0 B5R0.3 C(C(=O)CCl)Cl CHM [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(=O)CO)O 2HA [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C(C(C=O)O)O GXV [0,0,0,0,0,0|3,0,1]=4 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|3,0,0]=3 5 B5R0.3 C(C(CO)O)O CRY [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C(C(CO)O)O GOL [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 C([C@H](C=O)O)O 3GR [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 C([C@H](CS)O)O SGM [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CCC(CC)N D0M [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 CC[C@H](C)CN DCI [0,0,0,0,0,0|0,0,0]=0 20 B5R0.3 CC[C@H](C)CN MBA [0,0,0,0,0,0|0,0,0]=0 21 B5R0.3 COC(=O)CN MEU [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 B(CC)(O)O 3QD [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 C(C(=O)N)F FTM [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C(C(=O)N)N GM1 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C(C(=O)O)N GLY [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C(C(=O)O)N GLY_LFOH [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C(C(=O)S)N GL3 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|0,0,2]=3 29 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|0,0,0]=1 36 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|0,0,2]=3 37 B4R0.1 CCC(=O)N ROP [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC[N+](=O)[O-] NIE [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CN(C)C=O DMF [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CNC(=O)N NMU [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,0,0]=2 54 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 N=C(\N)/NC MGX [1,0,0,0,0,0|2,0,1]=4 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|1,0,0]=2 60 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|1,0,0]=2 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|2,0,0]=3 63 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 C(O)OCO 21H [1,0,0,0,0,0|3,0,0]=4 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|1,0,0]=2 70 B4R0.2 CCCCC LNK [1,0,0,0,0,0|1,0,0]=2 71 B4R0.2 CCCCN LYT [1,0,0,0,0,0|0,0,0]=1 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|2,0,0]=3 74 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 COCCO MXE [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|2,0,0]=3 79 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,0,0,0,0|2,0,0]=3 80 B6R0.1 C([C@H](CSO)O)O SGL [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 CCC(=O)OCC CA1 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CCOC(=O)CN GEE [0,1,0,0,0,0|1,0,1]=3 84 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 C\C(=C\CO)\CO 6OM [0,1,0,0,0,0|1,0,2]=4 86 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 C([C@H](C(O)O)O)O 03W [0,1,0,0,0,0|3,0,0]=4 92 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 CCC(C(=O)O)N AA3 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC[C@H](C(=O)O)N DBB [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CC[C@H](C)C(=O)O SMB [0,1,0,0,0,0|1,0,1]=3 103 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,1,0,0,0,0|2,0,0]=3 104 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,1,0,0,0,0|1,0,1]=3 105 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 C[C@@H](C(=O)OC)N MA [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,1,0,0,0,0|1,0,1]=3 109 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,1,0,0,0,0|1,0,1]=3 110 B6R0.3 C[C@H](C(=O)O)NC 33X [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 C[C@H](CO)C(=O)O HIU [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.8 CC[Pb](CC)(Br)Br ZN7 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.8 CC[Sn](CC)(Cl)Cl ZN6 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.9 CCP(CC)CC 