0 B14R1.42 C1=C(C=CC(O)=O)C=CC(=C1OC)O AK-32258 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.42 C1=C(C=CC(O)=O)C=CC(=C1OC)O AK-49078 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.42 COC1=C(O)C=CC(C=CC([O-])=O)=C1 AK111293 [0,0,0,0,0,0|0,0,1]=1 3 B14R1.42 O=C(O)CCC1=CC=C(O)C(OC)=C1 AK113150 [0,0,0,0,0,0|0,0,2]=2 4 B13R1.511 O=C(O)CCC1=CC=C(C)C(C)=C1 AK130343 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 AK-88787 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.575 OC1=CC=C(CCCO)C=C1OC AK122280 [1,0,0,0,0,0|0,0,3]=4 7 B13R1.643 COC1=CC=CC(CCC(O)=O)=C1 AK-32748 [1,0,0,0,0,0|0,0,2]=3 8 B15R1.4039 O=C(OC)\C=C\C1=CC=C(O)C(OC)=C1 AK-88786 [0,1,0,0,0,0|0,0,0]=1 9 B15R1.12854 C1=C(C=C(C(=C1)OC)OC)CCC(=O)O AK-42426 [0,1,0,0,0,0|0,0,2]=3 10 B15R1.12854 COC1=C(OC)C=C(C=CC(O)=O)C=C1 AK-89652 [0,1,0,0,0,0|0,0,0]=1 11 B15R2.36352 OC1=NC2=C(OC)C(Cl)=CC=C2N=C1 AK-26913 [0,0,0,1,0,0|3,0,0]=4 12 B13R1.52 FC1=C(C=C(C=C1)CC(=O)O)OC AK-36387 [0,0,0,0,1,0|1,0,1]=3 13 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [2,0,0,0,0,0|0,0,0]=2 14 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [2,0,0,0,0,0|0,0,2]=4 15 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 AK-86241 [2,0,0,0,0,0|0,0,2]=4 21 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [2,0,0,0,0,0|1,0,0]=3 24 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 AK119798 [1,1,0,0,0,0|0,0,2]=4 25 B14R1.3653 O=C(O)\C=C\C1=CC=C(OC)C(Cl)=C1 AK157890 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.3653 O=C(O)\C=C\C1=CC=C(OC)C(O)=C1 AK-88788 [1,1,0,0,0,0|0,0,0]=2 27 B14R1.74 O=C(O)CC(N)C1=CC=CC(OC)=C1 AK124267 [1,1,0,0,0,0|0,0,2]=4 28 B14R1.75 N[C@H](CC1=CC=CC(OC)=C1)C(O)=O AK-41418 [1,1,0,0,0,0|0,0,2]=4 29 B14R1.75 O=C(O)[C@@H](N)CC1=CC=CC(OC)=C1 AK-41641 [1,1,0,0,0,0|0,0,2]=4 30 B14R1.41 O=C(O)[C@@H](N)C1=CC=C(F)C(OC)=C1 AK172762 [0,1,0,0,1,0|1,0,1]=4 31 B14R1.3651 C1=CC(=CC(=C1OC)OC)CC(O)=O AK-26456 [0,1,0,0,1,0|0,0,1]=3 32 B14R1.3651 CC(CC1=CC=C(OC)C(OC)=C1)=O AK117208 [0,1,0,0,1,0|1,0,1]=4 33 B16R1.423 O=C(O)\C=C\C1=CC(OC)=C(O)C(OC)=C1 AK-29344 [0,2,0,0,0,0|0,0,0]=2 34 B16R1.4273 O=C(O)CC(N)C1=CC=C(OC)C(OC)=C1 AK-45959 [0,2,0,0,0,0|0,0,2]=4 35 B16R1.4274 O=C(O)[C@@H](N)CC1=CC=C(OC)C(OC)=C1 AK-41629 [0,2,0,0,0,0|0,0,2]=4 36 B14R2.4513 O=C1NC2=C(C=CC(Cl)=C2C)C=C1 AK-93931 [1,0,0,1,0,0|2,0,0]=4 37 B14R2.8239 O=C1C=CC2=C(O1)C=C(O)C(O)=C2 