0 B5R0.2 C(=CC=O)C=O 2FU [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C(CCN)CN PUT [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C(CCO)CO BU1 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C(CCO)C[NH3+] 4HA [0,0,0,0,0,0|1,0,2]=3 4 B5R0.2 C(CCl)NC=O CEC [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 C(CN)CON XAP [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C(CO)N=[N+]=[N-] AE9 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.2 C=CCNC=S 9AI [0,0,0,0,0,0|1,1,2]=4 8 B5R0.2 CCC/C=N\O BXO [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 CCCCC=O PTL [0,0,0,0,0,0|0,0,0]=0 10 B5R0.2 CCCCCBr 5BR [0,0,0,0,0,0|1,0,1]=2 11 B5R0.2 CCCCCC HEX [0,0,0,0,0,0|1,0,1]=2 12 B5R0.2 CCCCCCl 7CL [0,0,0,0,0,0|1,0,1]=2 13 B5R0.2 CCCCCN AML [0,0,0,0,0,0|1,0,1]=2 14 B5R0.2 CCCCCO PE9 [0,0,0,0,0,0|0,0,2]=2 15 B5R0.2 CCCC[N+]#[C-] NBN [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 CCOCCO ETX [0,0,0,0,0,0|1,0,2]=3 17 B5R0.2 CNCCCN N3D [0,0,0,0,0,0|2,0,1]=3 18 B5R0.2 COCCOC DXE [0,0,0,0,0,0|3,0,0]=3 19 B4R0.2 C(C=O)C=O MDD [1,0,0,0,0,0|1,0,1]=3 20 B4R0.2 C(CCl)CCl 0CL [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 C(CN)CBr 4LJ [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 C(CN)CO 0D8 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.2 C(CO)CCl 3CL [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|1,0,1]=3 26 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|1,0,1]=3 27 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|1,1,0]=3 29 B4R0.2 C(O)OCO 21H [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C/C=C/C=O CRD [1,0,0,0,0,0|0,0,2]=3 31 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|1,0,0]=2 33 B4R0.2 CCCCC LNK [1,0,0,0,0,0|0,0,1]=2 34 B4R0.2 CCCCN LYT [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|0,0,1]=2 36 B4R0.2 CCC[N+]#[C-] NPN [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|1,0,0]=2 38 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|1,0,1]=3 39 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|1,0,1]=3 40 B4R0.2 COCCO MXE [1,0,0,0,0,0|1,0,1]=3 41 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|1,0,1]=3 42 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,0,0,0,0|1,0,2]=4 43 B6R0.1 C([C@@H](C=O)[NH3+])S[SeH] EYS [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 C([C@H](CSO)O)O SGL [0,1,0,0,0,0|2,0,1]=4 45 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|0,0,2]=3 46 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|3,0,0]=4 47 B6R0.4 B(CCCC)(O)O BUB [0,1,0,0,0,0|1,0,1]=3 48 B6R0.4 C#CCCC(=O)O 54L [0,1,0,0,0,0|0,0,2]=3 49 B6R0.4 C(CC(=O)O)C=O SSN [0,1,0,0,0,0|1,0,1]=3 50 B6R0.4 C(CC(=O)O)CBr 0A5 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.4 C(CC(=O)O)CN ABU [0,1,0,0,0,0|1,0,0]=2 52 B6R0.4 C(CSS)C(=O)O 3SS [0,1,0,0,0,0|2,0,0]=3 53 B6R0.4 CC(C)CCC=O MOP [0,1,0,0,0,0|0,0,0]=1 54 B6R0.4 CCCCC(=O)O LEA [0,1,0,0,0,0|0,0,0]=1 55 B6R0.4 CCCCC(=O)O PEI [0,1,0,0,0,0|0,0,0]=1 56 B6R0.4 CCCOC(=O)C 4PA [0,1,0,0,0,0|1,0,0]=2 57 B6R0.4 CCNCC(=O)O 2JC [0,1,0,0,0,0|1,0,0]=2 58 B6R0.4 CN(C)CCCN DIB [0,1,0,0,0,0|2,0,1]=4 59 B6R0.6 C(CC=N)CC=O ARN [0,1,0,0,0,0|0,0,1]=2 60 B6R0.6 C(CC=O)CC=O PTD [0,1,0,0,0,0|0,0,1]=2 61 