0 B5R0.1 C#CCC(C)O 6664AL [0,0,0,0,0,0|0,0,4]=4 1 B5R0.1 C=C(C)CCBr Z4377 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=C(C)CON 4430AJ [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C=CCC(N)=O Y1568 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CC(Br)CC#N 6005AL [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)CON 7310AJ [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|1,0,0]=1 16 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CNCC(C)O 5343AD [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 CNCC(F)F 8440AH [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CNOC(C)=O 8699AL [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 COCC(=N)N 1769AJ [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.1 CS(=O)CCN 4290AE [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CSCC(=N)N 1816AJ [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 C[C@@H](O)CC#N 1173AL [0,0,0,0,0,0|1,0,3]=4 26 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|1,0,3]=4 31 B5R0.1 NOCC(=O)O 2959AB [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 O=C(O)\C=C/Br V3608 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 O=C(O)\C=C/I 9333AB [0,0,0,0,0,0|2,0,2]=4 35 B5R0.1 O=C(O)\C=C\I V7047 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CC(=N)NN 5131AB [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 43 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 C\C(N)=N/O 5291AE [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 N=C(N)CO X6638 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 NCC(=O)[O-] Z1943 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 57 B4R0.2 C=CC[Pd]Cl G754 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,1]=3 59 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|1,0,1]=3 60 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|1,0,0]=2 62 B4R0.2 CCCSC U677 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|1,0,1]=3 64 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 CSCCCl 7809AB [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|0,0,1]=2 67 B4R0.2 C\C=C\SC AMTGC066 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 NCCON W5869 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,0,2]=4 73 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|0,0,3]=4 74 B6R0.1 C#CCC(=O)OC 3698AB [0,1,0,0,0,0|0,0,2]=3 75 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,1]=3 76 B6R0.1 CC#CC(=O)OC X7106 [0,1,0,0,0,0|0,0,2]=3 77 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|0,0,0]=1 79 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|1,0,1]=3 80 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|1,0,1]=3 81 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|0,0,2]=3 82 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|0,0,2]=3 83 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,0,0,0,0|1,0,1]=3 84 B6R0.1 CCNC(=S)NN 3859AD [0,1,0,0,0,0|2,1,0]=4 85 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 CCOC(=N)CC 8352AC [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CCOC(C)CN Y4465 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CC[C@@H](N)COC 8948AH [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|2,0,1]=4 91 B6R0.1 CC[C@H](N)COC 9106AH [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|1,0,0]=2 93 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|1,0,0]=2 94 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|1,0,2]=4 95 B6R0.1 COC(=O)CCCl X6204 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|1,0,2]=4 97 B6R0.1 COCC(=O)OC J70196 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.1 C[C@H](CO)CCO 1249AL [0,1,0,0,0,0|1,0,2]=4 99 B6R0.1 NCC(=O)O[Ru]Cl 2335AH [0,1,0,0,0,0|3,0,0]=4 100 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|1,0,2]=4 101 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|1,0,2]=4 102 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,1,0,0,0,0|1,0,1]=3 103 B6R0.2 CC(=O)SC(C)=O 7216AF [0,1,0,0,0,0|1,0,1]=3 104 B6R0.2 CC(C)=NN(C)C 6998AL [0,1,0,0,0,0|3,0,0]=4 105 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|1,0,1]=3 106 B6R0.2 CC(C)CC(C)N I823 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.2 CC(N)CN(C)C 8452AC [0,1,0,0,0,0|2,0,0]=3 109 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|2,0,0]=3 110 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|2,0,0]=3 111 B6R0.2 CN(C)NC(N)=O 4373AL [0,1,0,0,0,0|3,0,0]=4 112 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,1,0,0,0,0|2,0,0]=3 114 B6R0.2 NC(=O)CC(=O)O 1571AB [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 C#CC(O)C(=O)O 5648AL [0,1,0,0,0,0|1,0,2]=4 116 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 CC(=O)C(=O)CCl 5581AE [0,1,0,0,0,0|1,0,1]=3 118 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 CC(=O)N(N)C#N R363 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 CC(CN)N(C)C 6653AD [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 CC(CO)C(=O)O Z7389 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|1,0,2]=4 124 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|0,1,2]=4 125 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|0,0,0]=1 126 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,1]=3 127 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|1,0,0]=2 128 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|0,0,0]=1 129 B6R0.3 CCN(C)C(=N)N 8784AC [0,1,0,0,0,0|3,0,0]=4 130 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|1,0,0]=2 131 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|1,0,0]=2 132 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.3 CON(C)C(=O)Cl 8593AL [0,1,0,0,0,0|3,0,0]=4 135 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|2,0,0]=3 136 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|1,0,0]=2 137 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|2,0,0]=3 138 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|2,0,0]=3 139 B6R0.3 C[C@H](O)[C@H](N)CO Z5595 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|0,0,2]=3 141 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|1,0,2]=4 142 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|2,0,0]=3 143 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|2,0,0]=3 150 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|2,0,0]=3 151 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,1,0,0,0,0|1,0,1]=3 152 B6R0.4 C#CCNC(C)=O 3665AL [0,1,0,0,0,0|0,0,2]=3 153 B6R0.4 C#CCNC(N)=O W6702 [0,1,0,0,0,0|1,0,2]=4 154 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|1,0,0]=2 155 B6R0.4 C=C(C)CCCO 2774AL [0,1,0,0,0,0|1,0,0]=2 156 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|1,0,1]=3 157 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|1,0,2]=4 158 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|1,0,0]=2 160 B6R0.4 CC(=O)SCC#N 6370AE [0,1,0,0,0,0|1,0,1]=3 161 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|1,0,0]=2 162 B6R0.4 CC(C)CCC=O Y1162 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|1,0,1]=3 164 B6R0.4 CC(C)CCCN 7575AF [0,1,0,0,0,0|1,0,1]=3 165 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|2,0,1]=4 166 B6R0.4 CC(C)OCCN 2664AC [0,1,0,0,0,0|2,0,1]=4 167 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|1,0,0]=2 168 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|1,0,0]=2 169 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|1,0,1]=3 170 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|1,0,1]=3 171 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|0,0,2]=3 172 B6R0.4 CCCNC(C)C 7560AH [0,1,0,0,0,0|1,0,1]=3 173 B6R0.4 CCCNC(N)=S 3447AF [0,1,0,0,0,0|1,1,0]=3 174 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|1,0,1]=3 176 B6R0.4 CCNCC(=O)O X5133 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.4 CCNCC(C)O 2626AE [0,1,0,0,0,0|0,0,2]=3 178 B6R0.4 CN(C)CCNN 5929AE [0,1,0,0,0,0|3,0,0]=4 179 B6R0.4 CNCCC(=O)O 5026AF [0,1,0,0,0,0|1,0,0]=2 180 B6R0.4 CNCCN(C)C J70105 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.4 COCCC(C)=O B939 [0,1,0,0,0,0|0,0,0]=1 182 B6R0.4 