0 B5R0.3 C(C(=O)CCl)Cl CHM [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C(C(=O)CO)O 2HA [0,0,0,0,0,0|0,0,2]=2 2 B5R0.3 C(C(C=O)O)O GXV [0,0,0,0,0,0|0,0,2]=2 3 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C(C(CO)N)O SEL [0,0,0,0,0,0|1,0,0]=1 5 B5R0.3 C(C(CO)O)O CRY [0,0,0,0,0,0|0,0,0]=0 6 B5R0.3 C(C(CO)O)O GOL [0,0,0,0,0,0|0,0,0]=0 7 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,0,0,0,0,0|1,1,2]=4 10 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,0,0,0,0,0|1,0,3]=4 11 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,0,0,0,0,0|1,1,2]=4 12 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,0,0,0,0,0|1,1,2]=4 14 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,0,0,0,0,0|1,0,3]=4 15 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,0,0,0,0,0|1,1,2]=4 16 B5R0.3 C([C@H](C=O)O)O 3GR [0,0,0,0,0,0|0,0,2]=2 17 B5R0.3 C([C@H](CS)O)O SGM [0,0,0,0,0,0|0,1,0]=1 18 B5R0.3 CCC(CC)N D0M [0,0,0,0,0,0|3,0,0]=3 19 B5R0.3 CC[C@H](C)CN DCI [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CC[C@H](C)CN MBA [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 B(CC)(O)O 3QD [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 C(C(=O)O)Br BRM [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C(C(=O)O)Br BXA [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C(C(=O)O)Cl R3W [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C(C(=O)O)F FAH [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C(C(=O)O)I 04E [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C(C(=O)O)N GLY [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C(C(=O)O)N GLY_LFOH [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C(C(=O)O)O GOA [1,0,0,0,0,0|0,0,2]=3 30 B4R0.1 C(C(=O)O)S MCR [1,0,0,0,0,0|0,1,2]=4 31 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C=C(CO)Br BRP [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|0,0,2]=3 38 B4R0.1 CC(=O)NO HAE [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(=O)OO F50 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|0,0,0]=1 50 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|0,0,0]=1 51 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,0,0]=2 55 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|0,0,0]=1 56 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|0,0,0]=1 57 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|1,0,0]=2 58 B4R0.2 C(CCl)CCl 0CL [1,0,0,0,0,0|2,0,0]=3 59 B4R0.2 C(CN)CBr 4LJ [1,0,0,0,0,0|2,0,0]=3 60 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 C(CN)CO 0D8 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.2 C(CO)CCl 3CL [1,0,0,0,0,0|1,0,0]=2 63 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|0,0,0]=1 64 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|0,0,0]=1 65 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|0,1,2]=4 66 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|0,2,0]=3 67 B4R0.2 C(O)OCO 21H [1,0,0,0,0,0|1,0,0]=2 68 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|2,0,0]=3 70 B4R0.2 CCCCC LNK [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 CCCCN LYT [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|1,0,0]=2 73 B4R0.2 CCC[N+]#[C-] NPN [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|3,0,0]=4 75 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 COCCO MXE [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|2,0,1]=4 78 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,0,0,0,0|0,0,1]=2 79 B6R0.1 C([C@H](CSO)O)O SGL [0,1,0,0,0,0|0,0,0]=1 80 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|1,0,0]=2 81 B6R0.1 C\C(=C\CO)\CO 6OM [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,1,0,0,0,0|0,0,3]=4 83 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,1,0,0,0,0|1,0,1]=3 87 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,1,0,0,0,0|1,0,1]=3 88 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,1,0,0,0,0|1,0,1]=3 89 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,1,0,0,0,0|1,1,1]=4 90 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,1,0,0,0,0|1,1,1]=4 91 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,1,0,0,0,0|1,1,1]=4 92 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,1,0,0,0,0|1,1,1]=4 93 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [0,1,0,0,0,0|1,0,2]=4 95 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [0,1,0,0,0,0|1,1,1]=4 96 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [0,1,0,0,0,0|1,1,1]=4 97 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [0,1,0,0,0,0|1,1,1]=4 98 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,1,0,0,0,0|1,0,1]=3 99 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,1,0,0,0,0|1,1,1]=4 100 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [0,1,0,0,0,0|1,1,1]=4 102 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,1,0,0,0,0|1,1,1]=4 108 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,1,0,0,0,0|1,0,1]=3 109 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,1,0,0,0,0|0,0,1]=2 110 B6R0.3 C([C@H](C(O)O)O)O 03W [0,1,0,0,0,0|0,0,0]=1 111 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,1,0,0,0,0|0,0,2]=3 112 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CCC(C(=O)O)N AA3 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 CC[C@H](C(=O)O)N DBB [0,1,0,0,0,0|2,0,1]=4 119 B6R0.3 CC[C@H](C)C(=O)O SMB [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 C[C@H](CO)C(=O)O HIU [0,1,0,0,0,0|1,0,1]=3 122 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|1,1,0]=3 125 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,1,0,0,0,0|1,0,2]=4 126 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.3 N=C(/CO)\C(=O)O SRI [0,1,0,0,0,0|1,0,2]=4 129 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,1,0,0|3,0,0]=4 132 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,1,0,0|2,0,0]=3 133 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,0,0]=3 134 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 136 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,0,0]=3 137 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|0,0,0]=2 138 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|0,0,0]=2 139 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,1,0]=4 140 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,1,0]=4 141 B3R0.1 C(CS)O BME [2,0,0,0,0,0|0,1,0]=3 142 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|0,1,0]=3 143 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|0,2,0]=4 144 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|0,0,2]=4 145 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,0,2]=4 147 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,0,2]=4 148 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 149 B3R0.1 CCCC BUT [2,0,0,0,0,0|1,0,0]=3 150 B3R0.1 CCCC NBU [2,0,0,0,0,0|1,0,0]=3 151 B3R0.1 CCCC SBU [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,0]=3 153 B3R0.1 CCCO POL [2,0,0,0,0,0|0,0,0]=2 154 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,1,0]=3 155 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,0,1]=4 156 B3R0.1 CCNC ETN [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 CCOC 2ME [2,0,0,0,0,0|2,0,0]=4 158 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 C\C=N\O AXO [2,0,0,0,0,0|1,0,1]=4 160 B3R0.2 B(O)(O)O