0 B4R0.1 C#C[C@H](C)N D86216 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 CN(N)C=O D74578 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C[C@H](N)C#N 96734 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 NC(=S)CO D75093 [0,0,0,0,0,0|2,1,1]=4 4 B4R0.1 O=S([O-])CF AT25043 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 [2H][C@@H](C)CO D98056 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.1 N[13CH2][13CH2]N D98346 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.1 [2H]CCI D99684 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 [2H]CCO D98012 [1,0,0,0,0,0|1,0,0]=2 9 B3R0.2 C[13C](=O)[O-] 41466 [1,0,0,0,0,0|1,0,2]=4 10 B3R0.2 [13CH3]C(=O)[O-] 41465 [1,0,0,0,0,0|1,0,2]=4 11 B3R0.2 [13CH3][13C](=O)O 41419 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.2 [13CH3][13C](=O)[O-] 41460 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 BrCCC(Br)Br AT23421 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.1 C=C(C)C#CC AT18764 [0,1,0,0,0,0|1,0,2]=4 15 B5R0.1 CCSC(=S)[S-] 78627 [0,1,0,0,0,0|1,1,1]=4 16 B5R0.1 CNC[C@H](C)O C77457 [0,1,0,0,0,0|0,0,0]=1 17 B5R0.1 COCC(=N)N D87837 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 C[C@H](F)CCN D76461 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.1 C[C@H](N)CCF AT11794 [0,1,0,0,0,0|1,0,0]=2 20 B5R0.1 C[C@H](O)CCN D77178 [0,1,0,0,0,0|0,0,0]=1 21 B5R0.1 C[S@](=O)CCN AT24515 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.1 FC(F)CCBr AT23420 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.3 C#C[C@@H](N)CO F30989 [0,1,0,0,0,0|1,0,2]=4 24 B5R0.3 C#C[C@@H](O)CN F30338 [0,1,0,0,0,0|0,0,2]=3 25 B5R0.3 CC[C@H](F)CN D76437 [0,1,0,0,0,0|1,0,0]=2 26 B5R0.3 CC[C@H](N)CF AC5314 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.3 CC[C@H](O)CN D72871 [0,1,0,0,0,0|0,0,0]=1 28 B5R0.3 C[C@@H](CN)CO 70250 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.3 NC[C@H](F)CO AT21905 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.3 NC[C@H](N)CO D75091 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.3 NC[C@H](N)CO D75092 [0,1,0,0,0,0|2,0,0]=3 32 B5R0.3 N[C@@H](CO)CF D75094 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.3 O=C(CO)CBr AC6051 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.3 OC[C@H](O)CF AT22386 [0,1,0,0,0,0|1,0,0]=2 35 B5R0.4 CC(C)(F)C#N D86389 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.4 CC(C)(F)CN F53132 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.4 CS(=O)(=O)CBr AT13120 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.4 [2H]C([2H])(Cl)CC D98751 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.4 [2H]C([2H])([2H])CN D98259 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.5 CC(=O)[C@H](C)N 91521 [0,1,0,0,0,0|0,0,2]=3 41 B5R0.5 CC(C)[C@H](C)N AC5874 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.5 C[C@H](N)C(F)F AT11795 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.5 C[C@H](N)C(F)F AT11796 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.5 C[C@H](N)C(F)F AT11797 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [0,1,0,0,0,0|0,0,0]=1 46 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,1,0,0,0,0|1,0,1]=3 47 B5R1.2 C[C@H]1CCN1 S11047 [0,0,0,1,0,0|1,0,0]=2 48 B5R1.2 SC1CCC1 AT12396 [0,0,0,1,0,0|0,1,0]=2 49 B5R1.2 [18F]C1CNC1 AT24717 [0,0,0,1,0,0|2,0,0]=3 50 B5R1.4 CC1CC1Br AT22556 [0,0,0,1,0,0|1,0,0]=2 51 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [0,0,0,1,0,0|1,0,0]=2 52 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [0,0,0,1,0,0|1,0,0]=2 