CSSCC(=O)O KMA0116 [0,1,0,0,0,0|2,0,0]=3 183 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|1,0,2]=4 184 B6R0.4 FC(F)=CCCBr 4541AD [0,1,0,0,0,0|2,0,1]=4 185 B6R0.4 N=C(N)NCCO 7232AE [0,1,0,0,0,0|3,0,0]=4 186 B6R0.4 N=C(N)NCCS 1070AH [0,1,0,0,0,0|3,0,0]=4 187 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|1,0,0]=2 188 B6R0.4 NC(=O)NCCCl 5576AL [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 NC(=O)OCCCl 7044AF [0,1,0,0,0,0|2,0,0]=3 190 B6R0.4 O=C(O)CCCS 7264AF [0,1,0,0,0,0|1,0,0]=2 191 B6R0.4 O=C([O-])C[N+]#C[K] X3794 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|1,0,2]=4 193 B6R0.5 CCNC(C)(C)C 3737AE [0,1,0,0,0,0|2,0,1]=4 194 B6R0.5 CCNS(=O)(=O)O 4020AE [0,1,0,0,0,0|3,0,0]=4 195 B6R0.5 CCOS(=O)(=O)[O-] 6862AF [0,1,0,0,0,0|3,0,0]=4 196 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|2,0,1]=4 197 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,0,0,0,0|2,0,0]=3 198 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,1,0,0,0,0|2,0,0]=3 199 B6R0.5 C[N+](C)(C)CCO 2907AC [0,1,0,0,0,0|3,0,0]=4 200 B6R0.5 O=P(O)(O)CCBr 7025AC [0,1,0,0,0,0|3,0,0]=4 201 B6R0.5 O=S(=O)(Cl)CCBr 5489AJ [0,1,0,0,0,0|3,0,0]=4 202 B6R1.2 BrC1=CCCC1 Z8081 [0,0,0,1,0,0|1,0,1]=3 203 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,0]=2 204 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|1,0,1]=3 205 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|0,1,1]=3 206 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|1,0,2]=4 209 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|1,0,2]=4 210 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,1]=4 211 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|1,0,1]=3 213 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|1,0,1]=3 214 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|2,0,1]=4 216 B6R1.2 NC1=NCCC1 3788AC [0,0,0,1,0,0|2,0,0]=3 217 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|2,0,0]=3 219 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|1,0,2]=4 221 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|1,0,2]=4 222 B6R1.2 O[C@@H]1CCSC1 1245AL [0,0,0,1,0,0|1,0,2]=4 223 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,0,2]=4 224 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|1,1,0]=3 225 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|2,0,1]=4 226 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|0,0,2]=3 227 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|2,0,1]=4 228 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|2,0,1]=4 229 B6R1.3 CCNC1CC1 4401AJ [0,0,0,1,0,0|2,0,1]=4 230 B6R1.3 COCC1CO1 1812AL [0,0,0,1,0,0|1,0,2]=4 231 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|1,0,2]=4 232 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|1,0,2]=4 233 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|2,0,1]=4 234 B6R1.3 OCCC1CC1 8510AD [0,0,0,1,0,0|2,0,1]=4 235 B6R1.5 CN1CC(N)C1 6718AC [0,0,0,1,0,0|2,0,1]=4 236 B6R1.5 CN1CC(O)C1 8767AC [0,0,0,1,0,0|1,0,2]=4 237 B6R1.5 NC1CC(O)C1 0869AA [0,0,0,1,0,0|1,0,2]=4 238 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,1,0,0|1,0,0]=2 239 B6R1.10 CC1(C)CCN1 Y7008 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|1,0,1]=3 241 B6R1.10 CC1(N)COC1 6470AA [0,0,0,1,0,0|2,0,1]=4 242 B6R1.10 CC1(N)COC1 W8972 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.10 O=S1(=O)CCC1 V6677 [0,0,0,1,0,0|2,0,0]=3 244 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|1,0,0]=2 245 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,0,0,1,0,0|1,0,1]=3 246 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|2,0,0]=3 247 B6R1.11 [C@H]1(C(=O)[O-])CO1 0144AF [0,0,0,1,0,0|2,0,0]=3 248 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 249 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,0]=3 250 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 251 B3R0.1 NCCN 4103AL [2,0,0,0,0,0|2,0,0]=4 252 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 253 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 254 