0 B5R0.3 C#CC(O)C#C A11306 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C#C[C@@H](C)CC W11641 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C#C[C@@H](N)CO F30984 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C=C(CC)CBr C77504 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C=C(CC)CC D90428 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CC(CI)CI AC4732 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CCC(=O)CCl AT22640 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CCP(Cl)CC A12755 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.3 CC[C@H](C)CBr D86395 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CC[C@H](C)CN 88661 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CC[C@H](C)CO 88660 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CC[C@H](C)NN AB8698 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.3 CC[C@H](C)ON AT14504 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.3 CC[C@H](N)C#N AT12684 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 CC[C@H](N)C#N AT12685 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CC[C@H](N)C#N N14345 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 CO[C@@H](C)CN 91000 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 C[C@@H](CO)CBr C16753 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 C\C(=C/I)CO E70219 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 NC[C@H](F)CO AT21904 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 O=C[C@@H](O)CO C15860 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.3 O=C[C@@H](O)CO S10019 [0,0,0,0,0,0|0,0,2]=2 22 B5R0.3 OCC(F)CO AT19575 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.3 [2H]N(CC)CC D98468 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 CC(=O)CN D87844 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CC(C)CN T72053 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC[13C](=O)O D99417 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC[C@H](C)N 90231 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC[C@H](C)N N12286 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC[C@H](C)N N12342 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 C[C@H](O)C#N 12324 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 C[C@H](S)CO AC8877 [1,0,0,0,0,0|0,1,0]=2 32 B4R0.1 C[C@H](S)CS T72965 [1,0,0,0,0,0|0,2,0]=3 33 B4R0.1 [15NH2]CC(=O)O 41444 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 [2H]OC(C)C D98571 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 [2H][C@H](Br)CC D99041 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.2 CNCCS AT25552 [1,0,0,0,0,0|2,1,0]=4 40 B4R0.2 COCCS AT13674 [1,0,0,0,0,0|2,1,0]=4 41 B4R0.2 NCCCI AC8002 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 NCCCN T70141 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 NCCCN T70477 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 NCCNO AT14839 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.1 C=CC[C@H](N)CO N11070 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 C=CC[C@H](N)CO N11385 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 C=CC[C@H](N)CO N15485 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 C=C[C@@H](O)CC#N F19703 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 CC[C@H](N)COC D87652 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CC[C@H](N)COC D87653 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 CC[C@H](O)CC#N A50899 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.1 CNC[C@@H](C)CN T70175 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 CNC[C@H](O)CO 56523 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.1 CNC[C@H](O)CO 56531 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.1 COCC(=O)CCl D85993 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.1 COC[C@@H](C)CO O10176 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.1 COC[C@@H](N)CO 91276 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.1 COC[C@@H](N)CO 91277 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.1 COC[C@@H](N)CO C90595 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.1 COC[C@@H](O)CN 94766 [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 COC[C@@H](O)CN 98632 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.1 COC[C@H](C)C#N C77646 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 COC[C@H](N)C#N AT12993 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 CSC[C@@H](N)CO 96818 [0,1,0,0,0,0|1,1,0]=3 69 B6R0.1 CSC[C@@H](N)CO 96819 [0,1,0,0,0,0|1,1,0]=3 70 B6R0.1 C[C@H](CN)CCO AT20757 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 C[C@H](CO)CCO 96740 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.1 C\C(=C\CO)CO C92111 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.1 NC[C@@H](N)CCO AT20759 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 N[C@H](CO)CCO AB10001 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.1 O[C@H](CCl)CCCl T70626 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 [2H]OC[C@H](C)O[2H] D98238 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CC(C)[C@@H](O)CN V10285 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 CC(O)C(N)CO D75101 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.3 CCC(C)C(C)N 78513 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.3 CCC(N)C(C)O N14662 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.3 CC[C@H](N)C(C)C 74049 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,1,0,0,0,0|1,1,1]=4 85 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.3 C[C@H](O)\C(N)=N\O AT25222 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 