0 B12R2.3180 CC(=C)C1CCC2(C(C1)O2)C CHEBI:16431 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.3180 CC(=C)[C@@H]1CCC2(C(C1)O2)C CHEBI:35672 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.3180 CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C CHEBI:35669 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.3180 CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C CHEBI:43812 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.5236 CC(=C)[C@@H]1CC2C(O2)(C(=C)C1)C CHEBI:59103 [0,1,0,0,0,0|0,0,1]=2 5 B11R1.21 C1C[C@@H]([C@@H](C[C@H]1C(=O)O)O)O CHEBI:15566 [0,0,1,0,0,0|3,0,0]=4 6 B11R1.21 C1C[C@@H]([C@@H](C[C@H]1C(=O)[O-])O)O CHEBI:57413 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.21 CC1=CCC(CC1O)C(=C)C CHEBI:23046 [0,0,1,0,0,0|0,0,2]=3 8 B11R1.21 CC1=CC[C@@H](C[C@@H]1O)C(=C)C CHEBI:232 [0,0,1,0,0,0|0,0,2]=3 9 B11R1.21 CC1=CC[C@@H](C[C@H]1O)C(=C)C CHEBI:15388 [0,0,1,0,0,0|0,0,2]=3 10 B11R1.21 CC1=CC[C@H](C[C@@H]1O)C(=C)C CHEBI:15389 [0,0,1,0,0,0|0,0,2]=3 11 B11R1.21 CC1=CC[C@H](C[C@H]1O)C(=C)C CHEBI:227 [0,0,1,0,0,0|0,0,2]=3 12 B11R1.21 CC1CCC(CC1=O)C(=C)C CHEBI:23733 [0,0,1,0,0,0|0,0,2]=3 13 B11R1.21 CC1CCC(CC1O)C(=C)C CHEBI:50215 [0,0,1,0,0,0|0,0,0]=1 14 B11R1.21 C[C@@H]1CC[C@@H](CC1=O)C(=C)C CHEBI:155 [0,0,1,0,0,0|0,0,2]=3 15 B11R1.21 C[C@@H]1CC[C@@H](C[C@@H]1O)C(=C)C CHEBI:153 [0,0,1,0,0,0|0,0,0]=1 16 B11R1.21 C[C@@H]1CC[C@@H](C[C@H]1O)C(=C)C CHEBI:150 [0,0,1,0,0,0|0,0,0]=1 17 B11R1.21 C[C@@H]1CC[C@H](CC1=C)C(=C)C CHEBI:59154 [0,0,1,0,0,0|1,0,1]=3 18 B11R1.21 C[C@@H]1CC[C@H](CC1=O)C(=C)C CHEBI:154 [0,0,1,0,0,0|0,0,2]=3 19 B11R1.21 C[C@@H]1CC[C@H](C[C@@H]1O)C(=C)C CHEBI:152 [0,0,1,0,0,0|0,0,0]=1 20 B11R1.21 C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C CHEBI:149 [0,0,1,0,0,0|0,0,0]=1 21 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(=C)C CHEBI:168 [0,0,1,0,0,0|0,0,2]=3 22 B11R1.21 C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C CHEBI:50235 [0,0,1,0,0,0|0,0,0]=1 23 B11R1.21 C[C@H]1CC[C@@H](C[C@H]1O)C(=C)C CHEBI:158 [0,0,1,0,0,0|0,0,0]=1 24 B11R1.21 C[C@H]1CC[C@H](CC1=O)C(=C)C CHEBI:166 [0,0,1,0,0,0|0,0,2]=3 25 B11R1.21 C[C@H]1CC[C@H](C[C@@H]1O)C(=C)C CHEBI:50233 [0,0,1,0,0,0|0,0,0]=1 26 B11R1.21 C[C@H]1CC[C@H](C[C@H]1O)C(=C)C CHEBI:50232 [0,0,1,0,0,0|0,0,0]=1 27 B11R1.727 CC(=C)C1CCC(CC1)(C)O CHEBI:132899 [0,0,1,0,0,0|0,0,0]=1 28 B13R3.20538 CC1(C2CC1C3(C(C2)O3)C)C CHEBI:29060 [0,0,0,1,0,0|0,0,2]=3 29 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O CHEBI:16817 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)[O-] CHEBI:57906 