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|2,0,0]=4 255 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 256 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 257 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|2,0,0]=4 258 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|2,0,0]=4 259 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|1,0,0]=3 260 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|1,0,0]=3 261 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 262 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|2,0,0]=4 263 B3R0.2 NC(N)=O G570 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|2,0,0]=4 265 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|2,0,0]=4 266 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,0,0]=2 267 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,0,0]=2 268 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,0]=3 269 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|1,0,1]=4 270 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|0,1,1]=4 272 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|0,0,2]=4 274 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|0,1,1]=4 275 B5R0.3 CNC(=O)NN 9285AA [1,1,0,0,0,0|2,0,0]=4 276 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|1,0,1]=4 277 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,0]=3 279 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,0]=3 280 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,1]=4 281 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|1,0,0]=3 282 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|1,0,1]=4 283 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|0,0,0]=2 284 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|0,0,2]=4 285 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 286 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|0,1,1]=4 287 B5R0.5 C[C@@H](O)C(=N)N X6061 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,0]=3 289 B5R0.5 NC(=O)C(F)Br 3265AE [1,1,0,0,0,0|2,0,0]=4 290 B5R0.5 NC(=O)C(F)I 3275AE [1,1,0,0,0,0|2,0,0]=4 291 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|2,0,0]=4 292 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|2,0,0]=4 293 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|2,0,0]=4 294 B5R0.5 O=C([O-])C(F)Br 8443AE [1,1,0,0,0,0|2,0,0]=4 295 B5R0.5 O=C([O-])C(F)I 0009AD [1,1,0,0,0,0|2,0,0]=4 296 B5R0.2 C#CCCCBr 9466AL [1,1,0,0,0,0|0,0,2]=4 297 B5R0.2 C=CCCC#N 8813AB [1,1,0,0,0,0|0,0,2]=4 298 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|0,0,1]=3 299 B5R0.2 C=CCCON 2267AA [1,1,0,0,0,0|1,0,1]=4 300 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|0,0,1]=3 301 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|1,0,1]=4 302 B5R0.2 CC#CCCO 6150AL [1,1,0,0,0,0|0,0,2]=4 303 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|0,0,1]=3 304 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|0,0,1]=3 305 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|0,0,1]=3 306 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|1,0,0]=3 307 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|0,0,1]=3 308 B5R0.2 CCOCCCl 7903AJ [1,1,0,0,0,0|1,0,1]=4 309 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|1,0,1]=4 310 B5R0.2 CC[Se][Se]CC 7651AL [1,1,0,0,0,0|1,0,1]=4 311 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|0,0,2]=4 312 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|1,0,0]=3 313 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,0]=3 314 B5R0.2 COCCON Y9404 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.2 ClCCOCCl 7247AA [1,1,0,0,0,0|2,0,0]=4 316 B5R0.2 NC\C=C/CN Z2171 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.2 [C-]#[N+]CCOC V5938 [1,1,0,0,0,0|1,0,1]=4 318 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|1,0,0]=3 319 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|1,0,0]=3 320 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|1,0,0]=3 321 B7R0.2 CC(=O)\C=C(\C)O[Rh] 7419AJ [0,2,0,0,0,0|0,0,2]=4 322 