0  B5R0.3  CO[C@@H](C)CN BB0220352 [0,0,0,0,0,0|4,0,0]=4
1  B5R0.3  CO[C@@H](C)CN BB0290080 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.3  CO[C@@H](C)CO BB0262966 [0,0,0,0,0,0|3,0,0]=3
3  B4R0.1  CC(C)NN BB0218180 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  C\C(N)=N\O BB0241915 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  NCC(=O)O BB0265974 [1,0,0,0,0,0|1,0,2]=4
6  B4R0.2  CCCNN BB0220585 [1,0,0,0,0,0|3,0,0]=4
7  B4R0.2  COCCO BB0268028 [1,0,0,0,0,0|2,0,0]=3
8  B4R0.2  OCCCF BB0268117 [1,0,0,0,0,0|1,0,0]=2
9  B6R0.3  CC(C)[C@@H](N)CO BB0262988 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.3  N[C@@H](CO)C(=O)O BB0282131 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.3  N[C@@H](CS)C(=O)O BB0282130 [0,1,0,0,0,0|1,1,1]=4
12  B6R0.9  CC[C@@H](CN)OC BB0220580 [0,1,0,0,0,0|2,0,0]=3
13  B6R0.9  CC[C@@H](CN)OC BB0290081 [0,1,0,0,0,0|2,0,0]=3
14  B6R0.9  COC(CN)OC BB0268271 [0,1,0,0,0,0|3,0,0]=4
15  B6R1.2  N[C@H]1CCOC1 BB0261198 [0,0,0,1,0,0|2,0,0]=3
16  B6R1.2  O=C1CCOC1 BB0268417 [0,0,0,1,0,0|1,0,2]=4
17  B6R1.6  OCC1CNC1 BB0262899 [0,0,0,1,0,0|2,0,0]=3
18  B3R0.2  C=[N+](C)C BB0263006 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.4  CC(C)(C)CN BB0270519 [1,1,0,0,0,0|2,0,0]=4
20  B5R0.4  CC(C)(N)CO BB0266931 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.4  CC(C)(O)CN BB0237226 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.2  C=CCCCN BB0270548 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.3  CCOC[C@@H](O)CN BB0269939 [0,2,0,0,0,0|1,0,0]=3
24  B5R1.2  O=C1COC1 BB0263332 [1,0,0,1,0,0|0,0,2]=4
25  B7R1.1  OCC1=NCCO1 BB0265899 [0,1,0,1,0,0|1,0,1]=4
26  B7R1.1  OCC1CCCC1 BB0221114 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.1  OC[C@H]1CCCN1 BB0260416 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.3  NC1CCOCC1 BB0268116 [0,1,0,1,0,0|2,0,0]=4
29  B7R1.3  N[C@H]1CCCOC1 BB0219939 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.3  O[C@H]1CCCNC1 BB0268278 [0,1,0,1,0,0|2,0,0]=4
31  B7R1.4  NC1CSCC1O BB0251175 [0,1,0,1,0,0|1,1,0]=4
32  B7R1.4  N[C@@H]1COC[C@@H]1N BB0267322 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.4  N[C@H]1COC[C@@H]1N BB0267321 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.23  CC1(C)C[C@@H]1CO BB0262896 [0,1,0,1,0,0|2,0,0]=4