0  B11R1.230  CC1CC(C(=O)O1)SCCO Z292822142 [0,0,0,0,0,0|2,0,2]=4
1  B11R1.230  CCCCN1N=C(CC1=O)C Z86211502 [0,0,0,0,0,0|3,0,1]=4
2  B10R1.16  CCCCC1=NOC(=C1)N Z360168704 [1,0,0,0,0,0|2,0,1]=4
3  B10R1.16  CCNCC1=CN(N=C1)C Z803145296 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.16  CN1C=C(C=N1)CCCN Z851015102 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.16  CN1C=C(C=N1)CCCO Z992949588 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.29  CCCCC1CCCC1=O Z813018296 [1,0,0,0,0,0|1,0,2]=4
7  B10R1.29  CNCCN1CCOC1=O Z1436181417 [1,0,0,0,0,0|2,0,1]=4
8  B10R1.29  CSCCN1CCOC1=O Z1526456203 [1,0,0,0,0,0|2,0,1]=4
9  B10R1.29  NCCCC1CCOC1=O Z2752915920 [1,0,0,0,0,0|1,0,2]=4
10  B10R1.29  NCCCN1CCOC1=O Z323040308 [1,0,0,0,0,0|2,0,1]=4
11  B10R1.29  O=C1OCCN1CCCBr Z381035662 [1,0,0,0,0,0|2,0,1]=4
12  B10R0.19  CCCNC(C)C(=O)OCC Z1881599663 [0,0,1,0,0,0|1,0,2]=4
13  B10R0.19  CCOC(=O)C(N)CCOC Z3048294005 [0,0,1,0,0,0|2,0,1]=4
14  B10R0.19  CCOC(=O)C(O)CCSC Z965048236 [0,0,1,0,0,0|2,0,1]=4
15  B10R0.19  CCOCC(N)C(=O)OCC Z3445798186 [0,0,1,0,0,0|2,0,1]=4
16  B12R1.69  CCCCN1C=CC(=NC1=O)C Z1983324086 [0,0,0,0,0,1|2,0,1]=4
17  B9R0.5  CCCCNC(=O)CCC Z31763357 [1,0,1,0,0,0|2,0,0]=4
18  B9R0.5  CCCNCC(=O)OCC Z235653500 [1,0,1,0,0,0|1,0,1]=4
19  B9R0.5  CCOC(=O)CCCCN Z1741976369 [1,0,1,0,0,0|1,0,1]=4
20  B9R0.8  CCCCC(N)C(=O)OC Z1675167157 [1,0,1,0,0,0|1,0,1]=4
21  B9R0.35  CCOC(=O)C(=O)OCC Z104473164 [1,0,1,0,0,0|2,0,0]=4
22  B9R0.13  CCC(CCOC)C(=O)O Z756391352 [1,0,1,0,0,0|1,0,1]=4
23  B9R0.13  CCCCC(CC)C(=O)N Z394696486 [1,0,1,0,0,0|1,0,1]=4
24  B9R0.13  CCCCC(CC)C(=O)O Z104478072 [1,0,1,0,0,0|0,0,1]=3
25  B9R0.15  CCCC(CCC)C(=O)O Z756391526 [1,0,1,0,0,0|0,0,2]=4
26  B9R1.12  CCNCC1=COC=C1 Z385447452 [2,0,0,0,0,0|1,0,1]=4
27  B9R1.12  NCCCC1=CON=C1 Z3022047352 [2,0,0,0,0,0|2,0,0]=4
28  B9R1.12  OCCCC1=COC=C1 Z1198265634 [2,0,0,0,0,0|1,0,1]=4
29  B11R0.43  CCOC(=O)C(=O)CC(=O)CC Z240869808 [0,1,1,0,0,0|1,0,1]=4
30  B11R0.78  CCCC(CCCCN)C(=O)O Z1993522747 [0,1,1,0,0,0|0,0,2]=4
31  B11R1.27  CCCNCC1=CN(N=C1)C Z90518474 [1,1,0,0,0,0|2,0,0]=4
32  B11R1.27  CN1C=C(C=N1)CCCCN Z1089968110 [1,1,0,0,0,0|2,0,0]=4
33  B11R1.18  CCCCC1=C(SC=C1)C=O Z1511787634 [1,1,0,0,0,0|0,1,1]=4
34  B11R1.180  CNCCCN1CCOC1=O Z3824865743 [1,1,0,0,0,0|1,0,1]=4
35  B11R1.465  CCCCN1C(=O)CNC1=O Z149170082 [1,1,0,0,0,0|2,0,0]=4
36  B13R1.3020  CC(C)CCN1CC(OC1=O)CN Z1569709000 [0,2,0,0,0,0|1,0,1]=4
37  B13R1.6200  CSCCCN1C(=O)CC(C1=O)C Z1526467012 [0,2,0,0,0,0|2,0,0]=4
38  B11R1.77  CC(C)OC(=O)C1CCCC1 Z55022202 [0,0,1,1,0,0|0,0,2]=4
39  B11R1.349  CCOC(=O)C(C)C1CCC1 Z2235405429 [0,0,1,1,0,0|0,0,2]=4
40  B11R1.351  CCOC(=O)/C(=N/C1CC1)/Cl Z1558515307 [0,0,1,1,0,0|2,0,0]=4
41  B11R1.351  CCOC(=O)C(=O)NC1CC1 Z600496144 [0,0,1,1,0,0|2,0,0]=4
42  B11R1.819  CCOC(=O)C1(CCCC1)N Z818732108 [0,0,1,1,0,0|1,0,1]=4
43  B11R1.21  CC1CCC(CC1C)C(=O)O Z1250017822 [0,0,1,1,0,0|0,0,2]=4
44  B11R1.21  CC1CCC(NC1C)C(=O)O Z2350909288 [0,0,1,1,0,0|1,0,1]=4
45  B11R1.193  CCCC1CCCC1C(=O)O Z1434224393 [0,0,1,1,0,0|0,0,2]=4
46  B11R1.193  CCCC1CCNC1C(=O)O Z2217033073 [0,0,1,1,0,0|1,0,1]=4
47  B11R1.706  O=C(O)C1CCCCCCC1 Z792377154 [0,0,1,1,0,0|0,0,2]=4
48  B11R1.706  O=C(O)C1CCCCCCN1 Z1998612770 [0,0,1,1,0,0|1,0,1]=4
49  B11R1.1239  CCOC1(CCCC1)C(=O)O Z803492470 [0,0,1,1,0,0|1,0,1]=4
50  B11R2.3  O=C1OCCC12CCCC2 Z1716391095 [1,0,0,1,0,0|0,0,2]=4
51  B11R2.459  NC1=C(C=NO1)C2CCC2 Z2732449409 [1,0,0,1,0,0|2,0,0]=4
52  B13R2.328  CC1=NC2=C(CCCC2)C(=O)N1 Z57604142 [0,0,0,1,0,1|1,0,1]=4
53  B13R2.2931  CN1N=C(C2=C1CCCC2)C=O Z1198274714 [0,1,0,1,0,0|2,0,0]=4