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,2,0,0,0,0|0,0,2]=4 323 B7R0.2 CC(=O)\C=C(\C)O[Rh] O524 [0,2,0,0,0,0|0,0,2]=4 324 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,2,0,0,0,0|1,0,0]=3 325 B7R0.2 CC(C)NC(=O)CN 6712AE [0,2,0,0,0,0|1,0,0]=3 326 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|1,0,0]=3 327 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|1,0,1]=4 328 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|1,0,0]=3 329 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|0,0,0]=2 330 B7R0.2 CN(C)CC(=O)NN W6825 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.2 CN(C)CC(O)CCl 4719AE [0,2,0,0,0,0|2,0,0]=4 332 B7R0.2 CN(C)CC(O)CN V6256 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,2,0,0,0,0|1,0,1]=4 334 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|0,0,2]=4 335 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,2,0,0,0,0|1,0,1]=4 336 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,0]=3 337 B7R0.2 COC(C)CC(C)O 5636AH [0,2,0,0,0,0|0,0,2]=4 338 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|1,0,0]=3 339 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.3 C=C(CC)CCCC 5608AL [0,2,0,0,0,0|1,0,0]=3 341 B7R0.3 C=C(CCl)OCOC 1799AL [0,2,0,0,0,0|2,0,0]=4 342 B7R0.3 C=CC(=O)NCCN 1689AB [0,2,0,0,0,0|1,0,1]=4 343 B7R0.3 C=CCNC(=O)CN 2048AD [0,2,0,0,0,0|0,0,2]=4 344 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|1,0,0]=3 345 B7R0.3 CCC(Cl)CCCCl 4475AE [0,2,0,0,0,0|1,0,1]=4 346 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|1,0,1]=4 347 B7R0.3 CCCCC(O)CC 8762AB [0,2,0,0,0,0|0,0,2]=4 348 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|0,0,0]=2 349 B7R0.3 CCCNC(C)CC 2356AE [0,2,0,0,0,0|1,0,1]=4 350 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|1,0,0]=3 351 B7R0.3 CCN(C)CCCO 4272AE [0,2,0,0,0,0|2,0,0]=4 352 B7R0.3 CCNCC(=O)OC 2143AA [0,2,0,0,0,0|0,0,0]=2 353 B7R0.3 CCNCC(=O)OC 2988AC [0,2,0,0,0,0|0,0,0]=2 354 B7R0.3 CCOCC(=O)NN 2388AE [0,2,0,0,0,0|1,0,0]=3 355 B7R0.3 CCOCC(N)CC 8270AE [0,2,0,0,0,0|1,0,1]=4 356 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|0,0,0]=2 357 B7R0.3 COC(=N)CCCCl 2164AC [0,2,0,0,0,0|1,0,0]=3 358 B7R0.3 COC(=O)C#CCO 3414AB [0,2,0,0,0,0|0,0,2]=4 359 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|0,0,1]=3 360 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|0,0,0]=2 361 B7R0.3 COCC\C(N)=N/O 7855AE [0,2,0,0,0,0|1,0,1]=4 362 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,2,0,0,0,0|0,0,1]=3 363 B7R0.3 NCC(=O)NCCO 0947AF [0,2,0,0,0,0|1,0,0]=3 364 B7R0.5 C=C(Br)C(=O)OCC Y5466 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,2,0,0,0,0|1,0,1]=4 366 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|1,0,1]=4 367 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|2,0,0]=4 368 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 CCCC(=O)C(=O)O 5775AL [0,2,0,0,0,0|0,0,1]=3 370 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|0,0,0]=2 371 B7R0.5 CCCC(O)C(C)C 5711AL [0,2,0,0,0,0|0,0,2]=4 372 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|1,0,0]=3 373 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|1,0,0]=3 374 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|1,0,0]=3 375 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|1,0,1]=4 376 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [0,2,0,0,0,0|1,0,0]=3 377 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|1,0,0]=3 379 B7R0.5 NC(CCBr)C(=O)O E114 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,0]=3 383 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|1,0,0]=3 384 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [0,2,0,0,0,0|1,0,0]=3 385 B7R0.7 C=C=CC(=O)OCC 4330AD [0,2,0,0,0,0|1,0,1]=4 386 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|0,0,2]=4 387 B7R0.7 CCCN(C)CCC 0883AE [0,2,0,0,0,0|2,0,0]=4 388 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|1,0,0]=3 389 B7R0.7 CCNC(=O)CNC 2852AF [0,2,0,0,0,0|1,0,0]=3 390 B7R0.7 CCOC(=O)CNC 5920AA [0,2,0,0,0,0|1,0,0]=3 391 