0 B5R0.3 C#C[C@@H](N)CO F30989 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.3 C#C[C@@H](O)CN F30338 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CC[C@H](F)CN D76437 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CC[C@H](N)CF AC5314 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CC[C@H](O)CN D72871 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 C[C@@H](CN)CO 70250 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.3 NC[C@H](F)CO AT21905 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 NC[C@H](N)CO D75091 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 NC[C@H](N)CO D75092 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 N[C@@H](CO)CF D75094 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 O=C(CO)CBr AC6051 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 OC[C@H](O)CF AT22386 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 C#C[C@H](C)N D86216 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C[C@H](N)C#N 96734 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 NC(=S)CO D75093 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 [2H][C@@H](C)CO D98056 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.2 NOCCF AT14503 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 C#CC[C@H](O)CO D74768 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.1 C=CC[C@H](N)CF AT24441 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 C=CC[C@H](O)CN AT10909 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 C=CC[C@H](O)CN AT10910 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 CCC[C@H](N)CF AC5307 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.1 CCC[C@H](N)CF AC7092 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.1 CC[C@H](N)CCO AT14304 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.1 CC[C@H](N)CCO AT22343 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.1 CC[C@H](N)CCO AT22346 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.1 CC[C@H](O)CON AT14514 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.1 CNC[C@H](O)CF AT22540 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 COCC(=O)CBr AT12825 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 COC[C@@H](F)CN P20360 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 COC[C@@H](N)CO 91278 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.1 COC[C@@H](N)CO D75105 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.1 COC[C@@H](N)CO D75106 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.1 NCCC(=O)NO AT14832 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 N[C@H](CF)CCO AT24448 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.1 N[C@H](CO)CCF E72842 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.1 N[C@H](CO)CCO D75100 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.1 OCC[C@H](O)CCl AT21895 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [0,1,0,0,0,0|0,0,2]=3 39 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.3 CC(C)[C@@H](F)CO AT16234 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 CC(C)[C@@H](N)CF AC4773 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CC(C)[C@@H](N)CF AC5313 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 CC(C)[C@@H](N)CF AC7091 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 CC(C)[C@@H](N)CO AT21568 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.3 C[C@H](O)C(=N)NO AT25257 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 NC[C@H](F)C(=O)O 94834 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 NC[C@H](F)C(=O)O 94835 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 N[C@@H](CO)C(F)F 92934 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.3 N[C@@H](CO)C(F)F 92936 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 N[C@@H](CO)C(F)F C93218 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.3 N[C@@H](CO)C(F)F C93220 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 OC[C@H](O)C(F)F AT21961 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.8 C=C[C@@](C)(N)CO D75096 [0,1,0,0,0,0|0,0,2]=3 57 B6R0.8 