0 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,0|0,0,0]=0 5 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,0|1,0,0]=1 7 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 N=C(\N)/NCC(=O)O NMG [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 B(CCCC)(O)O BUB [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 C#CCCC(=O)O 54L [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|1,0,0]=2 16 B6R0.4 C(CSS)C(=O)O 3SS [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CC(C)CCC=O MOP [1,0,0,0,0,0|0,0,0]=1 18 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|0,0,0]=1 19 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|0,0,0]=1 20 B6R0.4 CCCOC(=O)C 4PA [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CN(C)CCCN DIB [1,0,0,0,0,0|2,0,1]=4 23 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,1,0,0,0,0|2,0,0]=3 24 B8R0.9 C(CC(=O)N)[C@@H]([C-]=O)[NH-] GLN_LL [0,1,0,0,0,0|2,0,1]=4 25 B8R0.9 C(CC(=O)N)[C@@H]([C-]=O)[NH3+] GLN_LSN3 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.9 C(CC(=O)O)C(=O)C=O HKV [0,1,0,0,0,0|1,0,2]=4 27 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,1,0,0,0,0|1,0,1]=3 29 B8R0.9 C(CC(=O)O)C(C=O)N GLQ [0,1,0,0,0,0|1,0,1]=3 30 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,0,0,0,0|1,0,0]=2 31 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,0,0,0,0|1,0,0]=2 32 B8R0.9 C(CC(=O)O)[C@@H]([C-]=O)[NH-] GLU_LL [0,1,0,0,0,0|1,0,1]=3 33 B8R0.9 C(CC(=O)O)[C@@H]([C-]=O)[NH3+] GLU_LSN3 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.9 C(CC(=O)[O-])[C@@H]([C-]=O)[NH-] GLU_LL_DHE2 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.9 C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+] GLU_LSN3_DHE2 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.9 C/C=C(\CCC(=O)O)/N GEG [0,1,0,0,0,0|1,0,1]=3 37 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,1,0,0,0,0|3,0,0]=4 38 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,0,0,0,0|3,0,0]=4 39 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,0,0,0,0|1,0,0]=2 40 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,0|1,0,1]=3 41 B8R0.9 COC(CCC(=O)O)O HMB [0,1,0,0,0,0|1,0,0]=2 42 B8R0.9 N=C/[C@H](CCC(=O)N)N 0JU [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 *=C(*)C[C@@H](C(=O)O)N ASX [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 B([C@H](CC(C)C)N)(O)O BLE [0,1,0,0,0,0|1,0,1]=3 45 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O XSN [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH [0,1,0,0,0,0|2,0,1]=4 50 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O IAS [0,1,0,0,0,0|2,0,1]=4 51 B8R0.23 C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 C([C@@H](C(=O)O)N)C(F)F OBF [0,1,0,0,0,0|2,0,0]=3 53 B8R0.23 C([C@@H](C(=O)O)N)C(O)O UN2 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O CSW [0,1,0,0,0,0|3,0,0]=4 55 B8R0.23 C([C@@H](C(=O)O)N)[S@@](=O)O CSD [0,1,0,0,0,0|3,0,0]=4 56 B8R0.23 C([C@@H](C(=O)O)N)[SeH](=O)=O SOC [0,1,0,0,0,0|3,0,0]=4 57 B8R0.23 C([C@@H](C(=O)O)N)[Se](=O)O SE7 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O LMR [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O ASI [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 C([C@@H](C(O)O)N)C(=O)O AKZ [0,1,0,0,0,0|2,0,0]=3 66 B8R0.23 C([C@H](C(=O)O)N)C(=O)N DSG [0,1,0,0,0,0|2,0,1]=4 67 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DAS [0,1,0,0,0,0|2,0,1]=4 68 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DSP [0,1,0,0,0,0|2,0,1]=4 69 B8R0.23 C([C@H](C(=O)O)O)C(=O)O DMR [0,1,0,0,0,0|2,0,1]=4 70 B8R0.23 C([C@H](C(=O)O)O)C(=O)O MLT [0,1,0,0,0,0|2,0,1]=4 71 B8R0.23 C=C(C[C@@H](C(=O)O)N)Br A8E [0,1,0,0,0,0|1,0,2]=4 72 B8R0.23 CC(=O)[C@H](CC(=O)O)N ASK [0,1,0,0,0,0|1,0,1]=3 73 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,0|0,0,1]=2 74 