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,2,0,0,0,0|1,0,1]=4 392 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,2,0,0,0,0|1,0,1]=4 393 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,2,0,0,0,0|1,0,1]=4 394 B7R0.7 CCOS(=O)OCC 7113AF [0,2,0,0,0,0|2,0,0]=4 395 B7R0.7 CCSC(=O)SCC 7782AL [0,2,0,0,0,0|1,0,0]=3 396 B7R0.7 O=C(CCO)CCO 5879AB [0,2,0,0,0,0|1,0,0]=3 397 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,1]=4 399 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|0,0,0]=2 400 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|1,0,0]=3 401 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|1,0,1]=4 402 B7R0.10 CC[C@@H](O)C(=O)OC 9868AL [0,2,0,0,0,0|0,0,0]=2 403 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [0,2,0,0,0,0|0,0,0]=2 404 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|1,0,1]=4 405 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|1,0,0]=3 406 B7R0.10 COC(=O)C(O)CO 0209AP [0,2,0,0,0,0|1,0,0]=3 407 B7R0.10 COC(=O)[C@@H](C)CBr 4140AL [0,2,0,0,0,0|1,0,0]=3 408 B7R0.10 COC(=O)[C@@H](C)CO X3276 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|2,0,0]=4 410 B7R0.10 C\C=C(/Br)C(=O)OC 3521AL [0,2,0,0,0,0|0,0,2]=4 411 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,2,0,0,0,0|2,0,0]=4 412 B7R0.11 CCSS(=O)(=O)CC S198 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.9 CC(=O)CC(F)(F)F 8006AD [0,2,0,0,0,0|1,0,0]=3 414 B7R0.9 CC(=O)OC(C)(C)C Y7726 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.9 CN(C)CC(C)(C)N 9307AJ [0,2,0,0,0,0|2,0,0]=4 417 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,2,0,0,0,0|2,0,0]=4 418 B7R0.9 NC(=O)CC(F)(F)F 6340AB [0,2,0,0,0,0|2,0,0]=4 419 B7R0.16 CC(=O)C(=O)C(C)Br Y2126 [0,2,0,0,0,0|0,0,1]=3 420 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,2,0,0,0,0|0,0,1]=3 421 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,2,0,0,0,0|2,0,0]=4 422 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,2,0,0,0,0|1,0,1]=4 423 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.13 CC(C)(CN)C(=O)O 2121AJ [0,2,0,0,0,0|2,0,0]=4 425 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.13 CNC(C)(C)C(=O)O 5084AH [0,2,0,0,0,0|2,0,0]=4 427 B7R0.13 NCC(F)(F)C(=O)O 5777AJ [0,2,0,0,0,0|2,0,0]=4 428 B7R0.15 CCC(CO)N(C)C 5536AD [0,2,0,0,0,0|2,0,0]=4 429 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|1,0,0]=3 430 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|2,0,0]=4 431 B7R0.4 C=C(C)CCCCC 5698AL [0,2,0,0,0,0|1,0,0]=3 432 B7R0.4 C=CCCOC(C)=O 3121AL [0,2,0,0,0,0|0,0,1]=3 433 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|0,0,0]=2 434 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|0,0,0]=2 435 B7R0.4 CC(C)CCCCO 6988AE [0,2,0,0,0,0|1,0,1]=4 436 B7R0.4 CC(C)COCCN 0042AD [0,2,0,0,0,0|1,0,1]=4 437 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|1,0,1]=4 438 B7R0.4 CC(C)OCCCCl U192 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.4 CC(C)OCCCO 9315AD [0,2,0,0,0,0|1,0,1]=4 440 B7R0.4 CC(O)CNCCO 7542AE [0,2,0,0,0,0|0,0,2]=4 441 B7R0.4 CCCCCC(C)C 5733AL [0,2,0,0,0,0|1,0,1]=4 442 B7R0.4 CCCCCC(C)Cl 5577AL [0,2,0,0,0,0|1,0,1]=4 443 B7R0.4 CCCCNC(C)C 2334AE [0,2,0,0,0,0|1,0,1]=4 444 B7R0.4 CCCSCC(=O)O 6980AD [0,2,0,0,0,0|1,0,0]=3 445 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|0,0,0]=2 446 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,2,0,0,0,0|1,0,1]=4 447 B7R0.4 CC\C=C\CC(=O)O 7477AF [0,2,0,0,0,0|1,0,0]=3 448 B7R0.4 CN(C)CCCCN 1354AE [0,2,0,0,0,0|2,0,0]=4 449 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|1,0,0]=3 450 B7R0.4 COCC#CC(=O)O 2855AJ [0,2,0,0,0,0|1,0,1]=4 451 B7R0.4 COCCN=C(N)N 8527AC [0,2,0,0,0,0|2,0,0]=4 452 B7R0.4 COCCNC(C)C 8018AC [0,2,0,0,0,0|1,0,1]=4 453 B7R0.4 N#CCCCC(=O)O W5958 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.4 NC(=O)CSCCO 6778AD [0,2,0,0,0,0|1,0,0]=3 455 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,2,0,0,0,0|1,0,0]=3 456 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|1,0,0]=3 457 B7R0.6 C=C(Cl)CSC(C)=O 8348AD [0,2,0,0,0,0|0,0,2]=4 458 