0 B5R0.1 C=C(C)CCBr Z4377 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C=C(C)CON 4430AJ [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=CCC(N)=O Y1568 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|1,1,1]=3 9 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|1,0,1]=2 10 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CNCC(C)O 5343AD [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CNOC(C)=O 8699AL [0,0,0,0,0,0|1,1,0]=2 14 B5R0.1 COCC(=N)N 1769AJ [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CS(=O)CCN 4290AE [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CSCC(=N)N 1816AJ [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 NOCC(=O)O 2959AB [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 O=C(O)\C=C/Br V3608 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 O=C(O)\C=C/I 9333AB [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 O=C(O)\C=C\I V7047 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(=N)NN 5131AB [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 36 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|0,0,0]=1 37 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 N=C(N)CO X6638 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 NCC(=O)[O-] Z1943 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|3,0,0]=4 52 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 CCCSC U677 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|1,0,1]=3 55 B4R0.2 CSCCCl 7809AB [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,0]=2 57 B4R0.2 C\C=C\SC AMTGC066 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|3,0,0]=4 59 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|2,0,1]=4 60 B6R0.1 C#CCC(=O)OC 3698AB [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CC#CC(=O)OC X7106 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|1,0,2]=4 68 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|1,0,2]=4 69 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 CCNC(=S)NN 3859AD [0,1,0,0,0,0|2,1,0]=4 71 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,1]=4 72 B6R0.1 CCOC(=N)CC 8352AC [0,1,0,0,0,0|1,1,0]=3 73 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|1,1,1]=4 74 B6R0.1 CCOC(C)CN Y4465 [0,1,0,0,0,0|1,1,1]=4 75 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 COC(=O)CCCl X6204 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 COCC(=O)OC J70196 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,1,0,0,0,0|2,1,0]=4 81 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,1,0,0,0,0|2,0,1]=4 82 B6R0.2 CC(=O)SC(C)=O 7216AF [0,1,0,0,0,0|0,0,1]=2 83 B6R0.2 CC(C)=NN(C)C 6998AL [0,1,0,0,0,0|3,0,0]=4 84 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|2,0,1]=4 85 B6R0.2 CC(C)CC(C)N I823 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,1,0,0,0,0|2,1,0]=4 87 B6R0.2 CC(N)CN(C)C 8452AC [0,1,0,0,0,0|3,0,0]=4 88 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|3,0,0]=4 89 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|3,0,0]=4 90 B6R0.2 CN(C)NC(N)=O 4373AL [0,1,0,0,0,0|3,0,0]=4 91 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,1,0,0,0,0|3,0,0]=4 93 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|3,0,0]=4 94 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CC(=O)N(N)C#N R363 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.3 CC(CO)C(=O)O Z7389 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|1,1,1]=4 100 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|1,0,0]=2 104 B6R0.3 CCN(C)C(=N)N 8784AC [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|2,0,0]=3 107 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 CON(C)C(=O)Cl 8593AL [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|1,0,1]=3 114 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|3,0,0]=4 116 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|3,0,0]=4 118 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|3,0,0]=4 124 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,1,0,0,0,0|2,0,1]=4 125 B6R0.4 C#CCNC(C)=O 3665AL [0,1,0,0,0,0|1,0,1]=3 126 B6R0.4 C#CCNC(N)=O W6702 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 C=C(C)CCCO 2774AL [0,1,0,0,0,0|2,0,0]=3 129 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|0,1,0]=2 132 B6R0.4 CC(=O)SCC#N 6370AE [0,1,0,0,0,0|0,0,1]=2 133 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|0,0,0]=1 134 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|2,0,1]=4 135 B6R0.4 CC(C)CCCN 7575AF [0,1,0,0,0,0|2,0,1]=4 136 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|2,0,1]=4 137 B6R0.4 CC(C)OCCN 2664AC [0,1,0,0,0,0|1,1,1]=4 138 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|2,0,1]=4 141 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,1]=4 142 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|1,0,2]=4 143 B6R0.4 