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,0,0|0,0,0]=1 75 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,0|1,0,0]=2 76 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,0,0|1,0,0]=2 77 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,0,0|1,0,0]=2 78 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,0,0|0,0,0]=1 79 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,0,0|0,0,0]=1 80 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,0,0|0,0,0]=1 81 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,0,0|0,0,0]=1 82 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,0,0|0,0,0]=1 83 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,0,0|0,0,0]=1 84 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,0,0|0,0,1]=2 85 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,0,0|0,0,1]=2 86 B8R0.23 CC(C)C[C@@H](C(O)O)N LOL [0,1,0,0,0,0|0,0,2]=3 87 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,0,0|0,0,0]=1 88 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,0,0|0,0,0]=1 89 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,0|1,0,1]=3 90 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,0,0|0,0,0]=1 91 B8R0.23 CC(CC(=O)O)C(=O)O JO3 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.23 CN(CC(=O)O)C(N)N IOM [0,1,0,0,0,0|3,0,0]=4 93 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AYA [0,1,0,0,0,0|2,0,1]=4 94 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SUH [0,1,0,0,0,0|2,0,1]=4 95 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,0,0|0,0,0]=1 96 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,1,0,0,0,0|1,0,0]=2 97 B8R0.23 N=C(\C[C@@H](C(=O)O)N)/O 41Q [0,1,0,0,0,0|2,0,1]=4 98 B8R0.29 C(CP(=O)(O)O)C(=O)O 3PP [0,1,0,0,0,0|3,0,0]=4 99 B8R0.29 C(CS(=O)(=O)O)C(=O)O X1S [0,1,0,0,0,0|3,0,0]=4 100 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,1,0,0,0,0|1,0,0]=2 101 B8R0.29 CC(C)CO[P@@](=O)(C)O VR [0,1,0,0,0,0|2,0,0]=3 102 B8R0.29 CN(C)CCS(=O)(=O)O ASZ [0,1,0,0,0,0|2,0,0]=3 103 B8R1.3 C1CC(CCC1N)O SZ3 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.3 C1CC(CCC1O)O 71J [0,0,0,1,0,0|2,0,1]=4 105 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,1,0,0|2,0,1]=4 106 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,1,0,0|2,0,1]=4 107 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,1,0|2,0,1]=4 108 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,1,0|2,0,1]=4 109 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,1,0|2,0,1]=4 110 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,1,0|2,0,1]=4 111 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,1,0|1,0,1]=3 112 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,1,0|1,0,1]=3 113 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,1,0|0,0,0]=1 114 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,1,0|2,0,1]=4 115 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,1,0|3,0,0]=4 116 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,1,0|1,0,0]=2 117 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,1,0|1,0,0]=2 118 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,1,0|1,0,0]=2 119 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,1,0|1,0,0]=2 120 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,1,0|1,0,0]=2 121 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,0,0,0,0,1|2,0,1]=4 122 B8R0.28 C(C(=O)O)SCC(=O)O 9X6 [0,0,0,0,0,1|2,0,1]=4 123 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,0,0,0,0,1|2,0,1]=4 124 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [0,0,0,0,0,1|3,0,0]=4 125 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,0,0,0,0,1|2,0,1]=4 126 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,1|1,0,1]=3 127 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,0,1|1,0,1]=3 128 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,1|0,0,0]=1 