CC(C)(C#N)CN D86232 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.8 CC(C)(CO)CF AT13782 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.8 CCC(C)(C)NN W10660 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.8 CCC(F)(F)CBr E73059 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.8 CCC(F)(F)CO C90212 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.8 CCS(=N)(=O)CC AT25733 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.8 C[C@@](N)(C#N)CO D75095 [0,1,0,0,0,0|1,0,1]=3 64 B6R0.8 [2H]C([2H])(CN)CN D98045 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.8 [2H]C([2H])(CN)CN D99590 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.9 NCC(CO)CO AT26702 [0,1,0,0,0,0|1,0,0]=2 67 B6R1.2 Br[C@H]1CCNC1 D87521 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.2 CC1=NNCC1 D76466 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 CN1CC=CC1 A10777 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.4 CC1CCC1N AT10478 [0,0,0,1,0,0|1,0,0]=2 71 B6R1.4 CC1CCC1O AC8042 [0,0,0,1,0,0|0,0,0]=1 72 B6R1.4 CC1CNC1C E72893 [0,0,0,1,0,0|1,0,0]=2 73 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [0,0,0,1,0,0|1,0,0]=2 78 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [0,0,0,1,0,0|1,0,0]=2 79 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,1,0,0|1,0,2]=4 80 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,1,0,0|1,0,1]=3 81 B6R1.4 O=C1NC[C@@H]1O D77141 [0,0,0,1,0,0|2,0,1]=4 82 B6R1.6 C=CC1CNC1 AT25649 [0,0,0,1,0,0|1,0,2]=4 83 B6R1.6 CNC1COC1 20485 [0,0,0,1,0,0|1,0,0]=2 84 B6R1.6 CNC1CSC1 AT25559 [0,0,0,1,0,0|1,1,0]=3 85 B6R1.6 FC[C@H]1CCN1 P12566 [0,0,0,1,0,0|2,0,0]=3 86 B6R1.6 FC[C@H]1CCN1 P13956 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.6 FC[C@H]1CCN1 P14908 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.6 N#C[C@@H]1CCN1 P14910 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.6 N#C[C@@H]1CCN1 P14911 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.6 N#C[C@@H]1CCN1 P15768 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.6 NOC1CCC1 97654 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.6 O=CC1CSC1 AT24592 [0,0,0,1,0,0|1,0,2]=4 93 B6R1.6 OCC1CSC1 P14098 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.7 C#CC1(C)CC1 C93202 [0,0,0,1,0,0|1,0,1]=3 95 B6R1.7 CC1(C=O)CC1 90939 [0,0,0,1,0,0|0,0,2]=3 96 B6R1.7 OCC1(Br)CC1 AT25121 [0,0,0,1,0,0|1,0,0]=2 97 B6R1.7 [2H][C@]1(CCl)CO1 D99350 [0,0,0,1,0,0|2,0,0]=3 98 B6R1.8 CC1CC1CN E73335 [0,0,0,1,0,0|1,0,0]=2 99 B6R1.8 COC1CC1N 92032 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,0,0,1,0,0|2,0,0]=3 101 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,0,0,1,0,0|0,0,2]=3 103 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,0,0,1,0,0|1,0,0]=2 104 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,0,0,1,0,0|1,0,0]=2 105 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,0,0,1,0,0|1,0,0]=2 106 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,0,0,1,0,0|0,0,0]=1 108 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,0,0,1,0,0|0,0,0]=1 109 B6R1.8 N#C[C@H]1C[C@@H]1F CS3438 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.8 N#C[C@H]1C[C@@H]1F CS3441 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.8 NC1CC1CF AT23905 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.8 O=CC1CC1Cl C77400 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.8 OCC1CC1Cl AT20161 [0,0,0,1,0,0|1,0,0]=2 119 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,0,0,1,0,0|1,0,0]=2 120 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,0,0,1,0,0|1,0,0]=2 121 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,0,0,1,0,0|1,0,0]=2 122 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,0,0,1,0,0|1,0,0]=2 123 B3R0.1 N[13CH2][13CH2]N D98346 [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 [2H]CCI D99684 [2,0,0,0,0,0|2,0,0]=4 125 B3R0.1 [2H]CCO D98012 [2,0,0,0,0,0|1,0,0]=3 126 B3R0.2 [13CH3][13C](=O)O 41419 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 BrCCC(Br)Br AT23421 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.1 CNC[C@H](C)O