ClC[C@H](Cl)C(Cl)Cl T71984 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 NC(=O)[C@@H](N)CO D75097 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.3 NC(=O)[C@@H](N)CO D75099 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.3 NC[C@H](F)C(=O)O 94840 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 NC[C@H](F)C(=O)O 94844 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 NC[C@H](F)C(=O)O 94847 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 NC[C@H](O)C(F)F 70902 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 NC[C@H](O)C(F)F AC1730 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.3 OC[C@H](O)C(F)F AT21960 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.8 C=CC(C)(C)CO C77629 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.8 C=C[C@@](C)(O)CN FD13138 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.8 CC(C)(CO)ON AT14544 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.8 CCC(C)(Br)CC F20158 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.8 CC[C@](C)(N)CO D75057 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.8 CC[C@](C)(O)CO D78587 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.8 CSC(C)(C)CO AT13941 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.8 C[C@](O)(CN)CO AT10630 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.8 ClCC(Cl)(Cl)CCl T71704 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.8 [2H]C([2H])(CC)CBr D98198 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.8 [2H]C([2H])(CO)CO D98164 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.9 CCC(OC)OC D87756 [0,1,0,0,0,0|3,0,0]=4 114 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.2 FC1CCCC1 T71800 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,1,0,0|1,0,0]=2 118 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.4 CC1NCC1O P13360 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.4 CC1OCC1N P20429 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.6 CNC1COC1 F51705 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.6 ClC[C@H]1CCO1 32069 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.6 NOC1COC1 97652 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.7 C[C@]1(CBr)CO1 AC6229 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.7 NCC1(N)CC1 91266 [0,0,0,1,0,0|3,0,0]=4 128 B6R1.8 CC1CC1CBr P20770 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,0,1,0,0|3,0,0]=4 132 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 133 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 134 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 CC(=O)O 41449 [2,0,0,0,0,0|0,0,2]=4 137 B3R0.2 CC(C)N T72805 [2,0,0,0,0,0|1,0,0]=3 138 B3R0.2 [2H]N(C)C D98629 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.2 [2H][C@@H](C)I D98644 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 C#CC[C@H](C)N AT12968 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.1 CC(C)\C=N\O D77551 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.1 CONC(C)C AT24926 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|1,1,0]=4 148 B5R0.1 C[C@H](N)CC#N N14213 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|0,0,0]=2 155 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.4 CC(C)(N)CF AT13343 [1,1,0,0,0,0|2,0,0]=4 157 B5R0.4 CC(C)(N)CN F16110 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.4 OCC(F)(F)Br C77485 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.4 [2H]C(C)(C)CO D98435 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.4 [2H]C([2H])(C)CBr D99539 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.4 [2H]C([2H])(C)CI D98693 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.4 [2H]C([2H])(C)CO D98924 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.4 [2H]C([2H])(O)CC D99543 [1,1,0,0,0,0|2,0,0]=4 164 B5R0.4 [2H]C([2H])([2H])CO D99174 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.5 CC(C)C(=O)O A11457 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.5 CC(C)C(I)I AC2721 [1,1,0,0,0,0|2,0,0]=4 167 B5R0.5 CC(C)[C@H](C)Br AT23713 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.5 CC(C)[C@H](C)N A12293 [1,1,0,0,0,0|2,0,0]=4 169 B5R0.5 CC(N)C(C)N AT12970 [1,1,0,0,0,0|2,0,0]=4 170 B5R0.5 C[C@H](F)C(=O)O 36890 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.5 C[C@H](O)C(=N)N F21307 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.2 C#CCCOC AC9661 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.2 C=CCCON S12259 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.2 CCCCNN AC6660 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.2 CCCCNO AT14838 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.2 CCCNOC AT24927 [1,1,0,0,0,0|2,0,0]=4 179 B5R0.2 COCCNN AC7088 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.2 CONCCO AT24903 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.2 N#CCCCN N13271 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.2 NCC#CCO AT19985 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.2 NCCCNN W10659 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.2 NCCCNO AT14843 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.2 NNCCCO W10664 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.2 NOCCCO P16653 [1,1,0,0,0,0|0,0,0]=2 187 B5R0.2 [2H]OCCCC D98922 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.2 [2H]OCCO[2H] D98232 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,2,0,0,0,0|1,0,0]=3 190 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.3 CC#CC[C@H](N)CO D75108 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.3 CCCC[C@H](N)CO D75114 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.3 