CCCNC(C)C 7560AH [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCNC(N)=S 3447AF [0,1,0,0,0,0|2,1,0]=4 145 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,1,0,0,0,0|2,1,0]=4 146 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|1,0,1]=3 147 B6R0.4 CCNCC(=O)O X5133 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.4 CCNCC(C)O 2626AE [0,1,0,0,0,0|1,0,2]=4 149 B6R0.4 CNCCC(=O)O 5026AF [0,1,0,0,0,0|2,0,0]=3 150 B6R0.4 CNCCN(C)C J70105 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.4 COCCC(C)=O B939 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.4 CSSCC(=O)O KMA0116 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.4 FC(F)=CCCBr 4541AD [0,1,0,0,0,0|3,0,0]=4 154 B6R0.4 N=C(N)NCCO 7232AE [0,1,0,0,0,0|3,0,0]=4 155 B6R0.4 N=C(N)NCCS 1070AH [0,1,0,0,0,0|3,0,0]=4 156 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.4 NC(=O)NCCCl 5576AL [0,1,0,0,0,0|2,0,0]=3 158 B6R0.4 NC(=O)OCCCl 7044AF [0,1,0,0,0,0|1,1,0]=3 159 B6R0.4 O=C(O)CCCS 7264AF [0,1,0,0,0,0|2,0,0]=3 160 B6R0.5 CCNC(C)(C)C 3737AE [0,1,0,0,0,0|2,0,1]=4 161 B6R0.5 CCNS(=O)(=O)O 4020AE [0,1,0,0,0,0|3,0,0]=4 162 B6R0.5 CCOS(=O)(=O)[O-] 6862AF [0,1,0,0,0,0|2,1,0]=4 163 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,0,0,0,0|3,0,0]=4 164 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,1,0,0,0,0|3,0,0]=4 165 B6R1.2 BrC1=CCCC1 Z8081 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|1,0,1]=3 169 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|0,1,2]=4 170 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|2,0,0]=3 171 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,1]=4 172 B6R1.2 NC1=NCCC1 3788AC [0,0,0,1,0,0|2,0,0]=3 173 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|3,0,0]=4 174 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|1,0,2]=4 175 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|0,0,2]=3 176 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|1,1,0]=3 177 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|1,2,0]=4 178 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|1,0,2]=4 179 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|2,0,1]=4 180 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|2,0,1]=4 181 B6R1.3 CCNC1CC1 4401AJ [0,0,0,1,0,0|2,0,1]=4 182 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,1,0,0|2,0,0]=3 183 B6R1.10 CC1(C)CCN1 Y7008 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.10 O=S1(=O)CCC1 V6677 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|2,0,0]=3 187 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,0,0,1,0,0|2,0,1]=4 188 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|3,0,0]=4 189 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [0,0,0,1,0,0|3,0,0]=4 190 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 191 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,1]=4 192 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|2,0,0]=4 195 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|0,1,0]=3 196 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|0,1,0]=3 197 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 198 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|2,0,0]=4 199 B3R0.2 NC(N)=O G570 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|1,1,0]=4 201 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|1,0,0]=3 202 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,0,0]=2 203 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,0,0]=2 204 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,0]=3 205 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|1,0,1]=4 206 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|0,1,1]=4 208 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,1]=4 209 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,0,2]=4 210 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|0,1,1]=4 211 B5R0.3 CNC(=O)NN 9285AA [1,1,0,0,0,0|2,0,0]=4 212 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|1,0,1]=4 213 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,0]=3 214 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,0]=3 215 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,0]=3 216 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,1]=4 217 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|1,1,0]=4 218 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|1,0,0]=3 219 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|1,0,1]=4 220 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|0,0,0]=2 221 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|0,0,2]=4 222 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 223 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|0,1,1]=4 224 B5R0.5 C[C@@H](O)C(=N)N X6061 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,0]=3 226 B5R0.5 NC(=O)C(F)Br 3265AE [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 NC(=O)C(F)I 3275AE [1,1,0,0,0,0|2,0,0]=4 228 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|2,0,0]=4 229 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|2,0,0]=4 230 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|2,0,0]=4 231 B5R0.5 O=C([O-])C(F)Br 8443AE [1,1,0,0,0,0|2,0,0]=4 232 B5R0.5 O=C([O-])C(F)I 0009AD [1,1,0,0,0,0|2,0,0]=4 233 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|1,0,1]=4 234 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|0,1,1]=4 235 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|1,0,1]=4 236 B5R0.2 CC#CCCO 6150AL [1,1,0,0,0,0|1,0,1]=4 237 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|1,0,1]=4 238 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|1,0,1]=4 239 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|0,1,1]=4 240 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|2,0,0]=4 241 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|0,0,1]=3 242 B5R0.2 CCOCCCl 7903AJ [1,1,0,0,0,0|0,1,1]=4 243 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|0,1,1]=4 244 B5R0.2 CC[Se][Se]CC 7651AL [1,1,0,0,0,0|0,1,1]=4 245 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|1,0,1]=4 246 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|2,0,0]=4 247 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|2,0,0]=4 248 B5R0.2 NC\C=C/CN Z2171 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|2,0,0]=4 250 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|2,0,0]=4 251 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|0,1,0]=3 252 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,2,0,0,0,0|1,0,1]=4 253 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,2,0,0,0,0|1,0,0]=3 256 B7R0.2 CC(C)NC(=O)CN 6712AE [0,2,0,0,0,0|1,0,0]=3 257 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|2,0,0]=4 258 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|1,0,0]=3 260 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,2,0,0,0,0|1,0,1]=4 261 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|1,0,1]=4 262 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|2,0,0]=4 263 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|2,0,0]=4 264 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.3 C=C(CC)CCCC 5608AL [0,2,0,0,0,0|2,0,0]=4 266 B7R0.3 C=C(CCl)OCOC 1799AL [0,2,0,0,0,0|1,1,0]=4 267 B7R0.3 C=CC(=O)NCCN 1689AB [0,2,0,0,0,0|1,0,1]=4 268 B7R0.3 C=CCNC(=O)CN 2048AD [0,2,0,0,0,0|1,0,1]=4 269 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|1,0,0]=3 270 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|2,0,0]=4 272 B7R0.3 CCNCC(=O)OC 2143AA [0,2,0,0,0,0|1,0,0]=3 273 B7R0.3 CCNCC(=O)OC 2988AC [0,2,0,0,0,0|1,0,0]=3 274 B7R0.3 CCOCC(=O)NN 2388AE [0,2,0,0,0,0|1,1,0]=4 275 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,0]=3 276 B7R0.3 COC(=N)CCCCl 2164AC [0,2,0,0,0,0|2,0,0]=4 277 B7R0.3 COC(=O)C#CCO 3414AB [0,2,0,0,0,0|1,0,1]=4 278 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 NCC(=O)NCCO 0947AF [0,2,0,0,0,0|1,0,0]=3 282 B7R0.5 C=C(Br)C(=O)OCC Y5466 [0,2,0,0,0,0|0,1,1]=4 283 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,2,0,0,0,0|1,0,1]=4 284 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,0]=3 285 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|1,0,1]=4 286 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|0,0,1]=3 287 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|2,0,0]=4 288 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,2,0,0,0,0|2,0,0]=4 289 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|2,0,0]=4 290 B7R0.5 NC(CCBr)C(=O)O E114 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|2,0,0]=4 294 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|2,0,0]=4 295 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [0,2,0,0,0,0|2,0,0]=4 296 B7R0.7 C=C=CC(=O)OCC 4330AD [0,2,0,0,0,0|0,1,1]=4 297 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|1,0,0]=3 298 B7R0.7 CCNC(=O)CNC 2852AF [0,2,0,0,0,0|1,0,0]=3 299 B7R0.7 CCOC(=O)CNC 5920AA [0,2,0,0,0,0|0,1,0]=3 300 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,2,0,0,0,0|0,1,1]=4 301 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,2,0,0,0,0|0,1,1]=4 302 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,2,0,0,0,0|0,1,1]=4 303 B7R0.7 CCOS(=O)OCC 7113AF [0,2,0,0,0,0|1,1,0]=4 304 B7R0.7 CCSC(=O)SCC 7782AL [0,2,0,0,0,0|0,0,0]=2 305 B7R0.7 O=C(CCO)CCO 5879AB [0,2,0,0,0,0|2,0,0]=4 306 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|1,0,0]=3 308 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|2,0,0]=4 309 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,2,0,0,0,0|1,0,0]=3 310 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,2,0,0,0,0|1,0,0]=3 311 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|2,0,0]=4 312 B7R0.10 COC(=O)C(O)CO 