0 B6R0.3 C#C[C@@H](N)C(=O)O F30985 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C#C[C@@H](N)C(=O)O F30986 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C#C[C@@H](N)C(=O)O F30987 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 C#C[C@@H](O)C(=O)O T72410 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.3 NC[C@H](F)C(=O)O 94834 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 NC[C@H](F)C(=O)O 94835 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CCSC(=S)[S-] 78627 [1,0,0,0,0,0|1,2,0]=4 12 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 COCC(=N)N D87837 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.3 CC[C@H](F)CN D76437 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CC[C@H](N)CF AC5314 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 CC[C@H](O)CN D72871 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 C[C@@H](CN)CO 70250 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 NC[C@H](F)CO AT21905 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 NC[C@H](N)CO D75091 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 NC[C@H](N)CO D75092 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 N[C@@H](CO)CF D75094 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 OC[C@H](O)CF AT22386 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.5 CC(=O)[C@H](C)N 91521 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.5 CC(C)[C@H](C)N AC5874 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [0,1,0,0,0,0|0,0,1]=2 30 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.10 COC(=O)[C@@H](F)CN 94838 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.10 CON(C)C(=O)CF 78564 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.13 CC[C@](C)(O)C(=O)O D78566 [0,1,0,0,0,0|0,0,0]=1 37 B7R0.13 COC(C)(C)C(=N)N AT24381 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.13 COC(C)(C)C(=N)N AT24382 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.13 C[C@](N)(CS)C(=O)O 70246 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.13 C[C@](O)(CBr)C(=O)O 90571 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.13 C[C@](O)(CO)C(=O)O A10743 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.15 CO[C@@H](CN)C(=O)O E72815 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.15 NC[C@@H](CO)C(=O)O C91703 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.15 NC[C@@H](CO)C(=O)O FD10303 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.15 O=C(O)C(CS)CS C13040 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,1,0,0,0,0|0,0,0]=1 50 B7R1.4 CC1NCCC1O 94946 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.4 CC1NCCC1O AT22499 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,0,0]=2 57 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 C[C@H]1CONC1=O D73580 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.4 O=C1CCNC1=O AT24684 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.12 CC1CC1B(O)O AT22555 [0,0,0,1,0,0|1,0,1]=3 64 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,1,0,0|0,0,0]=1 65 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,1,0,0|0,0,0]=1 66 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.18 CC(=O)C1CNC1 C14559 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.18 NC(=O)N1CCC1 D77052 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.18 O=C(Cl)C1COC1 AT24224 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.18 O=[S@](O)C1CCC1 AT20162 [0,0,0,1,0,0|1,0,0]=2 75 B7R1.19 CC(=O)C1(Br)CC1 52421 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.19 C[C@@]1(C(=O)O)CO1 C90594 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.19 C[C@H](N)C1(C)CC1 D77547 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.19 NC(=O)C1(O)CC1 D74326 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.19 O=C(O)C1(I)CC1 E70160 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.27 CC[C@]1(C)ON1C C11698 [0,0,0,1,0,0|2,0,0]=3 81 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,0,0,0,0,1|1,0,0]=2 82 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,0,0,0,0,1|2,0,0]=3 83 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,0,0,0,0,1|2,0,0]=3 84 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,0,0,0,0,1|2,0,0]=3 85 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,0,0,0,0,1|2,0,0]=3 86 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.1 NCCC(=O)NO AT14832 [1,1,0,0,0,0|1,0,0]=3 90 B6R0.2 C=C(I)CC(=O)O E73427 [1,1,0,0,0,0|0,0,2]=4 91 B6R0.2 CC(N)CC(C)O AT23544 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.4 NCC#CC(=O)O AT20731 [1,1,0,0,0,0|0,0,2]=4 94 B6R0.4 NC\C=C/C(=O)O AT20734 [1,1,0,0,0,0|0,0,2]=4 95 B6R0.4 NC\C=C\C(=O)O AT20733 [1,1,0,0,0,0|0,0,2]=4 96 B6R0.4 O=C(O)C#CCCl D85992 [1,1,0,0,0,0|0,0,2]=4 97 B6R0.5 [2H]C([2H])(O)CCC D98200 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.8 C=C[C@@](C)(N)CO D75096 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.8 CC(C)(CO)CF AT13782 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.8 CCC(C)(C)NN