0 B5R0.3 C(C(=O)CCl)Cl CHM [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 C(C(=O)CO)O 2HA [0,0,0,0,0,0|0,0,0]=0 2 B5R0.3 C(C(C=O)O)O GXV [0,0,0,0,0,0|0,0,4]=4 3 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C(C(CO)N)O SEL [0,0,0,0,0,0|1,0,1]=2 5 B5R0.3 C(C(CO)O)O CRY [0,0,0,0,0,0|0,0,2]=2 6 B5R0.3 C(C(CO)O)O GOL [0,0,0,0,0,0|0,0,2]=2 7 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,0,0,0,0,0|1,0,3]=4 9 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.3 C([C@H](C=O)O)O 3GR [0,0,0,0,0,0|0,0,4]=4 11 B5R0.3 C([C@H](CS)O)O SGM [0,0,0,0,0,0|0,1,2]=3 12 B5R0.3 CCC(CC)N D0M [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 CC[C@H](C)CN DCI [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 CC[C@H](C)CN MBA [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CNC(=O)NC MMU [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 COC(=O)CN MEU [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 B(CC)(O)O 3QD [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C(=N)(N)NO HGU [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C(=O)(N)NO NHY [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 C(=O)C(=O)O GLV [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 C(C(=O)N)F FTM [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 C(C(=O)N)N GM1 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 C(C(=O)O)Br BRM [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 C(C(=O)O)Br BXA [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 C(C(=O)O)Cl R3W [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 C(C(=O)O)F FAH [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 C(C(=O)O)I 04E [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 C(C(=O)O)N GLY [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 C(C(=O)O)N GLY_LFOH [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 C(C(=O)O)O GOA [1,0,0,0,0,0|0,0,0]=1 31 B4R0.1 C(C(=O)O)S MCR [1,0,0,0,0,0|0,1,0]=2 32 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 C(C(=O)S)N GL3 [1,0,0,0,0,0|1,1,0]=3 34 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C=C(CO)Br BRP [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C=CC(=O)N 1HC [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 C=CC(=O)O AKR [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(=C)C=C 61G [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(=O)C=O PVL [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|0,0,0]=1 46 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NO HAE [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 CC(=O)OO F50 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CC(=O)O[Hg+] MAC [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 CCC(=O)N ROP [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,2]=4 55 B4R0.1 CC[N+](=O)[O-] NIE [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CNC(=O)N NMU [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CNC(=O)O RGI [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 COC(=O)O 000 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|0,0,2]=3 64 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|0,0,2]=3 65 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|0,0,2]=3 68 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|0,0,2]=3 69 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|1,0,2]=4 70 B4R0.1 O[Mo+4](=O)S[Cu+] CUN [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 O[Mo+6](=O)S[Cu+] CUM [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 C(CCl)CCl 0CL [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 C(CN)CBr 4LJ [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 C(CN)CO 0D8 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.2 C(CO)CCl 3CL [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|0,0,1]=2 78 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|0,0,1]=2 79 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|0,2,1]=4 80 B4R0.2 C(O)OCO 21H [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 CCCCC LNK [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 CCCCN LYT [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|1,0,1]=3 86 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|3,0,0]=4 87 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 COCCO MXE [1,0,0,0,0,0|2,0,1]=4 89 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,0,0,0,0|0,0,3]=4 90 B6R0.1 C([C@H](CSO)O)O SGL [0,1,0,0,0,0|0,0,2]=3 91 B6R0.1 CCC(=O)OCC CA1 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|1,0,2]=4 93 B6R0.1 CCNC(=O)OC MEC [0,1,0,0,0,0|3,0,0]=4 94 B6R0.1 CCOC(=O)CN GEE [0,1,0,0,0,0|2,0,0]=3 95 B6R0.1 CCOC(=O)NC EMB [0,1,0,0,0,0|3,0,0]=4 96 B6R0.1 C\C(=C\CO)\CO 6OM [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,1,0,0,0,0|1,0,1]=3 98 B6R0.3 C(C(=O)C(=O)O)F 65S [0,1,0,0,0,0|1,0,1]=3 99 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,1,0,0,0,0|0,0,1]=2 100 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,1,0,0,0,0|0,0,3]=4 106 B6R0.3 C([C@H](C(O)O)O)O 03W [0,1,0,0,0,0|0,0,2]=3 107 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CCC(=O)C(=O)O 2KT [0,1,0,0,0,0|1,0,1]=3 110 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 C[C@@H](C(=O)OC)N MA [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 C[C@H](CO)C(=O)O HIU [0,1,0,0,0,0|1,0,2]=4 114 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,1,0,0,0,0|1,0,1]=3 115 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|1,1,1]=4 116 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.3 N=C(/CO)\C(=O)O SRI [0,1,0,0,0,0|1,0,1]=3 118 B6R1.2 C1CC(=O)NC1 BAQ [0,0,0,1,0,0|3,0,0]=4 119 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,1,0,0|2,0,0]=3 121 B3R0.1 C(=O)C=O GXT [2,0,0,0,0,0|0,0,2]=4 122 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|1,0,0]=3 123 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,0,0]=3 124 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 125 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 126 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,0,0]=3 127 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|0,0,0]=2 128 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|0,0,0]=2 129 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,1,0]=4 130 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,1,0]=4 131 B3R0.1 C(CS)O BME [2,0,0,0,0,0|0,1,0]=3 132 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|0,1,0]=3 133 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|0,2,0]=4 134 B3R0.1 C(N)[SH]=O OSM [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 C([C-]=O)[NH-] GLY_LL [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 C=CCN AYE [2,0,0,0,0,0|1,0,1]=4 138 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|0,0,1]=3 139 B3R0.1 CCC=O CBG [2,0,0,0,0,0|1,0,0]=3 140 B3R0.1 CCC=O PNL [2,0,0,0,0,0|1,0,0]=3 141 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,1]=4 142 B3R0.1 CCCC BUT [2,0,0,0,0,0|1,0,1]=4 143 B3R0.1 CCCC NBU [2,0,0,0,0,0|1,0,1]=4 144 B3R0.1 CCCC SBU [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 CCCO POL [2,0,0,0,0,0|0,0,1]=3 147 