,0]=2 89 B5R0.3 [2H]N(CC)CC D98468 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.4 CC(C)(C)Cl=O D90846 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.4 CC(C)(N)CF AT13343 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.4 CC(C)(N)CN F16110 [0,1,0,0,0,0|2,0,0]=3 93 B5R0.4 OCC(F)(F)Br C77485 [0,1,0,0,0,0|2,0,0]=3 94 B5R0.4 [2H]C(C)(C)CO D98435 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.4 [2H]C([2H])(Br)CC D97995 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.4 [2H]C([2H])(C)C=O D98006 [0,1,0,0,0,0|1,0,2]=4 97 B5R0.4 [2H]C([2H])(C)CBr D99539 [0,1,0,0,0,0|2,0,0]=3 98 B5R0.4 [2H]C([2H])(C)CI D98693 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.4 [2H]C([2H])(C)CO D98924 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.4 [2H]C([2H])(C)NC D99751 [0,1,0,0,0,0|3,0,0]=4 101 B5R0.4 [2H]C([2H])(I)CC D97861 [0,1,0,0,0,0|3,0,0]=4 102 B5R0.4 [2H]C([2H])(O)CC D99543 [0,1,0,0,0,0|2,0,0]=3 103 B5R0.4 [2H]C([2H])([2H])CBr D99426 [0,1,0,0,0,0|3,0,0]=4 104 B5R0.4 [2H]C([2H])([2H])CCl D99679 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.4 [2H]C([2H])([2H])CI D98931 [0,1,0,0,0,0|3,0,0]=4 106 B5R0.4 [2H]C([2H])([2H])CO D99174 [0,1,0,0,0,0|2,0,0]=3 107 B5R0.4 [2H]OC(C)(C)C D99425 [0,1,0,0,0,0|3,0,0]=4 108 B5R0.5 CC(=O)[C@H](C)N 91522 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.5 CC(C)C(=O)O A11457 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.5 CC(C)C(I)I AC2721 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.5 CC(C)S(=O)[O-] AT25017 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.5 CC(C)[13C](=O)[O-] D99296 [0,1,0,0,0,0|1,0,2]=4 113 B5R0.5 CC(C)[C@H](C)Br AT23713 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.5 CC(C)[C@H](C)N A12293 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.5 CC(C)[S@](=O)[O-] C11403 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.5 CC(N)C(C)N AT12970 [0,1,0,0,0,0|2,0,0]=3 117 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,1,0,0,0,0|1,0,2]=4 118 B5R0.5 C[C@H](F)C(=O)O 36890 [0,1,0,0,0,0|1,0,1]=3 119 B5R0.5 C[C@H](N)C(N)=O FD21067 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.5 C[C@H](O)C(=N)N F21307 [0,1,0,0,0,0|1,0,1]=3 121 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [0,1,0,0,0,0|1,0,0]=2 122 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.5 [2H]C([2H])[C@H]([2H])Br D98920 [0,1,0,0,0,0|3,0,0]=4 124 B5R1.2 C[C@H]1CCN1 71554 [0,0,0,1,0,0|2,0,0]=3 125 B5R1.2 FC1CNC1 31039 [0,0,0,1,0,0|2,0,0]=3 126 B5R1.2 IC1CNC1 P11673 [0,0,0,1,0,0|2,0,0]=3 127 B5R1.2 NC1CNC1 AC2715 [0,0,0,1,0,0|2,0,0]=3 128 B5R1.2 O=C1CNC1 D87722 [0,0,0,1,0,0|1,0,2]=4 129 B5R1.3 C=CC1CC1 59738 [0,0,0,1,0,0|2,0,1]=4 130 B5R1.3 IC[C@H]1CO1 CS1242 [0,0,0,1,0,0|1,0,0]=2 131 B5R1.3 NNC1CC1 P19257 [0,0,0,1,0,0|3,0,0]=4 132 B5R1.3 SCC1CC1 AT12991 [0,0,0,1,0,0|1,1,0]=3 133 B5R1.4 C[C@H]1C[C@@H]1N 73029 [0,0,0,1,0,0|2,0,0]=3 134 B5R1.4 N[C@@H]1C[C@@H]1F