0  B7R0.1  C=CCCCCCCl 5718AC [0,0,0,0,0,0|2,0,1]=3
1  B7R0.1  C=CCCCN=C=S 8121AL [0,0,0,0,0,0|0,0,0]=0
2  B7R0.1  C=CCNCC#CC 3523AE [0,0,0,0,0,0|3,0,1]=4
3  B7R0.1  C=CCOCCCC 7029AL [0,0,0,0,0,0|3,0,1]=4
4  B7R0.1  O=CCCCCCCl Y9332 [0,0,0,0,0,0|3,0,1]=4
5  B6R0.6  C#CCNCC=C 9621AC [1,0,0,0,0,0|2,0,1]=4
6  B6R0.6  C=CCCCC#N 6777AL [1,0,0,0,0,0|1,0,1]=3
7  B6R0.6  C=CCCCCI 0232AQ [1,0,0,0,0,0|1,0,1]=3
8  B6R0.6  C=CCCN=C=S 8120AL [1,0,0,0,0,0|0,0,0]=1
9  B6R0.6  C=CCC\C=C\C 4658AL [1,0,0,0,0,0|1,0,2]=4
10  B6R0.6  C=CCNCC=C 6733AE [1,0,0,0,0,0|2,0,1]=4
11  B6R0.6  C=CCOCC=C 7030AL [1,0,0,0,0,0|2,0,1]=4
12  B6R0.6  C=CCSCCC R577 [1,0,0,0,0,0|2,0,1]=4
13  B6R0.6  C=COCCCN 0206AC [1,0,0,0,0,0|2,0,1]=4
14  B6R0.6  COCCN=C=O 3069AE [1,0,0,0,0,0|1,1,1]=4
15  B6R0.6  S=C=NCCCBr 9053AD [1,0,0,0,0,0|1,0,0]=2
16  B8R0.4  C=CCCCCCCC 8130AF [0,1,0,0,0,0|2,0,1]=4
17  B8R0.4  CCCCCC\C=C\I 0029AQ [0,1,0,0,0,0|2,0,1]=4
18  B8R0.4  C\C=C\CCCCCC 9212AL [0,1,0,0,0,0|2,0,1]=4
19  B8R0.6  C=CCCCC(=O)OC 6778AL [0,1,0,0,0,0|3,0,0]=4
20  B8R0.7  C=C(C)CCCCCCl 6449AD [0,1,0,0,0,0|2,0,1]=4
21  B8R0.7  CN(C)CCCN=C=S 8962AD [0,1,0,0,0,0|1,0,1]=3
22  B8R1.2  C=CC1CCCCC1 Z3463 [0,0,0,1,0,0|2,0,1]=4
23  B8R1.8  C=CCC1CCCC1 1184AQ [0,0,0,1,0,0|2,0,1]=4
24  B8R1.49  C1=CCCCCC=C1 1372AQ [0,0,0,1,0,0|2,0,1]=4
25  B8R1.49  C1=CCCCCC=C1 7920AF [0,0,0,1,0,0|2,0,1]=4
26  B5R0.2  C=CCCCN 7616AH [2,0,0,0,0,0|0,0,1]=3
27  B5R0.2  C=CCOCC 5601AE [2,0,0,0,0,0|1,0,1]=4
28  B5R0.2  COCN=C=S 6701AD [2,0,0,0,0,0|1,0,0]=3
29  B7R0.4  C=C(C)CCCCC 5698AL [1,1,0,0,0,0|1,0,1]=4
30  B7R0.4  C=CCCCB(O)O X0893 [1,1,0,0,0,0|1,1,0]=4
31  B7R0.4  CC(C)CCN=C=O 5158AD [1,1,0,0,0,0|0,1,1]=4
32  B9R0.5  CCCCCC(C)N=C=S 7366AD [0,2,0,0,0,0|0,0,2]=4
33  B9R0.5  CCCCC[C@@H](C)N=C=S Y9953 [0,2,0,0,0,0|0,0,2]=4
34  B9R0.5  CCCCC[C@H](C)N=C=S Y9954 [0,2,0,0,0,0|0,0,2]=4
35  B9R0.18  S=C=NCC(Cl)CCCCl 2036AE [0,2,0,0,0,0|0,0,2]=4
36  B7R1.1  C=CC1CCCC1 9406AL [1,0,0,1,0,0|1,0,1]=4
37  B7R1.3  CC1C=CCCC1 6090AL [1,0,0,1,0,0|1,0,1]=4
38  B7R1.6  S=C=NC1CCC1 6570AE [1,0,0,1,0,0|0,0,1]=3
39  B7R1.24  C1=CCCCCC1 7508AL [1,0,0,1,0,0|1,0,1]=4
40  B9R1.12  S=C=NCC1=CC=CO1 4029AE [0,1,0,1,0,0|0,0,2]=4