BO3 [2,0,0,0,0,0|1,0,0]=3 161 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 162 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|1,0,1]=4 163 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,0,2]=4 164 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|0,0,2]=4 165 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|0,0,2]=4 166 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|0,0,2]=4 167 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,0,0]=2 168 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,0,0]=2 169 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|2,0,0]=4 170 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,0,1]=4 171 B3R0.2 C[P@H](=O)O MPS [2,0,0,0,0,0|1,0,1]=4 172 B3R0.2 C[P@H](=O)O SOM [2,0,0,0,0,0|1,0,1]=4 173 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|2,0,0]=4 174 B3R0.2 OP(=O)O PHS [2,0,0,0,0,0|1,0,1]=4 175 B3R0.2 O[As](O)O TAS [2,0,0,0,0,0|1,0,0]=3 176 B3R0.2 O[Mo+6](=O)O OMO [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 O[SH](=O)O SFO [2,0,0,0,0,0|1,0,1]=4 178 B3R0.2 O[Sb](O)O SBO [2,0,0,0,0,0|1,0,0]=3 179 B3R0.2 O[Zn-](O)O ZH3 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 C(C(=O)O)ON AOA [1,1,0,0,0,0|0,0,2]=4 181 B5R0.1 C(CO)C(=O)O 3OH [1,1,0,0,0,0|0,0,2]=4 182 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|0,0,2]=4 183 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|1,0,0]=3 185 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|0,0,0]=2 186 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|0,0,1]=3 187 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|0,0,0]=2 188 B5R0.4 C(C(F)(F)F)O ETF [1,1,0,0,0,0|2,0,0]=4 189 B5R0.4 C(N)P(=O)(O)O PGL [1,1,0,0,0,0|2,0,0]=4 190 B5R0.4 CC(C)(C#N)O CNH [1,1,0,0,0,0|1,0,1]=4 191 B5R0.4 CC(C)(C)CN NPT [1,1,0,0,0,0|2,0,0]=4 192 B5R0.4 CC(C)(CN)N 4G6 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 B([C@H](C)N)(O)O B2A [1,1,0,0,0,0|2,0,0]=4 194 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|1,0,1]=4 196 B5R0.5 CC(C)[C@@H](C)N CDE [1,1,0,0,0,0|2,0,0]=4 197 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|0,0,2]=4 198 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,1,0,0,0,0|1,0,1]=4 199 B5R0.5 C[C@@H](C(=O)O)N ALA [1,1,0,0,0,0|1,0,1]=4 200 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,1,0,0,0,0|0,0,1]=3 202 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 C[C@@H](C(=S)O)N ALT [1,1,0,0,0,0|1,0,1]=4 204 B5R0.5 C[C@@H](C(O)O)N ALV [1,1,0,0,0,0|1,0,0]=3 205 B5R0.5 C[C@@H]([C@H](C)O)O BUD [1,1,0,0,0,0|0,0,0]=2 206 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|0,0,2]=4 207 B5R0.5 C[C@H](C(=O)O)F 4LT [1,1,0,0,0,0|1,0,1]=4 208 B5R0.5 C[C@H](C(=O)O)N DAL [1,1,0,0,0,0|1,0,1]=4 209 B5R0.5 C[C@H](C(=O)O)O DLA [1,1,0,0,0,0|0,0,1]=3 210 B5R0.5 C[C@H](C(=O)O)O LAC [1,1,0,0,0,0|0,0,1]=3 211 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [1,1,0,0,0,0|0,0,0]=2 212 B5R0.5 C[C@H]([C@H](C)O)O BU9 [1,1,0,0,0,0|0,0,0]=2 213 B5R0.5 [C@H](C(=O)O)(N)O HGY [1,1,0,0,0,0|0,0,2]=4 214 B5R0.2 C(CCN)CN PUT [1,1,0,0,0,0|2,0,0]=4 215 B5R0.2 C(CCO)CO BU1 [1,1,0,0,0,0|0,0,0]=2 216 B5R0.2 C(CCO)C[NH3+] 4HA [1,1,0,0,0,0|1,0,0]=3 217 B5R0.2 C(CN)CON XAP [1,1,0,0,0,0|1,0,0]=3 218 B5R0.2 C(CO)N=[N+]=[N-] AE9 [1,1,0,0,0,0|2,0,0]=4 219 B5R0.2 CCC/C=N\O BXO [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 CCCCC=O PTL [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 CCCCCBr 5BR [1,1,0,0,0,0|2,0,0]=4 222 B5R0.2 CCCCCC HEX [1,1,0,0,0,0|2,0,0]=4 223 B5R0.2 CCCCCCl 7CL [1,1,0,0,0,0|2,0,0]=4 224 B5R0.2 CCCCCN AML [1,1,0,0,0,0|2,0,0]=4 225 B5R0.2 CCCCCO PE9 