0  B22R3.402371  CCCn1cnc2c1ccc(c2)NC(=O)c3cocn3 727384add40665e2e8ecc6051c845d5d [2,0,0,0,0,0|2,0,0]=4
1  B22R3.402371  CCCn1cnc2c1ccc(c2)NC(=O)c3cscn3 1d968a0b78550bc38f754b472fd69e25 [2,0,0,0,0,0|2,0,0]=4
2  B22R3.22833262  CCn1cc(c2c1ccc(c2)NC(=O)c3cocn3)C 6672dac76bd0535f69ebc20df4f5ee06 [2,0,0,0,0,0|1,0,1]=4
3  B22R3.22833262  CCn1cc(c2c1ccc(c2)NC(=O)c3cscn3)C 7e09a4c088e2ffdd432d8d453486978c [2,0,0,0,0,0|1,0,1]=4
4  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ccco3)C#N f0bbbdb1b00809f8661ce85627545391 [2,0,0,0,0,0|2,0,0]=4
5  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3cccs3)C#N f151a97ac1b3893ac0012cf5481d4b92 [2,0,0,0,0,0|2,0,0]=4
6  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ccoc3)C#N b6cb97be4b9af5205eb7b4ffa7f54b89 [2,0,0,0,0,0|2,0,0]=4
7  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ccsc3)C#N c4e531c4cb31bcf4105f9a4babe19a93 [2,0,0,0,0,0|2,0,0]=4
8  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ccsn3)C#N 7e5e31125b63b663732bfa63850151cf [2,0,0,0,0,0|2,0,0]=4
9  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3cncs3)C#N e0c5b8239bc3062b5bd2da17436a4386 [2,0,0,0,0,0|1,0,1]=4
10  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3cnon3)C#N 8f7a27fcc317128ad344ac4ddcef1e85 [2,0,0,0,0,0|1,0,1]=4
11  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3cnsn3)C#N 7c8637fc814dfee8d6146e7da6cb944b [2,0,0,0,0,0|1,0,1]=4
12  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3cocn3)C#N f1c60f0c3310b51b2470714ccff80678 [2,0,0,0,0,0|1,0,0]=3
13  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3cscn3)C#N cdd1cd468a80a5e2a3b05268d4f0b3da [2,0,0,0,0,0|1,0,0]=3
14  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3csnn3)C#N 311b6d761c98ca20c48d070e0929d0c8 [2,0,0,0,0,0|2,0,0]=4
15  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ncco3)C#N 1a746d006f17bf7b02cb176e1f8169f3 [2,0,0,0,0,0|2,0,0]=4
16  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3nccs3)C#N 6b45701412829a13211ce6643549f170 [2,0,0,0,0,0|2,0,0]=4
17  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ncns3)C#N 63f79fcd32f301d8e69945a9dead4130 [2,0,0,0,0,0|1,0,1]=4
18  B22R3.147445560  Cn1cc(c2c1ccc(c2)NC(=O)c3ncon3)C#N 1f14f4d46a9089b5710a4f1f75228773 [2,0,0,0,0,0|2,0,0]=4