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|0,0,0]=2 459 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,2,0,0,0,0|1,0,1]=4 460 B7R0.6 CC(=O)NNC(C)=O D302 [0,2,0,0,0,0|1,0,1]=4 461 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.6 CC(C)CCC(=O)O 9893AB [0,2,0,0,0,0|1,0,0]=3 463 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|1,0,1]=4 464 B7R0.6 CC(C)CCC(C)C 5381AL [0,2,0,0,0,0|1,0,1]=4 465 B7R0.6 CC(C)NCC(N)=O V7257 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.6 CN(C)CCN(C)C 2336AA [0,2,0,0,0,0|2,0,0]=4 467 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|1,0,0]=3 468 B7R0.6 O=C(O)CC[N+](=O)[O-] 6949AB [0,2,0,0,0,0|2,0,0]=4 469 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|0,0,2]=4 470 B7R0.8 CCCCC(C)(C)C 5136AL [0,2,0,0,0,0|1,0,1]=4 471 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,2,0,0,0,0|1,1,0]=4 472 B7R0.8 CCNCC(C)(C)O 9524AH [0,2,0,0,0,0|0,0,2]=4 473 B7R0.8 CNCCC(C)(C)C 9066AC [0,2,0,0,0,0|1,0,1]=4 474 B7R0.8 CNCCS(=O)(=O)O 7089AF [0,2,0,0,0,0|2,0,0]=4 475 B7R0.8 COCCS(=O)(=O)Cl V6335 [0,2,0,0,0,0|2,0,0]=4 476 B7R0.8 COCCS(=O)(=O)[O-] 7337AJ [0,2,0,0,0,0|2,0,0]=4 477 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,2,0,0,0,0|1,0,0]=3 478 B7R0.8 CS(=O)(=O)NCCCl V4403 [0,2,0,0,0,0|2,0,0]=4 479 B7R0.8 CS(=O)(=O)NCCN V7900 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.8 NCCCP(=O)(O)O V2414 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.8 NCCCS(N)(=O)=O Z6742 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.8 O=P(O)(O)CCCBr 4063AL [0,2,0,0,0,0|2,0,0]=4 483 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 484 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|2,0,0]=4 485 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|2,0,0]=4 486 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|1,0,1]=4 487 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|1,0,1]=4 488 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|1,0,1]=4 489 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|1,0,1]=4 490 B7R1.1 CCN1CCCC1 8555AL [0,1,0,1,0,0|2,0,0]=4 491 B7R1.1 COC1=NCCN1 2725AB [0,1,0,1,0,0|2,0,0]=4 492 B7R1.1 CSC1=NCCS1 X2626 [0,1,0,1,0,0|1,1,0]=4 493 B7R1.1 ClCC1CCCC1 Z6552 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.1 ClC[C@@H]1CCCN1 4318AB [0,1,0,1,0,0|1,0,1]=4 495 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|1,0,1]=4 496 B7R1.1 ICC1CCCC1 Y8539 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,1]=4 498 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.1 NC[C@@H]1CCCO1 Z5557 [0,1,0,1,0,0|0,0,2]=4 500 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|1,0,1]=4 501 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.1 NNC1CCCC1 9797AD [0,1,0,1,0,0|1,0,1]=4 503 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|1,0,1]=4 504 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,1,0,0|1,0,1]=4 505 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|1,0,1]=4 506 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|1,1,0]=4 507 B7R1.2 CN1CCC(=O)C1 B871 [0,1,0,1,0,0|0,0,0]=2 508 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,1,0,0|1,0,1]=4 509 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.2 CN1CC[C@@H](N)C1 8951AH [0,1,0,1,0,0|1,0,1]=4 511 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,1,0,0|1,0,1]=4 512 B7R1.2 C[C@@H]1COC(=O)O1 P610 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.2 C[C@H]1CC[C@H](C)N1 8587AH [0,1,0,1,0,0|1,0,1]=4 514 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|0,0,2]=4 515 B7R1.2 NC1CNC(=O)C1 4028AC [0,1,0,1,0,0|1,0,0]=3 516 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [0,1,0,1,0,0|0,0,2]=4 517 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|0,0,2]=4 518 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|0,0,0]=2 519 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|1,0,1]=4 521 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|2,0,0]=4 522 B7R1.2 O=C1OCC(Cl)O1 E933 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|1,0,1]=4 