0  B18R2.65629  Fc1cccc(c1Cn2nnc(c2)C(=O)N)F 1P0084AY [0,0,0,0,0,0|0,0,0]=0
1  B18R2.65629  Fc1cccc(c1Cn2nnc(c2)C(=O)O)F 1P001X1D [0,0,0,0,0,0|1,0,0]=1
2  B18R2.65629  [O-]C(=O)c1nnc(o1)Cc2c(F)cccc2Cl 1P01FJTJ [0,0,0,0,0,0|3,1,0]=4
3  B17R2.5116  Clc1ccccc1Cn2ncc(c2)C(=O)O 1P00JFCW [1,0,0,0,0,0|2,1,0]=4
4  B19R2.154371  COC(=O)c1nnn(c1)Cc2c(F)cccc2F 1P003A4T [0,1,0,0,0,0|1,0,0]=2
5  B17R2.41932  Fc1cccc(c1c2nnc(o2)C(=O)[O-])F 1P01C3R0 [0,0,0,0,1,0|3,0,0]=4
6  B17R2.41932  Fc1cccc(c1c2noc(c2)C(=O)O)F 1P01AI8O [0,0,0,0,1,0|3,0,0]=4
7  B17R2.41932  Fc1cccc(c1c2onc(c2)C(=O)O)F 1P028PGU [0,0,0,0,1,0|3,0,0]=4
8  B17R2.41932  Fc1cccc(c1n2nnc(c2)C(=O)O)F 1P028DMF [0,0,0,0,1,0|1,0,0]=2
9  B16R2.84  CC(=O)c1cnn(c1)Cc2ccccc2 1P00937J [2,0,0,0,0,0|2,0,0]=4
10  B16R2.84  NC(=N)c1cnn(c1)Cc2ccccc2 1P028N1P [2,0,0,0,0,0|2,0,0]=4
11  B16R2.84  NC(=O)c1nnn(c1)Cc2ccccc2 1P01E5TF [2,0,0,0,0,0|0,0,0]=2
12  B16R2.84  OC(=O)c1cnn(c1)Cc2ccccc2 1P00C0H3 [2,0,0,0,0,0|2,0,0]=4
13  B16R2.84  OC(=O)c1ncn(c1)Cc2ccccc2 1P0064QF [2,0,0,0,0,0|2,0,0]=4
14  B16R2.84  OC(=O)c1nnn(c1)Cc2ccccc2 1P002XCA [2,0,0,0,0,0|1,0,0]=3
15  B16R2.84  OC(=O)c1nnn(c1)Cc2ccccn2 1P019SH1 [2,0,0,0,0,0|2,0,0]=4
16  B16R2.84  OC(=O)c1nnn(c1)Cc2cccnc2 1P019SH0 [2,0,0,0,0,0|2,0,0]=4
17  B16R2.84  OC(=O)c1nnn(c1)Cc2cccnc2 1P0281O7 [2,0,0,0,0,0|2,0,0]=4
18  B16R2.2363  O=Cc1cnn(c1)Cc2ccccc2C 1P028ZNN [2,0,0,0,0,0|2,0,0]=4
19  B16R2.2363  O=Cc1cnn(c1)Cc2ccccc2Cl 1P00IF94 [2,0,0,0,0,0|1,1,0]=4
20  B16R2.2363  O=Cc1cnn(c1)Cc2ccccc2F 1P018L4R [2,0,0,0,0,0|1,0,0]=3
21  B16R2.11484  Fc1cccc(c1Cn2nnc(c2)I)F 1P01B5TW [2,0,0,0,0,0|1,0,0]=3
22  B16R2.11484  Nc1cnn(c1)Cc2c(F)cccc2Cl 1P01DQT9 [2,0,0,0,0,0|1,1,0]=4
23  B18R2.32603  Clc1ccccc1Cn2nnc(c2N)C(=O)N 1P01A1KO [1,1,0,0,0,0|0,1,0]=3
24  B18R2.326704  Fc1cccc(c1n2ncc(c2N)C(=O)O)F 1P027WC9 [0,1,0,0,1,0|2,0,0]=4
25  B20R2.153804  Fc1cccc(c1C(n2nnc(c2)C(=O)[15NH2])([2H])[2H])F 1P01CCWW [0,2,0,0,0,0|0,0,0]=2
26  B16R2.3270  Brc1ccccc1n2nnc(c2)C(=O)O 1P019MX5 [1,0,0,0,1,0|1,1,0]=4
27  B16R2.3270  Clc1ccccc1n2nnc(c2)C(=O)O 1P01A8CX [1,0,0,0,1,0|1,1,0]=4
28  B16R2.3270  Fc1ccccc1n2cnc(c2)C(=O)O 1P01ERQB [1,0,0,0,1,0|2,0,0]=4
29  B16R2.3270  Fc1ccccc1n2ncc(c2)C(=O)C 1P00HEM2 [1,0,0,0,1,0|2,0,0]=4
30  B16R2.3270  Fc1ccccc1n2ncc(c2)C(=O)O 1P00090E [1,0,0,0,1,0|2,0,0]=4