0 B4R0.1 C#CC(C)N 3873AJ [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#C[C@@H](C)O 4141AL [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#C[C@H](C)N 9107AH [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#C[C@H](C)O 4183AL [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C=C(F)CCl 6785AE [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=C=C(C)C 6086AL [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C=NN(C)C 7943AL [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(=N)NN 5131AB [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(=O)NBr 6847AF [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(O)CF 7060AF [0,0,0,0,0,0|1,0,2]=3 10 B4R0.1 CCC(=O)Br C859 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC[SiH](Cl)Cl 7902AL [0,0,0,0,0,0|3,1,0]=4 12 B4R0.1 CSC(C)=O 9061AJ [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CSC(C)C 8107AL [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CS[S+](C)C 7703AL [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 C[C@@H](O)CN V4887 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C[C@H](O)CCl E885 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C\C(N)=N/O 5291AE [0,0,0,0,0,0|2,1,0]=3 18 B4R0.1 C\C=C(/C)Cl 5560AL [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 C\C=C(\C)Cl 4247AL [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 FC(Cl)CCl 3256AE [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 N=C(N)CO 6468AB [0,0,0,0,0,0|2,1,0]=3 22 B4R0.1 N=C(N)CO X6638 [0,0,0,0,0,0|2,1,0]=3 23 B4R0.1 NCC(=O)O 7986AL [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 NCC(=O)[O-] P522 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 NCC(=O)[O-] Z1943 [0,0,0,0,0,0|2,0,0]=2 26 B3R0.1 Br\C=C\Br 6810AF [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,1]=3 28 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|1,0,1]=3 29 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,1]=3 30 B3R0.1 NCCN 4103AL [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 NCCN E395 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.2 C=[N+](C)C X4459 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.2 CC(=N)N 6978AL [1,0,0,0,0,0|2,0,0]=3 38 B3R0.2 CC(=O)[O-] Y2043 [1,0,0,0,0,0|0,1,0]=2 39 B3R0.2 CC(=O)[O-] Y2049 [1,0,0,0,0,0|0,1,0]=2 40 B3R0.2 CC(Br)Br 4360AL [1,0,0,0,0,0|2,0,1]=4 41 B3R0.2 C[PH](C)=O 3279AL [1,0,0,0,0,0|1,0,0]=2 42 B3R0.2 C[S+](C)C 9165AJ [1,0,0,0,0,0|2,0,0]=3 43 B3R0.2 NC(N)=O G570 [1,0,0,0,0,0|2,0,0]=3 44 B3R0.2 O=C([O-])O 6221AA [1,0,0,0,0,0|1,1,0]=3 45 B3R0.2 O=I(=O)[O-] Y1930 [1,0,0,0,0,0|2,1,0]=4 46 B3R0.2 O=S(O)O 8693AF [1,0,0,0,0,0|2,1,0]=4 47 B3R0.2 O=S([O-])[O-] 9209AB [1,0,0,0,0,0|2,1,0]=4 48 B3R0.2 O=[N+]([O-])O J70010 [1,0,0,0,0,0|2,1,0]=4 49 B3R0.2 O=[N+]([O-])[O-] 5369AF [1,0,0,0,0,0|2,1,0]=4 50 B3R0.2 O=[N+]([O-])[O-] 8572AF [1,0,0,0,0,0|2,1,0]=4 51 B3R0.2 O=[N+]([O-])[O-] 8722AF [1,0,0,0,0,0|2,1,0]=4 52 B3R0.2 O=[N+]([O-])[O-] J70116 [1,0,0,0,0,0|2,1,0]=4 53 B3R0.2 O=[Te]([O-])[O-] 5213AF [1,0,0,0,0,0|2,1,0]=4 54 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|1,0,2]=4 55 B5R0.1 C=C(C)CCBr Z4377 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 C=C(C)CON 4430AJ [0,1,0,0,0,0|1,1,0]=3 57 B5R0.1 C=CCC(=C)C 5694AL [0,1,0,0,0,0|2,0,0]=3 58 B5R0.1 C=CCC(N)=O Y1568 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(Br)CC#N 6005AL [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(C)=CCCl 7671AJ [0,1,0,0,0,0|2,0,0]=3 61 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 CC(C)CON 7310AJ [0,1,0,0,0,0|1,1,1]=4 63 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,1,0,0,0,0|2,0,1]=4 64 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|0,1,2]=4 65 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|2,0,0]=3 66 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CNCC(C)=O 4565AF [0,1,0,0,0,0|1,0,0]=2 69 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CNCC(C)O 5343AD [0,1,0,0,0,0|1,0,2]=4 71 B5R0.1 CNOC(C)=O 8699AL [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 COCC(=N)N 1769AJ [0,1,0,0,0,0|2,1,0]=4 73 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|1,1,1]=4 74 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|0,1,2]=4 75 B5R0.1 CS(=O)CCN 4290AE [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 CSCC(=N)N 1816AJ [0,1,0,0,0,0|2,0,0]=3 77 B5R0.1 C[C@@H](O)CC#N 1173AL [0,1,0,0,0,0|1,0,2]=4 78 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|1,1,1]=4 79 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 C\C(Cl)=C\CN 9653AD [0,1,0,0,0,0|2,0,0]=3 81 B5R0.1 C\C(Cl)=C\CO X6578 [0,1,0,0,0,0|1,1,0]=3 82 B5R0.1 NOCC(=O)O 2959AB [0,1,0,0,0,0|1,1,0]=3 83 B5R0.1 O=C(O)CCF 6350AB [0,1,0,0,0,0|2,0,0]=3 84 B5R0.1 O=C(O)\C=C/Br V3608 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 O=C(O)\C=C/I 9333AB [0,1,0,0,0,0|2,0,1]=4 86 B5R0.1 O=C(O)\C=C\I V7047 [0,1,0,0,0,0|2,0,1]=4 87 B5R0.3 C=C(SC)SC 4356AL [0,1,0,0,0,0|3,0,0]=4 88 B5R0.3 CC(CN)CN 1710AB [0,1,0,0,0,0|2,0,1]=4 89 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|1,0,0]=2 90 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|0,1,0]=2 91 