0 B5R0.3 C=C[C@H](O)CO 1303AL [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CC(CN)CN 1710AB [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CC(CN)CO 0163AC [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 CCC(=O)CN X8894 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CCC(=O)CO X5132 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.3 CCC(=S)OC R571 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(C)CCl U282 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.3 CCC(C)NN 9798AD [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 CCC(Cl)CCl 4449AL [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CCC(O)C#N 7246AF [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CCC(O)CBr 4766AL [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 CCC(S)CS 4441AL [0,0,0,0,0,0|1,1,1]=3 12 B5R0.3 CC[C@H](C)CCl 4194AL [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 CNC(C)C#N V3698 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 COC(C)C#N 0627AE [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CO[SiH](C)OC I516 [0,0,0,0,0,0|3,1,0]=4 16 B5R0.3 C\C(C=O)=C/N 3293AB [0,0,0,0,0,0|1,0,2]=3 17 B5R0.3 C\C=C(/C)CC 0241AQ [0,0,0,0,0,0|1,0,1]=2 18 B5R0.3 C\C=C(/C)CC 9220AL [0,0,0,0,0,0|1,0,1]=2 19 B5R0.3 C\C=C(\C)CC 7440AL [0,0,0,0,0,0|1,0,1]=2 20 B5R0.3 FCC(Br)CBr 3889AE [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 N#CC(Br)CBr 3926AE [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 BrCC(Br)Br X2956 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 C=C(F)CCl 6785AE [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 CC(=O)NBr 6847AF [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(=O)NBr 6848AF [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|1,1,0]=3 32 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 34 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 FC(Cl)CCl 3256AE [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 CCCSC U677 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CCSCC E138 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 52 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|3,0,0]=4 55 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|3,0,0]=4 56 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,0,2]=4 57 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 C#CCC(O)CC 6781AL [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,0]=2 60 B6R0.1 CCC(O)CNN 2943AE [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|1,0,1]=3 63 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|0,0,2]=3 64 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CCC[C@@H](N)CO 2554AC [0,1,0,0,0,0|1,0,2]=4 66 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|1,0,1]=3 67 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|0,0,2]=3 68 B6R0.1 CCOC(C)CC 8956AL [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|0,0,2]=3 71 B6R0.1 CNC(C)CCO 8891AD [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|2,0,0]=3 77 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|2,0,1]=4 78 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|1,0,2]=4 80 B6R0.3 CC(CS)C(=O)O Y3236 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.3 CCC(Br)C(N)=O 5224AE [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|0,0,0]=1 83 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CCN(C)C(=N)N 8784AC [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,1,0,0,0,0|0,0,0]=1 88 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,1,0,0,0,0|0,0,0]=1 89 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 CSC(C)C(=O)O 6148AE [0,1,0,0,0,0|1,0,0]=2 93 B6R0.3 CSC(C)C(C)=O 6125AL [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|1,0,0]=2 95 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,1,0,0,0,0|0,0,2]=3 96 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,1,0,0,0,0|0,0,2]=3 97 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 NC(=O)C(N)CO 2131AB [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|2,0,0]=3 100 