0 B12R2.2786 CC1(C2CCC1(C(=O)C2)C)C CHEBI:36773 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C CHEBI:28093 [0,0,0,0,0,0|0,0,2]=2 2 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)CC2=O CHEBI:15396 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O CHEBI:15393 [0,0,0,0,0,0|0,0,2]=2 4 B12R2.2786 C[C@]12CC[C@H](C1(C)C)CC2=O CHEBI:15397 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.2786 C[C@]12CC[C@H](C1(C)C)C[C@H]2O CHEBI:15394 [0,0,0,0,0,0|0,0,2]=2 6 B11R2.2357 CC1(C2CCC1(CC2)C)C CHEBI:35783 [1,0,0,0,0,0|0,0,1]=2 7 B11R2.2357 C[C@@]12C([C@@H](CC1)CC2)(C)C CHEBI:41341 [1,0,0,0,0,0|0,0,1]=2 8 B13R2.11579 C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C)O CHEBI:61987 [0,1,0,0,0,0|0,0,2]=3 9 B13R2.12951 CC1(C2CC(=O)C1(C(=O)C2)C)C CHEBI:64893 [0,1,0,0,0,0|0,0,1]=2 10 B13R2.12951 CC1(C2CC(C1(C(=O)C2)C)O)C CHEBI:64814 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.12951 C[C@@]12[C@@H](C[C@@H](C1(C)C)CC2=O)O CHEBI:64787 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.12951 C[C@@]12[C@H](C[C@@H](C1(C)C)CC2=O)O CHEBI:64786 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.13409 CC1(C2CC(=O)C1(CC2=O)C)C CHEBI:36775 [0,1,0,0,0,0|0,0,1]=2 14 B13R2.13409 CC1(C2CC(=O)C1(CC2O)C)C CHEBI:20570 [0,1,0,0,0,0|0,0,0]=1 15 B13R2.13409 C[C@@]12CC(=O)[C@@H](C1(C)C)CC2=O CHEBI:15392 [0,1,0,0,0,0|0,0,1]=2 16 B13R2.13409 C[C@@]12C[C@H]([C@@H](C1(C)C)CC2=O)O CHEBI:15398 [0,1,0,0,0,0|0,0,0]=1 17 B13R2.13409 C[C@]12CC(=O)[C@H](C1(C)C)CC2=O CHEBI:36776 [0,1,0,0,0,0|0,0,1]=2 18 B13R2.16542 CC1(C2CCC1(C(=O)C2=O)C)C CHEBI:34607 [0,1,0,0,0,0|0,0,1]=2 19 B13R2.16542 C[C@@]12CC[C@@H](C1(C)C)C(=O)C2=O CHEBI:36778 [0,1,0,0,0,0|0,0,1]=2 20 B13R2.16542 C[C@]12CC[C@H](C1(C)C)C(=O)C2=O CHEBI:36777 [0,1,0,0,0,0|0,0,1]=2 21 B11R1.21 CC1=CC[C@H](CC1=O)C(C)C CHEBI:61551 [0,0,1,0,0,0|0,0,2]=3 22 B11R1.21 CC1CCC(CC1=O)C(=C)C CHEBI:23733 [0,0,1,0,0,0|0,0,2]=3 23 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 24 B11R1.21 C[C@@H]1CC[C@H](CC1=C)C(=C)C CHEBI:59154 [0,0,1,0,0,0|1,0,2]=4 25 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 26 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 27 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 28 B11R1.126 CC1=CCC(C1(C)C)CC=O CHEBI:48697 [0,0,1,0,0,0|0,0,2]=3 29 B11R1.126 CC1=CC[C@@H](C1(C)C)CC=O CHEBI:49150 [0,0,1,0,0,0|0,0,2]=3 30 B13R2.10768 C[C@@]12CC[C@@H](CC1=O)C(O2)(C)C CHEBI:16123 [0,0,0,0,0,1|0,0,0]=1 31 B13R2.10768 C[C@@]12CC[C@@H](C[C@@H]1O)C(O2)(C)C CHEBI:16271 [0,0,0,0,0,1|0,0,2]=3 32 B13R2.10768 C[C@@]12CC[C@@H](C[C@H]1O)C(O2)(C)C CHEBI:35811 [0,0,0,0,0,1|0,0,2]=3 33 B13R2.10846 CC1(C2CCC1(OC(=O)C2)C)C CHEBI:488 [0,0,0,0,0,1|0,0,0]=1 34 B13R2.10846 