0 B5R0.3 C(C(C=O)O)O GXV [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C([C@H](C=O)O)O 3GR [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CC[C@H](C)CN DCI [0,0,0,0,0,0|1,0,3]=4 3 B5R0.3 CC[C@H](C)CN MBA [0,0,0,0,0,0|1,0,3]=4 4 B5R0.3 CNC(=O)NC MMU [0,0,0,0,0,0|4,0,0]=4 5 B5R0.3 COC(=O)CN MEU [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(=C(Cl)Cl)Cl TCV [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 C(=O)(N)NO NHY [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 C(=O)C(=O)O GLV [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C(C(=O)N)F FTM [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C(C(=O)N)N GM1 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C(C(=O)O)Br BRM [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C(C(=O)O)Br BXA [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C(C(=O)O)Cl R3W [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C(C(=O)O)F FAH [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C(C(=O)O)I 04E [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C(C(=O)O)N GLY [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C(C(=O)O)N GLY_LFOH [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C(C(=O)O)O GOA [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C(C(=O)O)S MCR [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C(C(=O)S)N GL3 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=C(CO)Br BRP [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C=CC(=O)N 1HC [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 C=CC(=O)O AKR [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(=C)C=C 61G [1,0,0,0,0,0|0,0,1]=2 28 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(=O)C=O PVL [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(=O)NO HAE [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(=O)OO F50 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(=O)O[Hg+] MAC [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|0,0,1]=2 39 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|0,0,1]=2 41 B4R0.1 CCC(=O)N ROP [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|0,0,3]=4 44 B4R0.1 CC[N+](=O)[O-] NIE [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CN(C)C=O DMF [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CNC(=O)N NMU [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CNC(=O)O RGI [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 COC(=O)O 000 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 N=C(\N)/NC MGX [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 C(C=O)C=O MDD [1,0,0,0,0,0|1,0,1]=3 55 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 C/C=C/C=O CRD [1,0,0,0,0,0|0,0,0]=1 57 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|1,0,2]=4 58 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|1,0,1]=3 59 B6R0.1 C\C(=C\CO)\CO 6OM [0,1,0,0,0,0|0,0,2]=3 60 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [0,1,0,0,0,0|2,0,0]=3 62 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,1,0,0,0,0|2,0,1]=4 63 B6R0.3 C(C(=O)C(=O)O)F 65S [0,1,0,0,0,0|2,0,1]=4 64 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 C/C=C(/C(=O)O)\N DBU [0,1,0,0,0,0|1,0,0]=2 66 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 C=CC(=O)C(=C)N 6R3 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 C=C[C@@H](C(=O)O)N LVG [0,1,0,0,0,0|1,0,2]=4 69 B6R0.3 C=C[C@H](C(=O)[O-])[NH3+] A3B [0,1,0,0,0,0|1,0,2]=4 70 B6R0.3 CCC(=O)C(=O)O 2KT [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 CCC(C(=O)O)N AA3 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,1,0,0,0,0|1,0,2]=4 73 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,1,0,0,0,0|1,0,2]=4 75 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CC[C@H](C(=O)O)N DBB [0,1,0,0,0,0|1,0,2]=4 77 B6R0.3 CC[C@H](C)C(=O)O SMB [0,1,0,0,0,0|0,0,2]=3 78 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,1,0,0,0,0|1,0,2]=4 79 B6R0.3 CN(C=C)C(=O)O EMM [0,1,0,0,0,0|1,0,1]=3 80 B6R0.3 CNC(=C)C(=O)O DAM [0,1,0,0,0,0|1,0,1]=3 81 