0 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 OR302167 [0,0,0,0,0,0|2,1,0]=3 1 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 OR14482 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 OR350225 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.3 COC1=CC=C(\C=C\B(O)O)C=C1 OR360263 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 OR470100 [1,0,0,0,0,0|1,1,1]=4 5 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O PC4149 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O PC6759 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O PC0660 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 PC510275 [1,0,0,0,0,0|1,0,2]=4 9 B15R1.219 COC1=CC=C(CC(=O)C(F)(F)F)C=C1 PC32341 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.1855 COC1=CC(F)=C(CC(N)C(=O)O)C=C1 PC302455 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.3777 COC1=CC=C(CC(N)C(=O)O)C=C1F PC302142 [0,1,0,0,0,0|1,0,1]=3 12 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 OR300659 [0,0,0,1,0,0|1,0,1]=3 13 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 OR10205 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.4834 COC1=CC=C2C=C(C(=O)O)SC2=C1 OR305047 [0,0,0,1,0,0|0,1,1]=3 15 B15R2.4834 COC1=CC=C2N=C(C(N)=O)SC2=C1 OR302168 [0,0,0,1,0,0|2,1,0]=4 16 B15R2.4834 COC1=CC=C2SC(C(=O)O)=CC2=C1 OR305046 [0,0,0,1,0,0|2,0,0]=3 17 B15R2.4834 COC1=CC=C2SC(C(=O)O)=NC2=N1 OR300295 [0,0,0,1,0,0|3,0,0]=4 18 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 OR4792 [0,0,0,0,1,0|0,0,2]=3 19 B13R1.36 COC1=CC=C([C@@H](N)C(N)=O)C=C1 OR316049 [0,0,0,0,1,0|2,0,1]=4 20 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 OR5358 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.21 CC(=O)\C=C\C1=CC=C(C)C=C1 OR300904 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 OR21362 [2,0,0,0,0,0|0,0,1]=3 23 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 PC4174G [2,0,0,0,0,0|1,0,1]=4 24 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 PC3732 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 OR311057 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 OR4684 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 OR470476 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O OR1961 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 OR322015 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC3729 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC8812 [2,0,0,0,0,0|1,0,1]=4 32 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 OR350131 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1F PC510235 [1,1,0,0,0,0|0,0,1]=3 34 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F PC302055 [1,1,0,0,0,0|0,0,1]=3 35 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 OR21463 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.536 N#CC(CC1=CC=C(O)C=C1)C(=O)O OR470737 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.686 CC1=CC=C(CC(N)C(=O)O)C=C1F PC302552 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O PC4379 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O PC4378 [1,1,0,0,0,0|1,0,1]=4 40 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O BII0193 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O OR322045 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.6049 CC1=CC(F)=C(CC(N)C(=O)O)C=C1 PC302133 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.6049 NC(CC1=C(F)C=C(O)C=C1)C(=O)O PC6380 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.213 COC1=CC=C(C(F)(F)C(=O)O)C=C1 PC510343 [0,1,0,0,1,0|1,0,1]=4 45 B16R1.213 COC1=CC=C(C(=O)CC(C)C(=O)O)C=C1 OR307053 [0,1,0,0,0,1|1,0,1]=4 46 B16R1.225 COC1=CC=C(C(F)(F)C(N)C(=O)O)C=C1 PC1022 [0,2,0,0,0,0|1,0,1]=4 47 B16R1.225 COC1=CC=C(C(F)(F)C(O)C(=O)O)C=C1 PC1223 [0,2,0,0,0,0|0,0,2]=4 48 B16R1.20118 COC1=CC=C(CC(N)C(=O)O)C(F)=C1F PC302431 [0,2,0,0,0,0|1,0,1]=4 49 B16R1.36328 COC1=C(F)C=C(CC(N)C(=O)O)C=C1Cl PC302539 [0,2,0,0,0,0|1,0,1]=4 50 B16R1.36328 COC1=C(F)C=C(CC(N)C(=O)O)C=C1F PC302494 [0,2,0,0,0,0|1,0,1]=4 51 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 OR1892 [1,0,0,1,0,0|0,0,1]=3 52 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 OR9101 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.3304 COC1=CC2=C(C=C1)NC(C=O)=C2 OR314055 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2O1 OR470478 [1,0,0,1,0,0|0,0,2]=4 55 B16R2.50 COC1=CC=C(C2NC(=O)NC2=O)C=C1 OR470423 [0,0,0,1,0,1|1,0,0]=3 56 B16R2.7527 COC1=CC=C2OC(C)=C(C(=O)O)C2=C1 OR307000 [0,0,0,1,0,1|2,0,0]=4 57 B16R2.7476 COC1=CC=C2C=NC(C(=O)O)=CC2=C1 OR300128 [0,0,0,1,0,1|1,0,1]=4 58 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 OR346106 [0,1,0,1,0,0|1,0,1]=4 59 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2O1 OR322991 [0,1,0,1,0,0|0,0,2]=4 60 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2S1 OR322960 [0,1,0,1,0,0|0,1,1]=4 61 B16R2.7604 COC(=O)C1CC2=CC=C(OC)C=C2O1 OR471064 [0,1,0,1,0,0|0,0,2]=4 62 B16R2.37660 COC1=CC=C2C=C(C#N)C(=O)OC2=C1 OR345581 [0,1,0,1,0,0|1,0,1]=4 63 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 OR350244 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.5 COC1=CC=C(C(=O)CF)C=C1 PC7609 [1,0,0,0,1,0|1,0,1]=4 65 B12R1.5 COC1=CC=C(C(=O)ON)C=C1 OR310324 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 OR300737 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 OR304083 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 OR304084 [1,0,0,0,1,0|1,0,1]=4 69 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 OR200082 [1,0,0,0,0,1|1,0,1]=4 70 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 OR470107 [1,0,0,0,0,1|0,1,1]=4