0 B4R0.2 NOCCF AT14503 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 N[13CH2][13CH2]N D98346 [1,0,0,0,0,0|1,0,0]=2 2 B3R0.1 [2H]CCI D99684 [1,0,0,0,0,0|2,0,0]=3 3 B3R0.1 [2H]CCO D98012 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 BrCCC(Br)Br AT23421 [0,1,0,0,0,0|2,0,0]=3 5 B5R0.1 CCSC(=S)[S-] 78627 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.1 CNC[C@H](C)O C77457 [0,1,0,0,0,0|2,0,0]=3 7 B5R0.1 COCC(=N)N D87837 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.1 C[C@H](F)CCN D76461 [0,1,0,0,0,0|0,0,0]=1 9 B5R0.1 C[C@H](N)CCF AT11794 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.1 C[C@H](O)CCN D77178 [0,1,0,0,0,0|0,0,0]=1 11 B5R0.1 C[S@](=O)CCN AT24515 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.1 FC(F)CCBr AT23420 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.2 C#CCNOC AT24887 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.2 C=CCNOC AT24925 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.2 CCNCCS AT25561 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.2 CCOCC=O AT18655 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.2 CNCCCF AT22549 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.2 CSSCCN AT25568 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.2 NCCCCF D75976 [0,1,0,0,0,0|0,0,0]=1 20 B5R0.2 NCCCCS AT25915 [0,1,0,0,0,0|0,0,0]=1 21 B5R0.2 O=CCCCBr AT24507 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.2 [C-]#[N+]CCSC AT25542 [0,1,0,0,0,0|1,0,1]=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|0,0,0]=1 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|1,0,0]=2 30 B5R0.3 NC[C@H](N)CO D75091 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.3 NC[C@H](N)CO D75092 [0,1,0,0,0,0|1,0,0]=2 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|2,0,1]=4 34 B5R0.3 OC[C@H](O)CF AT22386 [0,1,0,0,0,0|2,0,0]=3 35 B5R1.2 C[C@H]1CCN1 S11047 [0,0,0,1,0,0|0,0,0]=1 36 B5R1.2 SC1CCC1 AT12396 [0,0,0,1,0,0|1,0,0]=2 37 B5R1.2 [18F]C1CNC1 AT24717 [0,0,0,1,0,0|2,0,0]=3 38 B5R1.4 CC1CC1Br AT22556 [0,0,0,1,0,0|1,0,0]=2 39 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [0,0,0,1,0,0|0,0,0]=1 40 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [0,0,0,1,0,0|0,0,0]=1 41 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [0,0,0,1,0,0|0,0,0]=1 42 B5R1.4 FC1CC1Br CS2874 [0,0,0,1,0,0|2,0,0]=3 43 B5R1.4 NC1CC1F P19355 [0,0,0,1,0,0|1,0,0]=2 44 B5R1.4 NC1CC1N AC7084 [0,0,0,1,0,0|1,0,0]=2 45 B5R1.4 NC1CC1O 92033 [0,0,0,1,0,0|1,0,0]=2 46 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [0,0,0,1,0,0|1,0,0]=2 47 B5R1.4 N[C@H]1C[C@H]1N AT11451 [0,0,0,1,0,0|1,0,0]=2 48 B2R0.1 [13CH3][13CH2]O 41411 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.1 C#C[C@H](C)N D86216 [1,1,0,0,0,0|0,0,2]=4 50 B4R0.1 C[C@H](N)C#N 96734 [1,1,0,0,0,0|0,0,2]=4 51 B4R0.1 NC(=S)CO D75093 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.1 [2H][C@@H](C)CO D98056 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.1 C#CC[C@H](O)CO D74768 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.1 C=CC[C@H](N)CF AT24441 [0,2,0,0,0,0|0,0,2]=4 55 B6R0.1 C=CC[C@H](O)CN AT10909 [0,2,0,0,0,0|0,0,1]=3 56 B6R0.1 C=CC[C@H](O)CN AT10910 [0,2,0,0,0,0|0,0,1]=3 57 B6R0.1 CCC[C@H](N)CF AC5307 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.1 CCC[C@H](N)CF AC7092 [0,2,0,0,0,0|0,0,0]=2 59 B6R0.1 CC[C@H](N)CCO AT14304 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.1 CC[C@H](N)CCO AT22343 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.1 CC[C@H](N)CCO AT22346 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.1 CC[C@H](O)CON AT14514 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.1 CNC[C@H](O)CF AT22540 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.1 COCC(=O)CBr AT12825 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.1 COC[C@@H](F)CN P20360 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.1 COC[C@@H](N)CO 91278 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.1 COC[C@@H](N)CO D75105 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.1 COC[C@@H](N)CO D75106 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.1 NCCC(=O)NO AT14832 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.1 N[C@H](CF)CCO AT24448 