129 B5R0.1 C(C(=O)O)ON AOA [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CC(=O)CCO BUQ [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CC(C)CCN LEN [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 CC(C)CCO IP3 [2,0,0,0,0,0|0,0,0]=2 137 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,2]=4 138 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,0]=3 140 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|0,0,0]=2 141 B5R0.1 CCC[N+](=O)[O-] N1P [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,0]=3 144 B5R0.1 CCO[P@H](=O)O ATJ [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|1,0,0]=3 146 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|1,0,1]=4 148 B5R0.1 C[C@@H](CCO)O BU2 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|1,0,0]=3 150 B5R0.1 C[C@H](CCO)O BU4 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|1,0,1]=4 152 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|1,0,1]=4 153 B5R0.2 C(CCO)CO BU1 [2,0,0,0,0,0|1,0,1]=4 154 B5R0.2 C(CCO)C[NH3+] 4HA [2,0,0,0,0,0|1,0,1]=4 155 B5R0.2 C(CCl)NC=O CEC [2,0,0,0,0,0|2,0,0]=4 156 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|1,0,1]=4 157 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,0]=2 158 B5R0.2 CCCCCBr 5BR [2,0,0,0,0,0|1,0,1]=4 159 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|1,0,1]=4 160 B5R0.2 CCCCCCl 7CL [2,0,0,0,0,0|1,0,1]=4 161 B5R0.2 CCCCCN AML [2,0,0,0,0,0|1,0,1]=4 162 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|0,0,1]=3 163 B5R0.2 CCCC[N+]#[C-] NBN [2,0,0,0,0,0|2,0,0]=4 164 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,1]=4 165 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [1,1,0,0,0,0|1,0,1]=4 166 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [1,1,0,0,0,0|1,0,0]=3 167 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL [1,1,0,0,0,0|1,0,1]=4 168 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.2 C([C@H](CO)N)C(=O)O B3S [1,1,0,0,0,0|1,0,0]=3 170 B7R0.2 C([C@H](CS)N)C(=O)O BCX [1,1,0,0,0,0|1,0,0]=3 171 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [1,1,0,0,0,0|0,0,0]=2 172 B7R0.2 CC(C)C[C@@H](CO)N DCL [1,1,0,0,0,0|0,0,1]=3 173 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [1,1,0,0,0,0|0,0,1]=3 174 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [1,1,0,0,0,0|0,0,1]=3 175 B7R0.3 C(C[C@@H](CO)O)CO XXD [1,1,0,0,0,0|1,0,1]=4 176 B7R0.3 C=CCC[C@@H](CO)O 217 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.3 CCCC[C@@H](C=O)N LYW [1,1,0,0,0,0|1,0,1]=4 178 B7R0.3 CCCC[C@@H](CO)N 2AO [1,1,0,0,0,0|1,0,1]=4 179 B7R0.3 CCCC[C@@H](CO)O 0RE [1,1,0,0,0,0|0,0,2]=4 180 B7R0.3 CCCC[C@H](CO)O 7FB [1,1,0,0,0,0|0,0,2]=4 181 B7R0.3 COC(=O)CCCN GVE [1,1,0,0,0,0|1,0,0]=3 182 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|0,0,0]=2 183 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|0,0,0]=2 184 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|1,0,0]=3 185 B7R0.4 C(CSCC(=O)O)N ESD [1,1,0,0,0,0|1,0,0]=3 186 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|0,0,2]=4 187 B7R0.4 CCCCCC(=O)C HTX [1,1,0,0,0,0|1,0,0]=3 188 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|0,0,0]=2 189 B7R0.4 CCCCOC(=O)C 8JZ [1,1,0,0,0,0|1,0,0]=3 190 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.5 C#CC[C@@H](C(=O)O)N LPH [1,1,0,0,0,0|0,0,2]=4 192 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.5 C(CN)[C@@H](C(=O)O)N DAB [1,1,0,0,0,0|1,0,0]=3 194 B7R0.5 C(CN)[C@H](C(=O)O)N 4FO [1,1,0,0,0,0|1,0,0]=3 195 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [1,1,0,0,0,0|1,0,0]=3 196 B7R0.5 C(CO)C(=O)C(=O)O VGX [1,1,0,0,0,0|1,0,1]=4 197 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [1,1,0,0,0,0|1,0,0]=3 198 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [1,1,0,0,0,0|1,0,0]=3 199 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [1,1,0,0,0,0|1,0,0]=3 