0  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|1,0,2]=4
1  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,0]=3
2  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.2  COCC#N CM13130 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.3  CCC(C(=O)N)N CM11025 [0,1,0,0,0,0|1,0,0]=2
5  B6R1.2  C1COCC1Br CM10289 [0,0,0,1,0,0|1,0,2]=4
6  B6R1.6  C1C(CN1)C#N CM14240 [0,0,0,1,0,0|2,0,1]=4
7  B6R1.6  C1C(CO1)CN CM14243 [0,0,0,1,0,0|1,0,2]=4
8  B6R1.6  C1C(CO1)CO CM14247 [0,0,0,1,0,0|1,0,2]=4
9  B6R1.6  C1CC(C1)CBr CM14105 [0,0,0,1,0,0|1,0,1]=3
10  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
11  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.1  CC(CCO)N CM14429 [1,1,0,0,0,0|1,0,0]=3
13  B5R0.4  CC(C)(C)C#N CM14136 [1,1,0,0,0,0|1,0,1]=4
14  B5R0.4  CC(C)(C)C=O CM10011 [1,1,0,0,0,0|0,0,0]=2
15  B5R0.4  CC(C)(CN)N CM11082 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.4  CC(C)(CN)S CM13886 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,0]=3
18  B5R0.2  C(CC#N)CBr CM12994 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.13  C[C@@](CS)(C(=O)O)N CM11024 [0,2,0,0,0,0|1,0,0]=3
20  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|1,0,1]=4
21  B5R1.2  C1C(CN1)F CM14271 [1,0,0,1,0,0|2,0,0]=4
22  B5R1.2  C1C(CN1)O CM14096 [1,0,0,1,0,0|1,0,1]=4
23  B5R1.2  C1C(CO1)I CM14229 [1,0,0,1,0,0|2,0,0]=4
24  B5R1.2  C1C(CO1)N CM14221 [1,0,0,1,0,0|2,0,0]=4
25  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|1,0,1]=4
26  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|0,0,1]=3
27  B5R1.3  C1CC1CBr CM13343 [1,0,0,1,0,0|1,0,1]=4
28  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.1  C1CCC(C1)C#N CM13026 [0,1,0,1,0,0|1,0,1]=4
30  B7R1.18  C1C(CN1)C(=O)N CM14241 [0,1,0,1,0,0|1,0,0]=3
31  B7R1.18  C1C(CN1)C(=O)N CM14242 [0,1,0,1,0,0|1,0,0]=3
32  B7R1.18  C1C(CN1)C(=O)O CM14218 [0,1,0,1,0,0|1,0,0]=3
33  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|0,0,0]=2