0 B5R0.1 C(CN)C(=O)O BAL [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CO)C(=O)O 3OH [0,0,0,0,0,0|2,1,1]=4 2 B5R0.1 C(CS)C(=O)O MPT [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C(C[SeH])C(=O)O SLP [0,0,0,0,0,0|2,1,1]=4 4 B5R0.1 C=C(CCO)Br 3BB [0,0,0,0,0,0|1,1,2]=4 5 B5R0.1 CC(=O)CCO BUQ [0,0,0,0,0,0|1,1,1]=3 6 B5R0.1 CC(C)CCN LEN [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)CCO IP3 [0,0,0,0,0,0|0,1,2]=3 8 B5R0.1 CC=CC(=O)O BEO [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCCC(=O)C PNH [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCCC(=O)N BMD [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CCCC(=O)O BUA [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCOC(=O)C EEE [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CCOC(=O)O 01F [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 CCSC(=N)N ITU [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 CCSC(=N)N SEU [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 C[C@@H](CCO)O BU2 [0,0,0,0,0,0|1,1,2]=4 17 B5R0.1 C[C@H](CCO)O BU4 [0,0,0,0,0,0|1,1,2]=4 18 B5R0.1 N=C(/N)\NCC EGD [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 N=C(\N)/[Se]CC ISU [0,0,0,0,0,0|4,0,0]=4 20 B4R0.1 C(=C(Cl)Cl)Cl TCV [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C(=O)C(=O)O GLV [1,0,0,0,0,0|2,1,0]=4 22 B4R0.1 C(C(=O)N)F FTM [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 C(C(=O)N)N GM1 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 C(C(=O)O)Br BRM [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C(C(=O)O)Br BXA [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C(C(=O)O)Cl R3W [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 C(C(=O)O)F FAH [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C(C(=O)O)I 04E [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 C(C(=O)O)N GLY [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 C(C(=O)O)N GLY_LFOH [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C(C(=O)O)O GOA [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 C(C(=O)O)S MCR [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C(C(=O)S)N GL3 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 C=C(CO)Br BRP [1,0,0,0,0,0|1,1,1]=4 38 B4R0.1 C=CC(=O)N 1HC [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C=CC(=O)O AKR [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(=C)C=C 61G [1,0,0,0,0,0|0,0,2]=3 41 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(=O)C=O PVL [1,0,0,0,0,0|1,1,0]=3 43 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|1,1,0]=3 47 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC(=O)NO HAE [1,0,0,0,0,0|2,1,0]=4 49 B4R0.1 CC(=O)OO F50 [1,0,0,0,0,0|2,1,0]=4 50 B4R0.1 CC(=O)O[Hg+] MAC [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|0,1,1]=3 52 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|0,0,0]=1 54 B4R0.1 CCC(=O)N ROP [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 CN(C)C=O DMF [1,0,0,0,0,0|1,1,0]=3 58 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|2,1,0]=4 59 B4R0.1 CNC(=O)N NMU [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CNC(=O)O RGI [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 COC(=O)O 000 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,1,1]=4 63 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|1,1,1]=4 67 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|1,1,1]=4 68 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,1,1]=4 70 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|1,1,1]=4 71 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|1,1,1]=4 72 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 N=C(\N)/NC MGX [1,0,0,0,0,0|3,0,0]=4 74 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|1,0,2]=4 76 B4R0.2 C/C=C/C=O CRD [1,0,0,0,0,0|0,1,1]=3 77 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|1,1,1]=4 78 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|1,0,2]=4 79 B4R0.2 CCCCC LNK [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 CCCCN LYT [1,0,0,0,0,0|1,0,2]=4 81 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|0,1,2]=4 82 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|1,1,1]=4 85 B4R0.2 COCCO MXE [1,0,0,0,0,0|1,1,1]=4 86 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|1,1,1]=4 87 B6R0.1 CCC(=O)OCC CA1 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 CCNC(=O)OC MEC [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 CCOC(=O)CN GEE [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 CCOC(=O)NC EMB [0,1,0,0,0,0|3,0,0]=4 91 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 C\C(=C\CO)\CO 6OM [0,1,0,0,0,0|0,1,0]=2 93 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,1,0,0,0,0|1,0,2]=4 94 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 C(C(=O)C(=O)O)F 65S [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,1,0,0,0,0|2,1,0]=4 98 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,1,0,0,0,0|2,1,0]=4 108 