AK114506 [1,0,0,1,0,0|0,0,0]=2 38 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br AK-67717 [1,0,0,1,0,0|2,0,0]=4 39 B14R2.2332 C1=C2C(=CC=C1OC)C=C(Br)C=C2 AK-35398 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.2332 CCC1=CC2=C(C=C1)C=C(O)C=C2 AK-33971 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.2332 COC1=CC2=C(C=C1)N=C(C)C=C2 AK-86842 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 AK-33182 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 AK153075 [0,0,0,1,1,0|0,0,1]=3 44 B16R2.1933 O=C(C1=CC2=CC(Br)=C(OC)C=C2O1)O AK540811 [0,1,0,1,0,0|2,0,0]=4 45 B16R2.11587 O=C(O)C[C@@H](N)C1=CC=C2OCOC2=C1 AK670787 [0,1,0,1,0,0|0,0,2]=4 46 B16R3.10840 O=C1C=CC2=C(O1)C=C3OC=CC3=C2 AK105376 [0,0,0,2,0,0|1,0,1]=4 47 B16R3.11020 O=C1OC2=C(C=CC3=C2C=CO3)C=C1 AK111279 [0,0,0,2,0,0|1,0,1]=4 48 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.19 O=C(O)CC1=CC=C(Br)C(C)=C1 AK-94397 [1,0,0,0,1,0|1,0,1]=4 50 B12R1.19 O=C(O)CC1=CC=C(N)C(C)=C1 AK151433 [1,0,0,0,1,0|1,0,1]=4 51 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 AK-35250 [1,0,0,0,1,0|1,0,1]=4 52 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 AK-45471 [1,0,0,0,1,0|0,0,1]=3 53 B12R1.19 OC(=O)CC1=CC(Br)=C(O)C=C1 AK-34961 [1,0,0,0,1,0|1,0,1]=4 54 B12R1.438 O=C(O)CC1=CC(OC)=NC=C1 AK103183 [1,0,0,0,1,0|1,0,1]=4 55 B12R1.438 O=C(O)CC1=CC=CC(OC)=C1 AK-46642 [1,0,0,0,1,0|0,0,1]=3 56 B12R1.56 BrC1=C(C=C(C(=O)O)C=C1)OC AK-35652 [0,0,0,0,2,0|1,0,0]=3 57 B12R1.56 C1=C(C(=CC=C1C(O)=O)N)OC AK-24762 [0,0,0,0,2,0|1,0,0]=3 58 B12R1.56 C1=C(OC)C(=CC=C1C(O)=O)O AK-32998 [0,0,0,0,2,0|0,0,0]=2 59 B12R1.56 CC(C1=CC=C(Br)C(OC)=C1)=O AK144652 [0,0,0,0,2,0|2,0,0]=4 60 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F AK-36487 [0,0,0,0,2,0|1,0,0]=3 61 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 AK-36196 [0,0,0,0,2,0|1,0,0]=3 62 B12R1.56 O=C(O)C1=CC=C(Cl)C(OC)=C1 AK-36584 [0,0,0,0,2,0|1,0,0]=3 63 B12R1.56 O=C(O)C1=CC=C(N)C(CC)=C1 AK-92304 [0,0,0,0,2,0|2,0,0]=4 64 B12R1.56 O=C(O)C1=CC=C(O)C(C=O)=C1 AK-82772 [0,0,0,0,2,0|2,0,0]=4 65 B12R1.56 O=C(O)C1=NC(OC)=C(Br)C=C1 AK100452 [0,0,0,0,2,0|2,0,0]=4 66 B12R1.56 O=C(O)C1=NC(OC)=C(Cl)C=C1 AK-76603 [0,0,0,0,2,0|2,0,0]=4 67 B12R1.56 OC(=O)C1=CC(C#N)=C(O)C=C1 AK-32532 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.56 OC1=CC=C([N+]([O-])=O)C=C1OC AK-29154 [0,0,0,0,2,0|1,0,1]=4