53 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [0,0,0,1,0,0|1,0,0]=2 54 B5R1.4 FC1CC1Br CS2874 [0,0,0,1,0,0|2,0,0]=3 55 B5R1.4 NC1CC1F P19355 [0,0,0,1,0,0|2,0,0]=3 56 B5R1.4 NC1CC1N AC7084 [0,0,0,1,0,0|2,0,0]=3 57 B5R1.4 NC1CC1O 92033 [0,0,0,1,0,0|1,0,0]=2 58 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [0,0,0,1,0,0|2,0,0]=3 59 B5R1.4 N[C@H]1C[C@H]1N AT11451 [0,0,0,1,0,0|2,0,0]=3 60 B5R1.5 CC1(Br)CC1 P15914 [0,0,0,1,0,0|1,0,0]=2 61 B5R1.5 NC1(O)CC1 92035 [0,0,0,1,0,0|1,0,0]=2 62 B2R0.1 [13CH3][13CH2]O 41411 [2,0,0,0,0,0|0,0,0]=2 63 B4R0.2 NOCCF AT14503 [1,1,0,0,0,0|1,0,0]=3 64 B4R0.3 C[13C](C)(C)Cl D97989 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.1 C#CC[C@H](O)CO D74768 [0,2,0,0,0,0|0,0,1]=3 66 B6R0.1 C=CC[C@H](N)CF AT24441 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.1 C=CC[C@H](O)CN AT10909 [0,2,0,0,0,0|0,0,1]=3 68 B6R0.1 C=CC[C@H](O)CN AT10910 [0,2,0,0,0,0|0,0,1]=3 69 B6R0.1 CCC[C@H](N)CF AC5307 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.1 CCC[C@H](N)CF AC7092 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 CC[C@H](N)CCO AT14304 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.1 CC[C@H](N)CCO AT22343 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.1 CC[C@H](N)CCO AT22346 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.1 CC[C@H](O)CON AT14514 [0,2,0,0,0,0|0,0,0]=2 75 B6R0.1 CNC[C@H](O)CF AT22540 [0,2,0,0,0,0|0,0,0]=2 76 B6R0.1 COCC(=O)CBr AT12825 [0,2,0,0,0,0|0,0,2]=4 77 B6R0.1 COC[C@@H](F)CN P20360 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.1 COC[C@@H](N)CO 91278 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.1 COC[C@@H](N)CO D75105 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.1 COC[C@@H](N)CO D75106 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.1 NCCC(=O)NO AT14832 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.1 N[C@H](CF)CCO AT24448 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.1 N[C@H](CO)CCF E72842 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.1 N[C@H](CO)CCO D75100 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.1 OCC[C@H](O)CCl AT21895 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.2 CC(N)CC(C)O AT23544 [0,2,0,0,0,0|0,0,0]=2 87 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [0,2,0,0,0,0|0,0,0]=2 89 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [0,2,0,0,0,0|0,0,0]=2 90 B6R0.3 CC(C)[C@@H](F)CO AT16234 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.3 CC(C)[C@@H](N)CF AC4773 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.3 CC(C)[C@@H](N)CF AC5313 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.3 CC(C)[C@@H](N)CF AC7091 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.3 CC(C)[C@@H](N)CO AT21568 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.3 COC(=O)[C@H](C)Br AT21844 [0,2,0,0,0,0|0,0,2]=4 96 B6R0.3 C[C@H](O)C(=N)NO AT25257 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.3 NC[C@H](F)C(=O)O 94834 [0,2,0,0,0,0|1,0,1]=4 98 B6R0.3 NC[C@H](F)C(=O)O 94835 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [0,2,0,0,0,0|1,0,1]=4 100 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [0,2,0,0,0,0|1,0,1]=4 101 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.3 N[C@@H](CO)C(F)F 92934 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.3 N[C@@H](CO)C(F)F 92936 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.3 N[C@@H](CO)C(F)F C93218 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.3 