200 B7R0.5 C([C@@H](C(=O)O)N)SO CEA [1,1,0,0,0,0|2,0,0]=4 201 B7R0.5 C([C@@H](C(=O)O)N)SO CSO [1,1,0,0,0,0|2,0,0]=4 202 B7R0.5 C([C@@H](C(=O)O)N)SS CSS [1,1,0,0,0,0|2,0,0]=4 203 B7R0.5 C([C@@H](C(=O)O)N)S[Pb+] CSB [1,1,0,0,0,0|2,0,0]=4 204 B7R0.5 C([C@@H](C(=O)O)N)S[SeH] CSZ [1,1,0,0,0,0|2,0,0]=4 205 B7R0.5 C([C@@H](C(=O)O)N)[SH]=O CSX [1,1,0,0,0,0|2,0,0]=4 206 B7R0.5 C([C@@H](C(=O)O)N)[SeH]=O UOX [1,1,0,0,0,0|2,0,0]=4 207 B7R0.5 C([C@@H](C(=O)O)N)[Se]S PSW [1,1,0,0,0,0|2,0,0]=4 208 B7R0.5 C=CC[C@@H](C(=O)O)N 2AG [1,1,0,0,0,0|0,0,2]=4 209 B7R0.5 C=CC[C@H](C(=O)O)N DYL [1,1,0,0,0,0|0,0,2]=4 210 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|0,0,1]=3 211 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [1,1,0,0,0,0|0,0,0]=2 212 B7R0.5 CCC[C@@H](C(=O)O)N BTA [1,1,0,0,0,0|0,0,0]=2 213 B7R0.5 CCC[C@@H](C(=O)O)N NVA [1,1,0,0,0,0|0,0,0]=2 214 B7R0.5 CCC[C@@H](C(=O)O)N RON [1,1,0,0,0,0|0,0,0]=2 215 B7R0.5 CCS[C@@H](C(=O)O)N GSC [1,1,0,0,0,0|1,0,0]=3 216 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.5 CSC[C@@H](C(=O)O)N CYM [1,1,0,0,0,0|1,0,0]=3 218 B7R0.5 CSC[C@@H](C(=O)O)N SMC [1,1,0,0,0,0|1,0,0]=3 219 B7R0.5 CSC[C@H](C(=O)O)N 060 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.8 C(CN)CS(=O)(=O)O A20 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.8 C(CO)CS(=O)(=O)O 54O [1,1,0,0,0,0|2,0,0]=4 222 B7R0.8 CCCCP(=O)(O)O CCP [1,1,0,0,0,0|1,0,0]=3 223 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,1,0|0,0,0]=2 224 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,1,0|1,0,0]=3 225 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,1,0|1,0,0]=3 226 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,1,0|1,0,0]=3 227 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,0,0,1,0|2,0,0]=4 228 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,0,0,1,0|2,0,0]=4 229 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,1,0,0,1,0|1,0,1]=4 230 B7R0.9 C[C@@H](CP(=O)(O)O)O S0H [0,1,0,0,1,0|2,0,0]=4 231 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,1,0,0,1,0|1,0,1]=4 232 B7R0.9 C[C@H](CP(=O)(O)O)O TB6 [0,1,0,0,1,0|2,0,0]=4 233 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,1,0|1,0,0]=3 234 B7R0.16 B([C@H](C(C)C)N)(O)O B2V [0,1,0,0,1,0|1,0,1]=4 235 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,1,0|1,0,1]=4 236 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,1,0|0,0,1]=3 237 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,1,0|1,0,0]=3 238 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,1,0|1,0,0]=3 239 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,1,0|0,0,0]=2 240 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,1,0|0,0,0]=2 241 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,1,0|0,0,0]=2 242 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,1,0|0,0,0]=2 243 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,1,0|0,0,1]=3 244 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,1,0|0,0,1]=3 245 B7R0.16 CC(C)[C@@H](C(O)O)N VAI [0,1,0,0,1,0|0,0,2]=4 246 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,1,0|0,0,0]=2 247 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,1,0|0,0,0]=2 248 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,1,0|1,0,0]=3 249 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,1,0|1,0,0]=3 250 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,1,0|1,0,0]=3 251 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,1,0,0,1,0|2,0,0]=4 252 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,1,0|1,0,0]=3 253 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,1,0|1,0,0]=3 254 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,1,0|1,0,0]=3 255 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,1,0|1,0,0]=3 256 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,1,0|1,0,0]=3 