CS2913 [0,0,0,1,0,0|2,0,0]=3 135 B2R0.1 CCN T72544 [2,0,0,0,0,0|1,0,0]=3 136 B2R0.1 CNC 44403 [2,0,0,0,0,0|1,0,0]=3 137 B2R0.1 CON F16476 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 C#CCSC AT19944 [1,1,0,0,0,0|1,0,1]=4 139 B4R0.2 C=C=CCC T72673 [1,1,0,0,0,0|1,0,1]=4 140 B4R0.2 C=CCCI C77576 [1,1,0,0,0,0|1,0,1]=4 141 B4R0.2 C=CCCN AT25938 [1,1,0,0,0,0|1,0,1]=4 142 B4R0.2 CC#CCN AT19966 [1,1,0,0,0,0|1,0,1]=4 143 B4R0.2 CCNCC T70517 [1,1,0,0,0,0|1,0,0]=3 144 B4R0.2 CC\C=C\Br F11593 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.2 CNCCS AT25552 [1,1,0,0,0,0|0,1,0]=3 146 B4R0.2 COCCS AT13674 [1,1,0,0,0,0|0,1,0]=3 147 B4R0.2 NCCCI AC8002 [1,1,0,0,0,0|1,0,0]=3 148 B4R0.2 NCCCN T70141 [1,1,0,0,0,0|1,0,0]=3 149 B4R0.2 NCCCN T70477 [1,1,0,0,0,0|1,0,0]=3 150 B4R0.2 NCCNO AT14839 [1,1,0,0,0,0|1,0,0]=3 151 B4R0.2 [2H]OCCC D99167 [1,1,0,0,0,0|0,0,0]=2 152 B4R0.3 CP(C)(=O)Cl AT21855 [1,1,0,0,0,0|1,0,1]=4 153 B4R0.3 CP(C)(=S)Cl T71511 [1,1,0,0,0,0|1,1,0]=4 154 B4R0.3 C[Ge](C)(C)Cl T71831 [1,1,0,0,0,0|1,1,0]=4 155 B4R0.3 C[N+](C)(C)C F15162 [1,1,0,0,0,0|2,0,0]=4 156 B4R0.3 C[P+](C)(C)C A12534 [1,1,0,0,0,0|2,0,0]=4 157 B4R0.3 C[Si](O)(O)O F20752 [1,1,0,0,0,0|0,1,0]=3 158 B4R0.3 O=S(=O)(O)O 41448 [1,1,0,0,0,0|2,0,0]=4 159 B4R0.3 [2H]C(C)(C)Br D99067 [1,1,0,0,0,0|1,0,0]=3 160 B4R0.3 [2H]C(C)(C)Cl D98394 [1,1,0,0,0,0|1,0,0]=3 161 B4R0.3 [2H]C(C)(C)I D98839 [1,1,0,0,0,0|1,0,0]=3 162 B4R0.3 [2H]C([2H])(C)Br D99303 [1,1,0,0,0,0|2,0,0]=4 163 B4R0.3 [2H]C([2H])(C)Cl D98462 [1,1,0,0,0,0|2,0,0]=4 164 B4R0.3 [2H]C([2H])(C)I D99166 [1,1,0,0,0,0|2,0,0]=4 165 B4R0.3 [2H]C([2H])(C)O D97863 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.1 C=CC[C@H](N)CO N11070 [0,2,0,0,0,0|1,0,0]=3 167 B6R0.1 C=CC[C@H](N)CO N11385 [0,2,0,0,0,0|1,0,0]=3 168 B6R0.1 C=CC[C@H](N)CO N15485 [0,2,0,0,0,0|1,0,0]=3 169 B6R0.1 C=CC[C@H](O)CN AT10905 [0,2,0,0,0,0|1,0,0]=3 170 B6R0.1 C=C[C@@H](C)CCC T72328 [0,2,0,0,0,0|2,0,0]=4 171 B6R0.1 C=C[C@@H](O)CC#N F19703 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.1 CCC[C@H](C)CBr S11885 [0,2,0,0,0,0|2,0,0]=4 173 B6R0.1 CC[C@H](N)CCO AT22371 [0,2,0,0,0,0|1,0,0]=3 174 B6R0.1 CC[C@H](N)COC D87652 [0,2,0,0,0,0|1,0,0]=3 175 B6R0.1 CC[C@H](N)COC D87653 [0,2,0,0,0,0|1,0,0]=3 176 B6R0.1 CC[C@H](O)CC#N A50899 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.1 CNC[C@@H](C)CN T70175 [0,2,0,0,0,0|2,0,0]=4 178 B6R0.1 CNC[C@H](O)CO 56523 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.1 CNC[C@H](O)CO 56531 [0,2,0,0,0,0|0,0,0]=2 180 B6R0.1 COCC(=O)CCl D85993 [0,2,0,0,0,0|0,0,2]=4 181 B6R0.1 COCC(=O)OC F53343 [0,2,0,0,0,0|0,0,2]=4 182 B6R0.1 COC[C@@H](C)CO O10176 [0,2,0,0,0,0|0,0,0]=2 183 B6R0.1 COC[C@@H](N)CO 91276 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.1 COC[C@@H](N)CO 91277 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.1 COC[C@@H](N)CO C90595 [0,2,0,0,0,0|1,0,0]=3 186 B6R0.1 COC[C@@H](O)CN 