CCCC[C@H](N)CO H10583 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.3 CC[C@H](O)CCC#N F51112 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.5 CC(C)[C@@H](O)CON AT14521 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.5 COC[C@H](N)C(C)C 71787 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.7 CCC[C@H](N)CCO N15481 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.7 CCC[C@H](N)CCO N15482 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.7 COCC(Br)COC D74902 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.7 COCC(N)COC AT12494 [0,2,0,0,0,0|1,0,0]=3 205 B7R0.10 CCC(C)C(N)CO D75056 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.10 COC(=O)[C@@H](N)CO D87908 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.10 C\C(CO)=C(/C)CO C92112 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.10 O=C[C@@H](O)[C@@H](O)CO T72661 [0,2,0,0,0,0|0,0,0]=2 210 B7R0.11 C=CCC(C)(C)CO 68262 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.11 CC(C)(CN)CCO AT20760 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.11 CC(C)(CO)CC#N H11137 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.13 CC(C)(CO)C(F)F AT13778 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.13 CC(C)[C@@](C)(N)CO D75113 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.13 O=C(O)C(F)(F)CO AT12476 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.14 CC(C)(O)[C@@H](F)CN AC4900 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.14 CC(C)(O)[C@@H](N)CF C92624 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.14 CC(C)(O)[C@@H](N)CF C92628 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.14 N[C@@H](CO)C(F)(F)F F16926 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.14 N[C@@H](CO)C(F)(F)F I11778 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.14 N[C@@H](CO)C(F)(F)F N15484 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.14 OC[C@H](O)C(F)(F)F AT11768 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.18 CCC(N)(CC)CO D75115 [0,2,0,0,0,0|2,0,0]=4 229 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|2,0,0]=4 230 B5R1.2 FC1CNC1 31039 [1,0,0,1,0,0|2,0,0]=4 231 B5R1.2 IC1CNC1 P11673 [1,0,0,1,0,0|2,0,0]=4 232 B5R1.2 NC1CNC1 AC2715 [1,0,0,1,0,0|2,0,0]=4 233 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,0,0]=3 234 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|1,1,0]=4 235 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|2,0,0]=4 236 B5R1.4 N[C@@H]1C[C@@H]1F CS2913 [1,0,0,1,0,0|2,0,0]=4 237 B5R1.1 C1=NCCO1 F18129 [1,0,0,1,0,0|2,0,0]=4 238 B5R1.1 C1CNOC1 F14141 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.1 NN[C@H]1CCOC1 91992 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.1 NN[C@H]1CCOC1 C93321 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.1 NN[C@H]1CCOC1 F15303 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.1 NOC1CCCC1 97656 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.1 OC[C@H]1CCCN1 11147 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.1 ONC1CCCC1 33366 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.1 ONC1CCCC1 33756 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.3 N[C@H]1CCCOC1 F31015 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.3 N[C@H]1CCCOC1 P11042 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.4 CC1CNCC1O 72148 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.4 CC1CNCC1O AT22587 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.4 NC1COCC1O F19779 [0,1,0,1,0,0|1,0,0]=3 257 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,1,0,0|1,0,0]=3 260 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.4 OC1COCC1Br AC8201 [0,1,0,1,0,0|1,0,0]=3 262 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.6 CCNC1COC1 F51700 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.6 ICCC1COC1 AC4775 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.6 OCC[C@H]1CCN1 D76473 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.6 OCC[C@H]1CCN1 F50335 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.10 NCC1CC(O)C1 P11686 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.10 NC[C@H]1C[C@@H](O)C1 P11930 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.10 NC[C@H]1C[C@H](O)C1 P12114 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.10 N[C@H]1C[C@H](CO)C1 P12115 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.21 CCCC1(O)CC1 AT11368 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.21 OCCC1(O)CC1 33693 [0,1,0,1,0,0|1,0,0]=3 279 B7R1.22 NC[C@H](O)C1CC1 V10284 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.22 N[C@@H](CO)C1CC1 AT25644 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.22 N[C@@H](CO)C1CC1 N11216 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.25 CC1(CO)CSC1 D75149 [0,1,0,1,0,0|1,1,0]=4 283 B7R1.25 CC1(CS)COC1 CS1170 [0,1,0,1,0,0|1,1,0]=4 284 B7R1.25 CCC1(N)COC1 CS2262 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.25 OCC1(F)CNC1 38894 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.14 C[C@]1(O)CNOC1 A50949 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.14 C[C@]1(O)CNOC1 AT14854 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.29 CCC1(CC)CO1 91067 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.29 CCC1(CO)CC1 AT23872 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.29 CC[C@]1(CCl)CO1 T71304 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.29 CNC1(CO)CC1 98659 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.29 COC1(CN)CC1 P17998 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.29 NCC1(CO)CC1 C77891 [0,1,0,1,0,0|2,0,0]=4