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,1,1]=4 148 B3R0.1 CCN=O NOE [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 CCNC ETN [2,0,0,0,0,0|2,0,0]=4 150 B3R0.1 CCOC 2ME [2,0,0,0,0,0|2,0,0]=4 151 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|1,0,1]=4 152 B3R0.1 C\C=N\O AXO [2,0,0,0,0,0|1,0,0]=3 153 B3R0.1 N=C\CN AEM [2,0,0,0,0,0|2,0,0]=4 154 B3R0.2 B(O)(O)O BO3 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 156 B3R0.2 C(=O)(N)N URE [2,0,0,0,0,0|2,0,0]=4 157 B3R0.2 C(=O)(N)O OUT [2,0,0,0,0,0|1,0,0]=3 158 B3R0.2 C(=O)(O)[O-] BCT [2,0,0,0,0,0|0,0,1]=3 159 B3R0.2 C(=O)([O-])[O-] CO3 [2,0,0,0,0,0|0,0,2]=4 160 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|1,0,0]=3 161 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,0,0]=2 162 B3R0.2 CC(=O)N ACM [2,0,0,0,0,0|1,0,0]=3 163 B3R0.2 CC(=O)N CNM [2,0,0,0,0,0|1,0,0]=3 164 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|0,0,0]=2 165 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|0,0,0]=2 166 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|0,0,0]=2 167 B3R0.2 CC(=O)[O-] ACT [2,0,0,0,0,0|0,0,1]=3 168 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,0,2]=4 169 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,0,2]=4 170 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|2,0,0]=4 171 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,0,0]=3 172 B3R0.2 C[P@H](=O)O MPS [2,0,0,0,0,0|1,0,0]=3 173 B3R0.2 C[P@H](=O)O SOM [2,0,0,0,0,0|1,0,0]=3 174 B3R0.2 C[P@H](=O)[O-] VXA [2,0,0,0,0,0|1,0,1]=4 175 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|2,0,0]=4 176 B3R0.2 OBr(=O)=O 202 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 OP(=O)O PHS [2,0,0,0,0,0|1,0,0]=3 178 B3R0.2 O[As](O)O TAS [2,0,0,0,0,0|1,0,1]=4 179 B3R0.2 O[Mo+6](=O)O OMO [2,0,0,0,0,0|1,0,0]=3 180 B3R0.2 O[Mo](=O)=O MOM [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 O[SH](=O)O SFO [2,0,0,0,0,0|1,0,0]=3 182 B3R0.2 O[Sb](O)O SBO [2,0,0,0,0,0|1,0,1]=4 183 B3R0.2 O[Se](=O)[O-] BSY [2,0,0,0,0,0|1,0,1]=4 184 B3R0.2 O[Zn-](O)O ZH3 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.1 C(C(=O)O)ON AOA [1,1,0,0,0,0|0,0,0]=2 186 B5R0.1 C(CN)C(=O)O BAL [1,1,0,0,0,0|1,0,0]=3 187 B5R0.1 C(CO)C(=O)O 3OH [1,1,0,0,0,0|0,0,0]=2 188 B5R0.1 C(CS)C(=O)O MPT [1,1,0,0,0,0|0,1,0]=3 189 B5R0.1 C(C[SeH])C(=O)O SLP [1,1,0,0,0,0|0,1,0]=3 190 B5R0.1 C=C(CCO)Br 3BB [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|0,0,0]=2 192 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 CC=CC(=O)O BEO [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 CCCC(=O)N BMD [1,1,0,0,0,0|2,0,0]=4 196 B5R0.1 CCCC(=O)O BUA [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|1,0,0]=3 198 B5R0.1 CCOC(=O)O 01F [1,1,0,0,0,0|1,0,0]=3 199 B5R0.1 CCO[P@H](=O)O ATJ [1,1,0,0,0,0|2,0,0]=4 200 B5R0.1 CNCC(=O)O MGY [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 CNCC(=O)O SAR [1,1,0,0,0,0|1,0,0]=3 202 B5R0.1 CSCC(=O)[O-] MTG [1,1,0,0,0,0|0,1,1]=4 203 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|1,1,0]=4 204 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|0,0,2]=4 206 B5R0.1 C[Se]CC(=O)[O-] MSF [1,1,0,0,0,0|0,1,1]=4 207 B5R0.1 C[Te]CC(=O)[O-] MTD [1,1,0,0,0,0|0,1,1]=4 208 B5R0.4 C(N)P(=O)(O)O PGL [1,1,0,0,0,0|2,0,0]=4 209 B5R0.4 CCS(=O)(=O)O ESA [1,1,0,0,0,0|2,0,0]=4 210 B5R0.5 C(=O)(C(=O)O)N OXM [1,1,0,0,0,0|0,0,2]=4 211 B5R0.5 C(=O)(C(=O)O)O OXD [1,1,0,0,0,0|0,0,1]=3 212 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.5 C=C(C(=O)O)N DHA [1,1,0,0,0,0|1,0,1]=4 214 B5R0.5 CC(=O)C(=O)N PYM [1,1,0,0,0,0|0,0,2]=4 