94766 [0,2,0,0,0,0|0,0,0]=2 187 B6R0.1 COC[C@@H](O)CN 98632 [0,2,0,0,0,0|0,0,0]=2 188 B6R0.1 COC[C@H](C)C#N C77646 [0,2,0,0,0,0|1,0,0]=3 189 B6R0.1 COC[C@H](N)C#N AT12993 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.1 CSC[C@@H](N)CO 96818 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.1 CSC[C@@H](N)CO 96819 [0,2,0,0,0,0|1,0,0]=3 192 B6R0.1 C[C@H](CN)CCO AT20757 [0,2,0,0,0,0|1,0,0]=3 193 B6R0.1 C[C@H](CO)CCO 96740 [0,2,0,0,0,0|0,0,0]=2 194 B6R0.1 C\C(=C\CO)CO C92111 [0,2,0,0,0,0|0,0,1]=3 195 B6R0.1 NC[C@@H](N)CCO AT20759 [0,2,0,0,0,0|1,0,0]=3 196 B6R0.1 N[C@H](CO)CCO AB10001 [0,2,0,0,0,0|1,0,0]=3 197 B6R0.1 O[C@H](CCl)CCCl T70626 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.1 [2H]OC[C@H](C)O[2H] D98238 [0,2,0,0,0,0|0,0,0]=2 199 B6R0.2 CC(C)C[C@H](C)N 90224 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,2,0,0,0,0|2,0,0]=4 201 B6R0.2 C[C@H](N)CN(C)C C78207 [0,2,0,0,0,0|2,0,0]=4 202 B6R0.2 C[C@H](N)CN(C)C C78491 [0,2,0,0,0,0|2,0,0]=4 203 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,2,0,0,0,0|1,0,0]=3 205 B6R0.3 CC(C)[C@@H](O)CN V10285 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.3 CC(C)\C(Cl)=N\O D77552 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.3 CC(O)C(N)CO D75101 [0,2,0,0,0,0|0,0,0]=2 209 B6R0.3 CCC(C)C(C)N 78513 [0,2,0,0,0,0|2,0,0]=4 210 B6R0.3 CCC(N)C(C)O N14662 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.3 CC[C@H](N)C(C)C 74049 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,2,0,0,0,0|0,1,1]=4 213 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,2,0,0,0,0|1,0,0]=3 214 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,2,0,0,0,0|0,0,0]=2 215 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,2,0,0,0,0|0,0,0]=2 216 B6R0.3 C[C@H](C#N)C(=O)O C77562 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.3 C[C@H](N)C(=O)NO AT14787 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 C[C@H](N)C(=O)NO AT14821 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.3 C[C@H](O)\C(N)=N\O AT25222 [0,2,0,0,0,0|0,0,1]=3 220 B6R0.3 C[C@H](ON)C(=O)O AT14508 [0,2,0,0,0,0|0,0,1]=3 221 B6R0.3 ClC[C@H](Cl)C(Cl)Cl T71984 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.3 NC(=O)[C@@H](N)CO D75097 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.3 NC(=O)[C@@H](N)CO D75099 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.3 NC[C@H](F)C(=O)O 94840 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.3 NC[C@H](F)C(=O)O 94844 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.3 NC[C@H](F)C(=O)O 94847 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.3 NC[C@H](O)C(F)F 70902 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.3 NC[C@H](O)C(F)F AC1730 [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.3 OC[C@H](O)C(F)F AT21960 [0,2,0,0,0,0|0,0,0]=2 233 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.4 C=C(C)CCCO 71061 [0,2,0,0,0,0|1,0,1]=4 235 B6R0.4 