C[C@@]12CC[C@@H](C1(C)C)CC(=O)O2 CHEBI:50360 [0,0,0,0,0,1|0,0,0]=1 35 B10R1.13 CC1=CCC(CC1)C(C)C CHEBI:134312 [1,0,1,0,0,0|0,0,1]=3 36 B10R1.13 CC1=CC[C@H](CC1)C(C)C CHEBI:134313 [1,0,1,0,0,0|0,0,1]=3 37 B10R1.13 CC1CCC(CC1)C(C)C CHEBI:25826 [1,0,1,0,0,0|0,0,1]=3 38 B10R1.13 C[C@@H]1CC[C@H](C=C1)C(C)C CHEBI:59157 [1,0,1,0,0,0|0,0,1]=3 39 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C CHEBI:44813 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[O-])C CHEBI:35280 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.1274 CC(=C)C1CCC(C(=O)C1)(C)O CHEBI:50246 [0,1,1,0,0,0|0,0,2]=4 42 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 43 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 44 B14R2.80483 CC1(C2CC(=O)OC1(CC2=O)C)C CHEBI:66953 [0,1,0,0,0,1|0,0,1]=3 45 B14R2.80483 C[C@@]12CC(=O)[C@@H](C1(C)C)CC(=O)O2 CHEBI:18130 [0,1,0,0,0,1|0,0,1]=3 46 B14R2.80483 C[C@]12CC(=O)[C@H](C1(C)C)CC(=O)O2 CHEBI:66896 [0,1,0,0,0,1|0,0,1]=3 47 B14R2.27073 C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC=O CHEBI:132828 [0,2,0,0,0,0|0,0,1]=3 48 B12R2.1046 CC(C)[C@@]12C[C@@H]1C(=C)C(=O)C2 CHEBI:15403 [0,0,1,1,0,0|0,0,2]=4 49 B12R2.1046 CC1C2CC2(CC1=O)C(C)C CHEBI:50040 [0,0,1,1,0,0|0,0,0]=2 50 B12R2.1046 C[C@@H]1[C@@H]2C[C@@]2(CC1=O)C(C)C CHEBI:50046 [0,0,1,1,0,0|0,0,0]=2 51 B12R2.1046 C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C CHEBI:9577 [0,0,1,1,0,0|0,0,0]=2 52 B12R2.1046 C[C@H]1[C@@H]2C[C@@]2(CC1=O)C(C)C CHEBI:50043 [0,0,1,1,0,0|0,0,0]=2 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 B12R2.1046 C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C CHEBI:50045 [0,0,1,1,0,0|0,0,0]=2 55 B12R2.2863 CC1(C2CC1C(=C)C(=O)C2)C CHEBI:28996 [0,0,1,1,0,0|0,0,2]=4 56 B12R3.4045 CC1(C2CC3C1(C3C2)C)C CHEBI:64266 [1,0,0,1,0,0|0,0,1]=3 57 B12R1.892 CC1CCC(COC1=O)C(=C)C CHEBI:64229 [0,0,1,0,0,1|0,0,2]=4 58 B12R1.892 C[C@@H]1CC[C@H](COC1=O)C(=C)C CHEBI:64230 [0,0,1,0,0,1|0,0,2]=4 59 B12R1.892 C[C@H]1CC[C@@H](COC1=O)C(=C)C CHEBI:64232 [0,0,1,0,0,1|0,0,2]=4 60 B12R1.892 C[C@H]1CC[C@H](COC1=O)C(=C)C CHEBI:64231 [0,0,1,0,0,1|0,0,2]=4 61 B12R1.1218 CC1CCC(CC(=O)O1)C(=C)C CHEBI:50238 [0,0,1,0,0,1|0,0,2]=4 62 B12R1.1218 CC1CCC(OC(=O)C1)C(C)C CHEBI:50243 [0,0,1,0,0,1|1,0,0]=3 63 B12R1.1218 C[C@@H]1CC[C@@H](CC(=O)O1)C(=C)C CHEBI:233 [0,0,1,0,0,1|0,0,2]=4 64 B12R1.1218 C[C@@H]1CC[C@@H](OC(=O)C1)C(C)C CHEBI:50251 [0,0,1,0,0,1|1,0,0]=3 65 B12R1.1218 C[C@@H]1CC[C@H](CC(=O)O1)C(=C)C CHEBI:228 [0,0,1,0,0,1|0,0,2]=4 66 B12R1.1218 C[C@@H]1CC[C@H](OC(=O)C1)C(C)C CHEBI:50250 [0,0,1,0,0,1|1,0,0]=3 67 B12R2.5234 C[C@@]12OC([C@@H](CC1)CC2)(C)C CHEBI:27961 [1,0,0,0,0,1|0,0,1]=3 68 B14R2.22542 CC1(C2CCC(O1)(OC(=O)C2)C)C CHEBI:29064 [0,0,0,0,0,2|0,0,0]=2