0  B13R2.369  OC1=NC2=CC=CC=C2C=C1Br 4032198 [0,0,0,0,0,0|2,0,2]=4
1  B12R2.24  BrC1=CC2=C(C=C1)C=NC=N2 4108282 [1,0,0,0,0,0|3,0,0]=4
2  B12R2.24  BrC1=CC=C2C=NC=CC2=C1 4108320 [1,0,0,0,0,0|2,0,0]=3
3  B14R2.1128  O=CC1=CC2=CC=CC=C2NC1=O 4003194 [0,1,0,0,0,0|1,0,1]=3
4  B14R2.1128  OCC1=CC2=CC=CC=C2N=C1Cl 4030706 [0,1,0,0,0,0|2,0,1]=4
5  B14R2.8188  CN1C(=O)C(=O)NC2=CC=CC=C21 4033761 [0,1,0,0,0,0|2,0,1]=4
6  B14R2.8188  CN1C(=O)C(Br)=CC2=C1C=CC=C2 4031359 [0,1,0,0,0,0|2,0,0]=3
7  B12R1.43  O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,0,1,0,0,0|2,0,0]=3
8  B12R2.18  NC1C(=O)NC2=C1C=CC=C2 4011261 [0,0,0,0,1,0|2,0,1]=4
9  B11R1.91  O=C(O)CNC1=CC=CN=C1 4110417 [1,0,1,0,0,0|1,0,1]=4
10  B13R1.133  CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,1,1,0,0,0|2,0,0]=4
11  B13R1.133  O=C(O)C(=O)NC1=CC=C(F)C=C1 4027133 [0,1,1,0,0,0|2,0,0]=4
12  B13R1.148  O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,1,1,0,0,0|2,0,0]=4
13  B13R1.148  O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,1,1,0,0,0|2,0,0]=4
14  B13R1.152  CN(C(=O)C(=O)O)C1=CC=CC=C1 4028185 [0,1,1,0,0,0|2,0,0]=4
15  B13R1.202  CC1=CC=CC=C1NC(=O)C(=O)O 4027011 [0,1,1,0,0,0|2,0,0]=4
16  B13R1.202  O=C(O)C(=O)NC1=CC=CC=C1Cl 4030004 [0,1,1,0,0,0|2,0,0]=4
17  B13R1.202  O=C(O)C(=O)NC1=CC=CC=C1F 4027050 [0,1,1,0,0,0|2,0,0]=4
18  B13R2.32  CC1=C(O)C=CC2=CC=CC=C21 4021629 [1,1,0,0,0,0|2,0,0]=4
19  B13R2.155  NC1=CC=C2C=CC(=O)NC2=C1 4038499 [1,1,0,0,0,0|1,0,0]=3
20  B13R2.155  NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [1,1,0,0,0,0|2,0,0]=4
21  B13R2.155  O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [1,1,0,0,0,0|1,0,0]=3
22  B13R2.328  O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [1,1,0,0,0,0|1,0,0]=3
23  B13R2.328  OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [1,1,0,0,0,0|2,0,0]=4
24  B13R2.5179  O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [1,1,0,0,0,0|1,0,0]=3
25  B13R2.45  CC1=C(C=O)NC2=CC=CC=C21 4003347 [0,1,0,0,1,0|2,0,0]=4
26  B13R2.45  O=CC1=C(Cl)C2=CC=CC=C2N1 4003000 [0,1,0,0,1,0|2,0,0]=4
27  B15R2.1754  NCC1=CC2=CC=C(F)C=C2NC1=O 4011514 [0,2,0,0,0,0|2,0,0]=4
28  B15R2.21243  CN1C(=O)C(C#N)=CC2=CC=CC=C21 4043451 [0,2,0,0,0,0|2,0,0]=4
29  B15R2.21243  CN1C(=O)C(C=O)=CC2=CC=CC=C21 4035619 [0,2,0,0,0,0|1,0,1]=4
30  B15R2.21243  CN1C(=O)C(CCl)=CC2=CC=CC=C21 4036351 [0,2,0,0,0,0|2,0,0]=4
31  B15R2.21243  CN1C(=O)C(CO)=CC2=CC=CC=C21 4042749 [0,2,0,0,0,0|1,0,0]=3
32  B13R2.435  NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,0,1,1,0,0|1,1,0]=4
33  B11R1.35  O=C(O)C(=O)NC1=NC=CS1 4028501 [0,0,1,0,1,0|2,0,0]=4
34  B11R1.36  O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,0,1,0,1,0|1,0,0]=3
35  B11R1.36  O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,0,1,0,1,0|1,0,0]=3
36  B11R2.36  OC1=CC=C2C=NOC2=C1 4036298 [1,0,0,0,1,0|2,0,0]=4
37  B13R1.348  CC(=O)CC(=O)NC1=CN=CC=C1 6082222 [0,0,1,0,0,1|0,0,2]=4
38  B13R1.348  O=C(O)CC(=O)NC1=CC=CC=C1 4027608 [0,0,1,0,0,1|2,0,0]=4