0 B7R0.4 C=C(F)CCCCO 102348 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 C=CCCCC(=O)O 102353 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CC(=O)OC\C=C/Br 103141 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CCO\C=C\C(=O)O 103160 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 O=[N+]([O-])OCCCBr 22206 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 CCCN[N+](=O)[O-] 22283 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.6 CCC#CCCC 102645 [1,0,0,0,0,0|0,0,3]=4 7 B6R0.6 COCOCCCl 100854 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 C\C=C/CCCO 102707 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.6 CCCCCC(O)CF 100185 [0,1,0,0,0,0|0,0,2]=3 10 B8R0.6 CCN\C=C\C(=O)OC 13304 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.6 COC(=O)CCCCO 102453 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.7 C=C(C)COCCCC 102301 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.7 C=CCCCOC(C)=O 102329 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.7 CCCC\C=C\C(=O)O 16793 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.7 CCCC\C=C\C(=O)[O-] 12809 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.9 COC(=O)CNC(C)=O 22216 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.28 C=C(F)CCCC(=O)O 102358 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.28 CC(C)\C=C\CC(=O)O 16794 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.28 O=C(O)CCCC(=O)O 20751 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.1 O=C1CC[C@H](CBr)N1 22002 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.1 O=C1CC[C@H](CBr)O1 21988 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.1 [NH3+]C[C@H]1CCC(=O)O1 21998 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.4 CC1=CC(=O)CCC1 19984 [0,0,0,1,0,0|0,0,2]=3 24 B8R1.4 O=C1C=C(O)CCC1 19981 [0,0,0,1,0,0|1,0,2]=4 25 B7R0.3 C=CC(C)CCCC 102712 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.1 CCCCC\C=C\I 102635 [1,1,0,0,0,0|0,0,1]=3 27 B7R0.1 C\C=C/CCCCC 102713 [1,1,0,0,0,0|0,0,0]=2 28 B7R0.1 C\C=C/CCCCO 102708 [1,1,0,0,0,0|0,0,1]=3 29 B9R0.6 CCCC(O)C(C)C(C)O 19503 [0,2,0,0,0,0|0,0,2]=4 30 B9R0.5 CCCCCC(C)CC=O 21557 [0,2,0,0,0,0|0,0,1]=3 31 B9R0.46 CCCCCCC(=O)NN 841 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.47 CCCCCC(O)C(=O)O 12808 [0,2,0,0,0,0|1,0,0]=3 33 B9R0.2 CCC#CCCOC(C)=O 102447 [0,2,0,0,0,0|0,0,1]=3 34 B9R0.2 CCCCCC\C=C(\C)I 102863 [0,2,0,0,0,0|1,0,0]=3 35 B9R0.2 CCCCC\C=C/C(C)C 100783 [0,2,0,0,0,0|1,0,1]=4 36 B9R0.2 CCCCC\C=C\C(C)C 100780 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.2 O=C(O)CCCCCCBr 102846 [0,2,0,0,0,0|1,0,0]=3 38 B9R0.48 CCCC(O)CCC(=O)[O-] 12807 [0,2,0,0,0,0|1,0,0]=3 39 B9R0.48 CCCC(O)CCC(=O)[O-] 12810 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.55 C=C(F)CCCOC(C)=O 102339 [0,2,0,0,0,0|0,0,2]=4 41 B9R0.3 CCCCC(O)C(C)(C)C 102660 [0,2,0,0,0,0|1,0,1]=4 42 B7R1.3 FC1CCCCC1 102292 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.3 O=C1C=CCCC1 19980 [1,0,0,1,0,0|0,0,2]=4 44 B7R1.4 CC1=CCCC1=O 16116 [1,0,0,1,0,0|0,0,2]=4 45 B7R1.4 CC1CC=CC1=O 16115 [1,0,0,1,0,0|0,0,2]=4 46 B9R1.7 [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,1,0,1,0,0|1,0,0]=3 47 B9R1.1 COC1CCC(=O)CC1 11320 [0,1,0,1,0,0|1,0,0]=3 48 B9R1.2 CNC1=CC(=O)CCC1 13308 [0,1,0,1,0,0|0,0,2]=4 49 B9R1.40 C[C@@]1(Cl)CCCC[C@@H]1O 19439 [0,1,0,1,0,0|1,0,1]=4