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|1,1,0]=3 92 B5R0.3 CCC(C)C#N 9871AA [0,1,0,0,0,0|2,0,1]=4 93 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.3 CCC(C)CS U578 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|2,0,1]=4 96 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|1,0,2]=4 97 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|0,1,1]=3 98 B5R0.3 CNC(=O)NN 9285AA [0,1,0,0,0,0|2,0,0]=3 99 B5R0.3 CN[C@@H](C)CO X7940 [0,1,0,0,0,0|1,1,1]=4 100 B5R0.3 C\C(C=O)=C/N 3293AB [0,1,0,0,0,0|1,0,1]=3 101 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|2,0,0]=3 102 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|2,0,0]=3 103 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|2,0,0]=3 104 B5R0.3 FCC(Br)CBr 3889AE [0,1,0,0,0,0|2,0,1]=4 105 B5R0.3 NCC(Br)CBr 5327AJ [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 NNC(=O)NO 7306AD [0,1,0,0,0,0|2,1,0]=4 107 B5R0.3 N\C(CCl)=N/O 0296AE [0,1,0,0,0,0|2,0,1]=4 108 B5R0.3 N\C(CO)=N\O 9010AE [0,1,0,0,0,0|1,1,1]=4 109 B5R0.3 O=C[C@@H](O)CO I485 [0,1,0,0,0,0|1,1,1]=4 110 B5R0.3 O=C[C@H](O)CO I433 [0,1,0,0,0,0|1,1,1]=4 111 B5R0.3 OC(CCl)CBr 7042AF [0,1,0,0,0,0|1,0,2]=4 112 B5R0.3 OC[C@@H](O)CF 1216AL [0,1,0,0,0,0|0,1,2]=4 113 B5R0.4 CCC(C)(Cl)Cl 5119AL [0,1,0,0,0,0|2,0,1]=4 114 B5R0.4 C[Si](Cl)(Cl)CCl 7376AL [0,1,0,0,0,0|2,1,0]=4 115 B5R0.4 NS(=O)(=O)CCl 9800AH [0,1,0,0,0,0|3,0,0]=4 116 B5R0.5 C=C(C)B(O)O X6995 [0,1,0,0,0,0|2,1,0]=4 117 B5R0.5 C=C(C)C(C)C 5230AL [0,1,0,0,0,0|2,0,0]=3 118 B5R0.5 C=C(F)C(=O)[O-] 0621AP [0,1,0,0,0,0|2,0,1]=4 119 B5R0.5 CC(=O)C(=O)[O-] 7017AF [0,1,0,0,0,0|0,1,1]=3 120 B5R0.5 CC(=O)C(C)F 0085AF [0,1,0,0,0,0|1,0,0]=2 121 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [0,1,0,0,0,0|2,0,1]=4 122 B5R0.5 CC(N)C(C)O 7117AF [0,1,0,0,0,0|1,0,2]=4 123 B5R0.5 CC(O)C(=N)N 2094AL [0,1,0,0,0,0|2,1,0]=4 124 B5R0.5 CC(S)C(C)S 9352AJ [0,1,0,0,0,0|0,1,1]=3 125 B5R0.5 C[C@@H](O)C(=N)N X6061 [0,1,0,0,0,0|2,1,0]=4 126 B5R0.5 C[C@H](N)C(N)=O 7048AH [0,1,0,0,0,0|2,0,0]=3 127 B5R0.5 NC(=O)C(F)Br 3265AE [0,1,0,0,0,0|2,0,0]=3 128 B5R0.5 NC(=O)C(F)I 3275AE [0,1,0,0,0,0|2,0,0]=3 129 B5R0.5 O=C(O)C(=O)O 7001AF [0,1,0,0,0,0|1,1,1]=4 130 B5R0.5 O=C(O)C(Cl)Br 8168AB [0,1,0,0,0,0|2,0,0]=3 131 B5R0.5 O=C(O)C(F)Br 8446AJ [0,1,0,0,0,0|2,0,0]=3 132 B5R0.5 O=C(O)C(F)Cl 4068AE [0,1,0,0,0,0|2,0,0]=3 133 B5R0.5 O=C([O-])C(=O)[O-] 6503AJ [0,1,0,0,0,0|1,1,1]=4 134 B5R0.5 O=C([O-])C(F)Br 8443AE [0,1,0,0,0,0|2,0,0]=3 135 B5R0.5 O=C([O-])C(F)I 0009AD [0,1,0,0,0,0|2,0,0]=3 136 B5R1.2 IC1CNC1 2304AJ [0,0,0,1,0,0|2,0,1]=4 137 