0  B13R2.581  COc1c2c(ccn1)NC(=O)C2 AB48335 [1,0,0,0,0,0|2,0,0]=3
1  B13R2.581  COc1cccc2c1CC(=O)N2 AB31926 [1,0,0,0,0,0|1,0,0]=2
2  B13R2.581  COc1cccc2c1NC(=O)C2 AB11400 [1,0,0,0,0,0|1,0,0]=2
3  B13R2.581  COc1ccnc2c1CC(=O)N2 AB66469 [1,0,0,0,0,0|2,0,0]=3
4  B13R2.581  c1cc2c(c(c1)C#N)NC(=O)C2 AB11404 [1,0,0,0,0,0|3,0,0]=4
5  B13R2.4825  CN1c2cccc(c2CC1=O)Br PB19105 [1,0,0,0,0,0|3,0,0]=4
6  B13R2.4825  c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [1,0,0,0,0,0|2,0,1]=4
7  B13R2.4825  c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [1,0,0,0,0,0|2,0,1]=4
8  B13R2.4825  c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [1,0,0,0,0,0|2,0,1]=4
9  B13R2.4825  c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [1,0,0,0,0,0|2,0,1]=4
10  B13R1.642  COc1cccc(c1)C(C(=O)O)N AB11969 [0,0,1,0,0,0|3,0,0]=4
11  B13R1.642  COc1cccc(c1)[C@@H](C(=O)O)N AB32862 [0,0,1,0,0,0|3,0,0]=4
12  B13R1.642  COc1cccc(c1)[C@H](C(=O)O)N AB32860 [0,0,1,0,0,0|3,0,0]=4
13  B15R2.20937  COc1cccc2c1[nH]c(=O)[nH]c2=O AB55578 [0,0,0,0,0,1|1,0,1]=3
14  B15R2.20937  COc1cccc2c1[nH]c(=O)oc2=O AB18079 [0,0,0,0,0,1|1,0,1]=3
15  B15R2.20937  Cc1cc(c2cccc(c2n1)OC)O AB05592 [0,0,0,0,0,1|2,0,1]=4
16  B12R1.435  COc1cccc(c1)C(=O)C=O AB29981 [1,0,1,0,0,0|1,0,1]=4
17  B12R1.440  COc1c(c(ccn1)C(=O)O)N AB75431 [1,0,1,0,0,0|2,0,0]=4
18  B12R1.440  COc1cccc(c1F)C(=O)O AB11420 [1,0,1,0,0,0|2,0,0]=4
19  B12R1.440  COc1ccnc(c1N)C(=O)O AB75476 [1,0,1,0,0,0|2,0,0]=4
20  B12R1.440  COc1cncc(c1N)C(=O)O AB83419 [1,0,1,0,0,0|2,0,0]=4
21  B12R1.438  COc1cccc(c1)CC(=N)N AB21306 [1,0,1,0,0,0|2,0,0]=4
22  B12R1.438  COc1cccc(c1)NC(=N)N AB30295 [1,0,1,0,0,0|1,0,0]=3
23  B12R2.202  Cc1cccc2=NC(=O)N=c12 AB44499 [2,0,0,0,0,0|0,0,2]=4
24  B12R2.202  c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [2,0,0,0,0,0|2,0,0]=4
25  B12R2.202  c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [2,0,0,0,0,0|2,0,0]=4
26  B12R2.202  c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [2,0,0,0,0,0|2,0,0]=4
27  B12R2.202  c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [2,0,0,0,0,0|2,0,0]=4
28  B12R2.202  c1cc2c(c(c1)F)CC(=O)N2 AB17595 [2,0,0,0,0,0|2,0,0]=4
29  B12R2.202  c1cc2c(c(c1)F)NC(=O)C2 AB11394 [2,0,0,0,0,0|2,0,0]=4
30  B12R2.202  c1cc2c(c(c1)O)CC(=O)N2 AB13551 [2,0,0,0,0,0|1,0,0]=3
31  B14R1.3583  CC(c1cccc(c1)OC)(C(=O)O)O AB60214 [0,1,1,0,0,0|2,0,0]=4
32  B14R2.535  c1cc(c2c(c1)NC(=O)C2)CCBr MB07625 [1,1,0,0,0,0|2,0,0]=4
33  B14R2.8620  Cc1ccc(c2c1NC(=O)C2=O)Br AB25936 [1,1,0,0,0,0|1,0,1]=4
34  B16R2.36854  Cn1c2cccc(c2c(=O)oc1=O)OC AB22045 [0,1,0,0,0,1|2,0,0]=4
35  B14R2.11684  COc1cccc2c1NC(=O)CO2 MB11344 [0,0,1,1,0,0|1,0,0]=3
36  B14R2.3274  COc1ccc2c(c1)C(=O)C(=O)N2 MB00814 [0,0,1,1,0,0|1,0,1]=4
37  B12R1.77  COc1ccccc1C(=O)C=O AB29979 [0,0,1,0,1,0|1,0,1]=4