0209AP [0,2,0,0,0,0|2,0,0]=4 313 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|2,0,0]=4 314 B7R0.10 COC(=O)[C@@H](C)CO X3276 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,2,0,0,0,0|1,0,1]=4 316 B7R0.11 CCSS(=O)(=O)CC S198 [0,2,0,0,0,0|1,0,0]=3 317 B7R0.9 CC(=O)CC(F)(F)F 8006AD [0,2,0,0,0,0|2,0,0]=4 318 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,2,0,0,0,0|0,1,0]=3 319 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,2,0,0,0,0|1,0,1]=4 322 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|2,0,0]=4 325 B7R0.4 C=C(C)CCCCC 5698AL [0,2,0,0,0,0|2,0,0]=4 326 B7R0.4 C=CCCOC(C)=O 3121AL [0,2,0,0,0,0|0,1,0]=3 327 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|1,0,0]=3 329 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|1,0,1]=4 330 B7R0.4 CCCSCC(=O)O 6980AD [0,2,0,0,0,0|1,0,0]=3 331 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|0,1,0]=3 332 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,2,0,0,0,0|1,1,0]=4 333 B7R0.4 CC\C=C\CC(=O)O 7477AF [0,2,0,0,0,0|2,0,0]=4 334 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|2,0,0]=4 335 B7R0.4 COCC#CC(=O)O 2855AJ [0,2,0,0,0,0|2,0,0]=4 336 B7R0.4 N#CCCCC(=O)O W5958 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.4 NC(=O)CSCCO 6778AD [0,2,0,0,0,0|1,0,0]=3 338 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,2,0,0,0,0|2,0,0]=4 339 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|2,0,0]=4 340 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,2,0,0,0,0|0,0,1]=3 341 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|1,0,0]=3 342 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,2,0,0,0,0|1,0,1]=4 343 B7R0.6 CC(=O)NNC(C)=O D302 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,2,0,0,0,0|0,0,1]=3 345 B7R0.6 CC(C)CCC(=O)O 9893AB [0,2,0,0,0,0|2,0,0]=4 346 B7R0.6 CC(C)NCC(N)=O V7257 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|2,0,0]=4 348 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,2,0,0,0,0|2,0,0]=4 349 B7R0.8 CS(=O)(=O)NCCCl V4403 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.8 CS(=O)(=O)NCCN V7900 [0,2,0,0,0,0|2,0,0]=4 351 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|1,0,1]=4 352 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 353 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|2,0,0]=4 354 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|0,1,1]=4 355 B7R1.1 COC1=NCCN1 2725AB [0,1,0,1,0,0|2,0,0]=4 356 B7R1.1 CSC1=NCCS1 X2626 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|2,0,0]=4 358 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|0,1,1]=4 359 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|1,1,0]=4 360 B7R1.2 CN1CCC(=O)C1 B871 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,1,0,1,0,0|0,1,0]=3 362 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|1,0,1]=4 363 B7R1.2 NC1CNC(=O)C1 4028AC [0,1,0,1,0,0|1,0,0]=3 364 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|1,0,1]=4 365 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|1,0,0]=3 366 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|1,0,0]=3 369 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,1,0,0|1,1,0]=4 370 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.3 ClC1=CCCCC1 5746AC [0,1,0,1,0,0|2,0,0]=4 372 B7R1.3 O=C1C=CCCO1 X2978 [0,1,0,1,0,0|0,1,1]=4 373 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|1,0,1]=4 374 B7R1.3 O=C1NCCCO1 V6397 [0,1,0,1,0,0|0,1,0]=3 375 B7R1.3 S=C1NCCCS1 5563AE [0,1,0,1,0,0|0,1,0]=3 376 B7R1.4 BrC1=C(Br)CCC1 U121 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|0,1,1]=4 378 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,0]=3 380 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.4 N[C@H]1CCSC1=O S502 [0,1,0,1,0,0|0,0,0]=2 382 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|1,0,1]=4 383 B7R1.4 O=C1CCCC1Br X5623 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|0,1,0]=3 386 B7R1.10 C=C1CC(CN)C1 3039AF [0,1,0,1,0,0|2,0,0]=4 387 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|2,0,0]=4 388 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.22 COC(=O)C1CN1 6374AE [0,1,0,1,0,0|2,0,0]=4 390 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,1,0,1,0,0|2,0,0]=4 392 B7R1.20 CC(=O)CC1CC1 5730AB [0,1,0,1,0,0|1,0,0]=3 393 B7R1.18 CC(=O)N1C=CC1 6529AA [0,1,0,1,0,0|1,0,1]=4 394 B7R1.18 NC(=O)C1CCC1 F371 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|2,0,0]=4 398 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,1,0]=4 399 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.19 CC(=O)C1(C)CO1 Y9156 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.19 CC(=O)C1(F)CC1 7062AE [0,1,0,1,0,0|1,0,0]=3 402 B7R1.19 CC1(C(N)=O)CC1 W3452 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|2,0,0]=4 404 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|2,0,0]=4