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,1,0,0,0,0|1,1,1]=4 109 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|0,1,2]=4 110 B6R0.3 CCC(=O)C(=O)O 2KT [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,1,0,0,0,0|2,1,0]=4 114 B6R0.3 N=C(/CO)\C(=O)O SRI [0,1,0,0,0,0|2,1,0]=4 115 B6R0.4 C(CSS)C(=O)O 3SS [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CC(C)CCC=O MOP [0,1,0,0,0,0|0,1,2]=4 117 B6R0.4 CCCOC(=O)C 4PA [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CN(C)CCCN DIB [0,1,0,0,0,0|2,0,1]=4 119 B6R0.5 CC(C)(C)CCN 2G3 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.5 CC(C)(C)CCO 33D [0,1,0,0,0,0|0,1,2]=4 121 B6R0.5 C[As](C)(C)CCO 1Y8 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.5 C[N+](C)(C)CCO CHT [0,1,0,0,0,0|1,1,1]=4 123 B6R0.5 C[N+](C)(C)CCS ETM [0,1,0,0,0,0|1,0,1]=3 124 B6R1.2 C1CC(=O)NC1 BAQ [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 C[n+]1ccsc1 3MT [0,0,0,1,0,0|1,0,2]=4 128 B6R1.2 Cc1c[nH]cn1 4MZ [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 Cc1c[nH]nc1 4PZ [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 Cc1cc[nH]c1 5MP [0,0,0,1,0,0|1,0,2]=4 131 B3R0.1 C(=C/Br)/Br CB0 [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 C(=CS)N TEE [2,0,0,0,0,0|1,0,0]=3 133 B3R0.1 C(=O)C=O GXT [2,0,0,0,0,0|1,1,0]=4 134 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|2,0,0]=4 135 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 C(CS)O BME [2,0,0,0,0,0|1,0,1]=4 138 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|1,0,1]=4 139 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|1,0,1]=4 140 B3R0.1 C=CC#N 6AC [2,0,0,0,0,0|1,0,1]=4 141 B3R0.1 C=CCN AYE [2,0,0,0,0,0|1,0,0]=3 142 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|0,1,0]=3 143 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,1,1]=4 144 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,1,1]=4 145 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,2]=4 147 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,2]=4 148 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,2]=4 149 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 CCCO POL [2,0,0,0,0,0|0,1,1]=4 151 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,0,1]=3 152 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,1]=4 153 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,1]=4 154 B3R0.1 CNC=S MTF [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 C\C=N\O AXO [2,0,0,0,0,0|1,1,0]=4 157 B3R0.1 N=C\CN AEM [2,0,0,0,0,0|2,0,0]=4 158 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 159 B3R0.2 C(=S)(S)S KCS [2,0,0,0,0,0|2,0,0]=4 160 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|0,0,0]=2 161 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,1,0]=3 162 B3R0.2 CC(=O)N ACM [2,0,0,0,0,0|1,1,0]=4 163 B3R0.2 CC(=O)N CNM [2,0,0,0,0,0|1,1,0]=4 164 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|1,1,0]=4 165 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|1,1,0]=4 166 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|1,1,0]=4 167 B3R0.2 CC(=O)[O-] ACT [2,0,0,0,0,0|1,1,0]=4 168 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,1,1]=4 169 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,1,1]=4 170 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|1,0,0]=3 171 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,1,0]=4 172 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|1,0,0]=3 173 B5R0.3 C(C(=O)CCl)Cl CHM [1,1,0,0,0,0|2,0,0]=4 174 B5R0.3 C(C(=O)CO)O 2HA [1,1,0,0,0,0|1,1,0]=4 175 B5R0.3 C([C@H](CS)O)O SGM [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 CC[C@H](C)CN DCI [1,1,0,0,0,0|0,0,2]=4 177 B5R0.3 CC[C@H](C)CN MBA [1,1,0,0,0,0|0,0,2]=4 178 B5R0.3 CNC(=O)NC MMU [1,1,0,0,0,0|2,0,0]=4 179 B5R0.3 COC(=O)CN MEU [1,1,0,0,0,0|2,0,0]=4 180 B5R0.4 CC(C)(C)CN NPT [1,1,0,0,0,0|1,0,1]=4 181 B5R0.4 CC(C)(CN)N 4G6 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.4 CC[Si](C)(C)C CEQ [1,1,0,0,0,0|0,1,1]=4 183 B5R0.5 CC(=O)C(=O)N PYM [1,1,0,0,0,0|1,1,0]=4 184 B5R0.5 CC(=O)C(=O)O PYR [1,1,0,0,0,0|1,1,0]=4 185 B5R0.5 CC(=O)N(C)C 5Y9 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [1,1,0,0,0,0|1,1,0]=4 187 B5R0.5 CC(C)C(=O)N IBO [1,1,0,0,0,0|0,1,1]=4 188 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|0,1,1]=4 189 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|0,1,1]=4 190 B5R0.5 CC(C)[C@@H](C)N CDE [1,1,0,0,0,0|0,0,2]=4 191 B5R0.5 C[C@@H](C(=O)C)N ALM [1,1,0,0,0,0|1,0,1]=4 192 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|1,0,1]=4 193 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|1,0,1]=4 194 B7R0.10 COC(=O)C(=C)CO 23W [0,2,0,0,0,0|1,1,0]=4 195 B7R0.10 COC(=O)[C@H](CS)N CMT [0,2,0,0,0,0|1,0,1]=4 196 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|0,1,1]=4 197 B7R1.1 c1cscc1CN BVC [0,1,0,1,0,0|0,0,2]=4 198 B7R1.3 C1CC=CC(=O)C1 A2Q [0,1,0,1,0,0|2,0,0]=4 199 B7R1.4 CN1CCCC1=O MB3 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.4 Cc1csc[n+]1C DTI [0,1,0,1,0,0|2,0,0]=4