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,1,0,0,0,0|2,0,0]=3 103 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,1,0,0,0,0|2,0,0]=3 104 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,1,0,0,0,0|2,0,0]=3 105 B6R0.3 O=C(O)C(O)CCl 2399AL [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 O=C([O-])C(O)CO 7310AL [0,1,0,0,0,0|2,0,0]=3 107 B6R0.8 CCC(C)(N)CC 1117AE [0,1,0,0,0,0|1,0,1]=3 108 B6R0.8 CCC(C)(O)C#N 5636AB [0,1,0,0,0,0|1,0,1]=3 109 B6R0.8 COC(C)(C)ON 8694AL [0,1,0,0,0,0|3,0,0]=4 110 B6R0.9 CCC(CC)NC 7289AJ [0,1,0,0,0,0|1,0,1]=3 111 B6R0.9 CCC(CC)NN 1078AD [0,1,0,0,0,0|2,0,0]=3 112 B6R0.9 CCC(CN)OC 8133AC [0,1,0,0,0,0|1,0,1]=3 113 B6R0.9 CCC(CN)OC X2088 [0,1,0,0,0,0|1,0,1]=3 114 B6R0.9 CCC(CO)OC 5682AL [0,1,0,0,0,0|0,0,2]=3 115 B6R0.9 CCC(OC)OC 8873AL [0,1,0,0,0,0|2,0,0]=3 116 B6R0.9 O=CC(C=O)C=O 1725AJ [0,1,0,0,0,0|1,0,2]=4 117 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,1]=3 118 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|1,0,1]=3 123 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|0,0,2]=3 124 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|1,0,2]=4 125 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 FC1CCNC1 W3697 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|1,0,2]=4 133 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 N[C@H]1CCOC1 W4304 [0,0,0,1,0,0|1,0,2]=4 135 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,1,1]=4 136 B6R1.6 CNC1CNC1 1896AB [0,0,0,1,0,0|2,0,1]=4 137 B6R1.6 COC1CNC1 Y5064 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.6 ClCC1COC1 2027AJ [0,0,0,1,0,0|1,0,2]=4 139 B6R1.6 NCC1CCN1 0858AA [0,0,0,1,0,0|2,0,1]=4 140 B6R1.6 NCC1CCN1 6521AH [0,0,0,1,0,0|2,0,1]=4 141 B6R1.6 NCC1CCO1 V8594 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.6 NCC1CNC1 2747AA [0,0,0,1,0,0|2,0,1]=4 143 B6R1.6 NCC1COC1 W7450 [0,0,0,1,0,0|1,0,2]=4 144 B6R1.6 NNC1CCC1 3961AJ [0,0,0,1,0,0|2,0,0]=3 145 B6R1.6 O=CC1COC1 5573AA [0,0,0,1,0,0|1,0,0]=2 146 B6R1.7 C[C@]1(CO)CO1 1288AL [0,0,0,1,0,0|1,0,2]=4 147 B6R1.7 N#CC1(Br)CC1 9789AL [0,0,0,1,0,0|2,0,1]=4 148 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 149 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 151 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 152 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 153 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 154 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 159 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 160 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,1]=4 161 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,0,0]=3 162 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|0,0,2]=4 163 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 C=CCC(=C)C 5694AL [1,1,0,0,0,0|0,0,2]=4 165 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,0]=3 166 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|0,0,2]=4 167 B5R0.1 C=COC(C)C 3476AL [1,1,0,0,0,0|1,0,0]=3 168 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|0,0,2]=4 169 B5R0.1 CC(Br)CC#N 6005AL [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 CC(C)=CCCl 7671AJ [1,1,0,0,0,0|1,0,1]=4 171 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|0,0,1]=3 172 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|1,0,1]=4 173 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|0,0,2]=4 174 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|0,0,1]=3 175 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|0,0,1]=3 176 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|0,0,1]=3 177 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|0,0,1]=3 178 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,0,1]=3 179 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|1,0,0]=3 180 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,0]=3 181 B5R0.1 NC(=O)CCO 8063AJ [1,1,0,0,0,0|1,0,1]=4 182 B5R0.1 O=C(O)CCF 6350AB [1,1,0,0,0,0|1,0,1]=4 183 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [1,1,0,0,0,0|1,1,0]=4 184 