0 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,0|2,1,0]=3 1 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,1,0,0,0,0|1,0,2]=4 4 B9R0.53 CC(=CC(C=C(C)C)=O)C AK-35357 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.56 CC(=O)SCC[N+](C)(C)C AK-47972 [0,1,0,0,0,0|1,0,1]=3 6 B9R0.56 C[N+](C)(C)CCOC(C)=O AK307467 [0,1,0,0,0,0|1,1,1]=4 7 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.53 CC(OC1CC(C1)=O)=O AK118872 [0,0,0,1,0,0|1,1,1]=4 13 B9R1.53 CC(OC1NC(C1)=O)=O AK-34520 [0,0,0,1,0,0|2,1,0]=4 14 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,0,0,1,0,0|2,0,1]=4 17 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,1,0|2,0,1]=4 18 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,1,0|2,0,1]=4 22 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,1,0|1,0,0]=3 23 B10R0.57 C=C(COC(C)=O)C(OC)=O AK-54587 [0,2,0,0,0,0|1,1,0]=4 24 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,1,0|1,0,1]=4 26 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,1,1,0|1,0,1]=4 27 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,1,0|2,0,0]=4 28 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,0,0,1,1,0|1,0,1]=4 29 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,1,0,1,0,0|1,0,0]=3 30 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,2,0|2,0,0]=4 31 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,2,0|1,0,1]=4 32 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,2,0|1,0,0]=3 33 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,2,0|1,0,0]=3 34 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,2,0|2,0,0]=4