0  B13R2.573  COC1=CC=CC2=C1C=CN2C OR8547 [1,0,0,0,0,0|2,0,0]=3
1  B13R2.573  COC1=NC=CC2=C1NC=C2I OR300187 [1,0,0,0,0,0|3,0,0]=4
2  B13R2.581  COC1=C2N=C(N)SC2=CC=C1 OR21286 [1,0,0,0,0,0|2,0,1]=4
3  B13R2.581  N#CC1=CC=CC2=C1NC(=O)C2 OR10428 [1,0,0,0,0,0|3,0,0]=4
4  B13R2.4825  CC1=C2NC(=O)C(=O)C2=CC=C1 OR30519 [1,0,0,0,0,0|1,0,1]=3
5  B13R2.4825  CN1C(=O)CC2=C1C=CC=C2Br OR30753 [1,0,0,0,0,0|3,0,0]=4
6  B13R2.4825  O=C1NC2=C(Br)C=CC=C2C1=O OR14358 [1,0,0,0,0,0|2,0,1]=4
7  B12R1.440  COC1=C(N)C(C(=O)O)=CC=C1 OR59444 [1,0,1,0,0,0|1,0,0]=3
8  B12R1.440  COC1=CC=CC(C(=O)O)=C1Br OR400074 [1,0,1,0,0,0|2,0,0]=4
9  B12R1.440  COC1=CC=CC(C(=O)O)=C1C OR52333 [1,0,1,0,0,0|2,0,0]=4
10  B12R1.75  CCC1=C(NC(C)=O)C=CC=C1 OR4392 [1,0,1,0,0,0|2,0,0]=4
11  B12R1.75  COC1=C(CC(=O)O)C=CC=C1 OR6815 [1,0,1,0,0,0|1,0,0]=3
12  B12R1.75  COC1=C(CC(C)=O)C=CC=C1 OR6563 [1,0,1,0,0,0|2,0,0]=4
13  B12R1.75  COC1=CC=CC=C1NC(N)=S OR5634 [1,0,1,0,0,0|0,1,0]=3
14  B12R1.75  CSC1=CC=CC=C1NC(C)=O OR41169 [1,0,1,0,0,0|1,1,0]=4
15  B12R1.438  COC1=CC=CC(CC(=O)O)=C1 OR6816 [1,0,1,0,0,0|2,0,0]=4
16  B12R1.438  COC1=CC=CC(NC(N)=O)=C1 OR14387 [1,0,1,0,0,0|0,0,0]=2
17  B12R1.1879  COC1=CC=CC(OC)=C1C=O OR24023 [1,0,1,0,0,0|2,0,0]=4
18  B12R2.315  COC1=C2C=CNC2=NC=C1 OR30653 [2,0,0,0,0,0|2,0,0]=4
19  B12R2.315  COC1=C2NC=CC2=CC=N1 OR3130 [2,0,0,0,0,0|2,0,0]=4
20  B12R2.315  COC1=C2NN=CC2=CC=C1 OR110413 [2,0,0,0,0,0|2,0,0]=4
21  B12R2.315  COC1=CC=CC2=C1C=CN2 OR4545 [2,0,0,0,0,0|1,0,0]=3
22  B12R2.315  COC1=CC=CC2=C1NC=C2 OR1441 [2,0,0,0,0,0|1,0,0]=3
23  B12R2.202  CC1=CC=CC2=C1NC(=O)N2 OR200060 [2,0,0,0,0,0|0,0,0]=2
24  B12R2.202  NC1=C2OC(=O)NC2=CC=C1 OR41138 [2,0,0,0,0,0|2,0,0]=4
25  B12R2.202  O=C1CC2=C(Br)C=CC=C2N1 OR1230 [2,0,0,0,0,0|2,0,0]=4
26  B12R2.202  O=C1CC2=C(C=CC=C2Cl)N1 OR2754 [2,0,0,0,0,0|2,0,0]=4
27  B12R2.202  O=C1CC2=C(N1)C(Cl)=CC=C2 OR5622 [2,0,0,0,0,0|2,0,0]=4
28  B12R2.202  O=C1CC2=CC=CC(Br)=C2N1 OR10385 [2,0,0,0,0,0|2,0,0]=4
29  B12R2.202  O=C1NC2=C(O1)C(Cl)=CC=C2 OR400450 [2,0,0,0,0,0|2,0,0]=4
30  B12R2.18  CC1C(=O)NC2=C1C=CC=C2 OR53155 [2,0,0,0,0,0|2,0,0]=4
31  B12R2.18  CN1C(=O)CC2=C1C=CC=C2 OR27652 [2,0,0,0,0,0|2,0,0]=4
32  B12R2.18  CN1C(=O)NC2=C1C=CC=C2 OR60004 [2,0,0,0,0,0|1,0,0]=3
33  B12R2.18  CN1C(=O)OC2=C1C=CC=C2 OR5097 [2,0,0,0,0,0|2,0,0]=4
34  B12R2.18  O=C1NC2=CC=CC=C2C1=O OR53066 [2,0,0,0,0,0|1,0,1]=4
35  B14R1.3135  COC1=CC=CC=C1NC(=S)C(=O)O OR61298 [0,1,1,0,0,0|1,1,0]=4
36  B14R1.3279  COC1=C(NC(=O)CCl)C=C(C)C=C1 OR27600 [0,1,1,0,0,0|2,0,0]=4
37  B14R2.8620  CC1=C2NC(=O)C(=O)C2=C(Br)C=C1 OR30468 [1,1,0,0,0,0|1,0,1]=4
38  B14R2.3274  COC1=CC=C2NC(=O)C(=O)C2=C1 OR19586 [0,0,1,1,0,0|1,0,1]=4
39  B14R2.11689  COC1=CC=CC2=C1C(C=O)=NN2 OR305077 [0,0,1,1,0,0|2,0,0]=4
40  B12R1.77  COC1=C(C(=O)CBr)C=CC=C1 OR4557 [0,0,1,0,1,0|2,0,0]=4
41  B12R1.77  COC1=C(C(=O)NN)C=CC=N1 OR303620 [0,0,1,0,1,0|2,0,0]=4
42  B12R1.77  COC1=CC=CC=C1C(=O)NN OR27604 [0,0,1,0,1,0|1,0,0]=3
43  B12R1.77  CSC1=CC=CC=C1C(=O)NN OR15457 [0,0,1,0,1,0|1,1,0]=4
44  B14R2.1073  COC1=CC=CC2=NC(O)=CC=C12 OR55141 [1,0,0,0,0,1|2,0,0]=4
45  B14R2.8045  CC1=C2NC(=O)OC(=O)C2=CC=C1 OR30520 [1,0,0,0,0,1|1,0,1]=4
46  B14R2.1815  COC1=CC=C2C(=O)C(=O)NC2=C1 OR52220 [0,0,0,0,1,1|1,0,1]=4