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 N[C@H](CO)CCF E72842 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.1 N[C@H](CO)CCO D75100 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.1 OCC[C@H](O)CCl AT21895 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.2 CC(N)CC(C)O AT23544 [0,2,0,0,0,0|0,0,0]=2 75 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.3 CC(C)[C@@H](F)CO AT16234 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.3 CC(C)[C@@H](N)CF AC4773 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.3 CC(C)[C@@H](N)CF AC5313 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.3 CC(C)[C@@H](N)CF AC7091 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.3 CC(C)[C@@H](N)CO AT21568 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.3 NC[C@H](F)C(=O)O 94834 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.3 NC[C@H](F)C(=O)O 94835 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.3 N[C@@H](CO)C(F)F 92934 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.3 N[C@@H](CO)C(F)F 92936 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.3 N[C@@H](CO)C(F)F C93218 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.3 N[C@@H](CO)C(F)F C93220 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.3 OC[C@H](O)C(F)F AT21961 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.4 CC#CC[C@H](C)N AT21841 [0,2,0,0,0,0|0,0,1]=3 91 B6R0.4 CC(=O)CCCN C77428 [0,2,0,0,0,0|0,0,0]=2 92 B6R0.4 CCNCC(F)F AT23781 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.4 CNCCC(F)F AT22541 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.4 FC(F)OCCBr AT14902 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.4 NCCCC(F)F D75977 [0,2,0,0,0,0|0,0,0]=2 96 B6R0.4 NCCOC(F)F AT12486 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.4 NCCSC(F)F AT25569 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.4 OCCOC(F)F 89958 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.5 C#CCC(C)(C)C AT23213 [0,2,0,0,0,0|1,0,1]=4 100 B6R0.5 CC(C)(F)CCN P14068 [0,2,0,0,0,0|0,0,0]=2 101 B6R0.5 CC(C)(F)CCO AT22034 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.5 CC(C)(O)CCCl D86387 [0,2,0,0,0,0|1,0,0]=3 103 B6R0.5 CC(C)(O)CON D75282 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.5 CC(F)(F)CC#N AT12471 [0,2,0,0,0,0|0,0,2]=4 105 B6R0.5 CC(F)(F)CCBr E73229 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.5 CCC[B-](F)(F)F E72805 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.5 [2H]C([2H])(O)CCC D98200 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.6 C#CCNCCBr D73839 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.6 COCOCCN AC9200 [0,2,0,0,0,0|0,0,0]=2 110 B6R0.6 CSCCN=C=O AT25543 [0,2,0,0,0,0|1,0,1]=4 111 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [0,2,0,0,0,0|1,0,0]=3 112 B6R0.6 NCCOCCS AT12749 [0,2,0,0,0,0|0,0,0]=2 113 B6R0.6 NNCCCCO AB9420 [0,2,0,0,0,0|0,0,0]=2 114 B6R0.6 O=CNCCCF AT22548 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.8 CC(C)(C#N)CN D86232 [0,2,0,0,0,0|1,0,1]=4 116 B6R0.8 CC(C)(CO)CF AT13782 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.8 CCC(C)(C)NN W10660 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.8 CCC(F)(F)CBr E73059 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.8 CCC(F)(F)CO C90212 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.8 CCS(=N)(=O)CC AT25733 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.8 [2H]C([2H])(CN)CN D98045 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.8 [2H]C([2H])(CN)CN D99590 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.9 NCC(CO)CO AT26702 [0,2,0,0,0,0|1,0,0]=3 124 B4R1.2 SC1CC1 C91321 [1,0,0,1,0,0|1,0,0]=3 125 B6R1.2 Br[C@H]1CCNC1 D87521 [0,1,0,1,0,0|0,0,0]=2 126 B6R1.2 CC1=NNCC1 D76466 [0,1,0,1,0,0|0,0,1]=3 127 B6R1.2 CN1CC=CC1 A10777 [0,1,0,1,0,0|0,0,2]=4 128 B6R1.3 NCCN1CC1 P18027 [0,1,0,1,0,0|0,0,0]=2 129 B6R1.3 OCC[C@H]1CO1 D72936 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.3 OCC[C@H]1CO1 D74321 [0,1,0,1,0,0|1,0,0]=3 131 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [0,1,0,1,0,0|1,0,0]=3 132 B6R1.5 NC1CC(N)C1 AT13082 [0,1,0,1,0,0|0,0,0]=2 133 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [0,1,0,1,0,0|0,0,0]=2 134 B6R1.5 O=C1C[C@H](F)N1 