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|1,0,1]=4 185 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,0]=3 186 B5R0.4 CCS(=O)(=O)F 0529AQ [1,1,0,0,0,0|2,0,0]=4 187 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,1]=3 188 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|1,0,1]=4 189 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,1,0,0,0,0|1,0,1]=4 190 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|0,0,1]=3 191 B5R0.5 CC(=S)N(C)C 3685AL [1,1,0,0,0,0|1,1,0]=4 192 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [1,1,0,0,0,0|2,0,0]=4 193 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|0,0,1]=3 194 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 195 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 CN(C)C(=N)N 3681AL [1,1,0,0,0,0|2,0,0]=4 197 B5R0.5 CN(C)C(N)=S 8335AE [1,1,0,0,0,0|1,1,0]=4 198 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,0]=3 199 B5R0.5 NC(=O)C(F)Br 3265AE [1,1,0,0,0,0|2,0,0]=4 200 B5R0.5 NC(=O)C(F)I 3275AE [1,1,0,0,0,0|2,0,0]=4 201 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|2,0,0]=4 202 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|2,0,0]=4 203 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|2,0,0]=4 204 B5R0.5 O=C([O-])C(F)Br 8443AE [1,1,0,0,0,0|2,0,0]=4 205 B5R0.5 O=C([O-])C(F)Cl 8442AE [1,1,0,0,0,0|2,0,0]=4 206 B5R0.5 O=C([O-])C(F)I 0009AD [1,1,0,0,0,0|2,0,0]=4 207 B5R0.2 C#CCCCBr 9466AL [1,1,0,0,0,0|1,0,1]=4 208 B5R0.2 C#CCCCI 0230AQ [1,1,0,0,0,0|1,0,1]=4 209 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|1,0,0]=3 210 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|1,0,0]=3 211 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|2,0,0]=4 212 B5R0.2 C=CC\C=C/C 0307AQ [1,1,0,0,0,0|1,0,1]=4 213 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|0,0,2]=4 214 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|1,0,1]=4 216 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|1,0,1]=4 217 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.2 CCC\C=N\O 7272AF [1,1,0,0,0,0|0,0,1]=3 219 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,1]=4 222 B5R0.2 CSCCC#N 5452AE [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 [C-]#[N+]CCOC V5938 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|1,0,0]=3 225 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|0,0,2]=4 226 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|0,0,2]=4 227 B7R0.2 CC(CO)CN(C)C 0615AE [0,2,0,0,0,0|0,0,2]=4 228 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|1,0,1]=4 229 B7R0.2 CCC(N)CC(=O)O 2363AL [0,2,0,0,0,0|1,0,0]=3 230 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|1,0,0]=3 231 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,2,0,0,0,0|1,0,0]=3 232 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|1,0,1]=4 234 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,0]=3 235 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|2,0,0]=4 236 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|1,0,1]=4 237 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 CC[C@H](C)CCCO 4203AL [0,2,0,0,0,0|0,0,2]=4 239 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,2,0,0,0,0|1,0,1]=4 241 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|2,0,0]=4 242 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|2,0,0]=4 243 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.5 CCNC(C)C(N)=O 7697AD [0,2,0,0,0,0|0,0,0]=2 245 B7R0.5 CCSC(C)C(=O)O 6924AD [0,2,0,0,0,0|0,0,0]=2 246 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,2,0,0,0,0|1,0,0]=3 247 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,2,0,0,0,0|1,0,1]=4 248 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,2,0,0,0,0|1,0,0]=3 250 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,0]=3 251 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,0]=3 252 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,0]=3 253 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|0,0,2]=4 254 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,0]=3 