C77457 [1,1,0,0,0,0|0,0,0]=2 129 B5R0.1 C[C@H](F)CCN D76461 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.1 C[C@H](N)CCF AT11794 [1,1,0,0,0,0|1,0,0]=3 131 B5R0.1 C[C@H](O)CCN D77178 [1,1,0,0,0,0|0,0,0]=2 132 B5R0.1 C[S@](=O)CCN AT24515 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.1 FC(F)CCBr AT23420 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.4 CC(C)(F)C#N D86389 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.4 CC(C)(F)CN F53132 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.4 [2H]C([2H])(Cl)CC D98751 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.5 CC(=O)[C@H](C)N 91521 [1,1,0,0,0,0|0,0,2]=4 138 B5R0.5 CC(C)[C@H](C)N AC5874 [1,1,0,0,0,0|0,0,0]=2 139 B5R0.5 C[C@H](N)C(F)F AT11795 [1,1,0,0,0,0|2,0,0]=4 140 B5R0.5 C[C@H](N)C(F)F AT11796 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.5 C[C@H](N)C(F)F AT11797 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [1,1,0,0,0,0|0,0,0]=2 143 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.2 CCNCCS AT25561 [1,1,0,0,0,0|0,1,0]=3 145 B5R0.2 CCOCC=O AT18655 [1,1,0,0,0,0|0,0,2]=4 146 B5R0.2 CNCCCF AT22549 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.2 CSSCCN AT25568 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.2 NCCCCF D75976 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.2 NCCCCS AT25915 [1,1,0,0,0,0|0,1,0]=3 150 B5R0.2 O=CCCCBr AT24507 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.2 [C-]#[N+]CCSC AT25542 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.2 C[C@@H](CN)OC(F)F AT14877 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.3 C=CCC[C@H](N)CO D75109 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.3 CCONC(=O)CO AT24923 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.3 C[C@H](CN)CCCO AC9867 [0,2,0,0,0,0|1,0,0]=3 162 B7R0.3 O=C(CO)NCCO D86391 [0,2,0,0,0,0|1,0,1]=4 163 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.5 N[C@@H](CCO)C(F)F AT24425 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.7 C#CC[C@H](N)COC AT12986 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.7 CCC[C@H](O)COC D77523 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.7 COCC(Cl)COC D74903 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.11 C#CCC(C)(C)CO D77144 [0,2,0,0,0,0|0,0,1]=3 171 B7R0.11 CC(C)(CO)CCN AT20761 [0,2,0,0,0,0|0,0,0]=2 172 B7R0.11 CCCC(C)(C)CO A10859 [0,2,0,0,0,0|0,0,0]=2 173 B7R0.11 CNCC(F)(F)CO AT23992 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.11 COCC(F)(F)CO AT12478 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.11 OCCC(F)(F)CO AT12562 [0,2,0,0,0,0|1,0,0]=3 176 B7R0.13 CC(C)(CI)C(F)F AT13779 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.13 CC[C@](C)(O)C(=O)O D78566 [0,2,0,0,0,0|0,0,1]=3 178 B7R0.13 C[C@](N)(CS)C(=O)O 70246 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.13 C[C@](O)(CBr)C(=O)O 90571 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.13 C[C@](O)(CO)C(=O)O A10743 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.14 CC(C)(O)[C@@H](F)CN AT19907 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.14 [2H]C([2H])([2H])[C@@H](C)CBr D97893 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.14 [2H]C([2H])([2H])[C@@H](C)CO D98631 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.14 [2H]C([2H])([2H])[C@@H](N)CO D98151 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.14 [2H]C([2H])([2H])[C@@H](O)CC D99186 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.15 CO[C@@H](CN)C(=O)O E72815 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.15 NC[C@@H](CO)C(=O)O C91703 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.15 NC[C@@H](CO)C(=O)O FD10303 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.15 O=C(O)C(CS)CS C13040 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,2,0,0,0,0|0,0,1]=3 194 B5R1.2 C[C@H]1CCN1 S11047 [1,0,0,1,0,0|1,0,0]=3 195 B5R1.2 SC1CCC1 AT12396 [1,0,0,1,0,0|0,1,0]=3 196 B5R1.2 [18F]C1CNC1 AT24717 [1,0,0,1,0,0|2,0,0]=4 197 B5R1.4 CC1CC1Br AT22556 [1,0,0,1,0,0|1,0,0]=3 198 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [1,0,0,1,0,0|1,0,0]=3 