0 B12R1.1000 CC(=N)C1=C(C=C(OC1=O)C)O CNP0074250.0 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,0,0,0,0,0|1,0,3]=4 2 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)[O-] CNP0531327.0 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.1000 CC(=O)[C@@H]1C(=O)C=C(OC1=O)C CNP0129464.2 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.1000 CC(=O)[C@H]1C(=O)C=C(OC1=O)C CNP0129464.1 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.1000 CC1=CC(=O)C(=C(C)N)C(=O)O1 CNP0353528.0 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.166 C=C(C)[C@@H]1CCC(=CC1=O)C CNP0217208.1 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.166 C=C(C)[C@H]1CCC(=CC1=O)C CNP0217208.2 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [1,0,0,0,0,0|0,0,3]=4 13 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.464 CCC1=C(C=C(OC1=O)C)O CNP0431819.0 [1,0,0,0,0,0|0,0,3]=4 15 B13R1.2814 CC(=O)[C@@H]1C(=O)C=C(CC1(C)C)C CNP0349921.1 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.11642 CC1=CC2=C(C(=CO2)C)C(=O)O1 CNP0521477.0 [0,0,0,1,0,0|1,0,2]=4 17 B11R1.673 CC(=O)C1=C(OC(C1=O)C)C CNP0337023.0 [0,0,0,0,1,0|1,0,2]=4 18 B11R1.673 CC(=O)[C@@H]1C(=O)C=C(C1=O)C CNP0363698.1 [0,0,0,0,1,0|0,0,0]=1 19 B11R1.673 CC(=O)[C@H]1C(=O)C=C(C1=O)C CNP0363698.2 [0,0,0,0,1,0|0,0,0]=1 20 B10R0.118 COC(=O)[C@@H](C(=N)C)C(=O)C CNP0058428.1 [1,0,1,0,0,0|1,0,1]=4 21 B10R0.118 COC(=O)[C@H](C(=N)C)C(=O)C CNP0058428.2 [1,0,1,0,0,0|1,0,1]=4 22 B10R1.61 NC(=O)C1C=NC=CC1=O CNP0547525.0 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [2,0,0,0,0,0|0,0,2]=4 26 B14R1.579 CCC(=O)C1=C(C=C(OC1=O)CC)O CNP0591022.0 [0,2,0,0,0,0|0,0,2]=4 27 B14R1.18811 CCCC(=O)C1=C(C=C(OC1=O)C)O CNP0200882.0 [0,2,0,0,0,0|0,0,2]=4 28 B12R1.101 CC(=O)OC1=CC(=O)OC(=C1)C CNP0194677.0 [0,0,1,1,0,0|2,0,0]=4 29 B14R2.8235 CC1=CC(=O)C2=C(O1)CCC(=O)O2 CNP0414572.0 [0,0,0,1,0,1|1,0,1]=4 30 B10R0.76 C=C[C@@H](C(=C)C)C(=O)C(=C)C CNP0192228.2 [0,0,1,0,1,0|2,0,0]=4 31 B10R0.76 C=C[C@H](C(=C)C)C(=O)C(=C)C CNP0192228.1 [0,0,1,0,1,0|2,0,0]=4 32 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [1,0,0,0,1,0|1,0,1]=4