0  B10R1.10  CCNc1cc(ncn1)Br 697814c9cbc9020b63a5753161ff4203 [0,0,1,0,0,0|2,0,1]=4
1  B10R1.10  CCNc1cc(ncn1)C b1c6d3b0277aa9e6703ce1ebdf90b7a8 [0,0,1,0,0,0|2,0,1]=4
2  B10R1.10  CCNc1cc(ncn1)Cl 239d70edd51b7cabd71ee9f51e9168e1 [0,0,1,0,0,0|2,0,1]=4
3  B10R1.10  CCNc1cc(ncn1)F 63c6e5d5591a8b901f5b07e2aee5ee2a [0,0,1,0,0,0|2,0,1]=4
4  B10R1.10  CCNc1cc(ncn1)I 53bfc57cd09616ab42770ff3469a11d0 [0,0,1,0,0,0|2,0,1]=4
5  B10R1.10  Cc1cc(ncn1)NCF 120cc88af2651d8cc5aee06302219807 [0,0,1,0,0,0|3,0,0]=4
6  B10R1.10  Cc1cc(ncn1)NCO 584c215f23b53614acfda3e0bcb50f95 [0,0,1,0,0,0|3,0,0]=4
7  B10R1.10  FCNc1cc(ncn1)Br 53001d78a3014360b4383aa851fef561 [0,0,1,0,0,0|3,0,0]=4
8  B10R1.10  FCNc1cc(ncn1)Cl 587e7b687a9fc8eb1df86b59ec8fddc1 [0,0,1,0,0,0|3,0,0]=4
9  B10R1.10  FCNc1cc(ncn1)F 5ede4d17328c499c852f57825129f3c5 [0,0,1,0,0,0|3,0,0]=4
10  B10R1.10  FCNc1cc(ncn1)I 264dd46023f0ea9e2a52d563e9635d6a [0,0,1,0,0,0|3,0,0]=4
11  B10R1.10  OCNc1cc(ncn1)Br a34705796134d385a7c3a8adec776786 [0,0,1,0,0,0|3,0,0]=4
12  B10R1.10  OCNc1cc(ncn1)Cl 868164745f56291a6ec9f99b651a93e9 [0,0,1,0,0,0|3,0,0]=4
13  B10R1.10  OCNc1cc(ncn1)F 8608bea3ed2e596dcc86777d64522e21 [0,0,1,0,0,0|3,0,0]=4
14  B10R1.10  OCNc1cc(ncn1)I 697fc15f1966307fb2d525ce3839fcee [0,0,1,0,0,0|3,0,0]=4
15  B9R1.8  CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,1,0,0,0|1,0,1]=4
16  B9R1.8  FCNc1ccncn1 3985bc8bdaefccce56c4c94f092d4343 [1,0,1,0,0,0|2,0,0]=4
17  B9R1.8  O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [1,0,1,0,0,0|2,0,0]=4
18  B9R1.8  OCNc1ccncn1 5807087c5c4108ffa8c52d7444f962d7 [1,0,1,0,0,0|2,0,0]=4
19  B11R1.24  C=CCNc1cc(ncn1)Br caaf3b722b7a9b8a44563e2ccb363be3 [0,1,1,0,0,0|2,0,0]=4
20  B11R1.24  C=CCNc1cc(ncn1)C bace35bf2e0b63f5965d95aeb71d39e0 [0,1,1,0,0,0|2,0,0]=4
21  B11R1.24  C=CCNc1cc(ncn1)Cl 98761dd95b95e2d63d417513f7a378b4 [0,1,1,0,0,0|2,0,0]=4
22  B11R1.24  C=CCNc1cc(ncn1)F 63b81488f760e2396613565c26aa4f74 [0,1,1,0,0,0|2,0,0]=4
23  B11R1.24  C=CCNc1cc(ncn1)I ca3b76953b7ee9275e71ec7b0d795271 [0,1,1,0,0,0|2,0,0]=4
24  B11R1.24  Cc1cc(ncn1)NCC=O 66fa0f7244ff0924e2cb83facda25889 [0,1,1,0,0,0|2,0,0]=4
25  B11R1.24  O=CCNc1cc(ncn1)Br 923c471a093bb4531d6bf88e58d7d9e5 [0,1,1,0,0,0|2,0,0]=4
26  B11R1.24  O=CCNc1cc(ncn1)Cl d572b6eb50b06086074e3d6b53f1abca [0,1,1,0,0,0|2,0,0]=4
27  B11R1.24  O=CCNc1cc(ncn1)F ad231e1bf788d40eed2d6057e0ac631c [0,1,1,0,0,0|2,0,0]=4
28  B11R1.24  O=CCNc1cc(ncn1)I 40f529cc64af090e5d9bd345a40501a4 [0,1,1,0,0,0|2,0,0]=4
29  B13R2.292  CCNc1ncnc2c1cc[nH]2 ec5d21eed802de102b868ae1f471ea29 [0,2,0,0,0,0|2,0,0]=4
30  B13R2.292  CCNc1ncnc2c1cn[nH]2 3b576b81aeced527bbdf405920f30606 [0,2,0,0,0,0|1,0,1]=4
31  B13R2.292  CCOc1ncnc2c1cc[nH]2 d67176a177230cae27b9fced611ac703 [0,2,0,0,0,0|1,0,1]=4
32  B13R2.292  CCOc1ncnc2c1cn[nH]2 6785078aba04ed522e0bc646f9a1c794 [0,2,0,0,0,0|0,0,2]=4
33  B13R2.292  FCNc1ncnc2c1cc[nH]2 f086e6306e6a6e2ae3deb4d4dd8bed9f [0,2,0,0,0,0|2,0,0]=4
34  B13R2.292  FCNc1ncnc2c1cn[nH]2 b372e2574da230d0865682207b2d2b4d [0,2,0,0,0,0|1,0,1]=4
35  B13R2.292  FCOc1ncnc2c1cc[nH]2 8bcd25579721c9a934475c372acf3858 [0,2,0,0,0,0|1,0,1]=4
36  B13R2.292  FCOc1ncnc2c1cn[nH]2 91a331124df0040e3cbc0ba66e7b6d9a [0,2,0,0,0,0|0,0,2]=4
37  B13R2.292  O=CNc1ncnc2c1ccs2 d1da3b91281d7e1aa10cd62cc1b3ba04 [0,2,0,0,0,0|2,0,0]=4
38  B13R2.292  OCNc1ncnc2c1cc[nH]2 7b1055ef8939f2c5ee6c7c4f14433189 [0,2,0,0,0,0|1,0,1]=4
39  B13R2.292  OCNc1ncnc2c1cn[nH]2 254c4e0b24df65756b477244c6389a64 [0,2,0,0,0,0|0,0,2]=4
40  B11R2.2  c1nsc(n1)c2cc[nH]c2 3cf80e01568c2521658f381a7dacc69b [0,0,1,1,0,0|1,1,0]=4
41  B11R2.2  c1nsc(n1)c2cn[nH]c2 abe6984a4717e73819b36f8a1183034b [0,0,1,1,0,0|0,1,1]=4