N[C@@H](CO)C(F)F C93220 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.3 OC[C@H](O)C(F)F AT21961 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.4 CC#CC[C@H](C)N AT21841 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.4 CC(=O)CCCN C77428 [0,2,0,0,0,0|0,0,2]=4 109 B6R0.4 CCNCC(F)F AT23781 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.4 CNCCC(F)F AT22541 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.4 FC(F)OCCBr AT14902 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.4 NCCCC(F)F D75977 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.4 NCCOC(F)F AT12486 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.4 NCCSC(F)F AT25569 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.4 OCCOC(F)F 89958 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.5 C#CCC(C)(C)C AT23213 [0,2,0,0,0,0|1,0,1]=4 117 B6R0.5 CC(C)(F)CCN P14068 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.5 CC(C)(F)CCO AT22034 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.5 CC(C)(O)CCCl D86387 [0,2,0,0,0,0|0,0,0]=2 120 B6R0.5 CC(C)(O)CON D75282 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.5 CC(F)(F)CC#N AT12471 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.5 CC(F)(F)CCBr E73229 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.5 [2H]C([2H])(O)CCC D98200 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.8 C=C[C@@](C)(N)CO D75096 [0,2,0,0,0,0|0,0,2]=4 125 B6R0.8 CC(C)(C#N)CN D86232 [0,2,0,0,0,0|2,0,0]=4 126 B6R0.8 CC(C)(CO)CF AT13782 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.8 CCC(C)(C)NN W10660 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.8 CCC(F)(F)CBr E73059 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.8 CCC(F)(F)CO C90212 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.8 CCS(=N)(=O)CC AT25733 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.8 C[C@@](N)(C#N)CO D75095 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.8 [2H]C([2H])(CN)CN D98045 [0,2,0,0,0,0|2,0,0]=4 133 B6R0.8 [2H]C([2H])(CN)CN D99590 [0,2,0,0,0,0|2,0,0]=4 134 B6R0.9 NCC(CO)CO AT26702 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.7 CC(C)(C)B(O)O AT22191 [0,2,0,0,0,0|2,0,0]=4 136 B6R0.7 C[C@H](Cl)C(C)(C)O D86388 [0,2,0,0,0,0|0,0,0]=2 137 B6R0.7 C[C@H](N)C(C)(F)F AT12480 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.7 OC(O)[13C](Cl)(Cl)Cl AT25918 [0,2,0,0,0,0|2,0,0]=4 139 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [0,2,0,0,0,0|1,0,1]=4 140 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [0,2,0,0,0,0|1,0,1]=4 141 B6R0.7 [2H][C@@](C)(O)C(=O)[O-] D99583 [0,2,0,0,0,0|1,0,1]=4 142 B4R1.2 SC1CC1 C91321 [1,0,0,1,0,0|0,1,0]=3 143 B6R1.2 Br[C@H]1CCNC1 D87521 [0,1,0,1,0,0|1,0,0]=3 144 B6R1.2 CC1=NNCC1 D76466 [0,1,0,1,0,0|1,0,1]=4 145 B6R1.3 NCCN1CC1 P18027 [0,1,0,1,0,0|2,0,0]=4 146 B6R1.3 OCC[C@H]1CO1 D72936 [0,1,0,1,0,0|0,0,0]=2 147 B6R1.3 OCC[C@H]1CO1 D74321 [0,1,0,1,0,0|0,0,0]=2 148 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [0,1,0,1,0,0|0,0,0]=2 149 B6R1.5 NC1CC(N)C1 AT13082 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [0,1,0,1,0,0|1,0,0]=3 151 B6R1.5 OC1=C[C@@H](F)C1 F18634 [0,1,0,1,0,0|0,0,2]=4 152 B6R1.5 OC1CC(Br)C1 AT17315 [0,1,0,1,0,0|0,0,0]=2 153 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [0,1,0,1,0,0|0,0,0]=2 154 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [0,1,0,1,0,0|0,0,0]=2 155 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [0,1,0,1,0,0|0,0,0]=2 156 B6R1.8 