0 B5R0.1 C#CCC(C)O 6664AL [0,0,0,0,0,0|2,0,2]=4 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|3,0,1]=4 3 B5R0.1 C=CCC(C)O 7318AF [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 C=CCC(N)=O Y1568 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CCSC(=N)N 2034AH [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 COCC(=N)N 1769AJ [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CSCC(=N)N 1816AJ [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|2,1,1]=4 15 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.1 C\C=C\C(N)=O 7909AD [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 N#CCC(=O)[O-] 7007AF [0,0,0,0,0,0|1,0,2]=3 19 B5R0.1 NC(=O)CCO 8063AJ [0,0,0,0,0,0|1,1,0]=2 20 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 O=C(O)\C=C/Br V3608 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.1 O=C(O)\C=C/I 9333AB [0,0,0,0,0,0|1,0,2]=3 23 B5R0.1 O=C(O)\C=C\I V7047 [0,0,0,0,0,0|1,0,2]=3 24 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CC(=O)NBr 6848AF [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|1,1,1]=4 28 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 30 B4R0.1 CSC(=N)N 4399AD [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 N=C(N)CO 6468AB [1,0,0,0,0,0|2,1,0]=4 35 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|3,0,0]=4 40 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|3,0,0]=4 42 B4R0.2 CCCSC U677 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|3,0,0]=4 48 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,0,2]=4 50 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 C#CCC(=O)OC 3698AB [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 CC#CC(=O)OC X7106 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|1,1,0]=3 55 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCC[C@@H](N)CO 2554AC [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCNC(=O)CBr 5060AE [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 CCNC(=O)CN 8793AD [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CCSC(=O)CC 8960AL [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CNC(=O)CCCl 2983AE [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|1,1,0]=3 63 B6R0.1 CNCC(=O)NC V5990 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|1,0,0]=2 65 B6R0.1 COC(=O)\C=C/Br 6846AE [0,1,0,0,0,0|1,0,2]=4 66 B6R0.1 COC(=O)\C=C/I 6847AE [0,1,0,0,0,0|1,0,2]=4 67 B6R0.1 COC(=O)\C=C\N 1217AQ [0,1,0,0,0,0|1,0,2]=4 68 B6R0.1 CSC\C(N)=N\O 8012AC [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 N\C(CCO)=N/O 5078AE [0,1,0,0,0,0|1,1,0]=3 70 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|0,1,2]=4 71 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|2,0,1]=4 72 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,1,0,0,0,0|0,1,2]=4 73 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|1,1,1]=4 74 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|2,0,1]=4 75 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|1,0,0]=2 76 B6R0.2 NC(=O)CC(=O)O 1571AB [0,1,0,0,0,0|0,1,1]=3 77 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|1,1,0]=3 79 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|0,0,0]=1 80 B6R0.3 CCC(Br)C(N)=O 5224AE [0,1,0,0,0,0|2,0,0]=3 81 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|2,0,0]=3 84 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|2,0,0]=3 90 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|3,0,0]=4 91 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|1,0,2]=4 93 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|1,1,0]=3 95 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|1,0,0]=2 96 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,1,0,0,0,0|0,1,0]=2 98 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|0,1,0]=2 101 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|0,1,1]=3 103 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,1,0,0,0,0|1,0,1]=3 104 B6R0.4 C#CCNC(C)=O 3665AL [0,1,0,0,0,0|2,0,1]=4 105 B6R0.4 C#CCNC(N)=O W6702 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|3,0,0]=4 107 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|3,0,0]=4 108 B6R0.4 C=CCOC(N)=O 0515AQ [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 CC(=O)CCCBr W5938 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|2,0,0]=3 112 B6R0.4 CC(=O)SCC#N 6370AE [0,1,0,0,0,0|2,0,1]=4 113 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|2,0,0]=3 114 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|3,0,0]=4 115 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|2,0,0]=3 116 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|2,0,1]=4 117 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CC\C=C\C(=O)O 6805AA [0,1,0,0,0,0|1,0,1]=3 119 B6R0.4 CSCCC(=O)Cl 6126AL [0,1,0,0,0,0|1,0,0]=2 120 B6R0.4 FC(F)=CCCBr 4541AD [0,1,0,0,0,0|3,0,0]=4 121 B6R0.4 N#CCNC(N)=O X4454 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.4 O=C(O)C#CCO 1204AC [0,1,0,0,0,0|0,1,1]=3 123 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|2,0,1]=4 124 B6R0.5 CCNS(=O)(=O)O 4020AE [0,1,0,0,0,0|3,0,0]=4 125 