0 B5R0.5 B([C@H](C)N)(O)O B2A [0,0,0,0,0,0|3,1,0]=4 1 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,0,0|3,1,0]=4 7 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,0,0|1,1,1]=3 8 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,0,0|0,2,1]=3 9 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,0,0|2,1,1]=4 12 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,0,0|1,2,1]=4 14 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,0,0|2,1,1]=4 15 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,0,0|2,1,1]=4 17 B5R0.5 C[C@@H](C(=S)O)N ALT [0,0,0,0,0,0|2,0,2]=4 18 B5R0.5 C[C@@H](C(O)O)N ALV [0,0,0,0,0,0|2,1,0]=3 19 B5R0.5 C[C@@H]([C@H](C)O)O BUD [0,0,0,0,0,0|0,2,0]=2 20 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,0,0|0,2,1]=3 21 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,0,0|2,1,1]=4 22 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,0,0|2,1,1]=4 23 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,0,0|1,2,1]=4 24 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,0,0|1,2,1]=4 25 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [0,0,0,0,0,0|0,2,0]=2 26 B5R0.5 C[C@H]([C@H](C)O)O BU9 [0,0,0,0,0,0|0,2,0]=2 27 B4R0.1 B(CC)(O)O 3QD [1,0,0,0,0,0|2,1,0]=4 28 B4R0.1 C(C(=O)O)S MCR [1,0,0,0,0,0|1,1,1]=4 29 B4R0.1 C(C(=O)S)N GL3 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|1,1,1]=4 32 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|1,1,1]=4 33 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|1,1,1]=4 34 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|0,2,1]=4 35 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|1,1,1]=4 36 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|1,1,1]=4 37 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CCC(=O)N ROP [1,0,0,0,0,0|1,1,1]=4 40 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|1,1,1]=4 41 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|0,1,0]=2 42 B4R0.1 CC[N+](=O)[O-] NIE [1,0,0,0,0,0|2,1,0]=4 43 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,1,1]=4 44 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|1,1,0]=3 45 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,1,0]=3 47 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|0,2,0]=3 48 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|0,2,0]=3 49 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|1,1,1]=4 50 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|1,1,1]=4 51 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|1,1,0]=3 52 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,1,0]=3 53 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|0,2,0]=3 54 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|0,2,0]=3 55 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|1,1,0]=3 56 B4R0.1 SSS(S)S S5S [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 C([C@H](C(O)O)O)O 03W [0,1,0,0,0,0|1,2,0]=4 58 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,1,0,0,0,0|0,2,1]=4 59 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|2,0,0]=3 60 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,1,0,0,0,0|1,1,1]=4 63 B6R0.3 C[C@@H](C(=O)OC)N MA [0,1,0,0,0,0|1,1,1]=4 64 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,1,0,0,0,0|1,1,1]=4 65 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,1,0,0,0,0|1,1,0]=3 66 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|1,1,0]=3 67 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,1,0,0,0,0|1,1,1]=4 68 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,1,0,0,0,0|1,1,1]=4 69 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,1,0,0,0,0|1,1,1]=4 70 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,1,0,0,0,0|1,1,1]=4 71 B6R0.7 C[C@@H]([C@@](N)(O)[O-])O PY0 [0,1,0,0,0,0|1,2,0]=4 72 B6R0.7 C[C@H](C(C)(C)C)N 00D [0,1,0,0,0,0|2,0,0]=3 73 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,0,1|2,0,0]=3 74 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,1,0]=4 75 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,1,0]=4 78 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|0,2,0]=4 79 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|0,2,0]=4 80 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,0,0]=3 81 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,0,0]=3 82 B3R0.1 C(CS)O BME [2,0,0,0,0,0|0,1,0]=3 83 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|0,1,0]=3 84 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|0,0,0]=2 85 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 86 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,1,1]=4 87 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,1,1]=4 88 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 89 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,0]=2 90 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,0]=2 91 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,0]=2 92 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,0]=3 93 B3R0.1 CCCO POL [2,0,0,0,0,0|0,1,0]=3 94 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,0,0]=2 95 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,1,0]=4 96 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,0]=3 97 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,0]=3 98 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 99 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 100 B3R0.2 C(=S)(S)S KCS [2,0,0,0,0,0|1,0,1]=4 101 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|1,0,1]=4 102 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,1,1]=4 103 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,1,0]=3 104 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,1,0]=3 105 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|2,0,0]=4 106 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,1,0]=4 107 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|2,0,0]=4 108 B3R0.2 SS(=S)S S4H [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|0,1,1]=4 110 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|1,0,0]=3 111 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|0,1,1]=4 113 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|0,1,1]=4 114 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|1,1,0]=4 115 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|0,1,0]=3 116 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|0,1,1]=4 117 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|0,1,0]=3 118 B5R0.3 C(C(CCl)Cl)Cl 3KP [1,1,0,0,0,0|2,0,0]=4 119 B5R0.3 C(C(CO)N)O SEL [1,1,0,0,0,0|1,1,0]=4 120 B5R0.3 C(C(CO)O)O CRY [1,1,0,0,0,0|0,2,0]=4 121 B5R0.3 C(C(CO)O)O GOL [1,1,0,0,0,0|0,2,0]=4 122 B5R0.3 C([C@@H](CCl)Cl)O D2P [1,1,0,0,0,0|1,1,0]=4 123 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [1,1,0,0,0,0|1,0,1]=4 124 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.3 C([C@H](CS)O)O SGM [1,1,0,0,0,0|0,1,0]=3 126 B5R0.3 CCC(CC)N D0M [1,1,0,0,0,0|1,0,0]=3 127 B5R0.3 CC[C@H](C)CN DCI [1,1,0,0,0,0|1,0,0]=3 128 B5R0.3 CC[C@H](C)CN MBA [1,1,0,0,0,0|1,0,0]=3 129 B5R0.4 CC(C)(C)CN NPT [1,1,0,0,0,0|2,0,0]=4 130 B5R0.4 CC(C)(CN)N 4G6 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.4 CC[Si](C)(C)C CEQ [1,1,0,0,0,0|1,1,0]=4 132 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,1,0,0,0,1|2,0,0]=4 133 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,1,0,0,0,1|0,2,0]=4 134 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,1,0,0,0,1|0,2,0]=4 135 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,2,0,0,0,0|0,2,0]=4 136 B7R0.10 C([C@@H]([C@H](CS)O)O)S DTT [0,2,0,0,0,0|0,2,0]=4 137 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,2,0,0,0,0|0,2,0]=4 138 B7R0.10 C([C@H]([C@@H](CS)O)O)S DTV [0,2,0,0,0,0|0,2,0]=4 139 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,2,0,0,0,0|0,2,0]=4 140 B7R0.10 C([C@H]([C@H](CS)O)O)S DTU [0,2,0,0,0,0|0,2,0]=4 141 B7R0.13 CC(C)[C@@](C)(C#N)O ICN [0,2,0,0,0,0|1,1,0]=4 142 B7R0.13 C[C@H]([C@](C)(CN)O)O TSI [0,2,0,0,0,0|0,2,0]=4 143 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|1,1,0]=4 144 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,1,0,0|0,2,0]=4 145 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,0,0,0,0,2|0,2,0]=4