B6R0.6 C(CCN)CCN N2P [0,1,0,0,0,0|1,0,1]=3 62 B6R0.6 C(CCNN)CN 01H [0,1,0,0,0,0|2,0,0]=3 63 B6R0.6 C(CCO)CC=O GAQ [0,1,0,0,0,0|0,0,0]=1 64 B6R0.6 C(COCC=O)O 1KA [0,1,0,0,0,0|1,0,0]=2 65 B6R0.6 C(COCCO)O PEG [0,1,0,0,0,0|1,0,2]=4 66 B6R0.6 CCCCCCC HP6 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.6 CCCCCCO HE2 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.6 CCCCNC=O YIV [0,1,0,0,0,0|0,0,0]=1 69 B6R0.6 CCCSCCO 266 [0,1,0,0,0,0|0,0,2]=3 70 B6R1.1 C1CCCCC1 CHX [0,0,0,1,0,0|1,0,1]=3 71 B6R1.1 C1CCNCC1 PIP [0,0,0,1,0,0|1,0,1]=3 72 B6R1.1 C1CCOCC1 PYE [0,0,0,1,0,0|0,0,2]=3 73 B6R1.1 C1CNCCN1 PZE [0,0,0,1,0,0|2,0,1]=4 74 B6R1.1 C1COCCN1 6LR [0,0,0,1,0,0|1,0,2]=4 75 B6R1.1 C1COCCO1 DIO [0,0,0,1,0,0|1,0,2]=4 76 B6R1.1 C1COCCO1 DOX [0,0,0,1,0,0|1,0,2]=4 77 B6R1.2 C1CC(=O)NC1 BAQ [0,0,0,1,0,0|1,0,0]=2 78 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,1,0,0|1,0,0]=2 79 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,1,0,0|0,0,0]=1 80 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|1,0,1]=3 81 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|0,0,2]=3 82 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,1,0,0|1,0,2]=4 84 B6R1.2 C1CSC(=N1)N ATQ [0,0,0,1,0,0|3,0,0]=4 85 B6R1.3 COCC1CC1 09U [0,0,0,1,0,0|2,0,0]=3 86 B3R0.1 C(=O)C=O GXT [2,0,0,0,0,0|1,0,1]=4 87 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|1,0,0]=3 88 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,0,1]=4 89 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 90 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 91 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,0,1]=4 92 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|1,0,1]=4 93 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|1,0,1]=4 94 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,1,0]=4 95 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,1,0]=4 96 B3R0.1 C(CS)O BME [2,0,0,0,0,0|1,0,1]=4 97 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|1,0,1]=4 98 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|1,1,0]=4 99 B3R0.1 C(N)[SH]=O OSM [2,0,0,0,0,0|2,0,0]=4 100 B3R0.1 C([C-]=O)[NH-] GLY_LL [2,0,0,0,0,0|1,0,1]=4 101 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [2,0,0,0,0,0|1,0,1]=4 102 B3R0.1 C=CCN AYE [2,0,0,0,0,0|1,0,1]=4 103 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|1,0,1]=4 104 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 105 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,0,0]=2 106 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,0,0]=2 107 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 108 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,0]=2 109 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,0]=2 110 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,0]=2 111 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,0]=3 112 B3R0.1 CCCO POL [2,0,0,0,0,0|0,0,1]=3 113 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,1,0]=3 114 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,0,0]=3 115 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,0]=3 116 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,0]=3 117 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 