0 B4R0.2 C(C=O)C=O MDD [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C(CCl)CCl 0CL [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 C(CN)CBr 4LJ [0,0,0,0,0,0|1,0,0]=1 3 B4R0.2 C(CN)CN 13D [0,0,0,0,0,0|1,0,0]=1 4 B4R0.2 C(CN)CO 0D8 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.2 C(CO)CCl 3CL [0,0,0,0,0,0|2,0,0]=2 6 B4R0.2 C(CO)CO HPG [0,0,0,0,0,0|2,0,0]=2 7 B4R0.2 C(CO)CO PDO [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 C(CS)C=O MPR [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 C(CS)CS PDT [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 C(O)OCO 21H [0,0,0,0,0,0|3,0,0]=3 11 B4R0.2 C/C=C/C=O CRD [0,0,0,0,0,0|1,0,3]=4 12 B4R0.2 CC/C=N\O PXO [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 CCCCBr BBU [0,0,0,0,0,0|1,0,0]=1 14 B4R0.2 CCCCC LNK [0,0,0,0,0,0|1,0,0]=1 15 B4R0.2 CCCCN LYT [0,0,0,0,0,0|0,0,0]=0 16 B4R0.2 CCCCO 1BO [0,0,0,0,0,0|1,0,0]=1 17 B4R0.2 CCC[N+]#[C-] NPN [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 CCOC=O ETO [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 CCOCC ETZ [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 CCOC[O-] EOM [0,0,0,0,0,0|2,0,0]=2 21 B4R0.2 COCCO MXE [0,0,0,0,0,0|2,0,0]=2 22 B4R0.2 COCC[O-] MOE [0,0,0,0,0,0|2,0,0]=2 23 B3R0.1 C#CCN RRA [1,0,0,0,0,0|0,0,2]=3 24 B3R0.1 C(=CS)N TEE [1,0,0,0,0,0|1,0,2]=4 25 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|1,0,1]=3 26 B3R0.1 C(CBr)O BRJ [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 C(CCl)Cl DCE [1,0,0,0,0,0|2,0,0]=3 28 B3R0.1 C(CN)N EDN [1,0,0,0,0,0|1,0,0]=2 29 B3R0.1 C(CO)N ETA [1,0,0,0,0,0|1,0,0]=2 30 B3R0.1 C(CO)O EDO [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 C(CO)O EGL [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 C(CS)N DHL [1,0,0,0,0,0|1,0,0]=2 33 B3R0.1 C(CS)N SEA [1,0,0,0,0,0|1,0,0]=2 34 B3R0.1 C(CS)O BME [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 C(CS)O SEO [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 C(CS)S 6LN [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 C(N)[SH]=O OSM [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 C([C-]=O)[NH-] GLY_LL [1,0,0,0,0,0|1,0,2]=4 39 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.1 C=CCN AYE [1,0,0,0,0,0|0,0,2]=3 41 B3R0.1 C=CCO 5VQ [1,0,0,0,0,0|1,0,2]=4 42 B3R0.1 CCC#N CNV [1,0,0,0,0,0|0,0,2]=3 43 B3R0.1 CCC=O CBG [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 CCC=O PNL [1,0,0,0,0,0|1,0,1]=3 