255 B7R0.10 CCC(=O)C(=O)OC W5987 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.10 CCC(=O)C(O)CC 8871AL [0,2,0,0,0,0|1,0,0]=3 257 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|1,0,1]=4 258 B7R0.10 CCN(C)C(=O)CCl 8970AD [0,2,0,0,0,0|1,0,0]=3 259 B7R0.10 CNC(=O)C(C)NC 7051AE [0,2,0,0,0,0|1,0,0]=3 260 B7R0.10 CN[C@@H](C)C(=O)OC 0307AB [0,2,0,0,0,0|1,0,0]=3 261 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|1,0,1]=4 262 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,2,0,0,0,0|2,0,0]=4 263 B7R0.10 COC(=O)C(F)CO 0323AC [0,2,0,0,0,0|2,0,0]=4 264 B7R0.10 COC(=O)C(N)CCl W5534 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|2,0,0]=4 266 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,0,0]=3 267 B7R0.10 C\C=C(\C)C(=O)OC 7087AL [0,2,0,0,0,0|0,0,2]=4 268 B7R0.11 C=C[Si](C)(C)OCC 3277AL [0,2,0,0,0,0|1,1,0]=4 269 B7R0.11 CCOC(C)(C)CC 9029AL [0,2,0,0,0,0|1,0,1]=4 270 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|2,0,0]=4 271 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|1,0,1]=4 272 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.12 C=CCN(CC)CC 8432AL [0,2,0,0,0,0|2,0,0]=4 274 B7R0.12 CCNC(CC)CC 2358AE [0,2,0,0,0,0|1,0,1]=4 275 B7R0.12 CCN[C@@H](CC)CO 2889AC [0,2,0,0,0,0|0,0,2]=4 276 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|2,0,0]=4 277 B7R0.13 C#CC(C)(C)C(=O)O Z3525 [0,2,0,0,0,0|0,0,2]=4 278 B7R0.13 CC(C)(C#N)C(N)=O 1674AC [0,2,0,0,0,0|1,0,1]=4 279 B7R0.13 CC(C)(CN)C(=O)O 9909AA [0,2,0,0,0,0|1,0,0]=3 280 B7R0.13 CCC(C)(N)C(=O)O V6829 [0,2,0,0,0,0|0,0,0]=2 281 B7R0.13 COC(C)(C)C(C)=O X6059 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.13 NCC(F)(F)C(=O)O 5777AJ [0,2,0,0,0,0|2,0,0]=4 283 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|2,0,0]=4 284 B7R0.15 CCC(OC)C(=O)O 8292AB [0,2,0,0,0,0|0,0,0]=2 285 B7R0.15 CCN(CC)C(=N)N S693 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.15 CCN(CC)C(=S)Cl I711 [0,2,0,0,0,0|1,1,0]=4 287 B7R0.15 CN[C@H](CO)C(=O)O 0556AP [0,2,0,0,0,0|1,0,0]=3 288 B7R0.15 COC(OC)C(C)O 0165AQ [0,2,0,0,0,0|2,0,0]=4 289 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,2,0,0,0,0|1,0,1]=4 290 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,2,0,0,0,0|1,0,0]=3 291 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,2,0,0,0,0|1,0,1]=4 292 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,2,0,0,0,0|1,0,1]=4 293 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.18 C#CC(O)(CC)CC 8060AJ [0,2,0,0,0,0|1,0,1]=4 295 B7R0.18 CCC(N)(C#N)CC V4497 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.18 CCC(O)(CC)CC 6047AL [0,2,0,0,0,0|1,0,1]=4 297 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|0,0,1]=3 298 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|2,0,0]=4 299 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|2,0,0]=4 300 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|1,0,1]=4 301 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,1]=4 302 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|1,0,1]=4 303 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|1,0,1]=4 304 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|2,0,0]=4 305 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|2,0,0]=4 306 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|1,0,1]=4 307 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|0,1,1]=4 308 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 309 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|2,0,0]=4 310 B5R1.1 C1CNOC1 2460AE [1,0,0,1,0,0|1,0,1]=4 311 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|1,0,1]=4 312 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|0,0,2]=4 313 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|1,0,0]=3 314 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|1,0,1]=4 315 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|1,0,1]=4 316 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|1,0,1]=4 317 B7R1.1 CNC1CCNC1 2827AC [0,1,0,1,0,0|1,0,1]=4 318 B7R1.1 CNC1CCOC1 Z5570 