118 B3R0.1 CNC=S MTF [2,0,0,0,0,0|1,1,0]=4 119 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|1,0,1]=4 120 B3R0.1 N=C\CN AEM [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 C(C(=O)O)ON AOA [1,1,0,0,0,0|2,0,0]=4 122 B5R0.1 C(CN)C(=O)O BAL [1,1,0,0,0,0|1,0,0]=3 123 B5R0.1 C(CO)C(=O)O 3OH [1,1,0,0,0,0|1,0,0]=3 124 B5R0.1 C(CS)C(=O)O MPT [1,1,0,0,0,0|1,0,0]=3 125 B5R0.1 C(C[SeH])C(=O)O SLP [1,1,0,0,0,0|1,0,0]=3 126 B5R0.1 C=C(CCO)Br 3BB [1,1,0,0,0,0|1,0,1]=4 127 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|1,0,0]=3 128 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|1,0,0]=3 129 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|0,0,1]=3 130 B5R0.1 CC=CC(=O)O BEO [1,1,0,0,0,0|0,0,2]=4 131 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|0,0,0]=2 132 B5R0.1 CCCC(=O)N BMD [1,1,0,0,0,0|0,0,0]=2 133 B5R0.1 CCCC(=O)O BUA [1,1,0,0,0,0|0,0,0]=2 134 B5R0.1 CCC[N+](=O)[O-] N1P [1,1,0,0,0,0|1,0,0]=3 135 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|1,0,0]=3 136 B5R0.1 CCOC(=O)O 01F [1,1,0,0,0,0|1,0,0]=3 137 B5R0.1 CCO[P@H](=O)O ATJ [1,1,0,0,0,0|2,0,0]=4 138 B5R0.1 CCSC(=N)N ITU [1,1,0,0,0,0|2,0,0]=4 139 B5R0.1 CCSC(=N)N SEU [1,1,0,0,0,0|2,0,0]=4 140 B5R0.1 CNCC(=O)O MGY [1,1,0,0,0,0|1,0,0]=3 141 B5R0.1 CNCC(=O)O SAR [1,1,0,0,0,0|1,0,0]=3 142 B5R0.1 CSCC(=O)[O-] MTG [1,1,0,0,0,0|1,0,0]=3 143 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|2,0,0]=4 144 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|0,0,0]=2 146 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 C[Se]CC(=O)[O-] MSF [1,1,0,0,0,0|1,0,0]=3 148 B5R0.1 C[Te]CC(=O)[O-] MTD [1,1,0,0,0,0|1,0,0]=3 149 B5R0.1 N=C(/N)\NCC EGD [1,1,0,0,0,0|2,0,0]=4 150 B5R0.1 N=C(\N)/[Se]CC ISU [1,1,0,0,0,0|2,0,0]=4 151 B5R0.3 C(C(C=O)O)O GXV [1,1,0,0,0,0|1,0,0]=3 152 B5R0.3 C(C(CCl)Cl)Cl 3KP [1,1,0,0,0,0|2,0,0]=4 153 B5R0.3 C(C(CO)N)O SEL [1,1,0,0,0,0|1,0,1]=4 154 B5R0.3 C(C(CO)O)O CRY [1,1,0,0,0,0|1,0,1]=4 155 B5R0.3 C(C(CO)O)O GOL [1,1,0,0,0,0|1,0,1]=4 156 B5R0.3 C([C@@H](CCl)Cl)O D2P [1,1,0,0,0,0|1,0,1]=4 157 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [1,1,0,0,0,0|1,0,1]=4 158 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [1,1,0,0,0,0|1,0,1]=4 159 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [1,1,0,0,0,0|1,0,1]=4 160 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [1,1,0,0,0,0|1,0,1]=4 161 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [1,1,0,0,0,0|1,0,1]=4 164 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 C([C@H](C=O)O)O 3GR [1,1,0,0,0,0|1,0,0]=3 166 B5R0.3 C([C@H](CS)O)O SGM [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 CCC(CC)N D0M [1,1,0,0,0,0|0,0,1]=3 168 B5R0.3 CC[C@H](C)CN DCI [1,1,0,0,0,0|1,0,0]=3 169 B5R0.3 CC[C@H](C)CN MBA [1,1,0,0,0,0|1,0,0]=3 170 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [0,2,0,0,0,0|1,0,1]=4 171 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,2,0,0,0,0|1,0,0]=3 172 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL [0,2,0,0,0,0|1,0,1]=4 173 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL [0,2,0,0,0,0|1,0,1]=4 174 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,2,0,0,0,0|1,0,0]=3 179 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,2,0,0,0,0|1,0,0]=3 