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.13 CC1=CCC(CC1)C(=C)C CHEBI:15384 [1,0,1,0,0,0|0,0,2]=4 32 B10R1.13 CC1=CC[C@@H](CC1)C(=C)C CHEBI:15382 [1,0,1,0,0,0|0,0,2]=4 33 B10R1.13 CC1=CC[C@H](CC1)C(=C)C CHEBI:15383 [1,0,1,0,0,0|0,0,2]=4 34 B10R1.13 CC1CCC(CC1)C(C)C CHEBI:25826 [1,0,1,0,0,0|0,0,2]=4 35 B12R1.56 CC1=CC[C@@H](CC1OO)C(=C)C CHEBI:134505 [0,1,1,0,0,0|0,0,2]=4 36 B12R1.56 CC1CC[C@H](CC1OO)C(=C)C CHEBI:59623 [0,1,1,0,0,0|0,0,0]=2 37 B12R1.1274 CC(=C)C1CCC(C(=O)C1)(C)O CHEBI:50246 [0,1,1,0,0,0|0,0,2]=4 38 B12R1.1274 CC(=C)C1CCC(C(C1)O)(C)O CHEBI:17219 [0,1,1,0,0,0|0,0,0]=2 39 B12R1.1274 CC(=C)[C@@H]1CC[C@](C(=O)C1)(C)O CHEBI:38249 [0,1,1,0,0,0|0,0,2]=4 40 B12R1.1274 CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O CHEBI:18515 [0,1,1,0,0,0|0,0,0]=2 41 B12R1.1274 CC(=C)[C@H]1CC[C@@](C(=O)C1)(C)O CHEBI:50245 [0,1,1,0,0,0|0,0,2]=4 42 B12R1.1274 CC(=C)[C@H]1CC[C@@]([C@@H](C1)O)(C)O CHEBI:50244 [0,1,1,0,0,0|0,0,0]=2 43 B12R1.892 CC1CCC(COC1=O)C(=C)C CHEBI:64229 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.892 C[C@@H]1CC[C@H](COC1=O)C(=C)C CHEBI:64230 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.892 C[C@H]1CC[C@@H](COC1=O)C(=C)C CHEBI:64232 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.892 C[C@H]1CC[C@H](COC1=O)C(=C)C CHEBI:64231 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.1218 CC1CCC(CC(=O)O1)C(=C)C CHEBI:50238 [0,1,1,0,0,0|0,0,1]=3 48 B12R1.1218 C[C@@H]1CC[C@@H](CC(=O)O1)C(=C)C CHEBI:233 [0,1,1,0,0,0|0,0,1]=3 49 B12R1.1218 C[C@@H]1CC[C@H](CC(=O)O1)C(=C)C CHEBI:228 [0,1,1,0,0,0|0,0,1]=3 50 B12R1.3825 CC(=C)[C@@H]1CCC(C=C1)(C)OO CHEBI:134498 [0,1,1,0,0,0|0,0,2]=4 51 B12R1.3825 CC(C)C1CCC(CC1)(C)OO CHEBI:59627 [0,1,1,0,0,0|0,0,2]=4 52 B10R0.65 CCC(C)(CCCC(C)C)O CHEBI:84242 [0,0,2,0,0,0|0,0,2]=4 53 B12R2.1046 C[C@H]1[C@@H]2C[C@@]2(C[C@H]1O)C(C)C CHEBI:63902 [0,0,1,1,0,0|0,0,2]=4 54 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C CHEBI:28093 [0,0,1,1,0,0|0,0,2]=4 55 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O CHEBI:15393 [0,0,1,1,0,0|0,0,2]=4 56 B12R2.2786 C[C@]12CC[C@H](C1(C)C)C[C@H]2O CHEBI:15394 [0,0,1,1,0,0|0,0,2]=4 57 B12R2.3199 CC(C)C1CCC2(CC1)CO2 CHEBI:59155 [0,0,1,1,0,0|0,0,2]=4 58 B12R2.5234 C[C@@]12OC([C@@H](CC1)CC2)(C)C CHEBI:27961 [0,0,1,1,0,0|0,0,2]=4 59 B12R2.6448 CC([C@@]12O[C@@](CC1)(CC2)C)C CHEBI:80788 [0,0,1,1,0,0|0,0,2]=4 60 B12R2.6452 CC(C)C12CCC(C1C2)(C)O CHEBI:16377 [0,0,1,1,0,0|0,0,2]=4 61 B12R3.23 C1CC2C(O2)CC1C3CO3 CHEBI:59001 [1,0,0,1,0,0|1,0,1]=4