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|1,0,1]=4 320 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|0,0,2]=4 321 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|0,0,2]=4 322 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|1,0,1]=4 323 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,1,0,0|1,0,1]=4 324 B7R1.1 N#CC1CCCO1 7250AA [0,1,0,1,0,0|1,0,1]=4 325 B7R1.1 N#CC1CCNC1 Y6938 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.1 N#CC1CCOC1 X2033 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 NCC1CCCC1 3975AJ [0,1,0,1,0,0|1,0,1]=4 330 B7R1.1 NCC1CCNC1 0361AC [0,1,0,1,0,0|1,0,1]=4 331 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|1,0,1]=4 333 B7R1.1 NNC1CCCC1 9797AD [0,1,0,1,0,0|2,0,0]=4 334 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,1,0,0|2,0,0]=4 335 B7R1.1 O=CC1=CCSC1 2331AA [0,1,0,1,0,0|0,0,2]=4 336 B7R1.1 O=CN1CCCC1 0706AQ [0,1,0,1,0,0|1,0,0]=3 337 B7R1.1 OCC1CCNC1 W6601 [0,1,0,1,0,0|0,0,2]=4 338 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,1,0,0|2,0,0]=4 339 B7R1.2 CC1CCC(C)O1 Z5431 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,1,0,0|1,0,0]=3 342 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|1,1,0]=4 343 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|2,0,0]=4 344 B7R1.2 NC1=CC(=O)CC1 2359AL [0,1,0,1,0,0|1,0,1]=4 345 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,1,0,0|2,0,0]=4 346 B7R1.2 O=C1C=C(O)CC1 6113AE [0,1,0,1,0,0|1,0,1]=4 347 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|1,0,0]=3 348 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|2,0,0]=4 350 B7R1.2 O[C@@H]1C=C[C@H](O)C1 3216AL [0,1,0,1,0,0|2,0,0]=4 351 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,0]=3 352 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,1]=4 353 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|0,0,2]=4 354 B7R1.3 CC1CNCCO1 8808AB [0,1,0,1,0,0|1,0,1]=4 355 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|2,0,0]=4 357 B7R1.4 CC1=CCOC1=O 7576AD [0,1,0,1,0,0|0,0,2]=4 358 B7R1.4 CC1C=NNC1=O 1336AQ [0,1,0,1,0,0|1,0,1]=4 359 B7R1.4 NN1CCCC1=O 0452AB [0,1,0,1,0,0|2,0,0]=4 360 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,1,0,0|1,0,0]=3 361 B7R1.4 O=C1CCC=C1Br 8037AC [0,1,0,1,0,0|1,0,1]=4 362 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.4 O=C1NCC[C@H]1O W8410 [0,1,0,1,0,0|1,0,0]=3 364 B7R1.6 CCOC1CNC1 4280AC [0,1,0,1,0,0|1,0,1]=4 365 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|1,0,1]=4 366 B7R1.6 O=CC=C1COC1 5578AC [0,1,0,1,0,0|1,0,1]=4 367 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|0,0,0]=2 368 B7R1.6 S=C=NC1CCC1 6570AE [0,1,0,1,0,0|0,1,1]=4 369 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|2,0,0]=4 370 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|1,0,1]=4 371 B7R1.10 CNC1CN(C)C1 0173AE [0,1,0,1,0,0|2,0,0]=4 372 B7R1.10 N#CC1CC(O)C1 0378AB [0,1,0,1,0,0|1,0,1]=4 373 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,1,0,1,0,0|1,0,1]=4 374 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [0,1,0,1,0,0|0,0,2]=4 375 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|1,0,0]=3 376 B7R1.10 O=C1CC(CO)C1 9616AA [0,1,0,1,0,0|1,0,0]=3 377 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|1,0,1]=4 379 B7R1.25 CC1(CN)COC1 5827AA [0,1,0,1,0,0|1,0,1]=4 380 B7R1.25 N#CC1(N)CCC1 W8002 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.25 N#CC1(N)CCC1 Y1130 [0,1,0,1,0,0|1,0,1]=4 382 B7R1.18 N=C(N)C1CCC1 9638AJ [0,1,0,1,0,0|1,0,0]=3 383 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.18 NC(=O)C1CNC1 1496AC [0,1,0,1,0,0|1,0,0]=3 385 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|1,0,0]=3 387 B7R1.18 O=C(O)C1CCO1 3540AC [0,1,0,1,0,0|1,0,0]=3 388 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|1,0,1]=4 389 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,1,0,0|1,0,1]=4 390 B7R1.29 NCC1(CO)CC1 3910AE [0,1,0,1,0,0|0,0,2]=4 391 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|1,0,1]=4 392 B7R2.13 C1NCC2CC12 Z1877 [0,0,0,2,0,0|1,0,1]=4