W10660 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.8 CCC(F)(F)CO C90212 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.9 NCC(CO)CO AT26702 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.7 CC(C)(C)B(O)O AT22191 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.7 O=C(O)C(F)(F)F 98164 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.7 O=C(O)C(F)(F)F AT22547 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [1,1,0,0,0,0|1,0,0]=3 108 B6R0.7 [2H][C@@](C)(O)C(=O)[O-] D99583 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,1,0,0,0,1|0,0,0]=2 110 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,1,0,0,0,1|0,0,0]=2 111 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,1,0,0,0,1|1,0,0]=3 112 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,1,0,0,0,1|1,0,0]=3 113 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,1,0,0,0,1|1,0,0]=3 114 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,1,0,0,0,1|1,0,0]=3 115 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24419 [0,1,0,0,0,1|2,0,0]=4 116 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24420 [0,1,0,0,0,1|2,0,0]=4 117 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24421 [0,1,0,0,0,1|2,0,0]=4 118 B8R0.34 CC(=O)OC(C)(C)CO C90621 [0,1,0,0,0,1|2,0,0]=4 119 B8R0.34 NCC(F)(F)CC(=O)O E72810 [0,1,0,0,0,1|2,0,0]=4 120 B8R0.3 C#CC[C@H](N)C(=O)OC AT23617 [0,2,0,0,0,0|1,0,1]=4 121 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|0,0,0]=2 122 B8R0.8 C#CCC[C@H](N)C(=O)O C70033 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [0,2,0,0,0,0|1,0,0]=3 125 B8R0.12 CCC[C@](C)(N)C(=O)O AT19790 [0,2,0,0,0,0|0,0,0]=2 126 B8R0.13 COC(=O)C(F)(F)CN AT15559 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.13 COC(=O)[C@@](C)(N)CN F51570 [0,2,0,0,0,0|1,0,0]=3 128 B8R0.13 COC(=O)[C@@](C)(N)CN F51937 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.13 COC(=O)[C@@](C)(N)CO AT18253 [0,2,0,0,0,0|1,0,0]=3 130 B8R0.37 CC(C)(C(=O)O)C(F)F AT13772 [0,2,0,0,0,0|1,0,0]=3 131 B8R0.37 CC(O)(C(=O)O)C(=O)O AT23393 [0,2,0,0,0,0|1,0,1]=4 132 B8R0.37 CC(O)C(C)(N)C(=O)O AT25333 [0,2,0,0,0,0|0,0,0]=2 133 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O CX1253 [0,2,0,0,0,0|0,0,0]=2 134 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O D75477 [0,2,0,0,0,0|0,0,0]=2 135 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25345 [0,2,0,0,0,0|0,0,0]=2 136 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25346 [0,2,0,0,0,0|0,0,0]=2 137 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D99110 [0,2,0,0,0,0|1,0,0]=3 138 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.5 O=C1C[C@H](F)N1 D72810 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.5 OC1=C[C@@H](F)C1 F18634 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.4 CC1CCC1N AT10478 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.4 CC1CCC1O AC8042 [1,0,0,1,0,0|0,0,1]=3 144 B6R1.4 CC1CNC1C E72893 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.4 NN1CCC1=O 33382 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [1,0,0,1,0,0|1,0,1]=4 147 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.4 N[C@H]1CCC1=O AT24523 [1,0,0,1,0,0|1,0,0]=3 149 B6R1.4 N[C@H]1CNC1=O P16451 [1,0,0,1,0,0|2,0,0]=4 150 B6R1.4 N[C@H]1CNC1=O P18336 [1,0,0,1,0,0|2,0,0]=4 151 B6R1.4 O=C1CC[C@@H]1O 94997 [1,0,0,1,0,0|1,0,0]=3 152 B6R1.4 O=C1NC[C@@H]1O D77141 [1,0,0,1,0,0|2,0,0]=4 153 B6R1.6 C=CC1CNC1 AT25649 [1,0,0,1,0,0|2,0,0]=4 154 B6R1.6 CNC1COC1 20485 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.6 NOC1CCC1 97654 [1,0,0,1,0,0|2,0,0]=4 156 B6R1.6 O=CC1CSC1 AT24592 [1,0,0,1,0,0|1,0,0]=3 157 B6R1.6 OCC1CSC1 P14098 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.7 C#CC1(C)CC1 C93202 [1,0,0,1,0,0|1,0,1]=4 159 B6R1.7 CC1(C=O)CC1 90939 [1,0,0,1,0,0|0,0,0]=2 160 B6R1.7 OCC1(Br)CC1 AT25121 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,0,0,1,0,1|2,0,0]=4 162 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,0,0,1,0,1|2,0,0]=4 163 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,0,0,1,0,1|2,0,0]=4 164 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,0,0,1,0,1|1,0,0]=3 165 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,0,0,1,0,1|2,0,0]=4 166 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,0,0,1,0,1|2,0,0]=4 167 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,0,0,1,0,1|2,0,0]=4 168 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,0,0,1,0,1|2,0,0]=4 169 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,1,0,1|2,0,0]=4 170 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,0,0,1,0,1|1,1,0]=4 171 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,0,0,1,0,1|2,0,0]=4 172 B8R1.20 CC1CC1CC(=O)O E72880 [0,0,0,1,0,1|0,0,0]=2 173 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,0,0,1,0,1|2,0,0]=4 174 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,0,0,1,0,1|2,0,0]=4 175 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,0,0,1,0,1|2,0,0]=4 176 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,0,0,1,0,1|1,0,0]=3 