CC(C)CCNN AC3937 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.4 CC(C)OCCS AT13760 [0,2,0,0,0,0|1,1,0]=4 237 B6R0.4 CCNC[C@H](C)O 91070 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.4 COCOC(C)=O D72003 [0,2,0,0,0,0|0,0,2]=4 239 B6R0.4 C[C@H](N)CCCO AT20758 [0,2,0,0,0,0|1,0,0]=3 240 B6R0.4 C[C@H](O)CCC#N F51113 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.4 C[C@H](O)CCCBr A11305 [0,2,0,0,0,0|1,0,0]=3 242 B6R0.4 C[C@H](O)CCCN AT20756 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.4 NOCCC(=O)O AT14539 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.5 C=CCC(C)(C)N 68260 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.5 CC(C)(C)CON AT14507 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.5 CC(C)(I)CCO AC4846 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.5 CC(F)(F)CCO AT12474 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.5 CCCC(C)(C)C D87693 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.5 CCO[P@@](C)(=O)O 88048 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.5 CNCC(C)(C)F F53133 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.5 C[N+](C)(C)CCO AC6994 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.5 NOCC(F)(F)F D76609 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.5 [2H]C([2H])([2H])CCO D99664 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.8 C=CC(C)(C)CO C77629 [0,2,0,0,0,0|1,0,0]=3 255 B6R0.8 C=C[C@@](C)(O)CN FD13138 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.8 CC(C)(CO)ON AT14544 [0,2,0,0,0,0|0,0,0]=2 257 B6R0.8 CCC(C)(Br)CC F20158 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.8 CC[C@](C)(N)C#N 20939 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.8 CC[C@](C)(N)CO D75057 [0,2,0,0,0,0|1,0,0]=3 260 B6R0.8 CC[C@](C)(O)CO D78587 [0,2,0,0,0,0|0,0,0]=2 261 B6R0.8 COC(C)(C)C#N AT24380 [0,2,0,0,0,0|1,0,1]=4 262 B6R0.8 COC(C)(C)CN D87550 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.8 COC(C)(C)CN W19681 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.8 CSC(C)(C)CCl AT13953 [0,2,0,0,0,0|1,1,0]=4 265 B6R0.8 CSC(C)(C)CN AT13938 [0,2,0,0,0,0|1,1,0]=4 266 B6R0.8 CSC(C)(C)CO AT13941 [0,2,0,0,0,0|0,1,0]=3 267 B6R0.8 C[C@](O)(CN)CO AT10630 [0,2,0,0,0,0|0,0,0]=2 268 B6R0.8 ClCC(Cl)(Cl)CCl T71704 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.8 [2H]C([2H])(CC)CBr D98198 [0,2,0,0,0,0|2,0,0]=4 270 B6R0.8 [2H]C([2H])(CO)CO D98164 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.9 CCC(OC)OC D87756 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.9 [C-]#[N+]C(OC)OC S10362 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.7 CC(C)(N)C(F)F AT13361 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.7 C[C@@H](N)P(=O)(O)O T71158 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.7 C[C@H](N)C(C)(C)C F17437 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.7 C[C@H](N)C(C)(C)O 86324 