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,0,0,0,0|2,0,1]=4 126 B6R0.5 O=P(O)(O)CCBr 7025AC [0,1,0,0,0,0|2,0,0]=3 127 B6R0.5 O=S(=O)(Cl)CCBr 5489AJ [0,1,0,0,0,0|2,0,1]=4 128 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|3,0,0]=4 132 B6R1.2 NC1=NCCO1 5489AL [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 O=C1C=CCN1 V5771 [0,0,0,1,0,0|3,0,0]=4 134 B6R1.2 O=C1C=CCS1 1311AQ [0,0,0,1,0,0|3,0,0]=4 135 B6R1.2 OC1=CSC=C1 8873AA [0,0,0,1,0,0|1,0,2]=4 136 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,0,1]=3 137 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|2,1,0]=4 138 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|2,0,1]=4 139 B6R1.5 NC1CC(O)C1 3558AA [0,0,0,1,0,0|2,0,1]=4 140 B6R1.5 NC1CC(O)C1 Z3827 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.10 O=S1(=O)CCC1 V6677 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|1,1,0]=3 143 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|1,0,0]=2 144 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 147 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 148 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|0,0,1]=3 152 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|0,0,1]=3 153 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|0,0,1]=3 154 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|2,0,0]=4 155 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|2,0,0]=4 156 B3R0.2 O=C([O-])O 6221AA [2,0,0,0,0,0|0,1,0]=3 157 B3R0.2 O=S(O)O 8693AF [2,0,0,0,0,0|1,1,0]=4 158 B3R0.2 O=S(O)O S352 [2,0,0,0,0,0|1,1,0]=4 159 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|0,0,0]=2 161 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,0]=3 162 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,1]=4 164 B5R0.3 CNC(=O)CN X2965 [1,1,0,0,0,0|2,0,0]=4 165 B5R0.3 CNC(=O)NN 9285AA [1,1,0,0,0,0|2,0,0]=4 166 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|2,0,0]=4 167 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|2,0,0]=4 168 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|2,0,0]=4 169 B5R0.3 N\C(CCl)=N/O 0296AE [1,1,0,0,0,0|2,0,0]=4 170 B5R0.3 N\C(CO)=N\O 9010AE [1,1,0,0,0,0|1,1,0]=4 171 B5R0.4 CCS(=O)(=O)F 0529AQ [1,1,0,0,0,0|1,0,1]=4 172 B5R0.4 CNS(=O)(=O)O 5637AB [1,1,0,0,0,0|2,0,0]=4 173 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|2,0,0]=4 174 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|0,0,2]=4 175 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,1,0,0,0,0|0,0,2]=4 176 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|1,0,0]=3 177 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|1,0,1]=4 178 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 179 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|0,0,0]=2 180 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,0]=3 181 B5R0.5 NC(=O)C(F)Br 3265AE [1,1,0,0,0,0|2,0,0]=4 182 B5R0.5 NC(=O)C(F)I 3275AE [1,1,0,0,0,0|2,0,0]=4 183 B5R0.5 O=C(O)C(=O)O 7001AF [1,1,0,0,0,0|0,1,1]=4 184 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|1,0,0]=3 185 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|1,0,0]=3 187 B5R0.5 O=C([O-])C(F)Br 8443AE [1,1,0,0,0,0|1,0,1]=4 188 B5R0.5 O=C([O-])C(F)Cl 8442AE [1,1,0,0,0,0|1,0,1]=4 189 B5R0.5 O=C([O-])C(F)I 0009AD [1,1,0,0,0,0|1,0,1]=4 190 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|2,0,0]=4 191 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|2,0,0]=4 192 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|2,0,0]=4 193 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|1,0,1]=4 194 B5R0.2 CCC\C=N\O 7272AF [1,1,0,0,0,0|1,0,0]=3 195 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,1]=4 196 B5R0.2 CSCCC#N 5452AE [1,1,0,0,0,0|1,0,1]=4 197 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|1,0,0]=3 198 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|1,1,0]=4 199 B7R0.2 CCC(N)CC(=O)O 2363AL [0,2,0,0,0,0|1,0,0]=3 200 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|2,0,0]=4 201 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,2,0,0,0,0|1,0,0]=3 202 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,2,0,0,0,0|1,0,0]=3 203 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,2,0,0,0,0|0,1,1]=4 204 B7R0.2 COC(=O)CC(N)=S 7011AJ [0,2,0,0,0,0|0,0,2]=4 205 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|0,1,0]=3 206 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|1,0,0]=3 207 B7R0.3 C=CC(=O)NCCC 3769AL [0,2,0,0,0,0|2,0,0]=4 208 B7R0.3 C=CC(=O)NCCN 1689AB [0,2,0,0,0,0|2,0,0]=4 209 B7R0.3 C=CCCC(=O)OC 0026AQ [0,2,0,0,0,0|1,0,0]=3 210 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|2,0,0]=4 211 B7R0.3 CCC(=O)NCCO 8325AL [0,2,0,0,0,0|1,1,0]=4 212 B7R0.3 CCNCC(=O)OC 2143AA [0,2,0,0,0,0|1,0,0]=3 213 B7R0.3 CCNCC(=O)OC 2988AC [0,2,0,0,0,0|1,0,0]=3 214 B7R0.3 CCOCC(=O)NN 2388AE [0,2,0,0,0,0|2,0,0]=4 215 B7R0.3 CNC(=O)CCCN 5583AD [0,2,0,0,0,0|2,0,0]=4 216 B7R0.3 CNCCC(=O)NC 4515AE [0,2,0,0,0,0|2,0,0]=4 217 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|2,0,0]=4 218 B7R0.3 CNCCC(=O)OC 1857AB [0,2,0,0,0,0|1,0,0]=3 219 B7R0.3 CNCCC(=O)OC X3419 