177 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,0,0,1,0,1|1,0,0]=3 178 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,0,0,1,0,1|1,0,0]=3 179 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,0,0,1,0,1|1,0,0]=3 180 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,0,0,1,0,1|2,0,0]=4 181 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,0,0,1,0,1|2,0,0]=4 182 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,0,0,1,0,1|2,0,0]=4 183 B8R1.31 O=C(O)C1CCC1O D74978 [0,0,0,1,0,1|1,0,0]=3 184 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [0,0,0,1,0,1|1,0,1]=4 185 B8R1.34 O=C(O)CN1CCC1 D96863 [0,0,0,1,0,1|1,0,0]=3 186 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,0,0,1,0,1|1,0,0]=3 187 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,0,0,1,0,1|1,0,0]=3 188 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,0,0,1,0,1|0,0,0]=2 189 B8R1.42 CC1(CC(=O)O)N=N1 AT14501 [0,0,0,1,0,1|2,0,0]=4 190 B8R1.42 NC1(CC(=O)O)CC1 F30393 [0,0,0,1,0,1|1,0,0]=3 191 B8R1.43 C#CC1CC1C(=O)O D73586 [0,0,0,1,0,1|0,0,2]=4 192 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O AT22711 [0,0,0,1,0,1|0,0,2]=4 193 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,0,0,1,0,1|0,0,0]=2 194 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,0,0,1,0,1|0,0,0]=2 195 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,0,0,1,0,1|0,0,0]=2 196 B8R1.43 COC1CC1C(=O)O C77471 [0,0,0,1,0,1|1,0,0]=3 197 B8R1.43 NCC1CC1C(=O)O P17932 [0,0,0,1,0,1|1,0,0]=3 198 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,0,0,1,0,1|1,0,0]=3 199 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,0,0,1,0,1|1,0,0]=3 200 B8R1.43 O=C(O)C1CC1CO D75978 [0,0,0,1,0,1|1,0,0]=3 201 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,0,0,1,0,1|1,0,0]=3 202 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,0,0,1,0,1|1,0,0]=3 203 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,0,0,1,0,1|1,0,0]=3 204 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,0,0,1,0,1|1,0,0]=3 205 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,0,0,1,0,1|1,0,0]=3 206 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,0,0,1,0,1|1,0,0]=3 207 B8R1.51 C[C@H]1CCS(=O)(=O)N1 AT12410 [0,0,0,1,0,1|1,0,1]=4 208 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.5 C[C@@H]1OCCN[C@@H]1C 90059 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.5 C[C@@H]1OCCN[C@@H]1C W15992 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.5 N[C@H]1COCCC1=O E73090 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.7 CC(O)C1CCOC1 AT21453 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,1,0,1,0,0|0,0,1]=3 221 B8R1.7 O=C(O)[C@@H]1CCNN1 AT21725 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.19 C[C@H]1CCNS1(=O)=O AT12412 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.19 C[C@]1(N)CCNC1=O AT19090 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.19 C[C@]1(N)CONC1=O D73598 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.19 C[C@]1(O)CCNC1=O 94941 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,1,0,1,0,0|0,0,0]=2 228 B8R1.23 NC(=O)N1CC(N)C1 AT23063 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.23 NC(=O)N1CC(O)C1 AT23068 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 W15876 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.23 O=C1C[C@@H](C(=O)O)O1 P17181 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|0,0,0]=2 233 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.11 CN[C@H]1CCNC1=O AT19094 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.11 O=C1CCCN1CO D86008 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|0,0,2]=4 240 B8R1.38 N[C@@H](CO)C1CCC1 N11335 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.39 CC1(C(=O)CBr)CC1 AT13305 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.50 CN1CC[C@H](N)C1=O P18866 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.58 C[C@]1(CN)CNC1=O P14354 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.63 O=C(O)C1(CF)CC1 AC3641 [0,1,0,1,0,0|0,0,0]=2 254 B8R1.63 O=CC1(C(=O)O)CC1 AT12375 [0,1,0,1,0,0|0,0,1]=3 255 B8R1.21 CC1CC1S(=O)(=O)F AT20658 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.21 C[C@H]1C[C@@H]1S(=O)(=O)Cl AT12610 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.55 O=S(=O)(F)C1CCC1 AT20662 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.70 CC1(S(=O)(=O)F)CC1 AT20659 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.77 CC(=O)[C@H]1CC1(F)F AT23960 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.77 CC1(C)C[C@@H]1B(O)O P18013 [0,1,0,1,0,0|1,0,1]=4 261 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|1,0,0]=3 262 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,0]=3 263 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,0]=3 264 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|0,0,0]=2 265 B8R2.1 C1CC([C@@H]2CO2)C1 AT11479 [0,0,0,2,0,0|1,0,1]=4 266 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,0,0,0,0,2|2,0,0]=4