257 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,1,0|1,0,0]=3 258 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,1,0|1,0,0]=3 259 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,1,0,0,1,0|1,0,1]=4 260 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,1,0,0,1,0|1,0,1]=4 261 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,1,0,0,1,0|1,0,1]=4 262 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,1,0,0,1,0|1,0,1]=4 263 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,1,0|1,0,0]=3 264 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,1,0|1,0,0]=3 265 B7R0.16 [C@H](C(O)O)(C(=O)O)N DDZ [0,1,0,0,1,0|2,0,0]=4 266 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,1,0,0,0,1|0,0,1]=3 267 B9R0.7 C(CC(=O)O)[C@@H](C(O)O)N GLK [0,1,0,0,0,1|2,0,0]=4 268 B9R0.7 C(CC(N)N)[C@@H](C(=O)O)N XFW [0,1,0,0,0,1|2,0,0]=4 269 B9R0.7 C(CC(O)O)[C@@H](C(=O)O)N GLJ [0,1,0,0,0,1|2,0,0]=4 270 B9R0.7 CC(=O)CC[C@@H](C(=O)O)N ONL [0,1,0,0,0,1|1,0,1]=4 271 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N OAS [0,1,0,0,0,1|1,0,1]=4 272 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N SCY [0,1,0,0,0,1|1,0,1]=4 273 B9R0.7 CC(=O)[C@H](CCC(=O)O)N MKE [0,1,0,0,0,1|1,0,1]=4 274 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,1,0,0,0,1|0,0,0]=2 275 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,1,0,0,0,1|0,0,0]=2 276 B9R0.7 C[As](C)SC[C@@H](C(=O)O)N CAS [0,1,0,0,0,1|1,0,0]=3 277 B9R0.7 C[C@@H](C(=O)NCC(=O)O)S WJZ [0,1,0,0,0,1|1,0,1]=4 278 B9R0.7 C[C@H]([C@@H](CCC(=O)O)O)N KAH [0,1,0,0,0,1|1,0,0]=3 279 B9R0.7 C[C@H]([C@H](CCC(=O)O)N)O EKE [0,1,0,0,0,1|1,0,0]=3 280 B9R0.7 C[S@@](=O)CC[C@@H](C(=O)O)N SME [0,1,0,0,0,1|2,0,0]=4 281 B9R0.7 C[S@](=O)CC[C@@H](C(=O)O)N MHO [0,1,0,0,0,1|2,0,0]=4 282 B9R0.7 C[Se@@](=O)CC[C@@H](C(=O)O)N MSO [0,1,0,0,0,1|2,0,0]=4 283 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,1,0,0,0,1|0,0,0]=2 284 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N KMH [0,1,0,0,0,1|1,0,0]=3 285 B9R0.56 CC(=O)CCC[N+](C)(C)C CHH [0,1,0,0,0,1|2,0,0]=4 286 B9R0.56 CC(=O)CCC[N+](C)(C)C NWB [0,1,0,0,0,1|2,0,0]=4 287 B9R0.56 CC(=O)OCC[N+](C)(C)C ACH [0,1,0,0,0,1|2,0,0]=4 288 B9R0.56 CC(=O)SCC[N+](C)(C)C AT3 [0,1,0,0,0,1|2,0,0]=4 289 B9R0.56 C[N+](C)(C)CCCC(=O)O NM2 [0,1,0,0,0,1|1,0,0]=3 290 B9R0.56 C[N+](C)(C)CCCP(=O)O RTK [0,1,0,0,0,1|2,0,0]=4 291 B9R0.56 C[N+](C)(C)CCOC(=O)N CCE [0,1,0,0,0,1|2,0,0]=4 292 B9R0.56 C[N+](C)(C)NCCC(=O)O REE [0,1,0,0,0,1|1,0,0]=3 293 B9R0.21 CCC(=O)CCC(C)(C)O LTL [0,2,0,0,0,0|1,0,0]=3 294 B9R0.23 C([C@@H](C(=O)CCl)N)C(=O)O AKL [0,2,0,0,0,0|1,0,1]=4 295 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,2,0,0,0,0|0,0,0]=2 296 B9R0.23 CC(C)C[C@@H](C(=O)NC)N LNM [0,2,0,0,0,0|1,0,0]=3 297 B9R0.23 CC(C)C[C@@H](C(=O)NO)N LNO [0,2,0,0,0,0|0,0,0]=2 298 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,2,0,0,0,0|0,0,0]=2 299 B9R0.23 CC(C)C[C@@H]([C@H](CO)O)N 2MJ [0,2,0,0,0,0|0,0,2]=4 300 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N BIL [0,2,0,0,0,0|0,0,0]=2 301 B9R0.42 C([C@@H](CS)S)[C@@H](C(=O)O)N 81S [0,2,0,0,0,0|1,0,0]=3 302 B9R0.42 C([C@H](CS)S)[C@@H](C(=O)O)N 81R [0,2,0,0,0,0|1,0,0]=3 303 B9R0.42 CNC(=O)C[C@@H](C(=O)O)N MEN [0,2,0,0,0,0|1,0,1]=4 304 B9R0.42 CNC(=O)C[C@H](C(=O)O)N MND [0,2,0,0,0,0|1,0,1]=4 305 B9R0.42 C[C@@H](C[C@@H](C(=O)O)N)CF LEF [0,2,0,0,0,0|0,0,0]=2 306 B9R0.42 C[C@H](C[C@@H](C(=O)O)N)C=O LED [0,2,0,0,0,0|0,0,1]=3 307 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O 2WW [0,2,0,0,0,0|1,0,0]=3 308 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O PLE [0,2,0,0,0,0|1,0,0]=3 309 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O PLU [0,2,0,0,0,0|1,0,0]=3 310 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N 2ML [0,2,0,0,0,0|0,0,0]=2 311 B9R0.39 CC(C)C[C@@H](C(=O)O)NC MLE [0,2,0,0,0,0|0,0,0]=2 312 