45 B3R0.1 CCCBr 3BR [1,0,0,0,0,0|1,0,0]=2 46 B3R0.1 CCCC BUT [1,0,0,0,0,0|0,0,0]=1 47 B3R0.1 CCCC NBU [1,0,0,0,0,0|0,0,0]=1 48 B3R0.1 CCCC SBU [1,0,0,0,0,0|0,0,0]=1 49 B3R0.1 CCCN 3CN [1,0,0,0,0,0|0,0,0]=1 50 B3R0.1 CCCO POL [1,0,0,0,0,0|1,0,0]=2 51 B3R0.1 CCCS XL3 [1,0,0,0,0,0|1,0,0]=2 52 B3R0.1 CCN=O NOE [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 CCNC ETN [1,0,0,0,0,0|1,0,0]=2 54 B3R0.1 CCOC 2ME [1,0,0,0,0,0|1,0,0]=2 55 B3R0.1 CC[N+]#C ENC [1,0,0,0,0,0|1,0,1]=3 56 B3R0.1 CNC=S MTF [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 C\C=C/N AKK [1,0,0,0,0,0|0,0,2]=3 58 B3R0.1 C\C=N\O AXO [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 N=C\CN AEM [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 C(C(=O)O)ON AOA [0,1,0,0,0,0|2,0,1]=4 61 B5R0.1 C(CN)C(=O)O BAL [0,1,0,0,0,0|1,0,1]=3 62 B5R0.1 C(CO)C(=O)O 3OH [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 C(CS)C(=O)O MPT [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 C(C[SeH])C(=O)O SLP [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 C=C(CCO)Br 3BB [0,1,0,0,0,0|1,0,2]=4 66 B5R0.1 CC(=O)CCO BUQ [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 CC(C)CCN LEN [0,1,0,0,0,0|0,0,0]=1 68 B5R0.1 CC(C)CCO IP3 [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 CCCC(=O)C PNH [0,1,0,0,0,0|1,0,1]=3 70 B5R0.1 CCCC(=O)N BMD [0,1,0,0,0,0|0,0,1]=2 71 B5R0.1 CCCC(=O)O BUA [0,1,0,0,0,0|1,0,1]=3 72 B5R0.1 CCC[N+](=O)[O-] N1P [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 CCOC(=O)C EEE [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CCOC(=O)O 01F [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CCO[P@H](=O)O ATJ [0,1,0,0,0,0|3,0,0]=4 76 B5R0.1 CCSC(=N)N ITU [0,1,0,0,0,0|1,0,1]=3 77 B5R0.1 CCSC(=N)N SEU [0,1,0,0,0,0|1,0,1]=3 78 B5R0.1 CNCC(=O)O MGY [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 CNCC(=O)O SAR [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 CSCC(=O)[O-] MTG [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CSC[S@@](=O)C DSS [0,1,0,0,0,0|3,0,0]=4 82 B5R0.1 C[C@@H](CCO)O BU2 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.1 C[C@H](CC=O)O 5KO [0,1,0,0,0,0|1,0,1]=3 84 B5R0.1 C[C@H](CCO)O BU4 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 C[Se]CC(=O)[O-] MSF [0,1,0,0,0,0|2,0,1]=4 86 B5R0.1 C[Te]CC(=O)[O-] MTD [0,1,0,0,0,0|2,0,1]=4 87 B5R0.1 N=C(/N)\NCC EGD [0,1,0,0,0,0|1,0,1]=3 88 B5R0.1 N=C(\N)/[Se]CC ISU [0,1,0,0,0,0|1,0,1]=3 