0 B10R0.4 CCCCCCCCC(=O)[O-] DY740629 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.4 CCCCCCCCC(C)C NO21688 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 CC(=O)NCCOCCN DY790167 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.2 CC(=O)OCCOCCO DY739493 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.2 CCCCCCOC(=O)Cl NO11449 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.2 CCCCC\C=C\B(O)O DY707005 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 COCCCCCC(=O)O DY603806 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 NCCCCCCC(=O)O NO10138 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 O=C(O)CCCCCCO NO10820 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 CCCCCCCCNC NO15827 [1,0,0,0,0,0|1,0,2]=4 10 B11R0.2 CCCCCCC(C)CC(=O)O DY112332 [0,1,0,0,0,0|1,0,2]=4 11 B11R0.42 C=C(C)C(=O)OCCCCCC DY522723 [0,1,0,0,0,0|2,0,0]=3 12 B11R0.148 CCCCCCCCOC(=O)Cl DY461292 [0,1,0,0,0,0|1,0,2]=4 13 B11R0.148 CCCCCCC\C=C\C(=O)O DY424008 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.53 CC(=O)N1CCCCC1CN DY632552 [0,0,0,1,0,0|2,0,1]=4 15 B11R1.78 CCCCCCC1CC(=O)C1 DY822476 [0,0,0,1,0,0|0,0,2]=3 16 B11R1.86 CC1CCCCN1CC(=O)O DY635076 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.90 CN1CCC[C@@H]1\C=C\C(=O)O DY542379 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.91 CC(=O)CCN1CCCCC1 DY638438 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.91 CC(=O)NCC1CCCCN1 DY641678 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.91 O=C(O)C#CC1CCCCC1 NO16585 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.91 O=C(O)CCC1CCCCC1 DY567957 [0,0,0,1,0,0|1,0,2]=4 22 B11R1.91 O=C(O)COC1CCCCC1 DY568815 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.143 CC(=O)N1CCNCC[C@H]1C DY743707 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.172 O=C(O)\C=C\CN1CCCC1 DY574233 [0,0,0,1,0,0|2,0,0]=3 25 B8R0.4 C=CCCCCCCO DY740623 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.7 CCCCCCC(=O)O DY822462 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 CCCCCC[C@H](C)O DY626179 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.7 CSCCCCC(=O)O DY112374 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.7 NCCCCCC(=O)O NO13381 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.7 O=C(O)CCCCCBr NO18405 [2,0,0,0,0,0|2,0,0]=4 31 B10R0.74 CCCCCCCC(=O)NO NO11097 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.74 COC(=O)CCCCCCN NO14288 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.74 COC(=O)CCCCCCO DY524613 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.91 CCCCCC(=O)\C=C\C=O DY503457 [1,1,0,0,0,0|0,0,1]=3 35 B10R0.91 CCCCCC(O)\C=C\C=O DY570585 [1,1,0,0,0,0|0,0,0]=2 36 B12R0.248 CCCCCCCCCC(=O)OC DY506166 [0,2,0,0,0,0|0,0,2]=4 37 B12R0.234 O=C(O)\C=C\CCCCCCCO NO13683 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(=O)CC1CCNCC1 DY585280 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.18 CC(=O)N[C@@H]1CCCNC1 DY622929 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.18 O=C(O)CC1CCCCC1 NO10565 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.61 CC(=O)C1CCCCN1C DY559923 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.61 CC(=O)N1CCOC[C@H]1C DY514779 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.66 O=C(Cl)CCC1CCCC1 DY20931 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.66 O=C(O)\C=C\C1CCCC1 DY509390 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.348 CC(=O)N1CCCNCC1 DY563703 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.21 CCCCCc1cccs1 DY585146 [1,0,0,1,0,0|0,1,1]=4 47 B12R1.7 CCCCCC[N+]1=CN(C)C=C1 DY555483 [0,1,0,1,0,0|2,0,0]=4 48 B12R1.107 C\C(=C/C(=O)O)C1CCCCC1 DY544431 [0,1,0,1,0,0|1,0,0]=3 49 B12R1.43 C=C(C)C(=O)OC1CCCCC1 DY790107 [0,1,0,1,0,0|2,0,0]=4 50 B12R1.252 O=C(Cl)\C=C\CN1CCCCC1 DY775059 [0,1,0,1,0,0|1,0,0]=3 51 B12R1.252 O=C(O)\C=C\CN1CCOCC1 DY732631 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.1661 CC(=O)SC1CC2CCC1C2 DY578973 [0,0,0,2,0,0|1,0,1]=4 53 B12R2.22 O=C1CC(C2CCCCC2)N1 DY719812 [0,0,0,2,0,0|1,0,1]=4