B9R0.39 CC(C)C[C@H](C(=O)O)NC MLU [0,2,0,0,0,0|0,0,0]=2 313 B9R0.39 CC(C)C[C@H](CN)C(=O)O 4L8 [0,2,0,0,0,0|0,0,0]=2 314 B9R0.39 CC(C)C[C@H](CS)C(=O)O SLE [0,2,0,0,0,0|0,0,0]=2 315 B9R0.57 C([C@@H](C(=O)O)N)C(F)(F)F 3EG [0,2,0,0,0,0|2,0,0]=4 316 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,2,0,0,0,0|0,0,0]=2 317 B9R0.57 CS(=O)(=O)C[C@@H](C(=O)O)N KNB [0,2,0,0,0,0|2,0,0]=4 318 B9R0.79 CC(C)N(C(=O)C(=O)O)O HIO [0,2,0,0,0,0|1,0,1]=4 319 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU [0,2,0,0,0,0|0,0,0]=2 320 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 [0,2,0,0,0,0|0,0,0]=2 321 B9R0.79 C[C@H]([C@@H](C(C)C)O)C(=O)O 28H [0,2,0,0,0,0|0,0,0]=2 322 B7R1.2 C1CC(=O)CC1=O CEJ [1,0,0,1,0,0|1,0,1]=4 323 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|1,0,1]=4 324 B7R1.3 C1CCC(=O)CC1 CYH [1,0,0,1,0,0|1,0,0]=3 325 B7R1.3 C1CCC(CC1)O CXL [1,0,0,1,0,0|1,0,1]=4 326 B7R1.3 C1CCNC(=N)C1 2IM [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 C1C[C@H](CN=C1)N XBB [1,0,0,1,0,0|2,0,0]=4 328 B7R1.7 CCCC[C@@H]1CO1 0PZ [1,0,0,1,0,0|1,0,1]=4 329 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|1,0,0]=3 330 B7R1.18 C1CN[C@@H]1C(=O)O 02A [1,0,0,1,0,0|1,0,0]=3 331 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F 4FB [0,0,0,1,0,1|1,0,0]=3 332 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HZP [0,0,0,1,0,1|1,0,0]=3 333 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F FP9 [0,0,0,1,0,1|1,0,0]=3 334 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HYP [0,0,0,1,0,1|1,0,0]=3 335 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O 0AZ [0,0,0,1,0,1|1,0,0]=3 336 B9R1.35 C1[C@H](NCC1=O)C(=O)O DPL [0,0,0,1,0,1|1,0,1]=4 337 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,0,0,1,0,1|0,0,0]=2 338 B9R1.85 C1CC1CNCC(=O)O NMC [0,0,0,1,0,1|0,0,0]=2 339 B9R1.1 C1CC(CCC1CO)O HB0 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.138 CC1(CCC(=O)N1C)C IP4 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.112 C1[C@@H](O1)C[C@@H](C(=O)O)N LIS [0,1,0,1,0,0|1,0,0]=3 342 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,0,0,0,2,0|2,0,0]=4 343 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,2,0|1,0,1]=4 344 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,2,0|2,0,0]=4 345 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,2,0|1,0,0]=3 346 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,2,0|0,0,0]=2 347 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,2,0|0,0,0]=2 348 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,2,0|1,0,1]=4 349 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,2,0|2,0,0]=4 350 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,2,0|2,0,0]=4 351 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,2,0|2,0,0]=4 352 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,2,0|1,0,0]=3 353 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,2,0|1,0,0]=3 354 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,2,0|1,0,0]=3 355 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,2,0|1,0,0]=3 356 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,2,0|1,0,0]=3 357 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,2,0|1,0,1]=4 358 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,2,0|1,0,1]=4 359 B5R0.5 C[C@@H](C(=S)O)N ALT [0,0,0,0,2,0|1,1,0]=4 360 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,2,0|2,0,0]=4 361 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,2,0|1,0,0]=3 362 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,2,0|1,0,0]=3 363 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,2,0|1,0,0]=3 364 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,2,0|1,0,0]=3 365 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,0,0,0,2,0|2,0,0]=4 366 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,0,2|0,0,0]=2