0  B6R0.4  CSCCC(C)=O F0001-0996 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.6  CC\C=C\CCO F0001-2233 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.9  COC(=O)CCC(=O)O F1107-0326 [0,1,0,0,0,0|3,0,0]=4
3  B8R1.1  O=C1CC[C@H](CO)N1 F9995-1839 [0,0,0,1,0,0|2,0,1]=4
4  B8R1.5  CC1CCCNC1=O F1913-7611 [0,0,0,1,0,0|1,0,2]=4
5  B8R1.5  CN1C=CC=CC1=O F0001-1804 [0,0,0,1,0,0|2,0,1]=4
6  B8R1.22  O=C1CCNCCN1 F2158-1556 [0,0,0,1,0,0|2,0,1]=4
7  B8R1.22  O=C1CCNCCN1 F8880-3444 [0,0,0,1,0,0|2,0,1]=4
8  B8R1.22  O=C1CCOCCN1 F8881-7824 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.22  O=C1CCSCCN1 F2147-1376 [0,0,0,1,0,0|2,0,1]=4
10  B5R0.2  CCCCC=O F2190-0583 [2,0,0,0,0,0|1,0,1]=4
11  B5R0.2  CCSCCN F2147-1017 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.3  CNC(=O)CBr F3310-0893 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.3  CNC(=O)CS F8886-4364 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.3  O=C(CO)CO F0001-2767 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.2  CCC(=O)CC(C)=O F8880-5203 [1,1,0,0,0,0|0,0,1]=3
16  B7R0.2  CNC(=O)CC(C)=O F0001-0716 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.2  COC(=O)CC(C)=O F0001-0105 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.5  CC(C)C(=O)CC#N F2108-0263 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.7  CCCC(=O)OCC F0001-0107 [1,1,0,0,0,0|0,0,2]=4
20  B7R0.7  CCOC(=O)CCS F0001-1439 [1,1,0,0,0,0|0,1,1]=4
21  B7R0.4  C=CCCCC(=O)O F1913-3310 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.1  C=CCCCCCCl F0001-2234 [1,1,0,0,0,0|1,0,1]=4
23  B7R1.1  OCC1=NC=CS1 F1160-0003 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.2  O=C1CCC(=O)C1 F0001-1098 [1,0,0,1,0,0|1,0,0]=3
25  B7R1.2  O=C1CNC(=O)C1 F2147-2476 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.4  CC1CCCC1=O F9995-1299 [1,0,0,1,0,0|0,0,2]=4
27  B9R1.35  O=C1CC[C@H](C(=O)O)N1 F0001-2478 [0,1,0,1,0,0|2,0,0]=4