3EP [0,1,0,0,0,0|2,0,0]=3 122 B6R0.9 CC[NH+](CC)CC TEA [0,1,0,0,0,0|2,0,0]=3 123 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,1,0,0|1,0,0]=2 127 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,1,0,0|1,0,0]=2 128 B3R0.1 C#CCN RRA [2,0,0,0,0,0|0,0,2]=4 129 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|1,0,0]=3 133 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,0,0]=3 134 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|2,0,0]=4 136 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,0,0]=3 137 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,0,0]=3 138 B3R0.1 C(CS)O BME [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|2,0,0]=4 141 B3R0.1 C(N)[SH]=O OSM [2,0,0,0,0,0|2,0,0]=4 142 B3R0.1 C=CCN AYE [2,0,0,0,0,0|0,0,2]=4 143 B3R0.1 CCC#N CNV [2,0,0,0,0,0|0,0,2]=4 144 B3R0.1 CCC=O CBG [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 CCC=O PNL [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 147 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,0]=2 148 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,0]=2 149 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,0]=2 150 B3R0.1 CCCN 3CN [2,0,0,0,0,0|0,0,0]=2 151 B3R0.1 CCCO POL [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 CCCS XL3 [2,0,0,0,0,0|1,0,0]=3 153 B3R0.1 CCN=O NOE [2,0,0,0,0,0|2,0,0]=4 154 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 157 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|0,0,2]=4 158 B3R0.1 N=C\CN AEM [2,0,0,0,0,0|1,0,1]=4 159 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 160 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|0,0,2]=4 161 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|1,0,1]=4 162 B3R0.2 CC(=O)N ACM [2,0,0,0,0,0|1,0,1]=4 163 B3R0.2 CC(=O)N CNM [2,0,0,0,0,0|1,0,1]=4 164 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|1,0,0]=3 165 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|1,0,0]=3 166 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|1,0,0]=3 167 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|2,0,0]=4 168 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|1,0,0]=3 169 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|0,0,0]=2 171 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|0,0,0]=2 172 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|1,0,1]=4 173 B5R0.1 CCCC(=O)N BMD [1,1,0,0,0,0|1,0,1]=4 174 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|1,0,1]=4 175 B5R0.1 CCSC(=N)N ITU [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 CCSC(=N)N SEU [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|2,0,0]=4 178 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|1,0,1]=4 180 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|1,0,0]=3 181 B5R0.1 N=C(/N)\NCC EGD [1,1,0,0,0,0|1,0,1]=4 182 B5R0.1 N=C(\N)/[Se]CC ISU [1,1,0,0,0,0|1,0,1]=4 183 B5R0.4 CC(C)(C#N)O CNH [1,1,0,0,0,0|0,0,2]=4 184 B5R0.4 CC(C)(C)C#N TAN [1,1,0,0,0,0|0,0,2]=4 185 B5R0.4 CC(C)(C)CN NPT [1,1,0,0,0,0|0,0,0]=2 186 B5R0.4 CC(C)(C)[N+]#[C-] TB0 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.4 CC(C)(CN)N 4G6 [1,1,0,0,0,0|0,0,0]=2 188 B5R0.4 CC[Si](C)(C)C CEQ [1,1,0,0,0,0|0,1,0]=3 189 B5R0.5 B([C@H](C)N)(O)O B2A [1,1,0,0,0,0|2,0,0]=4 190 B5R0.5 CC(=O)N(C)C 5Y9 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.5 CC(C)C(=O)N IBO [1,1,0,0,0,0|0,0,1]=3 192 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|1,0,1]=4 193 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|1,0,1]=4 194 B5R0.5 CC(C)[C@@H](C)N CDE [1,1,0,0,0,0|0,0,0]=2 195 B5R0.5 CC(C)[N+](=O)[O-] NIS [1,1,0,0,0,0|2,0,0]=4 196 B5R0.5 C[C@@H](C(=O)C)N ALM [1,1,0,0,0,0|0,0,1]=3 197 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|1,0,1]=4 198 B5R0.5 C[C@@H](C(=O)N)N 66N [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(=S)O)N