0 B13R1.718 COC(=O)CCCC1=CC=CC=C1 AC050449 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.252 C[C@@H](COCC1=CC=CC=C1)O LN01358023 [1,0,0,0,0,0|1,0,2]=4 2 B12R1.252 OC(=O)CCCC1=CC=CC=C1 AC180078 [1,0,0,0,0,0|0,0,0]=1 3 B12R1.252 OC(=O)CCOC1=CC=CC=C1 AC190256 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.252 OC(=O)COCC1=CC=CC=C1 AC180997 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.252 [O-]C(=O)CCCC1=CC=CC=C1 HY-15654 [1,0,0,0,0,0|0,0,1]=2 6 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 AC240040 [0,1,0,0,0,0|2,0,0]=3 7 B14R1.520 ClCCC(=O)NCCC1=CC=CC=C1 HY-B1097 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 AC180097 [0,0,0,1,0,0|2,0,0]=3 9 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC510621 [0,0,0,1,0,0|1,0,0]=2 10 B14R2.68 CN1CCC(CC1)C2=CC=CC=C2 AC160547 [0,0,0,1,0,0|3,0,0]=4 11 B14R2.68 O=C1CCC(CC1)C2=CC=CC=C2 AC500119 [0,0,0,1,0,0|1,0,0]=2 12 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 AC190183 [0,0,0,1,0,0|1,0,2]=4 13 B14R2.4514 CN1[C@@H](CCC1=O)C2=CC=CN=C2 HY-B1178 [0,0,0,1,0,0|2,0,0]=3 14 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC511452 [0,0,0,0,1,0|0,0,0]=1 15 B12R1.27 OCC(=O)OCC1=CC=CC=C1 AC510721 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.28 OCCOCC1=CC=CC=C1 AC511762 [2,0,0,0,0,0|1,0,1]=4 17 B13R1.45 OC(=O)CCC(=O)C1=CC=CC=C1 AC180051 [1,1,0,0,0,0|0,0,1]=3 18 B13R1.348 C1=CC=C(C=C1)C[C@@H](CC(=O)O)N LN02177509 [1,1,0,0,0,0|0,0,0]=2 19 B13R1.351 CC(OCC1=CC=CC=C1)C(O)=O AC020861 [1,1,0,0,0,0|1,0,0]=3 20 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(O)=O AC020800 [1,1,0,0,0,0|1,0,0]=3 21 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(O)=O AC021695 [1,1,0,0,0,0|0,0,0]=2 22 B13R1.513 CC1=CC=C(CCCC(O)=O)C=C1 AC180349 [1,1,0,0,0,0|0,0,0]=2 23 B13R1.14 BrCC(=O)CCC1=CC=C(I)C=C1 AC210020 [0,1,0,0,1,0|2,0,0]=4 24 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 AC182529 [0,1,0,0,1,0|0,0,0]=2 25 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br LN00174279 [0,1,0,0,1,0|0,0,0]=2 26 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 AC511735 [0,1,0,0,1,0|0,0,0]=2 27 B13R1.15 COC(=O)\C=C\C1=CC(=CC=C1)N LN02202613 [0,1,0,0,1,0|0,0,2]=4 28 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 AC511494 [0,1,0,0,1,0|0,0,0]=2 29 B13R1.528 COC(=O)CCC1=CC=CC=C1Br LN00221618 [0,1,0,0,1,0|0,0,0]=2 30 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 AC512091 [0,2,0,0,0,0|0,0,1]=3 31 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 AC180852 [0,2,0,0,0,0|0,0,0]=2 32 B15R1.1370 COC(=O)C(CO)NCC1=CC=CC=C1 AC182778 [0,2,0,0,0,0|1,0,0]=3 33 B13R2.3 C1CC(CCN1)C2=CC=CC=C2 AC160005 [1,0,0,1,0,0|2,0,0]=4 34 B13R2.3 C1CC(CCN1)C2=CC=CC=C2 AC180123 [1,0,0,1,0,0|2,0,0]=4 35 B13R2.64 C(N1CC=CC1)C2=CC=CC=C2 AC160514 [1,0,0,1,0,0|2,0,0]=4 36 B13R2.2382 C1=CC=C(C=C1)COC[C@@H]2CO2 LN00010942 [1,0,0,1,0,0|1,0,1]=4 37 B13R2.10 C1=CC=C(C=C1)C2=NCC(=O)O2 LN01808811 [1,0,0,1,0,0|1,0,1]=4 38 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 AC180468 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.163 O=C1CC2=CC=CC=C2CCN1 AC040215 [1,0,0,1,0,0|1,0,0]=3 40 B13R2.163 O=C1CCCC2=CC=CC=C2N1 AC180378 [1,0,0,1,0,0|1,0,0]=3 41 B13R2.163 O=C1CCNC2=CC=CC=C2N1 AC060045 [1,0,0,1,0,0|2,0,0]=4 42 B15R2.29 BrC1=CCN(CC2=CC=CC=C2)CC1 AC160301 [0,0,0,1,0,1|2,0,0]=4 43 B15R2.29 C1=CC=C(C=C1)CN2CC=C(CC2)Br LN00172597 [0,0,0,1,0,1|2,0,0]=4 44 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 AC181922 [0,0,0,1,0,1|2,0,0]=4 45 B15R2.3 OC1=CC=C(C=C1)C2CCC(=O)CC2 AC180883 [0,1,0,1,0,0|1,0,0]=3 46 B15R2.98 NC1=CC=C(CC2COC(=O)N2)C=C1 AC181613 [0,1,0,1,0,0|1,0,0]=3 47 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 AC170105 [0,1,0,1,0,0|1,0,0]=3 48 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [1,0,0,0,1,0|1,0,0]=3 49 B11R1.91 CC(=O)C#CC1=CC=CC=C1 AC270040 [1,0,0,0,1,0|0,0,2]=4 50 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [1,0,0,0,1,0|2,0,0]=4 51 B11R1.91 OB(O)CCC1=CC=CC=C1 AC090136 [1,0,0,0,1,0|1,0,1]=4 52 B11R1.91 OC(=O)C#CC1=CC=CC=C1 AC500012 [1,0,0,0,1,0|0,0,2]=4 53 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,0,0,0,2,0|0,0,0]=2 54 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,0,0,0,2,0|1,0,0]=3 55 B11R1.40 COC(=O)CC1=NC=CN=C1 AC051082 [0,0,0,0,2,0|2,0,0]=4