215 B5R0.5 CC(=O)C(=O)O PYR [1,1,0,0,0,0|0,0,1]=3 216 B5R0.5 CC(=O)N(C)C 5Y9 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 CC(C)C(=O)N IBO [1,1,0,0,0,0|2,0,0]=4 218 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|1,0,0]=3 219 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|1,0,0]=3 220 B5R0.5 C[C@@H](C(=O)C)N ALM [1,1,0,0,0,0|1,0,0]=3 221 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|0,0,0]=2 222 B5R0.5 C[C@@H](C(=O)N)N 66N [1,1,0,0,0,0|2,0,0]=4 223 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,1,0,0,0,0|1,0,0]=3 224 B5R0.5 C[C@@H](C(=O)O)N ALA [1,1,0,0,0,0|1,0,0]=3 225 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,1,0,0,0,0|1,0,0]=3 226 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,1,0,0,0,0|0,0,0]=2 227 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,1,0,0,0,0|1,0,0]=3 228 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [1,1,0,0,0,0|1,0,1]=4 230 B5R0.5 C[C@@H](C(=S)O)N ALT [1,1,0,0,0,0|1,1,0]=4 231 B5R0.5 C[C@@H](C(O)O)N ALV [1,1,0,0,0,0|1,0,1]=4 232 B5R0.5 C[C@@H]([C@H](C)O)O BUD [1,1,0,0,0,0|0,0,2]=4 233 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|0,0,0]=2 234 B5R0.5 C[C@H](C(=O)O)F 4LT [1,1,0,0,0,0|1,0,0]=3 235 B5R0.5 C[C@H](C(=O)O)N DAL [1,1,0,0,0,0|1,0,0]=3 236 B5R0.5 C[C@H](C(=O)O)O DLA [1,1,0,0,0,0|0,0,0]=2 237 B5R0.5 C[C@H](C(=O)O)O LAC [1,1,0,0,0,0|0,0,0]=2 238 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.5 C[C@H]([C@H](C)O)O BU9 [1,1,0,0,0,0|0,0,2]=4 240 B5R0.5 [C@H](C(=O)O)(N)O HGY [1,1,0,0,0,0|0,0,0]=2 241 B5R0.2 C(CCO)CO BU1 [1,1,0,0,0,0|0,0,1]=3 242 B5R0.2 C(CCO)C[NH3+] 4HA [1,1,0,0,0,0|1,0,1]=4 243 B5R0.2 C(CN)CON XAP [1,1,0,0,0,0|1,0,1]=4 244 B5R0.2 CCC/C=N\O BXO [1,1,0,0,0,0|2,0,0]=4 245 B5R0.2 CCCCCO PE9 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.2 CCOCCO ETX [1,1,0,0,0,0|1,0,1]=4 247 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,2,0,0,0,0|1,0,1]=4 248 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,2,0,0,0,0|1,0,1]=4 249 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,2,0,0,0,0|0,0,2]=4 250 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,2,0,0,0,0|0,0,1]=3 251 B7R0.5 CCCC(=O)C(=O)O 69O [0,2,0,0,0,0|1,0,1]=4 252 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|1,0,1]=4 253 B7R0.10 C([C@@H](C(=O)CO)O)O LER [0,2,0,0,0,0|0,0,0]=2 254 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,2,0,0,0,0|0,0,2]=4 255 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,2,0,0,0,0|0,0,2]=4 256 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,2,0,0,0,0|0,0,2]=4 257 B7R0.10 C=CC(=O)[C@H](CO)N KIK [0,2,0,0,0,0|1,0,1]=4 258 B7R0.10 COC(=O)C(=C)CO 23W [0,2,0,0,0,0|1,0,1]=4 259 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.15 C([C@@H](CO)C(=O)O)N BSE [0,2,0,0,0,0|1,0,1]=4 261 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,2,0,0,0,0|0,0,2]=4 262 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,2,0,0,0,0|1,0,1]=4 263 B7R0.18 C(C(CO)(CO)N)O TMN [0,2,0,0,0,0|0,0,2]=4 264 B7R0.18 C(C(CO)(CO)[NH3+])O TRS [0,2,0,0,0,0|0,0,2]=4 265 B7R0.18 C[N+](CO)(CO)CO 144 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.19 C(O)[Ru](CO)(O)(O)Cl 5LN [0,2,0,0,0,0|1,0,1]=4 267 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|1,0,1]=4 268 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|1,0,1]=4 269 B7R1.2 C1CC(=O)CC1=O CEJ [0,1,0,1,0,0|1,0,1]=4 270 B7R1.3 C1CCC(=O)CC1 CYH [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 C1COC(=O)[C@H]1N HSL [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,1,0,1,0,0|2,0,0]=4