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.2 CCCC[N+]#[C-] NBN [1,1,0,0,0,0|2,0,0]=4 227 B5R0.2 CCOCCO ETX [1,1,0,0,0,0|1,0,0]=3 228 B5R0.2 CNCCCN N3D [1,1,0,0,0,0|2,0,0]=4 229 B5R0.2 COCCOC DXE [1,1,0,0,0,0|2,0,0]=4 230 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,2,0,0,0,0|1,0,0]=3 231 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,2,0,0,0,0|1,0,0]=3 232 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,2,0,0,0,0|1,1,0]=4 233 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,2,0,0,0,0|2,0,0]=4 234 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,2,0,0,0,0|0,0,0]=2 235 B7R0.3 C=CCC[C@@H](CO)O 217 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.3 CCCC[C@@H](CO)N 2AO [0,2,0,0,0,0|2,0,0]=4 237 B7R0.3 CCCC[C@@H](CO)O 0RE [0,2,0,0,0,0|1,0,0]=3 238 B7R0.3 CCCC[C@H](CO)O 7FB [0,2,0,0,0,0|1,0,0]=3 239 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [0,2,0,0,0,0|1,0,1]=4 240 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [0,2,0,0,0,0|1,0,1]=4 241 B7R0.5 C([C@@H](C(=O)O)N)SO CEA [0,2,0,0,0,0|1,0,1]=4 242 B7R0.5 C([C@@H](C(=O)O)N)SO CSO [0,2,0,0,0,0|1,0,1]=4 243 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.7 C(C#N)C(CC#N)O 4SD [0,2,0,0,0,0|2,0,0]=4 245 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|1,0,0]=3 246 B7R0.10 C([C@@H](C(=O)CO)O)O LER [0,2,0,0,0,0|0,0,0]=2 247 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,2,0,0,0,0|0,0,0]=2 248 B7R0.10 C([C@@H]([C@H](CS)O)O)S DTT [0,2,0,0,0,0|0,1,0]=3 249 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,2,0,0,0,0|0,0,0]=2 250 B7R0.10 C([C@H]([C@@H](CS)O)O)S DTV [0,2,0,0,0,0|0,1,0]=3 251 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,2,0,0,0,0|0,0,0]=2 252 B7R0.10 C([C@H]([C@H](CS)O)O)S DTU [0,2,0,0,0,0|0,1,0]=3 253 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.13 C[C@H]([C@](C)(CN)O)O TSI [0,2,0,0,0,0|1,0,0]=3 255 B7R0.13 C[C@](CO)(C(=O)O)O 8A1 [0,2,0,0,0,0|0,0,1]=3 256 B7R0.14 C([C@H](O)P(=O)(O)O)N ODV [0,2,0,0,0,0|2,0,0]=4 257 B7R0.14 CC[C@@H](O)P(=O)(O)O 1JJ [0,2,0,0,0,0|2,0,0]=4 258 B7R0.14 CC[C@H](O)P(=O)(O)O FFQ [0,2,0,0,0,0|2,0,0]=4 259 B7R0.15 C([C@@H](CO)C(=O)O)N BSE [0,2,0,0,0,0|1,0,0]=3 260 B7R0.15 CN[C@@H](CO)C(=O)O 5JP [0,2,0,0,0,0|1,0,1]=4 261 B7R0.15 CN[C@H](CO)C(=O)O DSE [0,2,0,0,0,0|1,0,1]=4 262 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,2,0,0,0,0|1,0,1]=4 263 B7R0.16 CC(C)[C@@H](C(O)O)N VAI [0,2,0,0,0,0|2,0,0]=4 264 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,2,0,0,0,0|1,0,1]=4 265 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,2,0,0,0,0|1,0,1]=4 266 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,2,0,0,0,0|1,0,1]=4 267 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,2,0,0,0,0|1,0,1]=4 268 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,2,0,0,0,0|1,0,1]=4 269 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,2,0,0,0,0|1,0,1]=4 270 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,2,0,0,0,0|1,0,1]=4 271 B7R0.16 [C@H](C(O)O)(C(=O)O)N DDZ [0,2,0,0,0,0|1,0,1]=4 272 B7R0.18 C(C(CO)(CO)N)O TMN [0,2,0,0,0,0|0,0,0]=2 273 B7R0.18 C(C(CO)(CO)[NH3+])O TRS [0,2,0,0,0,0|0,0,0]=2 274 B7R0.18 C[N+](CO)(CO)CO 144 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.19 C(O)[Ru](CO)(O)(O)Cl 5LN [0,2,0,0,0,0|1,0,0]=3 276 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|1,0,0]=3 277 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|2,0,0]=4 278 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.3 C1CCC(CC1)O CXL [0,1,0,1,0,0|2,0,0]=4 280 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,1,0,0|1,0,0]=3 281 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,2,0,0|2,0,0]=4