0  B12R2.18  CC1=NC2=C(N1C)C=CN=C2 4287394 [0,0,0,0,0,0|3,0,0]=3
1  B11R2.1  C1=CC2=C(N=C1)SC=C2Br 289926 [1,0,0,0,0,0|2,1,0]=4
2  B13R2.45  CNC1=NC2=CC=CC=C2N1N 827912 [0,1,0,0,0,0|3,0,0]=4
3  B11R1.36  C1=CC=C(C=C1)[C@@H](C(=O)O)O 439616 [0,0,1,0,0,0|2,0,1]=4
4  B11R1.36  CN(C1=CC=CC=C1)C(=S)N 723631 [0,0,1,0,0,0|2,1,0]=4
5  B11R1.40  CCC(=O)NC1=CC=CC=C1 12107 [0,0,1,0,0,0|2,0,1]=4
6  B13R2.328  CC1CC2=CC=CC=C2C(=N1)C 6603531 [0,0,0,0,0,1|1,0,1]=3
7  B13R2.369  CC1=C(N=C2C(=N1)C=CC=N2)C 252159 [0,0,0,0,0,1|2,0,0]=3
8  B13R2.369  CC1=CC2=NC=CN=C2C=C1C 247669 [0,0,0,0,0,1|3,0,0]=4
9  B12R2.32  CCC1=NC2=CC=CC=C2N1 15807 [1,1,0,0,0,0|2,0,0]=4
10  B12R2.606  C1=CC2=C(C=C1Br)OC(=N2)N 40235 [1,1,0,0,0,0|2,0,0]=4
11  B12R2.606  C1C2=C(C=CC(=C2)O)OC1=O 75898 [1,1,0,0,0,0|1,0,1]=4
12  B14R2.4513  CC1=NNC2=C(C1=O)C=C(C=C2)Br 286543 [0,1,0,0,0,1|2,0,0]=4
13  B14R2.8188  CN1C(=O)C2=CC=CC=C2OC1=O 247180 [0,1,0,0,0,1|2,0,0]=4
14  B14R2.1019  C1=CC=C2C(=C1)C(=O)C=C(O2)CO 12536095 [0,1,0,0,0,1|1,0,0]=3
15  B14R2.1146  CNC1=NC(=S)NC2=CC=CC=C21 2578179 [0,1,0,0,0,1|2,0,0]=4
16  B14R2.8235  CC1=CC2=C(C=C1)SC(=CC2=O)C 268504 [0,1,0,0,0,1|1,1,0]=4
17  B14R2.29365  CC1=CC(=C2C=CC(=CC2=N1)Cl)Cl 854747 [0,1,0,0,0,1|2,0,0]=4
18  B14R2.29365  CC1=CC(=NC2=C1C=CC(=C2)Cl)C 605770 [0,1,0,0,0,1|1,0,0]=3
19  B14R2.29365  CC1=CC(=O)C2=C(N1)C=C(C=C2)Cl 761550 [0,1,0,0,0,1|2,0,0]=4
20  B14R2.8239  CC1=C(N=C2C=C(C=CC2=N1)Cl)C 236280 [0,1,0,0,0,1|1,0,0]=3
21  B14R2.44  CC1=C(SC2=CC=CC=C12)\C=N\O 9584640 [0,2,0,0,0,0|0,1,1]=4
22  B14R2.450  CC(=O)C1=C(C2=CC=CC=C2O1)N 654095 [0,2,0,0,0,0|1,0,0]=3
23  B14R2.517  CC1=C(C2=CC=CC=C2N1)CC#N 2802388 [0,2,0,0,0,0|1,0,0]=3
24  B14R2.642  CC(=O)N1C2=CC=CC=C2OC1=O 32752 [0,2,0,0,0,0|2,0,0]=4
25  B14R2.19306  CC1=C(C2=CC=CC=C2N1C)C#N 683756 [0,2,0,0,0,0|1,0,1]=4
26  B14R3.49  C1CC2=NC3=CC=CC=C3N2C1 82179 [0,1,0,1,0,0|2,0,0]=4
27  B14R3.49  C1CN2C3=CC=CC=C3N=C2N1 400916 [0,1,0,1,0,0|2,0,0]=4