199 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [1,0,0,1,0,0|1,0,0]=3 200 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [1,0,0,1,0,0|1,0,0]=3 201 B5R1.4 FC1CC1Br CS2874 [1,0,0,1,0,0|2,0,0]=4 202 B5R1.4 NC1CC1F P19355 [1,0,0,1,0,0|2,0,0]=4 203 B5R1.4 NC1CC1N AC7084 [1,0,0,1,0,0|2,0,0]=4 204 B5R1.4 NC1CC1O 92033 [1,0,0,1,0,0|1,0,0]=3 205 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [1,0,0,1,0,0|2,0,0]=4 206 B5R1.4 N[C@H]1C[C@H]1N AT11451 [1,0,0,1,0,0|2,0,0]=4 207 B5R1.5 CC1(Br)CC1 P15914 [1,0,0,1,0,0|1,0,0]=3 208 B5R1.5 NC1(O)CC1 92035 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [0,1,0,1,0,0|1,0,1]=4 212 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,1,0,1,0,0|1,0,1]=4 213 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,1,0,1,0,0|0,0,1]=3 214 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,1,0,1,0,0|0,0,1]=3 215 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,1,0,1,0,0|1,0,0]=3 216 B7R1.1 FC[C@H]1CCCN1 P12557 [0,1,0,1,0,0|1,0,0]=3 217 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.1 NO[C@H]1CCOC1 97657 [0,1,0,1,0,0|1,0,0]=3 220 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,1,0,1,0,0|0,0,2]=4 221 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,1,0,1,0,0|0,0,2]=4 222 B7R1.1 O=C[C@H]1CCOC1 58457 [0,1,0,1,0,0|0,0,1]=3 223 B7R1.1 O=C[C@H]1CCOC1 58458 [0,1,0,1,0,0|0,0,1]=3 224 B7R1.1 OCC1=NOCC1 92945 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.1 OC[C@H]1CCON1 AT14857 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,1,0,1,0,0|1,0,0]=3 227 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,1,0,1,0,0|1,0,1]=4 228 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,1,0,1,0,0|1,0,1]=4 230 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,1,0,1,0,0|1,0,1]=4 231 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,1,0,1,0,0|1,0,1]=4 232 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,1,0,1,0,0|1,0,0]=3 236 B7R1.2 NC1CCC(F)C1 E72865 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,1,0,1,0,0|0,1,0]=3 242 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.4 CC1CNCC1N AT23640 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.4 CC1NCCC1O 94946 [0,1,0,1,0,0|0,0,0]=2 247 B7R1.4 CC1NCCC1O AT22499 [0,1,0,1,0,0|0,0,0]=2 248 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,1,0,1,0,0|0,0,0]=2 249 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,1,0,1,0,0|0,0,2]=4 250 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,1,0,1,0,0|0,0,0]=2 251 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,1,0,1,0,0|0,0,0]=2 252 B7R1.4 C[C@H]1CCNC1=O D72756 [0,1,0,1,0,0|0,0,2]=4 253 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,1,0,1,0,0|1,0,0]=3 254 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,1,0,1,0,0|1,0,0]=3 256 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,1,0,1,0,0|0,0,0]=2 257 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,1,0,1,0,0|0,0,0]=2 258 B7R1.4 C[C@H]1CONC1=O D73580 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.4 NC1COCC1F E72312 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.4 N[C@@H]1CNC[C@@H]1F D75765 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.6 NCCC1CNC1 AC9109 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.8 COC1CCC1N AT20027 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,1,0,1,0,0|1,0,0]=3 272 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,1,0,1,0,0|0,0,0]=2 276 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,1,0,1,0,0|0,0,0]=2 277 B7R1.9 C#CC1CC1CO 70206 [0,1,0,1,0,0|0,0,1]=3 278 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,1,0,1,0,0|0,0,0]=2 279 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,1,0,1,0,0|0,0,0]=2 280 B7R1.10 C#CC1CC(F)C1 94350 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.10 CC1CC(CBr)C1 57439 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.10 CC1CC(CO)C1 57437 [0,1,0,1,0,0|0,0,0]=2 283 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.10 CSC1CC(=O)C1 AT20150 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.10 