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,0,0,1,0,0|2,0,1]=4 138 B5R1.5 CC1(C)CS1 8089AL [0,0,0,1,0,0|1,0,1]=3 139 B2R0.1 CNC 7704AL [2,0,0,0,0,0|1,0,0]=3 140 B2R0.1 N=CN 7945AL [2,0,0,0,0,0|2,0,0]=4 141 B2R0.1 O=C[O-] 7946AL [2,0,0,0,0,0|0,1,0]=3 142 B2R0.1 O=C[O-] 8928AL [2,0,0,0,0,0|0,1,0]=3 143 B2R0.1 O=[AlH3][O-] 5047AF [2,0,0,0,0,0|1,1,0]=4 144 B2R0.1 O=[Ir]=O 8780AF [2,0,0,0,0,0|1,1,0]=4 145 B4R0.2 C=C=CCO 0432AQ [1,1,0,0,0,0|0,1,1]=4 146 B4R0.2 C=CC[Pd]Cl G754 [1,1,0,0,0,0|1,0,1]=4 147 B4R0.2 CCCCF 8004AD [1,1,0,0,0,0|1,0,1]=4 148 B4R0.2 CCCCN 7306AL [1,1,0,0,0,0|1,0,1]=4 149 B4R0.2 CCCNN 4415AE [1,1,0,0,0,0|1,0,1]=4 150 B4R0.2 CCCOC 4896AL [1,1,0,0,0,0|0,1,1]=4 151 B4R0.2 CCCSC U677 [1,1,0,0,0,0|0,0,1]=3 152 B4R0.2 CCNCC 7650AL [1,1,0,0,0,0|1,0,1]=4 153 B4R0.2 CNCC#N 8258AL [1,1,0,0,0,0|2,0,0]=4 154 B4R0.2 CSCCCl 7809AB [1,1,0,0,0,0|1,0,1]=4 155 B4R0.2 C\C=C/CC 7428AL [1,1,0,0,0,0|1,0,0]=3 156 B4R0.2 C\C=C\SC AMTGC066 [1,1,0,0,0,0|0,0,1]=3 157 B4R0.2 Cl\C=C/CCl 7411AL [1,1,0,0,0,0|1,0,1]=4 158 B4R0.2 N#CCCS 0102AP [1,1,0,0,0,0|0,0,2]=4 159 B4R0.2 N\C=C/C=O 4699AJ [1,1,0,0,0,0|1,0,1]=4 160 B4R0.3 CC(C)(C)N 9036AL [1,1,0,0,0,0|1,0,1]=4 161 B4R0.3 CP(C)(=S)Cl 7720AL [1,1,0,0,0,0|1,1,0]=4 162 B4R0.3 C[Ge](C)(C)Cl Y1383 [1,1,0,0,0,0|1,1,0]=4 163 B4R0.3 C[N+](C)(C)C 8641AB [1,1,0,0,0,0|2,0,0]=4 164 B4R0.3 C[N+](C)(C)C 9124AL [1,1,0,0,0,0|2,0,0]=4 165 B4R0.3 C[P+](C)(C)C X4911 [1,1,0,0,0,0|2,0,0]=4 166 B4R0.3 C[Pt](C)(C)I 7052AA [1,1,0,0,0,0|2,0,0]=4 167 B4R0.3 C[Sn](C)(Cl)Cl 6867AF [1,1,0,0,0,0|2,0,0]=4 168 B6R0.1 C#CCC(=O)OC 3698AB [0,2,0,0,0,0|1,0,0]=3 169 B6R0.1 CC#CC(=O)OC X7106 [0,2,0,0,0,0|1,0,1]=4 170 B6R0.1 CCC(=O)CSC K829 [0,2,0,0,0,0|0,0,0]=2 171 B6R0.1 CCCC(=O)SC 8847AJ [0,2,0,0,0,0|1,0,0]=3 172 B6R0.1 CCOC(=N)CC 8352AC [0,2,0,0,0,0|2,0,0]=4 173 B6R0.1 CNC(=O)CCN 4757AE [0,2,0,0,0,0|1,0,0]=3 174 B6R0.1 CNC(=O)CCO 8079AE [0,2,0,0,0,0|0,1,0]=3 175 B6R0.1 COC(=O)CCCl X6204 [0,2,0,0,0,0|1,0,0]=3 176 B6R0.1 COC(=O)\C=C\N 1217AQ [0,2,0,0,0,0|1,0,1]=4 177 B6R0.1 COCC(=O)OC J70196 [0,2,0,0,0,0|0,1,0]=3 178 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,2,0,0,0,0|2,0,0]=4 179 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,2,0,0,0,0|0,1,0]=3 180 B6R0.2 CC(=O)SC(C)=O 7216AF [0,2,0,0,0,0|0,1,1]=4 181 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,2,0,0,0,0|2,0,0]=4 182 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,2,0,0,0,0|2,0,0]=4 183 B6R0.2 NC(=O)CC(=O)O 1571AB [0,2,0,0,0,0|1,1,0]=4 184 B6R0.3 C#CC(O)C(=O)O 5648AL [0,2,0,0,0,0|1,1,0]=4 185 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,2,0,0,0,0|1,0,1]=4 