0 B13R2.10 NC1=NC=C(S1)C2=CC=CC=C2 AC180350 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.10 NC1=NN(N=C1)C2=CC=CC=C2 AC200071 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.10 O=C1N[C@H](CO1)C2=CC=CC=C2 AC180468 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.2 C1CC(CN1)C2=CC=CC=C2 AC181320 [1,0,0,0,0,0|2,0,1]=4 4 B14R2.22 NC1=NC(=CS1)C2=CC(Br)=CC=C2 AC180814 [0,1,0,0,0,0|0,1,2]=4 5 B14R2.256 CC1=C(C=CC=C1)C2=CSC(N)=N2 AC181475 [0,1,0,0,0,0|0,1,2]=4 6 B14R2.256 NC1=NC(=CS1)C2=CC=CC=C2Cl AC181205 [0,1,0,0,0,0|0,1,2]=4 7 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC511452 [0,0,1,0,0,0|2,0,0]=3 8 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O LN00173205 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 AC021707 [0,0,1,0,0,0|0,0,2]=3 10 B12R1.107 NC(CC(O)=O)C1=CC=CC=C1 AC180223 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 AC181187 [0,0,1,0,0,0|3,0,0]=4 12 B12R1.252 OC(=O)CCCC1=CC=CC=C1 AC180078 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.252 [O-]C(=O)CCCC1=CC=CC=C1 HY-15654 [0,0,1,0,0,0|3,0,0]=4 14 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC510621 [0,0,0,0,0,1|1,0,1]=3 15 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AC051188 [0,0,0,0,0,1|1,0,1]=3 16 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 AC182770 [0,0,0,0,0,1|1,0,1]=3 17 B14R2.68 NC1=NC=C(C=C1)C2=CC=CC=C2 AC181303 [0,0,0,0,0,1|1,0,2]=4 18 B14R2.68 O=C1CCC(CC1)C2=CC=CC=C2 AC500119 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.12 OCC(CO)C1=CC=CC=C1 AC511844 [1,0,1,0,0,0|1,0,1]=4 20 B11R1.91 C1=CC=C(C=C1)CCC(=N)O LN01357216 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.91 NC(=O)OCC1=CC=CC=C1 AC511867 [1,0,1,0,0,0|1,0,1]=4 22 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 AC182529 [0,1,1,0,0,0|2,0,0]=4 23 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br LN00174279 [0,1,1,0,0,0|2,0,0]=4 24 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 AC511735 [0,1,1,0,0,0|2,0,0]=4 25 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 AC180236 [0,1,1,0,0,0|2,0,0]=4 26 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 AC511494 [0,1,1,0,0,0|2,0,0]=4 27 B13R1.528 COC(=O)CCC1=CC=CC=C1Br LN00221618 [0,1,1,0,0,0|2,0,0]=4 28 B13R2.147 FC1=CC=C(C=C1)C2CC(=O)N2 AC040120 [0,1,0,0,1,0|1,0,1]=4 29 B15R2.98 NC1=CC=C(CC2COC(=O)N2)C=C1 AC181613 [0,1,0,0,0,1|1,0,1]=4 30 B13R2.163 O=C1CCCC2=CC=CC=C2N1 AC180378 [0,0,1,1,0,0|2,0,0]=4 31 B11R1.40 COC(=O)CC1=CC=CC=C1 AC500158 [0,0,1,0,1,0|1,0,0]=3 32 B11R1.40 COC(=O)CC1=CN=CC=C1 LN00214372 [0,0,1,0,1,0|2,0,0]=4 33 B11R1.36 C1=CC=C(C=C1)[C@H](C(=N)O)N LN00176320 [0,0,1,0,1,0|1,0,1]=4 34 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 AC510790 [0,0,1,0,1,0|1,0,0]=3 35 B11R1.36 C[C@@H](C(O)=O)C1=CC=CC=C1 AC190251 [0,0,1,0,1,0|1,0,0]=3 36 B11R1.36 C[C@H](C(O)=O)C1=CC=CC=C1 AC180569 [0,0,1,0,1,0|1,0,0]=3 37 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 AC180081 [0,0,1,0,1,0|2,0,0]=4 38 B11R2.4 C1=CC=C(C=C1)[C@@H]2C[C@H]2N LN00342917 [0,0,0,0,2,0|0,0,1]=3 39 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,0,2,0|0,0,1]=3