0 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,0,0,0,0,0|1,0,2]=3 1 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 CCCCCCCCC(C)C Z5044 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.4 CCCCCCCCC(C)O 5773AF [0,0,0,0,0,0|0,0,4]=4 4 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,0,0,0,0,0|2,0,1]=3 5 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,0,0,0,0,0|0,0,0]=0 6 B9R0.2 CC(=O)OCCOCCCl 6974AA [1,0,0,0,0,0|3,0,0]=4 7 B9R0.2 CCCCCCCC(C)C 5737AL [1,0,0,0,0,0|1,0,2]=4 8 B9R0.2 CCCCCCCC(N)=O 7980AF [1,0,0,0,0,0|1,0,1]=3 9 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [1,0,0,0,0,0|1,0,1]=3 10 B9R0.2 CCCCCCOC(C)=O 7968AF [1,0,0,0,0,0|1,0,0]=2 11 B9R0.2 NCCCCCCC(=O)O X4768 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.45 CCC#CCCCCCC 5747AF [1,0,0,0,0,0|0,0,3]=4 13 B9R0.45 CCCCCC\C=C/CO 7426AL [1,0,0,0,0,0|0,0,2]=3 14 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,1,0,0,0,0|0,0,2]=3 15 B11R0.148 CCCCCCC\C=C\B(O)O N975 [0,1,0,0,0,0|2,0,1]=4 16 B11R0.148 CCCCCCC\C=C\C(=O)O 4127AH [0,1,0,0,0,0|1,0,0]=2 17 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,1,0,0,0,0|1,0,2]=4 18 B11R0.148 CCCCOCCOCC(=O)O 4029AL [0,1,0,0,0,0|2,0,1]=4 19 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,0,0,1,0,0|1,0,1]=3 21 B11R1.91 CC(=O)NCC1CCCNC1 2720AF [0,0,0,1,0,0|2,0,1]=4 22 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [0,0,0,1,0,0|1,0,1]=3 23 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,0,0,1,0,0|2,0,1]=4 24 B8R0.4 CCCCCCON=O 8053AL [2,0,0,0,0,0|2,0,0]=4 25 B8R0.4 CC\C=C/CCCCO 7454AL [2,0,0,0,0,0|1,0,1]=4 26 B8R0.7 CC(=O)NCCCCN 8335AL [2,0,0,0,0,0|2,0,0]=4 27 B8R0.7 CC(=O)OCCCCBr 7492AF [2,0,0,0,0,0|2,0,0]=4 28 B8R0.7 CCCCCCC(=O)[O-] 7832AL [2,0,0,0,0,0|1,0,0]=3 29 B8R0.7 CCCCCCC(C)O Z6063 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.7 CCCC\C=C\C(C)=O 6146AL [2,0,0,0,0,0|0,0,0]=2 31 B8R0.7 NC(=O)CCCCCBr 8542AB [2,0,0,0,0,0|2,0,0]=4 32 B8R0.7 NCCCCCC(=O)O 5982AB [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 O=C(Cl)CCCCCBr 5957AH [2,0,0,0,0,0|2,0,0]=4 34 B10R0.22 CCCCCCOS(C)(=O)=O 8051AL [1,1,0,0,0,0|2,0,0]=4 35 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [1,1,0,0,0,0|1,0,1]=4 36 B10R0.74 COC(=O)CCCCCCBr W6840 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.74 COC(=O)CCCCCCN W3908 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [1,1,0,0,0,0|1,0,1]=4 39 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [1,1,0,0,0,0|1,0,1]=4 40 B10R0.1 CCCCCCC(=O)CCC 9409AB [1,1,0,0,0,0|0,0,2]=4 41 B10R0.71 CCCCCCCCNC=O 8620AL [1,1,0,0,0,0|0,0,2]=4 42 B12R0.248 COC(=O)CCCCCCCCO Y1474 [0,2,0,0,0,0|0,0,2]=4 43 B12R0.234 CCCCCCCCCOC(C)=O 5905AF [0,2,0,0,0,0|0,0,2]=4 44 B12R0.234 CC\C=C/CCCCCOC(C)=O 6988AL [0,2,0,0,0,0|1,0,1]=4 45 B10R1.10 CCCC1CCCC(=O)O1 R377 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.18 CC(=O)NC1CCCNC1 8592AB [1,0,0,1,0,0|2,0,0]=4 47 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|0,0,1]=3 48 B10R1.21 CCCCCC1=CC=CO1 4832AB [1,0,0,1,0,0|0,0,2]=4 49 B12R1.7 CCCCCCN1C=C[N+](C)=C1 4879AL [0,1,0,1,0,0|2,0,0]=4 50 B12R1.7 CCCCCCN1C=C[N+](C)=C1 5131AJ [0,1,0,1,0,0|2,0,0]=4 51 B12R1.1 CCCCCC1CC=C(Br)CC1 Z6636 [0,1,0,1,0,0|1,0,1]=4 52 B12R1.77 CCC1CCCCN1C(=O)CCl 9408AE [0,1,0,1,0,0|1,0,1]=4 53 B12R1.28 CCCCCC1=CC=CC(=O)O1 6874AL [0,1,0,1,0,0|1,0,1]=4 54 B12R2.24 O=C1CCC2=C(CCCC2)N1 0787AQ [0,0,0,2,0,0|1,0,1]=4