0 B14R1.686 CC1=C(Cl)C=CC(OC(C)C(=O)O)=C1 BBL017564 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.686 CC1=CC=C(OC(C)C(=O)O)C=C1C BBL009362 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(=O)O BBL010087 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 NC1=C(O)C=CC(CC(N)C(=O)O)=C1 BBL028235 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O BBL016386 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O BBL002029 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BBL004012 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 BBL000599 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O BBL027391 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O BBL007890 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O BBL013633 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.148 CC1=CC=CC(OC(C)C(=O)O)=C1 BBL002687 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br BBL023735 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl BBL014307 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C BBL013883 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 BBL027403 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.511 O=C(O)COC1=CC(Cl)=C(F)C=C1 BBL013386 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 BBL012113 [1,0,0,0,0,0|0,0,2]=3 18 B15R1.5521 COC(=O)C(N)CC1=CC=C(O)C(O)=C1 BBL037323 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BBL013866 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBL007585 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBL000180 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O BBL036665 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBL007979 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 BBL002631 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 BBL017173 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [2,0,0,0,0,0|0,0,2]=4 38 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BBL002689 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.75 COC1=CC=CC(OC(C)C(=O)O)=C1 BBL009419 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O BBL010345 [1,1,0,0,0,0|0,0,2]=4 41 B14R1.685 NC(CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 BBL008177 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.685 NC(CC(=O)O)C1=CC=C(F)C(Br)=C1 BBL029831 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.833 NNC(=O)CCC1=CC=C(O)C(O)=C1 BBL017860 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 BBL025675 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 BBL036268 [1,1,0,0,0,0|0,0,2]=4 46 B14R1.41 COC1=CC(C(N)C(=O)O)=CC=C1O BBL008186 [0,1,0,0,1,0|0,0,0]=2 47 B14R1.3652 COC1=C(Cl)C=C(C(N)C(=O)O)C=C1 BBL008187 [0,1,0,0,1,0|1,0,0]=3 48 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C BBL022175 [0,1,0,0,1,0|1,0,0]=3 49 B16R1.94545 CC(CC1=CC(O)=C(O)C=C1)(NN)C(=O)O BBL011329 [0,2,0,0,0,0|0,0,0]=2 50 B16R1.1058 NC(CC1=CC=C(O)C([N+](=O)[O-])=C1)C(=O)O BBL028118 [0,2,0,0,0,0|0,0,1]=3 51 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BBL038142 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BBL038246 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 BBL036425 [1,0,0,1,0,0|0,0,2]=4 54 B16R2.6257 CC(OC1=CC=C2OCOC2=C1)C(=O)O BBL014124 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 BBL032160 [1,0,0,0,1,0|1,0,0]=3 56 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BBL022181 [1,0,0,0,1,0|1,0,0]=3 57 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 BBL014416 [1,0,0,0,1,0|0,0,0]=2 58 B14R1.687 O=C(O)CSCC1=CC=C(Cl)C(Cl)=C1 BBL002106 [1,0,0,0,0,1|2,0,0]=4