0 B11R0.40 CCCCCCCCC(O)CO 12680 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.4 C=CCCCCCCC(=O)O 27146 [1,0,0,0,0,0|0,0,2]=3 2 B10R0.4 CCCCCCCCB(O)O 29487 [1,0,0,0,0,0|1,0,1]=3 3 B10R0.4 CCCCCCCCN(C)C 35306 [1,0,0,0,0,0|2,0,0]=3 4 B10R0.4 NCCCCCCCC(=O)O 13165 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.4 NCCOCCOCC(=O)O 33692 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.71 CCCCCCCCCCBr 2457 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.71 CCCCCCCCCCI 3942 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.74 CCCCCC#CC(=O)OC 45055 [1,0,0,0,0,0|0,0,2]=3 9 B12R0.248 CCCCCCCCOC(=O)CN 12487 [0,1,0,0,0,0|2,0,0]=3 10 B12R0.248 COC(=O)CCCCCCCCO 18968 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.1 CCCCCC1CCC(O)CC1 20385 [0,0,0,1,0,0|1,0,2]=4 12 B9R0.2 CC(=O)OCCCCCCl 3676 [2,0,0,0,0,0|2,0,0]=4 13 B9R0.2 CCCCCCCC(=O)[O-] 12870 [2,0,0,0,0,0|0,0,1]=3 14 B9R0.45 CCCCCCCCCBr 3809 [2,0,0,0,0,0|1,0,1]=4 15 B9R0.45 CCCCCCCCCI 3958 [2,0,0,0,0,0|1,0,1]=4 16 B9R0.45 OCCCCCCCCO 36148 [2,0,0,0,0,0|1,0,1]=4 17 B9R0.46 COC(=O)CCCCCBr 16910 [2,0,0,0,0,0|1,0,0]=3 18 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [1,1,0,0,0,0|1,0,1]=4 19 B11R0.147 CCCCC(O)CCCC(=O)O 9714 [1,1,0,0,0,0|0,0,0]=2 20 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [1,1,0,0,0,0|0,0,1]=3 21 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [1,1,0,0,0,0|0,0,2]=4 22 B11R0.148 COCCOCCOCC(=O)O 31987 [1,1,0,0,0,0|2,0,0]=4 23 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 25501 [1,1,0,0,0,0|1,0,1]=4 24 B11R0.3 CCCCCCCCCCCBr 3840 [1,1,0,0,0,0|1,0,1]=4 25 B11R0.3 CCCCCCCCCCCO 35937 [1,1,0,0,0,0|1,0,1]=4 26 B11R0.106 COC(=O)CCCCC(=O)OC 35801 [1,1,0,0,0,0|1,0,1]=4 27 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl 36161 [0,2,0,0,0,0|1,0,0]=3 28 B11R1.90 O=C(O)CCC1NCCC1O 24474 [1,0,0,1,0,0|2,0,0]=4 29 B11R1.90 O=C(O)CC[C@@H]1NCC[C@@H]1O 24473 [1,0,0,1,0,0|2,0,0]=4 30 B11R1.90 O=C(O)CC[C@@H]1NCC[C@H]1O 24472 [1,0,0,1,0,0|2,0,0]=4 31 B11R1.90 O=C(O)CC[C@H]1NCC[C@@H]1O 24470 [1,0,0,1,0,0|2,0,0]=4 32 B11R1.90 O=C(O)CC[C@H]1NCC[C@H]1O 24471 [1,0,0,1,0,0|2,0,0]=4 33 B11R1.91 CC(=O)CCN1CCOCC1 15916 [1,0,0,1,0,0|2,0,0]=4 34 B11R1.91 O=C(O)CCC1CCCCC1 20248 [1,0,0,1,0,0|0,0,0]=2 35 B11R1.91 O=C(O)CCC1CCNCC1 19136 [1,0,0,1,0,0|1,0,0]=3 36 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [1,0,0,1,0,0|1,0,0]=3 37 B11R1.172 O=C(O)CCCN1CCCC1 23548 [1,0,0,1,0,0|1,0,0]=3 38 B11R1.742 O=C(O)CC1CCCCCC1 16200 [1,0,0,1,0,0|0,0,0]=2 39 B11R1.40 COC(=O)CC1CCCCC1 20243 [1,0,0,1,0,0|0,0,0]=2 40 B11R1.40 COC(=O)CC1CCCNC1 11376 [1,0,0,1,0,0|1,0,0]=3 41 B11R1.40 COC(=O)CC1CCNCC1 14078 [1,0,0,1,0,0|1,0,0]=3 42 B11R1.40 COC(=O)CC1CCNCC1 14079 [1,0,0,1,0,0|1,0,0]=3 43 B11R1.40 COC(=O)CC1COCCN1 24086 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.40 COC(=O)C[C@@H]1CCCNC1 11381 [1,0,0,1,0,0|1,0,0]=3 45 B11R1.40 COC(=O)C[C@@H]1COCCN1 17872 [1,0,0,1,0,0|2,0,0]=4 46 B11R1.40 COC(=O)C[C@H]1CCCNC1 11385 [1,0,0,1,0,0|1,0,0]=3 47 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N 19309 [1,0,0,1,0,0|2,0,0]=4 48 B13R1.718 COC(=O)NCCN1CCNCC1 12269 [0,1,0,1,0,0|2,0,0]=4