0  B9R1.33  CCNc1scnc1C 598ef1fd07e91eb9697ee31a08cdcde7 [0,1,0,0,0,0|0,0,2]=3
1  B9R1.33  Cc1ncsc1NC=O 9ce065a598efb44ea1079e1d362e476d [0,1,0,0,0,0|1,0,0]=2
2  B9R1.33  Cc1ncsc1NCF 35a68244a2fba9354c705268dcd80977 [0,1,0,0,0,0|1,0,1]=3
3  B9R1.33  Cc1ncsc1NCO df3e797faa7c3c37b6894aa2e0c6e3c0 [0,1,0,0,0,0|1,0,1]=3
4  B9R1.33  Cc1nocc1NC=O 1fb95a909e06986ee5c3e273a510f372 [0,1,0,0,0,0|3,0,0]=4
5  B9R1.33  Cc1nonc1NC=O 9683cf0eab3980eb41452b01851774cc [0,1,0,0,0,0|3,0,0]=4
6  B9R1.33  Cc1nscc1NC=O 9c5a0b9b9b583cfed8a1ef4f924fa8df [0,1,0,0,0,0|3,0,0]=4
7  B9R1.33  Cc1sccc1NC=O 182c82464adb5dcd1d12fd78a8801218 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.33  Cn1nccc1NC=O 7f0963d88bb173b33e12878301988475 [0,1,0,0,0,0|3,0,0]=4
9  B8R1.8  CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [1,1,0,0,0,0|0,0,2]=4
10  B8R1.8  FCNc1cncs1 8b493dc10d152e95cc556b0e6f254623 [1,1,0,0,0,0|1,0,1]=4
11  B8R1.8  O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [1,1,0,0,0,0|2,0,0]=4
12  B8R1.8  O=CNc1cncs1 2fc027c30eccc6d6784fdd08eb71b5dd [1,1,0,0,0,0|1,0,0]=3
13  B8R1.8  O=CNc1nncs1 123fea97a85f5e2fcd8f328170f4a026 [1,1,0,0,0,0|2,0,0]=4
14  B8R1.8  OCNc1cncs1 6a1421c2b1d1c1d56a31b7e716ddbb04 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.10  Cc1cc(ccn1)NC=O a1b570429a4635d83924ed4666c430bc [0,1,0,0,0,1|2,0,0]=4
16  B10R1.10  Cc1nccc(n1)NC=O e84c30325902b0646d151aa501bd82b0 [0,1,0,0,0,1|2,0,0]=4
17  B10R1.4  Cc1cnccc1NC=O 097b7c8f6102fdb97f5ed9ba0f37156f [0,1,0,0,0,1|2,0,0]=4
18  B10R1.4  Cc1ncccc1NC=O 7a06f216539d990da9cb44ab6e9b0c87 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.4  Cc1nccnc1NC=O 8a484b3cbf5462e9e715573d77acff31 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.4  Cc1ncncc1NC=O e208c53ff6ae6786cc4686d2d6167722 [0,1,0,0,0,1|2,0,0]=4
21  B10R1.4  Cc1nnccc1NC=O 343696ed1d5858faa36f4c0c6c5c96ab [0,1,0,0,0,1|2,0,0]=4
22  B10R1.5  CCNc1ccsc1C=O 5739aaa524bdea2eacc804608ada4716 [0,2,0,0,0,0|2,0,0]=4
23  B10R1.5  O=Cc1sccc1NCF 15d0bb10eb7ac6cf653d430c0c2a7fa2 [0,2,0,0,0,0|2,0,0]=4
24  B10R1.5  O=Cc1sccc1NCO b58f5e0897b370725bc699ba92f720f0 [0,2,0,0,0,0|2,0,0]=4
25  B10R1.187  Cc1ncn(c1NC=O)C 1884c62df64512e371dd60cc06022c20 [0,2,0,0,0,0|2,0,0]=4
26  B10R1.29  C#CCNc1scnc1C 67f96c8c3781e92018aed23be760c259 [0,2,0,0,0,0|0,0,2]=4