180 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [0,2,0,0,0,0|0,0,0]=2 181 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,2,0,0,0,0|0,0,2]=4 182 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [0,2,0,0,0,0|0,0,1]=3 183 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [0,2,0,0,0,0|0,0,1]=3 184 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,2,0,0,0,0|0,0,2]=4 185 B7R0.3 C=CCC[C@@H](CO)O 217 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.3 CCCC[C@@H](C=O)N LYW [0,2,0,0,0,0|0,0,0]=2 187 B7R0.3 CCCC[C@@H](CO)N 2AO [0,2,0,0,0,0|0,0,2]=4 188 B7R0.3 CCCC[C@@H](CO)O 0RE [0,2,0,0,0,0|0,0,2]=4 189 B7R0.3 CCCC[C@H](CO)O 7FB [0,2,0,0,0,0|0,0,2]=4 190 B7R0.3 COC(=O)CCCN GVE [0,2,0,0,0,0|1,0,0]=3 191 B7R0.3 CSCC[C@@H]([C-]=O)[NH-] MET_LL [0,2,0,0,0,0|0,0,1]=3 192 B7R0.3 CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 [0,2,0,0,0,0|0,0,1]=3 193 B7R0.5 C#CC[C@@H](C(=O)O)N LPH [0,2,0,0,0,0|0,0,2]=4 194 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.5 C(CN)[C@@H](C(=O)O)N DAB [0,2,0,0,0,0|1,0,0]=3 196 B7R0.5 C(CN)[C@H](C(=O)O)N 4FO [0,2,0,0,0,0|1,0,0]=3 197 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [0,2,0,0,0,0|1,0,0]=3 198 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,2,0,0,0,0|1,0,1]=4 199 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [0,2,0,0,0,0|1,0,0]=3 200 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [0,2,0,0,0,0|1,0,0]=3 201 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [0,2,0,0,0,0|1,0,0]=3 202 B7R0.5 C([C@@H](C(=O)O)N)SO CEA [0,2,0,0,0,0|2,0,0]=4 203 B7R0.5 C([C@@H](C(=O)O)N)SO CSO [0,2,0,0,0,0|2,0,0]=4 204 B7R0.5 C([C@@H](C(=O)O)N)SS CSS [0,2,0,0,0,0|2,0,0]=4 205 B7R0.5 C([C@@H](C(=O)O)N)S[Pb+] CSB [0,2,0,0,0,0|2,0,0]=4 206 B7R0.5 C([C@@H](C(=O)O)N)S[SeH] CSZ [0,2,0,0,0,0|2,0,0]=4 207 B7R0.5 C([C@@H](C(=O)O)N)[SH]=O CSX [0,2,0,0,0,0|2,0,0]=4 208 B7R0.5 C([C@@H](C(=O)O)N)[SeH]=O UOX [0,2,0,0,0,0|2,0,0]=4 209 B7R0.5 C([C@@H](C(=O)O)N)[Se]S PSW [0,2,0,0,0,0|2,0,0]=4 210 B7R0.5 C=CC[C@@H](C(=O)O)N 2AG [0,2,0,0,0,0|0,0,2]=4 211 B7R0.5 C=CC[C@H](C(=O)O)N DYL [0,2,0,0,0,0|0,0,2]=4 212 B7R0.5 CCCC(=O)C(=O)O 69O [0,2,0,0,0,0|0,0,1]=3 213 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [0,2,0,0,0,0|0,0,0]=2 214 B7R0.5 CCC[C@@H](C(=O)O)N BTA [0,2,0,0,0,0|0,0,0]=2 215 B7R0.5 CCC[C@@H](C(=O)O)N NVA [0,2,0,0,0,0|0,0,0]=2 216 B7R0.5 CCC[C@@H](C(=O)O)N RON [0,2,0,0,0,0|0,0,0]=2 217 B7R0.5 CCS[C@@H](C(=O)O)N GSC [0,2,0,0,0,0|1,0,0]=3 218 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.5 CSC[C@@H](C(=O)O)N CYM [0,2,0,0,0,0|1,0,0]=3 220 B7R0.5 CSC[C@@H](C(=O)O)N SMC [0,2,0,0,0,0|1,0,0]=3 221 B7R0.5 CSC[C@H](C(=O)O)N 060 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|0,0,2]=4 223 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,2,0,0,0,0|0,0,1]=3 224 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,2,0,0,0,0|0,0,1]=3 225 B7R0.4 C(CCO)CC(=O)O SHO [0,2,0,0,0,0|0,0,0]=2 226 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,2,0,0,0,0|0,0,0]=2 227 B7R0.4 C(CNC(=[NH2+])N)CO PG3 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.4 C(COCC(=O)O)O VKC [0,2,0,0,0,0|1,0,0]=3 229 B7R0.4 C(CSCC(=O)O)N ESD [0,2,0,0,0,0|1,0,0]=3 