ALT [1,1,0,0,0,0|1,0,1]=4 202 B5R0.5 C[C@@H](C(O)O)N ALV [1,1,0,0,0,0|1,0,0]=3 203 B5R0.5 C[C@@H]([C@H](C)O)O BUD [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|1,0,1]=4 205 B5R0.5 C[C@H](C(=O)O)N DAL [1,1,0,0,0,0|1,0,1]=4 206 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.5 C[C@H]([C@H](C)O)O BU9 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.2 C(CCN)CN PUT [1,1,0,0,0,0|0,0,0]=2 209 B5R0.2 C(CCO)CO BU1 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.2 C(CCO)C[NH3+] 4HA [1,1,0,0,0,0|0,0,1]=3 211 B5R0.2 C(CN)CON XAP [1,1,0,0,0,0|1,0,0]=3 212 B5R0.2 CCC/C=N\O BXO [1,1,0,0,0,0|0,0,2]=4 213 B5R0.2 CCCCC=O PTL [1,1,0,0,0,0|1,0,0]=3 214 B5R0.2 CCCCCBr 5BR [1,1,0,0,0,0|1,0,0]=3 215 B5R0.2 CCCCCC HEX [1,1,0,0,0,0|1,0,0]=3 216 B5R0.2 CCCCCCl 7CL [1,1,0,0,0,0|1,0,0]=3 217 B5R0.2 CCCCCN AML [1,1,0,0,0,0|0,0,0]=2 218 B5R0.2 CCCCCO PE9 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.2 CCCC[N+]#[C-] NBN [1,1,0,0,0,0|0,0,1]=3 220 B5R0.2 CCOCCO ETX [1,1,0,0,0,0|1,0,0]=3 221 B5R0.2 CNCCCN N3D [1,1,0,0,0,0|0,0,0]=2 222 B5R0.2 COCCOC DXE [1,1,0,0,0,0|2,0,0]=4 223 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,2,0,0,0,0|2,0,0]=4 224 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,2,0,0,0,0|2,0,0]=4 225 B7R0.3 C=CCC[C@@H](CO)O 217 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.3 CCCC[C@@H](CO)N 2AO [0,2,0,0,0,0|2,0,0]=4 227 B7R0.3 CCCC[C@@H](CO)O 0RE [0,2,0,0,0,0|2,0,0]=4 228 B7R0.3 CCCC[C@H](CO)O 7FB [0,2,0,0,0,0|2,0,0]=4 229 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|1,0,0]=3 230 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,2,0,0,0,0|2,0,0]=4 231 B7R0.10 C([C@@H]([C@H](CS)O)O)S DTT [0,2,0,0,0,0|2,0,0]=4 232 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,2,0,0,0,0|2,0,0]=4 233 B7R0.10 C([C@H]([C@@H](CS)O)O)S DTV [0,2,0,0,0,0|2,0,0]=4 234 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,2,0,0,0,0|2,0,0]=4 235 B7R0.10 C([C@H]([C@H](CS)O)O)S DTU [0,2,0,0,0,0|2,0,0]=4 236 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,2,0,0,0,0|0,0,1]=3 237 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,2,0,0,0,0|0,0,1]=3 238 B7R0.13 CC(C)[C@@](C)(C#N)O ICN [0,2,0,0,0,0|0,0,2]=4 239 B7R0.13 CC[C@](C)(C(=O)O)N DIV [0,2,0,0,0,0|1,0,1]=4 240 B7R0.13 C[C@H]([C@](C)(CN)O)O TSI [0,2,0,0,0,0|0,0,0]=2 241 B7R0.14 CC[C@@H](C)S(=O)(=O)[O-] J6Z [0,2,0,0,0,0|2,0,0]=4 242 B7R0.15 C([C@@H](CO)C(=O)O)N BSE [0,2,0,0,0,0|1,0,1]=4 243 B7R0.15 N=C(\C)/N(CC)CC 47R [0,2,0,0,0,0|2,0,0]=4 244 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,2,0,0,0,0|1,0,1]=4 245 B7R0.16 CC(C)[C@@H](C(O)O)N VAI [0,2,0,0,0,0|2,0,0]=4 246 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,2,0,0,0,0|1,0,1]=4 247 B7R0.18 C(C(CO)(CO)N)O TMN [0,2,0,0,0,0|2,0,0]=4 248 B7R0.18 C(C(CO)(CO)[NH3+])O TRS [0,2,0,0,0,0|2,0,0]=4 249 B7R0.18 CC[P-](CC)(CC)[Au+] AUF [0,2,0,0,0,0|2,0,0]=4 250 B7R0.18 CC[Sn](CC)(CC)Cl ZN0 [0,2,0,0,0,0|2,0,0]=4 251 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|1,0,0]=3 252 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|0,0,0]=2 253 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,1,0,1,0,0|0,0,2]=4 255 B7R1.1 C1C[C@H](NC1)C=O PRI [0,1,0,1,0,0|1,0,1]=4 256 B7R1.1 C1C[C@H](NC1)CN P2Y [0,1,0,1,0,0|0,0,0]=2 257 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [0,1,0,1,0,0|1,0,1]=4 258 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.3 C1CCC(CC1)O CXL [0,1,0,1,0,0|2,0,0]=4 260 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,1,0,1,0,0|2,0,0]=4 261 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,1,0,0|1,0,1]=4 262 B7R1.4 C1COC(=O)[C@H]1N HSL [0,1,0,1,0,0|1,0,1]=4 263 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,1,0,0|2,0,0]=4 264 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,2,0,0|2,0,0]=4