89 B5R0.2 C(CCN)CN PUT [0,1,0,0,0,0|0,0,0]=1 90 B5R0.2 C(CCO)CO BU1 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.2 C(CCO)C[NH3+] 4HA [0,1,0,0,0,0|0,0,1]=2 92 B5R0.2 C(CCl)NC=O CEC [0,1,0,0,0,0|2,0,1]=4 93 B5R0.2 C(CN)CON XAP [0,1,0,0,0,0|1,0,0]=2 94 B5R0.2 C(CO)N=[N+]=[N-] AE9 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.2 CCC/C=N\O BXO [0,1,0,0,0,0|0,0,2]=3 96 B5R0.2 CCCCC=O PTL [0,1,0,0,0,0|1,0,0]=2 97 B5R0.2 CCCCCBr 5BR [0,1,0,0,0,0|1,0,0]=2 98 B5R0.2 CCCCCC HEX [0,1,0,0,0,0|1,0,0]=2 99 B5R0.2 CCCCCCl 7CL [0,1,0,0,0,0|1,0,0]=2 100 B5R0.2 CCCCCN AML [0,1,0,0,0,0|0,0,0]=1 101 B5R0.2 CCCCCO PE9 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.2 CCCC[N+]#[C-] NBN [0,1,0,0,0,0|0,0,1]=2 103 B5R0.2 CCOCCO ETX [0,1,0,0,0,0|1,0,0]=2 104 B5R0.2 CNCCCN N3D [0,1,0,0,0,0|0,0,0]=1 105 B5R0.2 COCCOC DXE [0,1,0,0,0,0|2,0,0]=3 106 B5R0.3 C(C(=O)CCl)Cl CHM [0,1,0,0,0,0|2,0,1]=4 107 B5R0.3 C(C(=O)CO)O 2HA [0,1,0,0,0,0|2,0,1]=4 108 B5R0.3 C(C(C=O)O)O GXV [0,1,0,0,0,0|2,0,1]=4 109 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,1,0,0,0,0|2,0,0]=3 110 B5R0.3 C(C(CO)N)O SEL [0,1,0,0,0,0|2,0,0]=3 111 B5R0.3 C(C(CO)O)O CRY [0,1,0,0,0,0|2,0,0]=3 112 B5R0.3 C(C(CO)O)O GOL [0,1,0,0,0,0|2,0,0]=3 113 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,1,0,0,0,0|2,0,0]=3 114 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,1,0,0,0,0|2,0,1]=4 117 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,1,0,0,0,0|2,0,1]=4 118 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 C([C@H](C=O)O)O 3GR [0,1,0,0,0,0|2,0,1]=4 123 B5R0.3 C([C@H](CS)O)O SGM [0,1,0,0,0,0|2,0,0]=3 124 B5R0.3 CCC(CC)N D0M [0,1,0,0,0,0|1,0,0]=2 125 B5R0.3 CC[C@H](C)CN DCI [0,1,0,0,0,0|0,0,0]=1 126 B5R0.3 CC[C@H](C)CN MBA [0,1,0,0,0,0|0,0,0]=1 127 B5R0.3 COC(=O)CN MEU [0,1,0,0,0,0|1,0,1]=3 128 B5R1.1 C1CCNC1 VES [0,0,0,1,0,0|0,0,0]=1 129 B5R1.1 C1CCOC1 FU1 [0,0,0,1,0,0|1,0,0]=2 130 B5R1.3 C1CC1CO 09V [0,0,0,1,0,0|1,0,0]=2 131 B2R0.1 C(#N)N CNN [2,0,0,0,0,0|1,0,1]=4 132 B2R0.1 C(=O)N ARF [2,0,0,0,0,0|1,0,1]=4 133 B2R0.1 C(Br)Br 2BM [2,0,0,0,0,0|2,0,0]=4 134 B2R0.1 CC#N CCN [2,0,0,0,0,0|0,0,2]=4 135 B2R0.1 CC=O ACE [2,0,0,0,0,0|1,0,1]=4 136 B2R0.1 CC=O ACU [2,0,0,0,0,0|1,0,1]=4 137 B2R0.1 CC=O MCB [2,0,0,0,0,0|1,0,1]=4 138 B2R0.1 CCBr BBX [2,0,0,0,0,0|1,0,0]=3 139 B2R0.1 CCC TME [2,0,0,0,0,0|0,0,0]=2 140 B2R0.1 CCCl MCE [2,0,0,0,0,0|1,0,0]=3 141 B2R0.1 CCI ETI [2,0,0,0,0,0|1,0,0]=3 142 