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,1,0,0,0,0|1,0,2]=4 85 B6R0.3 C[C@H](C(=O)O)NC 33X [0,1,0,0,0,0|1,0,1]=3 86 B6R0.3 C[C@H](CO)C(=O)O HIU [0,1,0,0,0,0|1,0,2]=4 87 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,1,0,0,0,0|0,0,0]=1 89 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 N=C(/CO)\C(=O)O SRI [0,1,0,0,0,0|2,0,1]=4 91 B6R1.2 C[n+]1ccsc1 3MT [0,0,0,1,0,0|1,1,1]=4 92 B6R1.2 Cc1c[nH]cn1 4MZ [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 Cc1c[nH]nc1 4PZ [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 Cc1cc[nH]c1 5MP [0,0,0,1,0,0|1,0,1]=3 95 B6R1.2 Cn1cc[nH+]c1 1MZ [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 Cn1cccc1 MR3 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 c1c(cn[nH]1)Br BYZ [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 c1c(cn[nH]1)Cl JZ6 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 c1c(cn[nH]1)I PYZ [0,0,0,1,0,0|3,0,0]=4 100 B3R0.1 C(=C/Br)/Br CB0 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.1 C(=CS)N TEE [2,0,0,0,0,0|1,1,0]=4 102 B3R0.1 C(=O)C=O GXT [2,0,0,0,0,0|1,0,0]=3 103 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|1,0,1]=4 104 B3R0.1 C=CC#N 6AC [2,0,0,0,0,0|1,0,1]=4 105 B3R0.1 C=CCN AYE [2,0,0,0,0,0|1,0,1]=4 106 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|0,0,2]=4 107 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,0,1]=3 108 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,0,1]=3 109 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,2]=4 110 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,2]=4 111 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,2]=4 112 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,1]=4 114 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,1]=4 115 B3R0.1 CNC=S MTF [2,0,0,0,0,0|1,1,0]=4 116 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|1,0,0]=3 117 B3R0.1 C\C=N\O AXO [2,0,0,0,0,0|1,0,1]=4 118 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 119 B3R0.2 C(=O)(N)N URE [2,0,0,0,0,0|2,0,0]=4 120 B3R0.2 C(=O)(N)O OUT [2,0,0,0,0,0|2,0,0]=4 121 B3R0.2 C(=O)(O)[O-] BCT [2,0,0,0,0,0|2,0,0]=4 122 B3R0.2 C(=O)([O-])[O-] CO3 [2,0,0,0,0,0|2,0,0]=4 123 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|0,0,0]=2 124 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,0,0]=2 125 B3R0.2 CC(=O)N ACM [2,0,0,0,0,0|1,0,0]=3 126 B3R0.2 CC(=O)N CNM [2,0,0,0,0,0|1,0,0]=3 127 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|1,0,0]=3 128 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|1,0,0]=3 129 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|1,0,0]=3 130 B3R0.2 CC(=O)[O-] ACT [2,0,0,0,0,0|1,0,0]=3 131 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,0,2]=4 132 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,0,2]=4 133 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|1,0,1]=4 134 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,0,0]=3 135 B3R0.2 C[P@H](=O)O MPS [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 C[P@H](=O)O SOM [2,0,0,0,0,0|2,0,0]=4 137 B3R0.2 C[P@H](=O)[O-] VXA [2,0,0,0,0,0|2,0,0]=4 138 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 C(CN)C(=O)O BAL [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 C(CO)C(=O)O 3OH [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 C(CS)C(=O)O MPT [1,1,0,0,0,0|1,0,1]=4 142 B5R0.1 C(C[SeH])C(=O)O SLP [1,1,0,0,0,0|1,0,1]=4 143 B5R0.1 C=C(CCO)Br 3BB [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|0,0,1]=3 145 B5R0.1 CC=CC(=O)O BEO [1,1,0,0,0,0|1,0,0]=3 146 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 CCCC(=O)N BMD [1,1,0,0,0,0|1,0,1]=4 148 B5R0.1 CCCC(=O)O BUA [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|0,0,1]=3 150 B5R0.1 CCOC(=O)O 01F [1,1,0,0,0,0|1,0,1]=4 151 B5R0.1 CNCC(=O)O MGY [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 CNCC(=O)O SAR [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 CSCC(=O)[O-] MTG [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 C[Se]CC(=O)[O-] MSF [1,1,0,0,0,0|1,0,1]=4 157 B5R0.1 C[Te]CC(=O)[O-] MTD [1,1,0,0,0,0|1,0,1]=4 158 B5R0.4 CSS(=O)(=O)C Z22 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.5 C(=O)(C(=O)O)N OXM [1,1,0,0,0,0|2,0,0]=4 160 B5R0.5 C(=O)(C(=O)O)O OXD [1,1,0,0,0,0|2,0,0]=4 161 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [1,1,0,0,0,0|2,0,0]=4 162 B5R0.5 C=C(C(=O)N)N PYT [1,1,0,0,0,0|1,0,0]=3 163 B5R0.5 C=C(C(=O)O)N DHA [1,1,0,0,0,0|1,0,0]=3 164 B5R0.5 CC(=O)C(=O)N PYM [1,1,0,0,0,0|1,0,0]=3 165 B5R0.5 CC(=O)C(=O)O PYR [1,1,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(=O)N(C)C 5Y9 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [1,1,0,0,0,0|1,0,0]=3 168 B5R0.5 CC(C)C(=O)N IBO [1,1,0,0,0,0|0,0,1]=3 169 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|0,0,1]=3 170 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|0,0,1]=3 171 B5R0.5 CC(C)[N+](=O)[O-] NIS [1,1,0,0,0,0|1,0,1]=4 172 B5R0.5 C[C@@H](C(=O)C)N ALM [1,1,0,0,0,0|0,0,1]=3 173 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|0,0,1]=3 174 B5R0.5 C[C@@H](C(=O)N)N 66N [1,1,0,0,0,0|1,0,1]=4 175 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,1,0,0,0,0|1,0,1]=4 176 B5R0.5 C[C@@H](C(=O)O)N ALA [1,1,0,0,0,0|1,0,1]=4 177 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,1,0,0,0,0|1,0,1]=4 178 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,1,0,0,0,0|1,0,1]=4 179 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,1,0,0,0,0|1,0,1]=4 180 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [1,1,0,0,0,0|1,0,1]=4 182 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|0,0,1]=3 183 B5R0.5 C[C@H](C(=O)O)F 4LT [1,1,0,0,0,0|1,0,1]=4 184 B5R0.5 C[C@H](C(=O)O)N DAL [1,1,0,0,0,0|1,0,1]=4 185 B5R0.5 C[C@H](C(=O)O)O DLA [1,1,0,0,0,0|1,0,1]=4 186 B5R0.5 C[C@H](C(=O)O)O LAC [1,1,0,0,0,0|1,0,1]=4 187 B5R0.2 C(=CC=O)C=O 2FU [1,1,0,0,0,0|0,0,1]=3 188 B5R0.2 C(CCl)NC=O CEC [1,1,0,0,0,0|1,0,1]=4 189 B5R0.2 CCCCC=O PTL [1,1,0,0,0,0|0,0,2]=4 190 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,2,0,0,0,0|1,0,1]=4 191 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,2,0,0,0,0|1,0,0]=3 192 B7R0.5 CCCC(=O)C(=O)O 69O [0,2,0,0,0,0|1,0,1]=4 193 B7R0.5 CS/C=C(/C(=O)O)\O DEI [0,2,0,0,0,0|1,0,0]=3 194 B7R0.13 CC(C)(C(=O)O)NC 3WS [0,2,0,0,0,0|1,0,1]=4 195 B7R0.13 CC[C@](C)(C(=O)O)N DIV [0,2,0,0,0,0|0,0,2]=4 196 B7R0.15 C/C=C(/C(=O)O)\NC MDH [0,2,0,0,0,0|0,0,0]=2 197 B7R0.15 CN[C@@H](C(=O)O)SC MSA [0,2,0,0,0,0|1,0,1]=4 198 B7R0.15 CN[C@@H](CO)C(=O)O 5JP [0,2,0,0,0,0|1,0,1]=4 199 B7R0.15 CN[C@@H](CS)C(=O)O NCY [0,2,0,0,0,0|1,0,1]=4 200 B7R0.15 CN[C@H](CO)C(=O)O DSE [0,2,0,0,0,0|1,0,1]=4 201 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,2,0,0,0,0|2,0,0]=4 202 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,2,0,0,0,0|1,0,1]=4 203 B7R0.16 CC(C(=O)O)C(=O)O DXX [0,2,0,0,0,0|1,0,1]=4 204 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,2,0,0,0,0|1,0,1]=4 205 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,2,0,0,0,0|1,0,1]=4 206 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,2,0,0,0,0|1,0,0]=3 207 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,2,0,0,0,0|1,0,0]=3 208 B5R1.1 c1c[nH]nc1 PZO [1,0,0,1,0,0|2,0,0]=4 209 B7R1.1 C1CCN(C1)C=O FP6 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.1 C1C[C@H](NC1)C=O PRI [0,1,0,1,0,0|0,0,2]=4 211 B7R1.1 c1cc(oc1)C=O FU2 [0,1,0,1,0,0|0,0,2]=4 212 B7R1.1 c1csc(n1)C=O KTH [0,1,0,1,0,0|1,0,1]=4 213 B7R1.1 c1cscc1CN BVC [0,1,0,1,0,0|0,1,1]=4 214 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,1,0,1,0,0|2,0,0]=4 215 B7R1.2 C1CC(=O)CC1=O CEJ [0,1,0,1,0,0|1,0,1]=4 216 B7R1.2 Cc1c[nH+]c(s1)N 25T [0,1,0,1,0,0|2,0,0]=4 217 B7R1.2 Cc1csc(n1)N 24T [0,1,0,1,0,0|1,1,0]=4 218 B7R1.3 Cc1ccccc1 MBN [0,1,0,1,0,0|1,0,1]=4 219 B7R1.3 Cc1cccnc1 3MP [0,1,0,1,0,0|1,0,1]=4 220 B7R1.3 Cc1ccnnc1 DKG [0,1,0,1,0,0|1,0,1]=4 221 B7R1.4 CN1CCCC1=O MB3 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.4 CN1CCOC1=O 3MO [0,1,0,1,0,0|1,0,1]=4 223 B7R1.4 Cc1[nH+]ccn1C DMI [0,1,0,1,0,0|2,0,0]=4 224 B7R1.4 Cc1csc[n+]1C DTI [0,1,0,1,0,0|1,1,0]=4 225 B7R1.18 C1CN[C@@H]1C(=O)O 02A [0,1,0,1,0,0|1,0,1]=4