0  B21R3.20467948  CC1=C(C=O)C(=O)N2C(Nc3ccccc23)=C1C#N Amb19203829 [0,0,0,0,0,0|0,0,2]=2
1  B21R3.20467948  CC=1C(C#N)=C2Nc3ccccc3N2C(=O)C1CC Amb19757596 [0,0,0,0,0,0|1,0,3]=4
2  B21R3.20467948  CC=1C(C#N)=C2Sc3ccccc3N2C(=O)C1C#N Amb22434734 [0,0,0,0,0,0|2,0,2]=4
3  B21R3.20467948  N#Cc1c(C)c(CC)c(=O)n2c1[nH]c3c2cccc3 Amb1825524 [0,0,0,0,0,0|1,0,3]=4
4  B21R3.20467948  N#Cc1c(C)c(CC)c(n2c1nc3c2cccc3)Cl Amb1691968 [0,0,0,0,0,0|2,0,1]=3
5  B21R3.20467948  N#Cc1c(C)c(CC)c(n2c1nc3c2cccc3)S Amb1161228 [0,0,0,0,0,0|1,1,1]=3
6  B21R3.20467948  N#Cc1c(C)c(CO)c(n2c1nc3c2cccc3)O Amb10782254 [0,0,0,0,0,0|0,0,2]=2
7  B20R3.64433  CC=1C(C#N)=C2Nc3ccccc3N2C(=O)C1C Amb19547125 [1,0,0,0,0,0|0,0,3]=4
8  B20R3.64433  N#Cc1c(C)c(Br)c(n2c1nc3c2cccc3)C Amb16229091 [1,0,0,0,0,0|2,0,0]=3
9  B22R3.4161620  N#CC=1C(CCl)=C(C=O)C(=O)N2C1Nc3ccccc23 Amb19203930 [0,1,0,0,0,0|0,0,2]=3
10  B22R3.4386656  CNc1c(CC)c(C)c(c2n1c3ccccc3n2)C#N Amb2230256 [0,1,0,0,0,0|2,0,1]=4
11  B22R3.4386656  NNc1c(CC)c(C)c(c2n1c3ccccc3n2)C#N Amb1824039 [0,1,0,0,0,0|2,0,1]=4
12  B22R3.4392725  N#Cc1c(C)c(C(C)C)c(n2c1nc3c2cccc3)Cl Amb1161460 [0,1,0,0,0,0|2,0,1]=4
13  B22R3.7942133  C=CCc1c(C)c(C#N)c2n(c1=O)c3ccccc3[nH]2 Amb1315969 [0,1,0,0,0,0|1,0,2]=4
14  B22R3.7942133  C=CCc1c(C)c(C#N)c2n(c1Cl)c3ccccc3n2 Amb1270978 [0,1,0,0,0,0|2,0,0]=3
15  B22R3.7942133  CC1=C(CC=C)C(=O)N2C(Nc3ccccc23)=C1C#N Amb19757179 [0,1,0,0,0,0|1,0,2]=4
16  B22R3.7942133  CCCc1c(C)c(C#N)c2n(c1Cl)c3ccccc3n2 Amb1692002 [0,1,0,0,0,0|2,0,1]=4
17  B22R3.7942133  CCCc1c(C)c(C#N)c2n(c1O)c3ccccc3n2 Amb1581864 [0,1,0,0,0,0|1,0,1]=3
18  B22R3.7942133  ClCCc1c(C)c(C#N)c2n(c1Cl)c3ccccc3n2 Amb1161196 [0,1,0,0,0,0|2,0,1]=4
19  B22R3.31487028  CN1C2=C(C#N)C(C)=C(C=O)C(=O)N2c3ccccc13 Amb19388755 [0,1,0,0,0,0|0,0,2]=3
20  B22R4.4928938  N#Cc1c2CCCc2c(n3c1nc4c3cccc4)Cl Amb1161189 [0,0,0,1,0,0|2,0,1]=4
21  B19R3.40918  CC1=CC(=O)N2C(Nc3ccccc23)=C1C#N Amb17989204 [2,0,0,0,0,0|0,0,2]=4
22  B19R3.40918  N#Cc1c(C)cc(n2c1nc3c2cccc3)C Amb1101873 [2,0,0,0,0,0|1,0,0]=3
23  B19R3.40918  N#Cc1c(C)cc(n2c1nc3c2cccc3)Cl Amb1269870 [2,0,0,0,0,0|1,0,0]=3
24  B19R3.40918  N#Cc1c(C)cc(n2c1nc3c2cccc3)N Amb1539010 [2,0,0,0,0,0|1,0,0]=3
25  B19R3.40918  N#Cc1c(C)cc(n2c1nc3c2cccc3)S Amb1151588 [2,0,0,0,0,0|0,1,0]=3
26  B23R3.6162886  N#Cc1c(C)c(CC(=C)C)c(n2c1nc3c2cccc3)Cl Amb2469191 [0,2,0,0,0,0|2,0,0]=4
27  B23R3.22420514  N#CCCc1c(C)c(C#N)c2n(c1O)c3ccccc3n2 Amb1151792 [0,2,0,0,0,0|1,0,1]=4
28  B21R2.77480  CC1=C(C#N)C(=O)N(Cc2ccccc2)C(Cl)=C1C=O Amb18529075 [0,0,1,0,0,1|2,0,0]=4