CSC1CC(O)C1 AT20178 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.10 NC1CC(CO)C1 P10843 [0,1,0,1,0,0|0,0,0]=2 291 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [0,1,0,1,0,0|0,0,0]=2 292 B7R1.21 CC1(CCN)N=N1 AT11951 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.21 CC1(CCN)N=N1 D72372 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.21 COCC1(N)CC1 AT11799 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.21 COCC1(O)CC1 D72925 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.21 NC1(CCO)CC1 P12555 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.21 NCCC1(O)CC1 AT11469 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.21 O=CCC1(F)CC1 AT21838 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.22 OC[C@H](F)C1CC1 P14038 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.25 CC1(CN)CCC1 P11843 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.25 C[C@]1(CO)CCN1 P12582 [0,1,0,1,0,0|0,0,0]=2 302 B7R1.25 NC1(CF)COC1 AT13341 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.25 NC1(CO)COC1 AT13393 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.25 NCC1(F)CCC1 D72737 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.25 NCC1(N)CCC1 O10312 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.25 NCC1(N)COC1 E73118 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.25 OCC1(O)CNC1 D86070 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.25 OCC1(O)CNC1 P14053 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.27 CC[C@]1(C)ON1C C11698 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.12 CC1CC1B(O)O AT22555 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,1,0,1,0,0|0,0,1]=3 313 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,1,0,1,0,0|0,0,1]=3 314 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.17 CC1(C)CCC1=O P17178 [0,1,0,1,0,0|0,0,2]=4 317 B7R1.17 CC1(C)NC[C@@H]1F AT24724 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.17 CC1(C)NC[C@@H]1N P12469 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.17 CC1(C)NC[C@@H]1N P19365 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.17 CC1(C)OCC1=O P17179 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.17 CC1(C)SC[C@@H]1N E72936 [0,1,0,1,0,0|1,1,0]=4 322 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.18 CC(=O)C1CNC1 C14559 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.18 C[C@H](N)C1COC1 79834 [0,1,0,1,0,0|0,0,0]=2 325 B7R1.18 C[C@H](N)C1COC1 79837 [0,1,0,1,0,0|0,0,0]=2 326 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,1,0,1,0,0|1,0,0]=3 327 B7R1.18 O=C(Cl)C1COC1 AT24224 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.18 O=[S@](O)C1CCC1 AT20162 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.19 C[C@@]1(C(=O)O)CO1 C90594 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.19 C[C@H](N)C1(C)CC1 D77547 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.19 O=C(O)C1(I)CC1 E70160 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.30 C[C@H]1[C@H](N)C1(F)F AT11705 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.14 CC1(C)C=CCC1 AC8462 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,1,0,1,0,0|1,0,0]=3 337 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,1,0,1,0,0|1,0,0]=3 338 B7R1.29 COC1(C#N)CC1 D74319 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.29 COC1(C=O)CC1 D74324 [0,1,0,1,0,0|0,0,2]=4 340 B7R1.29 COC1(CN)CC1 D72740 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.29 CSC1(CN)CC1 AT25544 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.29 NCC1(CN)CC1 87293 [0,1,0,1,0,0|1,0,0]=3 343 B7R2.11 C1NC2CC1C2 P12110 [0,0,0,2,0,0|1,0,0]=3 344 B7R2.13 C1CC2NC2C1 AT21516 [0,0,0,2,0,0|2,0,0]=4 345 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [0,0,0,2,0,0|1,0,0]=3 346 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [0,0,0,2,0,0|1,0,0]=3 347 B7R2.8 NC1C2CC1C2 P12554 [0,0,0,2,0,0|1,0,0]=3 348 B7R2.8 NC1C2CC1C2 P14605 [0,0,0,2,0,0|1,0,0]=3 349 B7R2.16 C1CC2(CC2)N1 AT24287 [0,0,0,2,0,0|2,0,0]=4 350 B7R2.3 N[C@H]1CC12CC2 AT11454 [0,0,0,2,0,0|1,0,0]=3