B2R0.1 CCN NEH [2,0,0,0,0,0|0,0,0]=2 143 B2R0.1 CCO EOH [2,0,0,0,0,0|1,0,0]=3 144 B2R0.1 CCO EOX [2,0,0,0,0,0|1,0,0]=3 145 B2R0.1 CCO OHE [2,0,0,0,0,0|1,0,0]=3 146 B2R0.1 CCS SCC [2,0,0,0,0,0|1,0,0]=3 147 B2R0.1 CCS XL1 [2,0,0,0,0,0|1,0,0]=3 148 B2R0.1 CC[Hg+] EMC [2,0,0,0,0,0|1,0,0]=3 149 B2R0.1 CC[O] OXA [2,0,0,0,0,0|1,0,0]=3 150 B2R0.1 CN=N HDN [2,0,0,0,0,0|1,0,1]=4 151 B2R0.1 CN=O NSM [2,0,0,0,0,0|2,0,0]=4 152 B2R0.1 CNC DMN [2,0,0,0,0,0|1,0,0]=3 153 B2R0.1 COC 2F2 [2,0,0,0,0,0|1,0,0]=3 154 B2R0.1 CSC MSM [2,0,0,0,0,0|1,0,0]=3 155 B2R0.1 C[N+]#[C-] MNC [2,0,0,0,0,0|1,0,1]=4 156 B2R0.1 N=C/C E1H [2,0,0,0,0,0|0,0,2]=4 157 B2R0.1 N[Zn]N DAZ [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 B(CC)(O)O 3QD [1,1,0,0,0,0|2,0,0]=4 159 B4R0.1 C(C(=O)N)F FTM [1,1,0,0,0,0|1,0,1]=4 160 B4R0.1 C(C(=O)N)N GM1 [1,1,0,0,0,0|1,0,1]=4 161 B4R0.1 C(C(=O)O)N GLY [1,1,0,0,0,0|1,0,1]=4 162 B4R0.1 C(C(=O)O)N GLY_LFOH [1,1,0,0,0,0|1,0,1]=4 163 B4R0.1 C(C(=O)S)N GL3 [1,1,0,0,0,0|1,0,1]=4 164 B4R0.1 CC(=C)CN IRS [1,1,0,0,0,0|0,0,1]=3 165 B4R0.1 CC(=O)CCl ATO [1,1,0,0,0,0|1,0,1]=4 166 B4R0.1 CC(=O)CN GCM [1,1,0,0,0,0|0,0,1]=3 167 B4R0.1 CC(=O)CN GLM [1,1,0,0,0,0|0,0,1]=3 168 B4R0.1 CC(=O)CO 4Y8 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 CC(=O)NC NML [1,1,0,0,0,0|1,0,1]=4 170 B4R0.1 CC(C)C=O 5OZ [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 CC(C)CN IBN [1,1,0,0,0,0|0,0,0]=2 172 B4R0.1 CC=C(C)C 2MB [1,1,0,0,0,0|0,0,2]=4 173 B4R0.1 CCC(=O)N ROP [1,1,0,0,0,0|0,0,1]=3 174 B4R0.1 CCC(=O)O PPI [1,1,0,0,0,0|1,0,1]=4 175 B4R0.1 CC[C@H](C)O SBT [1,1,0,0,0,0|0,0,0]=2 176 B4R0.1 CC[N+](=O)[O-] NIE [1,1,0,0,0,0|2,0,0]=4 177 B4R0.1 CNC(=O)N NMU [1,1,0,0,0,0|1,0,1]=4 178 B4R0.1 C[C@@H](C=O)N 5XU [1,1,0,0,0,0|1,0,1]=4 179 B4R0.1 C[C@@H](CBr)O EBH [1,1,0,0,0,0|1,0,0]=3 180 B4R0.1 C[C@@H](CCl)Cl CP2 [1,1,0,0,0,0|1,0,0]=3 181 B4R0.1 C[C@@H](CO)N 2A1 [1,1,0,0,0,0|1,0,0]=3 182 B4R0.1 C[C@@H](CO)O PGO [1,1,0,0,0,0|1,0,0]=3 183 B4R0.1 C[C@@H](CO)O PGQ [1,1,0,0,0,0|1,0,0]=3 184 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,1,0,0,0,0|1,0,1]=4 185 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.1 C[C@H](CBr)O 1BP [1,1,0,0,0,0|1,0,0]=3 187 B4R0.1 C[C@H](CO)N 2A3 [1,1,0,0,0,0|1,0,0]=3 188 B4R0.1 C[C@H](CO)O HP3 [1,1,0,0,0,0|1,0,0]=3 189 B4R0.1 C[C@H](CO)O PGR [1,1,0,0,0,0|1,0,0]=3 190 B4R0.1 C[C@H](C[NH3+])O FOP [1,1,0,0,0,0|0,0,1]=3 191 B4R0.1 N=C(\N)/NC MGX [1,1,0,0,0,0|1,0,1]=4 