525 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,1]=4 527 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,1]=4 528 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|0,0,2]=4 529 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|0,0,2]=4 530 B7R1.3 ClC1=CCCCC1 5746AC [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 ClN1CCOCC1 X5216 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.3 FC1CCCCC1 1850AE [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.3 IC1CCOCC1 W4893 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.3 O=C1C=CCCO1 X2978 [0,1,0,1,0,0|0,0,2]=4 538 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|0,0,2]=4 539 B7R1.3 O=C1NCCCO1 V6397 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.3 S=C1NCCCS1 5563AE [0,1,0,1,0,0|1,1,0]=4 541 B7R1.4 BrC1=C(Br)CCC1 U121 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|1,0,1]=4 543 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|1,0,1]=4 544 B7R1.4 CC1CCCC1N 5365AE [0,1,0,1,0,0|1,0,1]=4 545 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [0,1,0,1,0,0|0,0,2]=4 547 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,0]=3 548 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.4 N[C@H]1CCSC1=O S502 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|0,0,2]=4 551 B7R1.4 O=C1CCCC1Br X5623 [0,1,0,1,0,0|0,0,0]=2 552 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|0,0,0]=2 553 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|1,0,0]=3 554 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|0,0,2]=4 555 B7R1.10 C=C1CC(CN)C1 3039AF [0,1,0,1,0,0|1,0,0]=3 556 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|1,0,0]=3 557 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|1,0,1]=4 558 B7R1.10 CCN1CC(O)C1 2284AJ [0,1,0,1,0,0|0,0,2]=4 559 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|2,0,0]=4 560 B7R1.10 CNC1CN(C)C1 0173AE [0,1,0,1,0,0|2,0,0]=4 561 B7R1.10 NCC1CC(O)C1 3176AF [0,1,0,1,0,0|0,0,2]=4 562 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|1,0,1]=4 563 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.22 COC(=O)C1CN1 6374AE [0,1,0,1,0,0|1,0,0]=3 565 B7R1.22 NC(CO)C1CC1 HTS033190 [0,1,0,1,0,0|1,0,1]=4 566 B7R1.22 N\C(=N/O)C1CC1 1453AB [0,1,0,1,0,0|1,0,1]=4 567 B7R1.22 [C@H]1(C(=O)OC)CO1 R140 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.25 NC1(CO)CCC1 9457AA [0,1,0,1,0,0|1,0,1]=4 569 B7R1.25 NCC1(O)CCC1 HTS033072 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,1,0,1,0,0|1,0,0]=3 571 B7R1.16 O=S1(=O)CC(Br)C1 A897 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.20 CC(=O)CC1CC1 5730AB [0,1,0,1,0,0|0,0,0]=2 573 B7R1.20 CC(C)NC1CC1 V4644 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.20 NC(=S)NC1CC1 V6652 [0,1,0,1,0,0|1,1,0]=4 575 B7R1.20 NC(N)=NC1CC1 5423AD [0,1,0,1,0,0|2,0,0]=4 576 B7R1.32 CC1(C)CC1(C)C 4327AL [0,1,0,1,0,0|1,0,1]=4 577 B7R1.18 CC(=O)N1C=CC1 6529AA [0,1,0,1,0,0|0,0,2]=4 578 B7R1.18 N=C(N)C1CCC1 1131AC [0,1,0,1,0,0|2,0,0]=4 579 B7R1.18 N=C(N)C1CCC1 9638AJ [0,1,0,1,0,0|2,0,0]=4 580 B7R1.18 NC(=O)C1CCC1 F371 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|1,0,0]=3 582 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|1,0,0]=3 584 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,0,0]=3 585 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.18 O=[N+]([O-])C1CCC1 X6394 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.19 CC(=O)C1(C)CO1 Y9156 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.19 CC(=O)C1(F)CC1 7062AE [0,1,0,1,0,0|0,0,0]=2 589 B7R1.19 CC1(C(N)=O)CC1 W3452 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.19 NC(=O)C1(Br)CC1 0213AB [0,1,0,1,0,0|1,0,0]=3 591 B7R1.19 O=C(O)C1(Br)CC1 4830AC [0,1,0,1,0,0|1,0,0]=3 592 B7R1.7 CCNCC1CC1 8749AD [0,1,0,1,0,0|1,0,1]=4 593 B7R1.7 CCOCC1CO1 7875AL [0,1,0,1,0,0|0,0,2]=4 594 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|1,0,1]=4 595 B7R1.26 NS(=O)(=O)C1CC1 1189AQ [0,1,0,1,0,0|2,0,0]=4 596 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|1,0,1]=4