186 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,2,0,0,0,0|1,0,0]=3 187 B6R0.3 CC(=O)C(N)CO 6844AC [0,2,0,0,0,0|0,1,0]=3 188 B6R0.3 CC(=O)N(N)C#N R363 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 CC(CO)C(=O)O Z7389 [0,2,0,0,0,0|0,1,1]=4 190 B6R0.3 CCC(=O)C(C)Br 5539AL [0,2,0,0,0,0|1,0,0]=3 191 B6R0.3 CCC(=O)C(C)S 5675AL [0,2,0,0,0,0|0,0,0]=2 192 B6R0.3 CCC(C)C(C)=O U423 [0,2,0,0,0,0|1,0,0]=3 193 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,2,0,0,0,0|1,1,0]=4 194 B6R0.3 CCC(S)C(C)=O 9471AJ [0,2,0,0,0,0|0,0,0]=2 195 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,2,0,0,0,0|2,0,0]=4 197 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,2,0,0,0,0|2,0,0]=4 198 B6R0.3 CN(C)C(=O)CI 1440AC [0,2,0,0,0,0|1,0,0]=3 199 B6R0.3 CN(C)C(=O)CN W4015 [0,2,0,0,0,0|1,0,0]=3 200 B6R0.3 CN(C)C(=O)CN Z5718 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.3 CN(C)C(=O)NN 2785AE [0,2,0,0,0,0|2,0,0]=4 202 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,2,0,0,0,0|1,0,0]=3 203 B6R0.3 CNC(=O)C(F)Cl 5097AE [0,2,0,0,0,0|1,0,0]=3 204 B6R0.3 COC(=O)N(C)N 6989AD [0,2,0,0,0,0|2,0,0]=4 205 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.3 CSC(C)C(=O)O 6148AE [0,2,0,0,0,0|1,0,0]=3 207 B6R0.3 CSC(C)C(C)=O 6125AL [0,2,0,0,0,0|0,0,0]=2 208 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,2,0,0,0,0|1,0,1]=4 209 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,2,0,0,0,0|1,0,1]=4 210 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,2,0,0,0,0|1,0,1]=4 211 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,2,0,0,0,0|1,0,1]=4 212 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,2,0,0,0,0|2,0,0]=4 213 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,2,0,0,0,0|2,0,0]=4 214 B6R0.3 NC(=O)C(N)CO 2131AB [0,2,0,0,0,0|1,1,0]=4 215 B6R0.3 NCC(N)C(=O)O 3293AL [0,2,0,0,0,0|2,0,0]=4 216 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,2,0,0,0,0|2,0,0]=4 217 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,2,0,0,0,0|2,0,0]=4 218 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,2,0,0,0,0|1,1,0]=4 219 B6R0.3 O=C(O)C(O)CCl 2399AL [0,2,0,0,0,0|1,1,0]=4 220 B6R0.3 O=C([O-])C(O)CO 7310AL [0,2,0,0,0,0|1,1,0]=4 221 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,2,0,0,0,0|2,0,0]=4 222 B6R0.4 C#CCNC(C)=O 3665AL [0,2,0,0,0,0|1,0,0]=3 223 B6R0.4 C#CCNC(N)=O W6702 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.4 C=C(C)CCCC 5699AL [0,2,0,0,0,0|2,0,0]=4 225 B6R0.4 C=C(C)CCCO 2774AL [0,2,0,0,0,0|1,1,0]=4 226 B6R0.4 C=CCCC(=C)C 5696AL [0,2,0,0,0,0|2,0,0]=4 227 B6R0.4 CC(=O)NCCCl W8163 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.4 CC(=O)OCCCl 7237AF [0,2,0,0,0,0|1,0,0]=3 229 B6R0.4 CC(=O)SCC#N 6370AE [0,2,0,0,0,0|1,0,0]=3 230 B6R0.4 CC(=O)SCCN 5884AD [0,2,0,0,0,0|1,0,0]=3 231 B6R0.4 CCCC=C(C)C 5704AL [0,2,0,0,0,0|2,0,0]=4 232 B6R0.4 CCCCC(=O)Br 7391AF [0,2,0,0,0,0|2,0,0]=4 233 B6R0.4 CCNCC(=O)O X5133 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.4 CNCCC(=O)O 5026AF [0,2,0,0,0,0|2,0,0]=4 235 B6R0.4 COCCC(C)=O B939 [0,2,0,0,0,0|0,1,0]=3 236 B6R0.4 CSSCC(=O)O KMA0116 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.4 N=C(N)NCCS 1070AH [0,2,0,0,0,0|2,0,0]=4 238 B6R0.4 NC(=O)CCCCl Y1653 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.4 NC(=O)NCCCl 5576AL [0,2,0,0,0,0|2,0,0]=4 240 B6R0.4 NC(=O)OCCCl 7044AF [0,2,0,0,0,0|2,0,0]=4 241 B6R0.4 O=C(O)CCCS 7264AF [0,2,0,0,0,0|1,0,0]=3 242 B6R0.4 O=C([O-])C[N+]#C[K] X3794 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,2,0,0,0,0|2,0,0]=4 244 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,2,0,0,0,0|2,0,0]=4 245 B6R0.7 C=C(C)C(F)(F)F 1867AE [0,2,0,0,0,0|2,0,0]=4 246 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.7 CC(=O)C(C)(C)O X0229 [0,2,0,0,0,0|0,1,0]=3 248 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,2,0,0,0,0|2,0,0]=4 249 B6R0.7 CC(C)(N)C(N)=O 5432AJ [0,2,0,0,0,0|2,0,0]=4 250 B6R0.7 CC(C)(N)C(N)=O 5907AD [0,2,0,0,0,0|2,0,0]=4 251 B4R1.1 C1CNC1 F654 [1,0,0,1,0,0|1,0,1]=4 252 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|0,0,1]=3 253 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|1,0,1]=4 254 B6R1.2 BrC1=CCCC1 Z8081 [0,1,0,1,0,0|2,0,0]=4 255 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,1,0,0|2,0,0]=4 256 B6R1.2 CC1=CSN=N1 Y8051 [0,1,0,1,0,0|1,0,1]=4 257 B6R1.2 ClC1=CCCC1 9304AJ [0,1,0,1,0,0|2,0,0]=4 258 B6R1.2 NC1=NCCC1 3788AC [0,1,0,1,0,0|2,0,0]=4 259 B6R1.2 O=C1C=CCN1 V5771 [0,1,0,1,0,0|1,0,1]=4 260 B6R1.2 O=C1C=CCS1 1311AQ [0,1,0,1,0,0|1,0,1]=4 261 B6R1.2 O[C@@H]1CCSC1 1245AL [0,1,0,1,0,0|0,0,2]=4 262 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,1,0,0|0,0,2]=4 263 B6R1.2 S=C1CCCN1 7821AD [0,1,0,1,0,0|1,1,0]=4 264 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,1,0,0|1,0,0]=3 265 B6R1.10 O=S1(=O)CCC1 V6677 [0,1,0,1,0,0|2,0,0]=4 266 B6R1.11 CC(=O)C1CO1 3696AE [0,1,0,1,0,0|0,1,0]=3 267 B6R1.11 O=C(O)C1CN1 7766AB [0,1,0,1,0,0|2,0,0]=4 268 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [0,1,0,1,0,0|1,1,0]=4 269 B6R1.6 O=CC1COC1 5573AA [0,1,0,1,0,0|0,1,1]=4 270 B6R1.6 ON=C1CCC1 3048AB [0,1,0,1,0,0|1,0,1]=4