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.7 C[C@H](N)C(C)(C)O 86840 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.7 C[C@H](N)C(C)(C)O AC8680 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.7 C[C@H](N)C(C)(F)F 91520 [0,2,0,0,0,0|2,0,0]=4 280 B6R0.7 C[C@H](O)C(C)(C)N AC8763 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,2,0,0,0,0|1,0,1]=4 282 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.7 [2H]C([2H])(O)C(=O)O D98859 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.7 [2H]C([2H])([2H])[C@H](C)Br D98420 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.7 [2H]C([2H])([2H])[C@H](C)Cl D97933 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.7 [2H][C@H](O)C([2H])([2H])[2H] D98741 [0,2,0,0,0,0|2,0,0]=4 288 B6R1.2 C[C@H]1CCNC1 71655 [0,1,0,1,0,0|2,0,0]=4 289 B6R1.2 FC1CCCC1 T71800 [0,1,0,1,0,0|2,0,0]=4 290 B6R1.2 F[C@H]1CCNC1 FD10498 [0,1,0,1,0,0|2,0,0]=4 291 B6R1.2 O[C@H]1CNOC1 AT14847 [0,1,0,1,0,0|0,0,0]=2 292 B6R1.5 CC1CC(C)N1 P20516 [0,1,0,1,0,0|2,0,0]=4 293 B6R1.5 C[C@H]1CC(=O)N1 D72859 [0,1,0,1,0,0|1,0,1]=4 294 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [0,1,0,1,0,0|2,0,0]=4 295 B6R1.5 NC1CC(=O)C1 D78737 [0,1,0,1,0,0|1,0,1]=4 296 B6R1.5 NC1CC(Cl)C1 AT13059 [0,1,0,1,0,0|2,0,0]=4 297 B6R1.5 NC1CC(F)C1 P12018 [0,1,0,1,0,0|2,0,0]=4 298 B6R1.5 N[C@H]1C[C@@H](Br)C1 AT13083 [0,1,0,1,0,0|2,0,0]=4 299 B6R1.5 N[C@H]1C[C@@H](O)C1 29968 [0,1,0,1,0,0|1,0,0]=3 300 B6R1.5 O[C@H]1C[C@H](Br)C1 AT12400 [0,1,0,1,0,0|1,0,0]=3 301 B6R1.8 CC1CC1C#N C77546 [0,1,0,1,0,0|2,0,0]=4 302 B6R1.8 CC1CC1CBr P20770 [0,1,0,1,0,0|2,0,0]=4 303 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,1,0,1,0,0|2,0,0]=4 304 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,1,0,1,0,0|2,0,0]=4 305 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,1,0,1,0,0|2,0,0]=4 306 B6R1.9 CC1(C)C[C@@H]1N AT11452 [0,1,0,1,0,0|2,0,0]=4 307 B6R1.9 N[C@H]1CC1(F)F AT11294 [0,1,0,1,0,0|2,0,0]=4 308 B6R1.9 N[C@H]1CC1(F)F P11642 [0,1,0,1,0,0|2,0,0]=4 309 B6R1.10 CC1(F)CNC1 D79173 [0,1,0,1,0,0|2,0,0]=4 310 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [0,1,0,1,0,0|1,0,1]=4 311 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [0,1,0,1,0,0|0,0,1]=3 312 B6R1.4 CC1CCC1N W15200 [0,1,0,1,0,0|2,0,0]=4 313 B6R1.4 CC1NCC1O P13360 [0,1,0,1,0,0|1,0,0]=3 314 B6R1.4 CC1OCC1N P20429 [0,1,0,1,0,0|1,0,0]=3 315 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,1,0,1,0,0|1,0,0]=3 316 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,1,0,1,0,0|1,0,0]=3 317 B6R1.6 CNC1COC1 F51705 [0,1,0,1,0,0|1,0,0]=3 318 B6R1.6 ClC[C@H]1CCO1 32069 [0,1,0,1,0,0|1,0,0]=3 319 B6R1.6 N#CC1CSC1 56781 [0,1,0,1,0,0|1,1,0]=4 320 B6R1.6 NOC1CCC1 97653 [0,1,0,1,0,0|1,0,0]=3 321 B6R1.6 NOC1COC1 97652 [0,1,0,1,0,0|0,0,0]=2 322 B6R1.7 CC1(C#N)CC1 94087 [0,1,0,1,0,0|2,0,0]=4 323 B6R1.7 C[C@]1(CBr)CO1 AC6229 [0,1,0,1,0,0|1,0,0]=3 324 B6R1.7 NCC1(N)CC1 91266 [0,1,0,1,0,0|2,0,0]=4