0 B13R1.337 CC(=O)OC\C=C\c1ccccc1 M20312 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.337 O=C(O)CCCCc1ccccc1 M20840 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 M18079 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 M14175 [0,1,0,0,0,0|3,0,0]=4 4 B14R1.423 NC(=O)OC[C@H](N)CC1=CC=CC=C1 M12688 [0,1,0,0,0,0|1,0,2]=4 5 B12R1.252 O=C(O)CCCc1ccccc1 M20554 [0,0,0,0,1,0|1,0,2]=4 6 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M12616 [0,0,0,0,1,0|1,0,2]=4 7 B13R1.42 CCOC(=O)\C=C\c1ccccc1 M29141 [1,1,0,0,0,0|0,0,2]=4 8 B13R1.45 O=C(O)CNC(=O)c1ccccc1 M19608 [0,1,0,0,1,0|2,0,0]=4 9 B13R1.45 O=C(O)CNC(=O)c1ccccc1 M21613 [0,1,0,0,1,0|2,0,0]=4 10 B13R1.513 CC(=O)NCCc1ccc(O)cc1 M28125 [0,1,0,0,1,0|1,0,1]=4 11 B15R2.68122 CC(=O)OC1=C2C=CC=CC2=CC=C1 M24821 [0,0,0,1,0,1|0,0,1]=3 12 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [0,0,0,0,2,0|0,0,1]=3 13 B11R1.91 CC(=O)COc1ccccc1 M27826 [0,0,0,0,2,0|1,0,0]=3 14 B11R1.91 CC(=O)NCc1ccccc1 M22662 [0,0,0,0,2,0|1,0,0]=3 15 B11R1.91 CC(=O)OCc1ccccc1 M20248 [0,0,0,0,2,0|0,0,0]=2 16 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 M19512 [0,0,0,0,2,0|1,0,0]=3 17 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [0,0,0,0,2,0|0,0,0]=2 18 B11R1.91 NC(=O)NCc1ccccc1 M27376 [0,0,0,0,2,0|2,0,0]=4 19 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [0,0,0,0,2,0|1,0,0]=3 20 B11R1.91 O=C(O)CCc1ccccc1 M18665 [0,0,0,0,2,0|1,0,1]=4 21 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [0,0,0,0,2,0|1,0,0]=3 22 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [0,0,0,0,2,0|1,0,0]=3