0 B21R3.20467948 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)C=O MCULE-9594375691 [0,0,0,0,0,0|0,0,2]=2 1 B21R3.20467948 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CO MCULE-1144320520 [0,0,0,0,0,0|0,0,4]=4 2 B21R3.20467948 CC1=C(C2=NC3=C(N2C(=C1C=N)O)C=CC=C3)C#N MCULE-5383525885 [0,0,0,0,0,0|1,0,0]=1 3 B21R3.20467948 CC1=C(C2=NC3=C(N2C(=C1C=O)O)C=CC=C3)C#N MCULE-6181070496 [0,0,0,0,0,0|0,0,0]=0 4 B21R3.20467948 CC1=C(C2=NC3=C(N2C(=C1CO)O)C=CC=C3)C#N MCULE-8360498933 [0,0,0,0,0,0|0,0,2]=2 5 B21R3.20467948 CC1=C(C2=NC3=CC=CC=C3N2C(=C1C=O)Cl)C#N MCULE-2550920742 [0,0,0,0,0,0|1,0,0]=1 6 B21R3.20467948 CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CO)C#N MCULE-3854679034 [0,0,0,0,0,0|0,0,2]=2 7 B21R3.20467948 CCC1=C(C(=C2NC3=C(N2C1=O)C=CC=C3)C#N)C MCULE-2263502849 [0,0,0,0,0,0|1,0,3]=4 8 B21R3.20467948 CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)Cl MCULE-1723507341 [0,0,0,0,0,0|2,0,1]=3 9 B21R3.20467948 CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)O MCULE-1251489134 [0,0,0,0,0,0|1,0,1]=2 10 B21R3.20467948 CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)S MCULE-9106224121 [0,0,0,0,0,0|1,1,1]=3 11 B21R3.20467948 CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N MCULE-5447824477 [0,0,0,0,0,0|2,0,1]=3 12 B20R3.64433 CC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C MCULE-7731239812 [1,0,0,0,0,0|0,0,3]=4 13 B20R3.64433 CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)Br MCULE-7593241535 [1,0,0,0,0,0|1,0,2]=4 14 B20R3.64433 CC1=C(C2=NC3=C(N2C(=C1Br)O)C=CC=C3)C#N MCULE-3587043827 [1,0,0,0,0,0|1,0,0]=2 15 B22R3.4386656 CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)NC MCULE-1595388171 [0,1,0,0,0,0|2,0,1]=4 16 B22R3.4386656 CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)NN MCULE-9961389225 [0,1,0,0,0,0|2,0,1]=4 17 B22R3.4386656 CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)OC MCULE-1559278305 [0,1,0,0,0,0|1,0,1]=3 18 B22R3.4392725 C=C(C)C1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)Cl MCULE-6590264594 [0,1,0,0,0,0|2,0,0]=3 19 B22R3.4392725 C=C(C)C1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)O MCULE-7310494243 [0,1,0,0,0,0|1,0,0]=2 20 B22R3.4392725 CC1=C(C2=NC3=C(N2C(=C1C(C)C)Cl)C=CC=C3)C#N MCULE-2343788545 [0,1,0,0,0,0|2,0,1]=4 21 B22R3.7942133 C=CCC1=C(C(=C2NC3=C(N2C1=O)C=CC=C3)C#N)C MCULE-8254233468 [0,1,0,0,0,0|1,0,2]=4 22 B22R3.7942133 C=CCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)Cl MCULE-2080662721 [0,1,0,0,0,0|2,0,0]=3 23 B22R3.7942133 CC1=C(C2=NC3=C(N2C(=C1C=NO)O)C=CC=C3)C#N MCULE-1147642507 [0,1,0,0,0,0|0,0,1]=2 24 B22R3.7942133 CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)Cl)C#N MCULE-7712338597 [0,1,0,0,0,0|2,0,1]=4 25 B22R3.7942133 CN=CC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)O MCULE-2751719089 [0,1,0,0,0,0|1,0,0]=2 26 B22R4.1554511 CC1=C(C2=NC3=C(N2C4=C1CCS4)C=CC=C3)C#N MCULE-5543259719 [0,0,0,1,0,0|1,1,1]=4 27 B22R4.4928938 N#CC1=C2CCCC2=C(N3C1=NC4=C3C=CC=C4)Cl MCULE-5141567012 [0,0,0,1,0,0|2,0,1]=4 28 B22R4.4928938 N#CC1=C2CCCC2=C(N3C1=NC4=C3C=CC=C4)O MCULE-7604532492 [0,0,0,1,0,0|1,0,1]=3 29 B19R3.40918 CC1=C(C2=NC3=C(N2C(=C1)Cl)C=CC=C3)C#N MCULE-9749887740 [2,0,0,0,0,0|1,0,0]=3 30 B19R3.40918 CC1=C(C2=NC3=C(N2C(=C1)N)C=CC=C3)C#N MCULE-8901239242 [2,0,0,0,0,0|1,0,0]=3 31 B19R3.40918 CC1=C(C2=NC3=C(N2C(=C1)O)C=CC=C3)C#N MCULE-5707440781 [2,0,0,0,0,0|0,0,0]=2 32 B19R3.40918 CC1=C(C2=NC3=C(N2C(=C1)S)C=CC=C3)C#N MCULE-7439604862 [2,0,0,0,0,0|0,1,0]=3 33 B19R3.40918 CC1=CC(=C(C2=NC3=C(N12)C=CC=C3)C#N)C MCULE-9643841808 [2,0,0,0,0,0|1,0,0]=3 34 B19R3.40918 CC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N MCULE-3077846629 [2,0,0,0,0,0|0,0,2]=4 35 B19R3.40918 CC1=CC(=S)N2C3=CC=CC=C3NC2=C1C#N MCULE-5986274710 [2,0,0,0,0,0|0,1,1]=4 36 B19R3.40918 N#CC1=C(C=C(N2C1=NC3=CC=CC=C23)Cl)Cl MCULE-4539347098 [2,0,0,0,0,0|2,0,0]=4 37 B23R3.22420514 CC1=C(C2=NC3=C(N2C(=C1CCC#N)O)C=CC=C3)C#N MCULE-3253240080 [0,2,0,0,0,0|1,0,1]=4 38 B23R3.22420514 CCCCC1=C(N2C(=NC3=C2C=CC=C3)C(=C1C)C#N)O MCULE-1710621121 [0,2,0,0,0,0|1,0,1]=4 39 B23R4.4569895 N#CC1=C2CCCCC2=C(N3C1=NC4=C3C=CC=C4)O MCULE-2134128842 [0,1,0,1,0,0|1,0,1]=4