0 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.3 COC(=O)CCCN T22364 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,0,0,0,0|0,0,2]=3 3 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,0,0,0,0|0,0,3]=4 4 B7R0.4 NCCCCC(O)=O T5089 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 OC(=O)COCCBr T14786 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.24 CNC(=O)CNC(=O)CN T13693 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.24 COC(=O)/C=C/C(=O)OC T0492 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.24 COC(=O)CCC(=O)CN T19421 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.46 COC(=O)CCOCCO T15511 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.2 COc1cccc(C)c1 T21278 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,1,0,0|1,0,2]=4 14 B6R0.6 CC/C=C\CCO T22295 [2,0,0,0,0,0|0,0,1]=3 15 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,2]=4 16 B6R0.6 CCC/C=C/CO TN5162 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 NC/C=C/C(O)=O T23414 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 OC(=O)CCC=C T8032 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.4 OC(=O)CNC=O T4741 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 OC/C=C/C(O)=O T23473 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|0,0,1]=3 28 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.19 COC(=O)CC(=O)OC T5695 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.5 CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.5 CCOC(=O)CC(O)=O T4773 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.5 CCOC(=O)CC([O-])=O T22328 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,1,0,0,0,0|0,0,2]=4 34 B10R0.59 COC(=O)CCCC(=O)OC T20909 [0,2,0,0,0,0|1,0,1]=4 35 B10R0.46 COC(=O)CC(=C)C(=O)OC T5377 [0,2,0,0,0,0|1,0,0]=3 36 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,2,0,0,0,0|0,0,2]=4 37 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|0,0,2]=4 38 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 T12016 [0,1,0,1,0,0|1,0,0]=3 43 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,1,0,0|0,0,2]=4 44 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|0,0,2]=4