230 B7R0.4 C(C[O-])CO[P+](=O)[O-] P1P [0,2,0,0,0,0|2,0,0]=4 231 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,2,0,0,0,0|0,0,2]=4 232 B7R0.4 CCCCCC(=O)C HTX [0,2,0,0,0,0|0,0,0]=2 233 B7R0.4 CCCCCC(=O)O 6NA [0,2,0,0,0,0|0,0,0]=2 234 B7R0.4 CCCCOC(=O)C 8JZ [0,2,0,0,0,0|0,0,0]=2 235 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,2,0,0,0,0|1,0,0]=3 236 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,2,0,0,0,0|1,0,1]=4 237 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,2,0,0,0,0|2,0,0]=4 238 B7R0.6 CC(=O)CCC(=O)O SHF [0,2,0,0,0,0|0,0,1]=3 239 B7R0.6 CC(=O)NCC(=O)O AAC [0,2,0,0,0,0|1,0,1]=4 240 B7R0.6 CC(C)CCC(=O)O 4MV [0,2,0,0,0,0|0,0,0]=2 241 B7R0.6 CC(C)COC(=O)O IBU [0,2,0,0,0,0|1,0,0]=3 242 B7R0.6 CC(C)NCC(=O)O IPG [0,2,0,0,0,0|1,0,0]=3 243 B7R0.6 CS(C)CCC(=O)O DQY [0,2,0,0,0,0|1,0,0]=3 244 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,2,0,0,0,0|0,0,0]=2 245 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,2,0,0,0,0|0,0,2]=4 246 B7R0.8 C(CN)CS(=O)(=O)O A20 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.8 C(CO)CS(=O)(=O)O 54O [0,2,0,0,0,0|2,0,0]=4 248 B7R0.8 CCCCP(=O)(O)O CCP [0,2,0,0,0,0|1,0,0]=3 249 B7R0.1 C(CCC=O)CCN DNL [0,2,0,0,0,0|0,0,0]=2 250 B7R0.1 C(CCCBr)CCO BHL [0,2,0,0,0,0|0,0,2]=4 251 B7R0.1 C(CCCN)CCN 16D [0,2,0,0,0,0|1,0,1]=4 252 B7R0.1 C(CCCO)CCN 6AH [0,2,0,0,0,0|0,0,2]=4 253 B7R0.1 C(CCCO)CCO HEZ [0,2,0,0,0,0|0,0,2]=4 254 B7R0.1 CCCCCCC#N CNX [0,2,0,0,0,0|1,0,1]=4 255 B7R0.1 CCCCCCCC OCT [0,2,0,0,0,0|1,0,1]=4 256 B7R0.1 CCCCCCCO HE4 [0,2,0,0,0,0|0,0,2]=4 257 B7R0.1 CCCSSCCC SSP [0,2,0,0,0,0|1,0,1]=4 258 B7R0.1 COCCOCCO PG0 [0,2,0,0,0,0|0,0,2]=4 259 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|1,0,0]=3 260 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|0,0,1]=3 261 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|0,0,1]=3 262 B7R1.1 C1CCN(C1)C=O FP6 [0,1,0,1,0,0|0,0,0]=2 263 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,1,0,1,0,0|1,0,1]=4 264 B7R1.1 C1C[C@H](NC1)C=O PRI [0,1,0,1,0,0|0,0,0]=2 265 B7R1.1 C1C[C@H](NC1)CN P2Y [0,1,0,1,0,0|1,0,1]=4 266 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [0,1,0,1,0,0|0,0,1]=3 267 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [0,1,0,1,0,0|0,0,1]=3 268 B7R1.2 C1CC(=O)CC1=O CEJ [0,1,0,1,0,0|0,0,1]=3 269 B7R1.3 C1CC=CC(=O)C1 A2Q [0,1,0,1,0,0|0,0,1]=3 270 B7R1.3 C1CCC(=O)CC1 CYH [0,1,0,1,0,0|0,0,0]=2 271 B7R1.3 C1CCC(CC1)O CXL [0,1,0,1,0,0|0,0,2]=4 272 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,1,0,1,0,0|1,0,1]=4 273 B7R1.3 C1CCNC(=N)C1 2IM [0,1,0,1,0,0|1,0,0]=3 274 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,1,0,0|1,0,0]=3 275 B7R1.4 C1COC(=O)[C@H]1N HSL [0,1,0,1,0,0|1,0,0]=3 276 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,1,0,0|0,0,2]=4 277 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,1,0,1,0,0|2,0,0]=4 278 B7R1.4 CN1CCCC1=O MB3 [0,1,0,1,0,0|0,0,0]=2 279 B7R1.4 CN1CCOC1=O 3MO [0,1,0,1,0,0|1,0,0]=3 280 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,1,0,1,0,0|0,0,2]=4 281 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.18 C1CN[C@@H]1C(=O)O 02A [0,1,0,1,0,0|1,0,0]=3 283 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,2,0,0|0,0,2]=4