27  B10R1.29  C=CCNc1c[nH]nc1C d389975934fdd76f6b8af522822aa14a [0,2,0,0,0,0|2,0,0]=4
28  B10R1.29  C=CCNc1ccnn1C 631454616a86dfb4efdaf5a07e67aace [0,2,0,0,0,0|2,0,0]=4
29  B10R1.29  C=CCNc1ccsc1C a20bdc9d6708d40a5b1bc2423741537c [0,2,0,0,0,0|2,0,0]=4
30  B10R1.29  C=CCNc1conc1C 0ef66eb3e332e10b5578f502ec65bd06 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.29  C=CCNc1csnc1C 2fdff672d6df54d8bd31cb1b753fdd29 [0,2,0,0,0,0|2,0,0]=4
32  B10R1.29  C=CCNc1ncnn1C 16146f5e2fda58114b5dc4dd439fd774 [0,2,0,0,0,0|2,0,0]=4
33  B10R1.29  C=CCNc1nonc1C 755f350dcc17fdf80c9f0bfe0ea6b90b [0,2,0,0,0,0|2,0,0]=4
34  B10R1.29  C=CCNc1scnc1C b6438694cf2458680f83458ac12bce37 [0,2,0,0,0,0|0,0,0]=2
35  B10R1.29  C=CCOc1ccnn1C bb94d947de8633356f4ea1d275b0bd53 [0,2,0,0,0,0|2,0,0]=4
36  B10R1.29  CCCNc1scnc1C 8ea9fcb5aa8469e9b9552a4f260d83dd [0,2,0,0,0,0|0,0,2]=4
37  B10R1.29  CCNCc1scnc1C 9204d7565d57b0e0bb5537f7bf04b137 [0,2,0,0,0,0|0,0,2]=4
38  B10R1.29  CCOCc1scnc1C 08fbb584585273c03ccb3fc3c54d5a67 [0,2,0,0,0,0|0,0,2]=4
39  B10R1.29  COCNc1scnc1C e4989af1dc6b47dbd8147f3d6a5a8b8b [0,2,0,0,0,0|0,0,2]=4
40  B10R1.29  CSCNc1scnc1C d2e7d398810d36055d38c863cb5d03a8 [0,2,0,0,0,0|0,0,2]=4
41  B10R1.29  Cc1ncsc1CNC#N ab6c4fa64febce0bc8865488c7e780b7 [0,2,0,0,0,0|0,0,2]=4
42  B10R1.29  Cc1ncsc1CNC=O 30603d5ccfcad65650375e89d44db747 [0,2,0,0,0,0|0,0,1]=3
43  B10R1.29  Cc1ncsc1CNCF 2af11a40b7e1bd982f7dda52c6fa142e [0,2,0,0,0,0|0,0,2]=4
44  B10R1.29  Cc1ncsc1CNCO 6a174d97cb14e8bdfeb32b87340382ed [0,2,0,0,0,0|0,0,2]=4
45  B10R1.29  Cc1ncsc1COCF ba902554290dc5aa89e5daceb46e45e7 [0,2,0,0,0,0|0,0,2]=4
46  B10R1.29  Cc1ncsc1NCC#N a2fa6c9787e981d376c93e374dfede47 [0,2,0,0,0,0|0,0,2]=4
47  B10R1.29  Cc1ncsc1NCC=O dbfc4627e90345c93fd3dd842a3c9f1c [0,2,0,0,0,0|0,0,1]=3
48  B10R1.29  Cc1ncsc1NCCF 6d5421e81fb87ecf0ed60ec2ed652d87 [0,2,0,0,0,0|0,0,2]=4
49  B10R1.29  Cc1ncsc1NCCO abfede32d6c25c90a0a8cfe5561ec8bb [0,2,0,0,0,0|0,0,2]=4
50  B10R1.29  Cc1ncsc1NCCS f0c2ec1de0530025d1d55dfda9076b20 [0,2,0,0,0,0|0,0,2]=4
51  B10R1.29  Cc1nnsc1CNC=O 594c0b9e61b4414dc25010c0dab66323 [0,2,0,0,0,0|1,0,1]=4
52  B10R1.29  O=CNCc1scnc1Br 753bb045494b8ca281cd77cd4574b1dc [0,2,0,0,0,0|1,0,1]=4
53  B10R1.64  CC(=O)Nc1scnc1C d9c5db1d555c273edf064ea3f50fb573 [0,2,0,0,0,0|0,0,1]=3
54  B10R1.64  Cc1ncsc1NC(C)C d83ee4be5b5cd699a0352cb1a444d69f [0,2,0,0,0,0|0,0,2]=4