0 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [0,0,0,0,0,0|0,0,1]=1 1 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [0,0,0,0,0,0|0,0,1]=1 2 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O S5618 [0,1,0,0,0,0|1,0,1]=3 4 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O S9466 [0,1,0,0,0,0|1,0,1]=3 5 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 S5520 [0,0,0,1,0,0|2,0,0]=3 6 B13R2.72 C1=CC=C2C(=C1)C(=CN2)C(=O)O S4860 [0,0,0,1,0,0|1,0,2]=4 7 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O S3677 [0,0,0,0,1,0|0,0,2]=3 8 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [0,0,0,0,1,0|0,0,0]=1 9 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [0,0,0,0,1,0|1,0,0]=2 10 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O S3978 [0,0,0,0,0,1|0,0,3]=4 12 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O S6096 [0,0,0,0,0,1|0,0,0]=1 13 B13R1.337 C1=CC=NC(=C1)SSCCC(=O)O S1597 [0,0,0,0,0,1|2,0,0]=3 14 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 S5583 [0,0,0,0,0,1|1,0,2]=4 15 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [2,0,0,0,0,0|0,0,2]=4 16 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [2,0,0,0,0,0|0,0,2]=4 17 B12R1.30 CCCCC(C1=CC=CC=C1)O S5702 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S4759 [0,1,0,0,1,0|0,0,2]=4 19 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S9564 [0,1,0,0,1,0|0,0,2]=4 20 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [0,1,0,0,1,0|0,0,0]=2 21 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,1,0,0,1,0|1,0,0]=3 22 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [0,1,0,0,1,0|0,0,1]=3 23 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N S4153 [0,1,0,0,1,0|0,0,0]=2 24 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6271 [0,1,0,0,1,0|0,0,0]=2 25 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6326 [0,1,0,0,1,0|0,0,0]=2 26 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O S5586 [0,1,0,0,1,0|0,0,2]=4 27 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O S6074 [0,1,0,0,1,0|0,0,0]=2 28 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O S4191 [0,1,0,0,0,1|0,0,1]=3 29 B14R1.423 C1=CC=C(C=C1)CC(=O)NCC(=O)O S6051 [0,1,0,0,0,1|0,0,1]=3 30 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)O)N S2883 [0,2,0,0,0,0|1,0,1]=4 31 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)O)N S2883 [0,2,0,0,0,0|1,0,1]=4 32 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O S3848 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O S3848 [0,2,0,0,0,0|2,0,0]=4 34 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,0,0,1,1,0|0,0,2]=4 35 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,0,0,1,1,0|0,0,0]=2 36 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O S4799 [0,0,0,1,0,1|0,0,2]=4 37 B14R2.4514 CN1C(CCC1=O)C2=CN=CC=C2 S9339 [0,1,0,1,0,0|2,0,0]=4 38 B14R2.4514 CN1C(CCC1=O)C2=CN=CC=C2 S9339 [0,1,0,1,0,0|2,0,0]=4