0 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|1,0,2]=4 1 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.6 CCC/C=C/C=O T8099 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,1,0,0,0,0|0,0,1]=2 5 B8R0.5 CCOC(=O)CC(C)O T19314 [0,1,0,0,0,0|0,0,2]=3 6 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.30 CCOP(O)(=O)OCC T7192 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,1,0,0|0,0,0]=1 10 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.11 C=CN1CCCC1=O T13823 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.18 CC1OC(C)=CC1=O T22309 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,2]=4 17 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|0,0,0]=2 18 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.3 C=CC(=O)C=C T31538 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.3 CCC(O)C=C TN6958 [2,0,0,0,0,0|0,0,2]=4 24 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|0,0,1]=3 25 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,1,0,0,0,0|0,0,0]=2 26 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|0,0,2]=4 27 B7R0.5 CCCC(=O)C(O)=O T13484 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|0,0,0]=2 29 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|0,0,2]=4 30 B7R0.10 COC(=O)C(=C)C#N T24442 [1,1,0,0,0,0|1,0,1]=4 31 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,2,0,0,0,0|0,0,1]=3 32 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,2,0,0,0,0|0,0,1]=3 33 B7R1.1 COc1ccoc1 TN2959 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,0,0,1,0,0|0,0,2]=4 35 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,1,0,0|0,0,2]=4 36 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,1]=3 38 B7R1.3 O=C1NCCC=C1 TN3081 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,0]=2 41 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.4 Cn1sccc1=O T19774 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.4 Cn1sccc1=O T28029 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 CCOc1ccccc1 T19753 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.27 CCN1C(=O)C=CC1=O T3088 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,1,0,0|0,0,0]=2 47 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.38 CC1(C)OC(=O)NC1=O T1234 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|0,0,2]=4