CC1CC1CN E73335 [0,1,0,1,0,0|1,0,0]=3 157 B6R1.8 COC1CC1N 92032 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,1,0,1,0,0|1,0,0]=3 159 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,1,0,1,0,0|0,0,1]=3 161 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,1,0,1,0,0|1,0,0]=3 162 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,1,0,1,0,0|1,0,0]=3 164 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,1,0,1,0,0|0,0,0]=2 166 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,1,0,1,0,0|0,0,0]=2 167 B6R1.8 N#C[C@H]1C[C@@H]1F CS3438 [0,1,0,1,0,0|1,0,1]=4 168 B6R1.8 N#C[C@H]1C[C@@H]1F CS3441 [0,1,0,1,0,0|1,0,1]=4 169 B6R1.8 NC1CC1CF AT23905 [0,1,0,1,0,0|1,0,0]=3 170 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,1,0,1,0,0|1,0,0]=3 171 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,1,0,1,0,0|1,0,0]=3 172 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,1,0,1,0,0|1,0,0]=3 173 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,1,0,1,0,0|1,0,0]=3 174 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,1,0,1,0,0|1,0,0]=3 175 B6R1.8 O=CC1CC1Cl C77400 [0,1,0,1,0,0|1,0,1]=4 176 B6R1.8 OCC1CC1Cl AT20161 [0,1,0,1,0,0|1,0,0]=3 177 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,1,0,1,0,0|1,0,0]=3 178 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,1,0,1,0,0|1,0,0]=3 179 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,1,0,1,0,0|1,0,0]=3 180 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,1,0,1,0,0|1,0,0]=3 181 B6R1.9 CC1(C)C[C@@H]1O P19509 [0,1,0,1,0,0|0,0,0]=2 182 B6R1.9 O[C@H]1CC1(F)F F17971 [0,1,0,1,0,0|1,0,0]=3 183 B6R1.10 CC1(C)CCN1 AT11216 [0,1,0,1,0,0|1,0,0]=3 184 B6R1.10 CC1(N)CSC1 P12309 [0,1,0,1,0,0|1,0,0]=3 185 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [0,1,0,1,0,0|0,0,0]=2 186 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [0,1,0,1,0,0|0,0,0]=2 187 B6R1.4 CC1CCC1N AT10478 [0,1,0,1,0,0|1,0,0]=3 188 B6R1.4 CC1CCC1O AC8042 [0,1,0,1,0,0|0,0,0]=2 189 B6R1.4 CC1CNC1C E72893 [0,1,0,1,0,0|1,0,0]=3 190 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,1,0,1,0,0|1,0,0]=3 191 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,1,0,1,0,0|1,0,0]=3 192 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,1,0,1,0,0|1,0,0]=3 193 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,1,0,1,0,0|1,0,0]=3 194 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [0,1,0,1,0,0|0,0,0]=2 195 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [0,1,0,1,0,0|0,0,0]=2 196 B6R1.4 N[C@H]1CCC1=O AT24523 [0,1,0,1,0,0|0,0,2]=4 197 B6R1.4 O=C1CC[C@@H]1O 94997 [0,1,0,1,0,0|0,0,1]=3 198 B6R1.4 O=C1NC[C@@H]1O D77141 [0,1,0,1,0,0|1,0,1]=4 199 B6R1.6 C=CC1CNC1 AT25649 [0,1,0,1,0,0|2,0,0]=4 200 B6R1.6 CNC1COC1 20485 [0,1,0,1,0,0|1,0,0]=3 201 B6R1.6 CNC1CSC1 AT25559 [0,1,0,1,0,0|1,1,0]=4 202 B6R1.6 FC[C@H]1CCN1 P12566 [0,1,0,1,0,0|1,0,0]=3 203 B6R1.6 FC[C@H]1CCN1 P13956 [0,1,0,1,0,0|1,0,0]=3 204 B6R1.6 FC[C@H]1CCN1 P14908 [0,1,0,1,0,0|1,0,0]=3 205 B6R1.6 N#C[C@@H]1CCN1 P14910 [0,1,0,1,0,0|1,0,1]=4 206 B6R1.6 N#C[C@@H]1CCN1 P14911 [0,1,0,1,0,0|1,0,1]=4 207 B6R1.6 N#C[C@@H]1CCN1 P15768 [0,1,0,1,0,0|1,0,1]=4 208 B6R1.6 NOC1CCC1 97654 [0,1,0,1,0,0|0,0,0]=2 209 B6R1.6 O=CC1CSC1 AT24592 [0,1,0,1,0,0|1,0,1]=4 210 B6R1.6 OCC1CSC1 P14098 [0,1,0,1,0,0|1,0,0]=3 211 B6R1.7 C#CC1(C)CC1 C93202 [0,1,0,1,0,0|1,0,0]=3 212 B6R1.7 CC1(C=O)CC1 90939 [0,1,0,1,0,0|0,0,1]=3 213 B6R1.7 OCC1(Br)CC1 AT25121 [0,1,0,1,0,0|1,0,0]=3 214 B6R1.7 [2H][C@]1(CCl)CO1 D99350 [0,1,0,1,0,0|1,0,0]=3