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.3 COC(=N)CCCCl 2164AC [0,2,0,0,0,0|2,0,0]=4 221 B7R0.3 COC(=O)C#CCO 3414AB [0,2,0,0,0,0|0,1,1]=4 222 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|0,1,0]=3 223 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|0,0,0]=2 224 B7R0.3 COCC\C(N)=N/O 7855AE [0,2,0,0,0,0|1,1,0]=4 225 B7R0.3 CSCCC(N)CO 8517AA [0,2,0,0,0,0|1,0,1]=4 226 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,2,0,0,0,0|1,0,1]=4 227 B7R0.3 NCC(=O)NCCO 0947AF [0,2,0,0,0,0|1,1,0]=4 228 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,2,0,0,0,0|1,0,0]=3 229 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|2,0,0]=4 230 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|2,0,0]=4 232 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|1,0,0]=3 233 B7R0.5 CN(C)C(=O)CCCl 5555AD [0,2,0,0,0,0|2,0,0]=4 234 B7R0.5 CN(C)C(=O)CCN X4955 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|0,1,0]=3 236 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,2,0,0,0,0|0,1,1]=4 237 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|1,0,0]=3 239 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,0]=3 242 B7R0.7 C=CCC(=O)OCC X3652 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|2,0,0]=4 244 B7R0.7 CCOC(=N)CCCl 7257AD [0,2,0,0,0,0|2,0,0]=4 245 B7R0.10 C=C(CCl)C(=O)OC X7009 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.10 CCC(=O)C(=O)OC W5987 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|2,0,0]=4 248 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|2,0,0]=4 249 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|0,1,1]=4 250 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,2,0,0,0,0|0,1,0]=3 251 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|0,1,0]=3 252 B7R0.10 COC(=O)C(N)CCl W5534 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|1,0,0]=3 254 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|0,1,1]=4 255 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,2,0,0,0,0|2,0,0]=4 256 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.9 NC(=O)CC(F)(F)F 6340AB [0,2,0,0,0,0|2,0,0]=4 258 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,2,0,0,0,0|2,0,0]=4 259 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.13 CC(C)(CN)C(=O)O 9909AA [0,2,0,0,0,0|1,0,0]=3 262 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.13 NCC(F)(F)C(=O)O 5777AJ [0,2,0,0,0,0|1,0,0]=3 264 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|1,0,0]=3 265 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|0,1,0]=3 266 B7R0.4 C=CCCOC(C)=O 3121AL [0,2,0,0,0,0|2,0,0]=4 267 B7R0.4 C=CCSCC(=O)O 6981AD [0,2,0,0,0,0|1,0,0]=3 268 B7R0.4 CC(=O)CCCC#N 6789AL [0,2,0,0,0,0|2,0,0]=4 269 B7R0.4 CC(=O)NCCCN V5818 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|1,1,0]=4 272 B7R0.4 CCCCNC(C)=O 7541AF [0,2,0,0,0,0|2,0,0]=4 273 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|1,1,0]=4 274 B7R0.4 CCSCCC(=O)O 8721AE [0,2,0,0,0,0|0,0,0]=2 275 B7R0.4 COCCNC(N)=O V4427 [0,2,0,0,0,0|1,1,0]=4 276 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|2,0,0]=4 277 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,2,0,0,0,0|0,1,1]=4 278 B7R0.6 N=C(N)NCC(=O)O 4588AD [0,2,0,0,0,0|1,0,1]=4 279 B7R0.8 O=P(O)(O)CCCBr 4063AL [0,2,0,0,0,0|2,0,0]=4 280 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|2,0,0]=4 281 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|1,0,1]=4 282 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 283 B5R1.1 C1CNOC1 2460AE [1,0,0,1,0,0|1,0,1]=4 284 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|2,0,0]=4 285 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|1,0,1]=4 286 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|1,0,1]=4 287 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,1,0,0|1,0,0]=3 289 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|2,0,0]=4 290 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,1,0,0|2,0,0]=4 291 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|1,1,0]=4 292 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|2,0,0]=4 293 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|0,1,0]=3 295 B7R1.3 BrC1=CCSCC1 Z8895 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.3 O=C1C=CCCN1 9030AB [0,1,0,1,0,0|2,0,0]=4 297 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,1,0,0|2,0,0]=4 298 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|1,0,1]=4 299 B7R1.4 NN1CCCC1=O 0452AB [0,1,0,1,0,0|2,0,0]=4 300 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,1,0,0|2,0,0]=4 301 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|2,0,0]=4 302 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.4 O=C1NCC[C@H]1O W8410 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|2,0,0]=4 305 B7R1.10 O=C1CC(CO)C1 9616AA [0,1,0,1,0,0|1,1,0]=4 306 B7R1.22 N\C(=N/O)C1CC1 1453AB [0,1,0,1,0,0|2,0,0]=4 307 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.18 NC(=O)C1CNC1 1496AC [0,1,0,1,0,0|2,0,0]=4 309 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|1,0,0]=3 311 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|0,1,0]=3