D72810 [0,1,0,1,0,0|1,0,1]=4 135 B6R1.5 OC1CC(Br)C1 AT17315 [0,1,0,1,0,0|1,0,0]=3 136 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [0,1,0,1,0,0|1,0,0]=3 137 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [0,1,0,1,0,0|1,0,0]=3 138 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [0,1,0,1,0,0|1,0,0]=3 139 B6R1.8 CC1CC1CN E73335 [0,1,0,1,0,0|0,0,0]=2 140 B6R1.8 COC1CC1N 92032 [0,1,0,1,0,0|0,0,0]=2 141 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,1,0,1,0,0|0,0,0]=2 142 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,1,0,1,0,0|0,0,0]=2 143 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,1,0,1,0,0|1,0,0]=3 144 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,1,0,1,0,0|1,0,0]=3 145 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,1,0,1,0,0|1,0,0]=3 146 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,1,0,1,0,0|1,0,0]=3 147 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,1,0,1,0,0|0,0,0]=2 148 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,1,0,1,0,0|1,0,0]=3 149 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.8 N#C[C@H]1C[C@@H]1F CS3438 [0,1,0,1,0,0|0,0,2]=4 151 B6R1.8 N#C[C@H]1C[C@@H]1F CS3441 [0,1,0,1,0,0|0,0,2]=4 152 B6R1.8 NC1CC1CF AT23905 [0,1,0,1,0,0|0,0,0]=2 153 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,1,0,1,0,0|0,0,0]=2 154 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,1,0,1,0,0|0,0,0]=2 155 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,1,0,1,0,0|0,0,0]=2 156 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,1,0,1,0,0|0,0,0]=2 157 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,1,0,1,0,0|0,0,0]=2 158 B6R1.8 O=CC1CC1Cl C77400 [0,1,0,1,0,0|1,0,1]=4 159 B6R1.8 OCC1CC1Cl AT20161 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,1,0,1,0,0|1,0,0]=3 161 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,1,0,1,0,0|1,0,0]=3 162 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,1,0,1,0,0|1,0,0]=3 164 B6R1.9 CC1(C)C[C@@H]1O P19509 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.9 O[C@H]1CC1(F)F F17971 [0,1,0,1,0,0|2,0,0]=4 166 B6R1.10 CC1(C)CCN1 AT11216 [0,1,0,1,0,0|0,0,0]=2 167 B6R1.10 CC1(N)CSC1 P12309 [0,1,0,1,0,0|1,0,0]=3 168 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [0,1,0,1,0,0|1,0,0]=3 169 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [0,1,0,1,0,0|1,0,0]=3 170 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [0,1,0,1,0,0|2,0,0]=4 171 B6R1.4 CC1CCC1N AT10478 [0,1,0,1,0,0|0,0,0]=2 172 B6R1.4 CC1CCC1O AC8042 [0,1,0,1,0,0|1,0,0]=3 173 B6R1.4 CC1CNC1C E72893 [0,1,0,1,0,0|0,0,0]=2 174 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,1,0,1,0,0|0,0,0]=2 175 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,1,0,1,0,0|0,0,0]=2 176 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,1,0,1,0,0|0,0,0]=2 177 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,1,0,1,0,0|0,0,0]=2 178 B6R1.4 NN1CCC1=O 33382 [0,1,0,1,0,0|1,0,1]=4 179 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [0,1,0,1,0,0|0,0,0]=2 180 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [0,1,0,1,0,0|0,0,0]=2 181 B6R1.4 N[C@H]1CCC1=O AT24523 [0,1,0,1,0,0|0,0,1]=3 182 B6R1.4 N[C@H]1CNC1=O P16451 [0,1,0,1,0,0|1,0,1]=4 183 B6R1.4 N[C@H]1CNC1=O P18336 [0,1,0,1,0,0|1,0,1]=4 184 B6R1.4 O=C1CC[C@@H]1O 94997 [0,1,0,1,0,0|1,0,1]=4 185 B6R1.4 O=C1NC[C@@H]1O D77141 [0,1,0,1,0,0|1,0,1]=4 186 B6R1.6 C=CC1CNC1 AT25649 [0,1,0,1,0,0|0,0,2]=4 187 B6R1.6 CNC1COC1 20485 [0,1,0,1,0,0|1,0,0]=3 188 B6R1.6 CNC1CSC1 AT25559 [0,1,0,1,0,0|1,0,0]=3 189 B6R1.6 FC[C@H]1CCN1 P12566 [0,1,0,1,0,0|0,0,0]=2 190 B6R1.6 FC[C@H]1CCN1 P13956 [0,1,0,1,0,0|0,0,0]=2 191 B6R1.6 FC[C@H]1CCN1 P14908 [0,1,0,1,0,0|0,0,0]=2 192 B6R1.6 N#C[C@@H]1CCN1 P14910 [0,1,0,1,0,0|0,0,1]=3 193 B6R1.6 N#C[C@@H]1CCN1 P14911 [0,1,0,1,0,0|0,0,1]=3 194 B6R1.6 N#C[C@@H]1CCN1 P15768 [0,1,0,1,0,0|0,0,1]=3 195 B6R1.6 NOC1CCC1 97654 [0,1,0,1,0,0|0,0,0]=2 196 B6R1.6 O=CC1CSC1 AT24592 [0,1,0,1,0,0|1,0,1]=4 197 B6R1.6 OCC1CSC1 P14098 [0,1,0,1,0,0|1,0,0]=3 198 B6R1.7 C#CC1(C)CC1 C93202 [0,1,0,1,0,0|1,0,1]=4 199 B6R1.7 CC1(C=O)CC1 90939 [0,1,0,1,0,0|1,0,1]=4 200 B6R1.7 OCC1(Br)CC1 AT25121 [0,1,0,1,0,0|1,0,0]=3 201 B6R1.7 [2H][C@]1(CCl)CO1 D99350 [0,1,0,1,0,0|2,0,0]=4