0  B6R0.1  CCC(C)CNC F8889-4114 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.1  CCNC(=O)CBr F3310-0889 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.1  CCS(=O)CCN F2147-1018 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.1  COCC(N)CO F8888-1239 [0,0,0,0,0,0|2,1,1]=4
4  B5R0.1  CNCC(N)=O F8880-4275 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.1  COCC(N)=O F1913-0020 [1,0,0,0,0,0|1,1,0]=3
6  B7R0.3  COC(=O)NCCN F8882-3539 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.11  CCC(C)(C)CNC F8886-6876 [0,1,0,0,0,0|2,0,1]=4
8  B7R0.12  CCC(CC)CNC F1911-1751 [0,1,0,0,0,0|2,0,1]=4
9  B7R1.1  CCC1CCCN1 F8880-6440 [0,0,0,1,0,0|2,0,1]=4
10  B7R1.1  CCC1CCCN1 F8888-3269 [0,0,0,1,0,0|2,0,1]=4
11  B7R1.1  CCC1CCNC1 F8881-7172 [0,0,0,1,0,0|2,0,1]=4
12  B7R1.1  CCC1CCNC1 F8887-6136 [0,0,0,1,0,0|2,0,1]=4
13  B7R1.1  CNC1CCSC1 F2158-1845 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.2  NC1CNC(=O)C1 F2158-1004 [0,0,0,1,0,0|3,0,0]=4
15  B7R1.3  NC1=NCCSC1 F2155-0023 [0,0,0,1,0,0|2,0,0]=3
16  B7R1.4  CC1CCCC1N F8888-6869 [0,0,0,1,0,0|2,0,1]=4
17  B7R1.4  O=C1CCCC1Br F8888-2301 [0,0,0,1,0,0|2,0,0]=3
18  B6R0.2  CC(=O)CC(C)N F1791-1136 [1,1,0,0,0,0|1,0,0]=3
19  B6R0.2  CC(=O)CC(C)N F1997-0017 [1,1,0,0,0,0|1,0,0]=3
20  B6R0.4  C=C(C)CCCBr F1913-0542 [1,1,0,0,0,0|2,0,0]=4
21  B6R0.4  C=C(C)CCCO F1913-0541 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.6  CCOCCNC F8880-1014 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.2  CCC(Br)C(=O)N(C)C F1913-0281 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.2  COC(=O)C(Cl)C(C)C F8882-8699 [0,2,0,0,0,0|2,0,0]=4
25  B8R0.5  CCCC(=O)NC(C)C F3310-1187 [0,2,0,0,0,0|1,0,0]=3
26  B8R0.23  CC(=O)CC(=O)C(C)C F8887-7353 [0,2,0,0,0,0|1,0,0]=3
27  B8R0.3  CCOC(=O)N(C)OC F1903-0372 [0,2,0,0,0,0|1,1,0]=4
28  B8R0.8  CC(C)C(=O)NCCN F8889-0178 [0,2,0,0,0,0|2,0,0]=4
29  B8R0.30  CCCS(=O)(=O)CCCl F0907-4175 [0,2,0,0,0,0|2,0,0]=4
30  B6R1.2  NC1CCSC1 F2147-1613 [1,0,0,1,0,0|1,0,1]=4
31  B6R1.6  CCC1CNC1 F8881-5075 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.18  CN1CC(N)CC1=O F2147-0202 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.40  NCC(=O)NC1CC1 F2158-0297 [0,1,0,1,0,0|2,0,0]=4
34  B8R1.51  CC1(C)COC(=O)C1 F1913-2916 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.3  O=C1CCC(O)CN1 F1911-5594 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.3  O=C1CC[C@H](O)CN1 F1911-5595 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.22  CC1CNCCSC1 F2147-1411 [0,1,0,1,0,0|1,0,1]=4
38  B8R1.50  CN1CCC(N)C1=O F1905-0252 [0,1,0,1,0,0|2,0,0]=4
39  B8R1.37  CSCC(N)C1CC1 F2147-8202 [0,1,0,1,0,0|1,0,1]=4
40  B8R1.8  CSCC1CCCN1 F2167-0496 [0,1,0,1,0,0|1,0,1]=4
41  B8R1.11  O=C1CCCN1CCl F0861-0039 [0,1,0,1,0,0|2,0,0]=4