192 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,2,0,0,0,0|1,0,0]=3 193 B6R0.1 C([C@H](CSO)O)O SGL [0,2,0,0,0,0|2,0,0]=4 194 B6R0.1 CCC(=O)OCC CA1 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.1 CCC[C@@H](CO)O 1SP [0,2,0,0,0,0|1,0,0]=3 196 B6R0.1 CCOC(=O)CN GEE [0,2,0,0,0,0|0,0,1]=3 197 B6R0.1 CCOC(=O)NC EMB [0,2,0,0,0,0|1,0,1]=4 198 B6R0.1 CCS[C@H](C)SC 0AJ [0,2,0,0,0,0|2,0,0]=4 199 B6R0.2 CC(C)CC(=O)O IVA [0,2,0,0,0,0|1,0,1]=4 200 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,2,0,0,0,0|0,0,0]=2 201 B6R0.2 CC(C)SC(=N)N IPU [0,2,0,0,0,0|1,0,1]=4 202 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,2,0,0,0,0|1,0,1]=4 203 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,2,0,0,0,0|1,0,1]=4 204 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,2,0,0,0,0|1,0,1]=4 205 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,2,0,0,0,0|1,0,1]=4 206 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,2,0,0,0,0|1,0,1]=4 208 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,2,0,0,0,0|1,0,1]=4 209 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,2,0,0,0,0|1,0,1]=4 210 B6R0.3 C([C@H](C(O)O)O)O 03W [0,2,0,0,0,0|2,0,0]=4 211 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,2,0,0,0,0|1,0,1]=4 212 B6R0.3 CC(C)[C@@H](CO)N VOL [0,2,0,0,0,0|1,0,0]=3 213 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,2,0,0,0,0|1,0,1]=4 214 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,2,0,0,0,0|1,0,1]=4 215 B6R0.3 CCC(C(=O)O)N AA3 [0,2,0,0,0,0|1,0,1]=4 216 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,2,0,0,0,0|1,0,1]=4 217 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,2,0,0,0,0|1,0,1]=4 219 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,2,0,0,0,0|1,0,1]=4 220 B6R0.3 CC[C@H](C(=O)O)N DBB [0,2,0,0,0,0|1,0,1]=4 221 B6R0.3 CC[C@H](C)C(=O)O SMB [0,2,0,0,0,0|1,0,1]=4 222 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,2,0,0,0,0|2,0,0]=4 223 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,2,0,0,0,0|1,0,1]=4 224 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,2,0,0,0,0|1,0,1]=4 225 B6R0.3 C[C@@H](C(=O)OC)N MA [0,2,0,0,0,0|1,0,1]=4 226 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,2,0,0,0,0|1,0,1]=4 227 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,2,0,0,0,0|1,0,1]=4 231 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.4 B(CCCC)(O)O BUB [0,2,0,0,0,0|1,0,0]=3 235 B6R0.4 C(CC(=O)O)CBr 0A5 [0,2,0,0,0,0|1,0,1]=4 236 B6R0.4 C(CC(=O)O)CN ABU [0,2,0,0,0,0|0,0,1]=3 237 B6R0.4 CC(C)CCC=O MOP [0,2,0,0,0,0|1,0,0]=3 238 B6R0.4 CCCCC(=O)O LEA [0,2,0,0,0,0|1,0,0]=3 239 B6R0.4 CCCCC(=O)O PEI [0,2,0,0,0,0|1,0,0]=3 240 B6R0.4 CCCOC(=O)C 4PA [0,2,0,0,0,0|1,0,1]=4 241 B6R0.4 CCNCC(=O)O 2JC [0,2,0,0,0,0|1,0,1]=4 242 B6R0.4 CN(C)CCCN DIB [0,2,0,0,0,0|0,0,0]=2 243 B6R0.5 C(CP(=O)(O)O)N P7I [0,2,0,0,0,0|2,0,0]=4 244 B6R0.5 C(CS(=O)(=O)O)N TAU [0,2,0,0,0,0|2,0,0]=4 245 B6R0.5 CC(C)(C)CCN 2G3 [0,2,0,0,0,0|0,0,0]=2 246 B6R0.5 CC(C)(C)CCO 33D [0,2,0,0,0,0|1,0,0]=3 247 B6R0.5 C[As](C)(C)CCO 1Y8 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.5 C[N+](C)(C)CCO CHT [0,2,0,0,0,0|2,0,0]=4 249 B6R0.5 C[N+](C)(C)CCS ETM [0,2,0,0,0,0|2,0,0]=4 250 B6R0.6 C(CC=N)CC=O ARN [0,2,0,0,0,0|0,0,2]=4 251 B6R0.6 C(CC=O)CC=O PTD [0,2,0,0,0,0|1,0,1]=4 252 B6R0.6 C(CCN)CCN N2P [0,2,0,0,0,0|0,0,0]=2 253 B6R0.6 C(CCNN)CN 01H [0,2,0,0,0,0|0,0,0]=2 254 B6R0.6 C(CCO)CC=O GAQ [0,2,0,0,0,0|1,0,0]=3 255 B6R0.6 C(COCC=O)O 1KA [0,2,0,0,0,0|1,0,1]=4 256 B6R0.6 C(COCCO)O PEG [0,2,0,0,0,0|1,0,0]=3 257 B6R0.6 CCCCCCC HP6 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.6 CCCCCCO HE2 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.6 CCCCNC=O YIV [0,2,0,0,0,0|0,0,0]=2 260 B6R0.6 CCCSCCO 266 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.8 CC[Pb](CC)(Br)Br ZN7 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.8 CC[Sn](CC)(Cl)Cl ZN6 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.9 CCP(CC)CC 3EP [0,2,0,0,0,0|2,0,0]=4 264 B6R0.9 CC[NH+](CC)CC TEA [0,2,0,0,0,0|2,0,0]=4 265 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,1,0,0|0,0,1]=3 266 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,1,0,0|1,0,1]=4 267 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,1,0,0|1,0,0]=3 268 B6R1.2 C1CCC(C1)N 1CB [0,1,0,1,0,0|0,0,0]=2 269 B6R1.2 C1CCC(C1)O YEG [0,1,0,1,0,0|1,0,0]=3 270 B6R1.2 C1CNC[C@@H]1N 04S [0,1,0,1,0,0|0,0,0]=2 271 B6R1.2 C1CNC[C@H]1O 6SP [0,1,0,1,0,0|0,0,0]=2 272 B6R1.2 C1CSC(=N1)N ATQ [0,1,0,1,0,0|1,0,1]=4 273 B6R1.3 COCC1CC1 09U [0,1,0,1,0,0|1,0,0]=3 274 B6R1.1 C1CCCCC1 CHX [0,1,0,1,0,0|1,0,0]=3 275 B6R1.1 C1CCNCC1 PIP [0,1,0,1,0,0|0,0,0]=2 276 B6R1.1 C1CCOCC1 PYE [0,1,0,1,0,0|1,0,0]=3 277 B6R1.1 C1CNCCN1 PZE [0,1,0,1,0,0|0,0,0]=2 278 B6R1.1 C1COCCN1 6LR [0,1,0,1,0,0|0,0,0]=2 279 B6R1.1 C1COCCO1 DIO [0,1,0,1,0,0|1,0,0]=3 280 B6R1.1 C1COCCO1 DOX [0,1,0,1,0,0|1,0,0]=3