0 B28R3.561256857 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Br)cc3 Amb17976402 [0,0,0,0,0,0|1,0,0]=1 1 B28R3.561256857 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Cl)cc3 Amb17976401 [0,0,0,0,0,0|1,0,0]=1 2 B28R3.561256857 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(F)cc3 Amb17976403 [0,0,0,0,0,0|1,0,0]=1 3 B28R3.561256857 CC=1c2ccc(cc2OC(=O)C1CCC(C)C)OCc3ccc(Cl)cc3 Amb20285967 [0,0,0,0,0,0|3,0,1]=4 4 B28R3.561256857 Cc1ccc(COc2cc3OC(=O)C(CCC(O)=O)=C(C)c3cc2)cc1 Amb18476050 [0,0,0,0,0,0|0,0,0]=0 5 B27R3.4381644 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccccc3 Amb18480991 [1,0,0,0,0,0|0,0,0]=1 6 B27R3.357898870 CC=1c2ccc(cc2OC(=O)C1CCCC)OCc3ccc(Cl)cc3 Amb21875363 [1,0,0,0,0,0|2,0,1]=4 7 B27R3.370674769 Cc1ccc(COc2ccc3c(C=CN(CCC(O)=O)C3=O)c2)cc1 Amb18502765 [1,0,0,0,0,0|3,0,0]=4 8 B29R3.232398394 CC=1c2ccc(cc2OC(=O)C1CCC(O)=O)OCc3ccc(cc3)OC Amb18476036 [0,1,0,0,0,0|0,0,0]=1 9 B29R3.3202579437 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Br)cc3F Amb18481064 [0,1,0,0,0,0|1,0,0]=2 10 B29R3.3202579437 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Cl)cc3Cl Amb17976400 [0,1,0,0,0,0|1,0,0]=2 11 B29R3.3202579437 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(F)cc3Cl Amb21914438 [0,1,0,0,0,0|1,0,0]=2 12 B29R3.3202579437 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(F)cc3F Amb18481063 [0,1,0,0,0,0|1,0,0]=2 13 B29R3.5326640496 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3cc(Cl)c(Cl)cc3 Amb18481065 [0,1,0,0,0,0|1,0,0]=2 14 B29R3.5342731012 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(Br)cc3 Amb18480979 [0,1,0,0,0,0|1,0,0]=2 15 B29R3.5342731012 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(Cl)cc3 Amb18481081 [0,1,0,0,0,0|1,0,0]=2 16 B29R3.5342731012 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(F)cc3 Amb18480987 [0,1,0,0,0,0|1,0,0]=2 17 B29R3.5342731012 Cc1ccc(COc2ccc3c(OC(=O)C(CCC(O)=O)=C3C)c2C)cc1 Amb18480984 [0,1,0,0,0,0|0,0,0]=1 18 B27R3.370674649 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Br)cc3 Amb18478573 [0,0,0,0,1,0|1,0,0]=2 19 B27R3.370674649 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Cl)cc3 Amb18477937 [0,0,0,0,1,0|1,0,0]=2 20 B27R3.370674649 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(F)cc3 Amb18478574 [0,0,0,0,1,0|1,0,0]=2 21 B27R3.370674649 Cc1ccc(COc2cc3OC(=O)C(CC(O)=O)=C(C)c3cc2)cc1 Amb18478585 [0,0,0,0,1,0|0,0,0]=1 22 B26R3.50774111 CC=1c2ccc(cc2OC(=O)C1CCCC)OCc3ccccc3 Amb19770081 [2,0,0,0,0,0|1,0,1]=4 23 B26R3.219143656 CC=1c2ccc(cc2OC(=O)C1CCC)OCc3ccc(Cl)cc3 Amb18363485 [2,0,0,0,0,0|1,0,1]=4 24 B26R3.219143656 CC=1c2ccc(cc2OC(=O)C1CCC)OCc3ccc(F)cc3 Amb18363480 [2,0,0,0,0,0|1,0,1]=4 25 B26R3.219143656 CCCc1c(=O)oc2c(c1C)ccc(c2)OCc3ccc(cc3)Cl Amb1396985 [2,0,0,0,0,0|1,0,1]=4 26 B28R3.293003576 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccccc3 Amb18480970 [1,1,0,0,0,0|0,0,0]=2 27 B28R3.2039721666 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccccc3Br Amb18481068 [1,1,0,0,0,0|0,0,0]=2 28 B28R3.2039721666 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccccc3Cl Amb21915057 [1,1,0,0,0,0|0,0,0]=2 29 B28R3.2039721666 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccccc3F Amb17976376 [1,1,0,0,0,0|0,0,0]=2 30 B28R3.2039721666 Cc1ccccc1COc2cc3OC(=O)C(CCC(O)=O)=C(C)c3cc2 Amb18481069 [1,1,0,0,0,0|0,0,0]=2 31 B28R3.2251230483 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3cc(Br)ccc3 Amb18481072 [1,1,0,0,0,0|0,0,0]=2 32 B28R3.2251230483 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3cc(Cl)ccc3 Amb18480994 [1,1,0,0,0,0|0,0,0]=2 33 B28R3.2251230483 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3cc(F)ccc3 Amb18480993 [1,1,0,0,0,0|0,0,0]=2 34 B28R3.2251230483 Cc1cc(COc2cc3OC(=O)C(CCC(O)=O)=C(C)c3cc2)ccc1 Amb18480992 [1,1,0,0,0,0|0,0,0]=2 35 B28R3.540983709 CC=1c2ccc(cc2OC(=O)C1CCCC)OCc3ccc(cc3)OC Amb21921554 [1,1,0,0,0,0|1,0,1]=4 36 B28R3.281908882 CC=1c2ccc(cc2OC(=O)C1CC(O)=O)OCc3ccc(cc3)OC Amb19903797 [0,1,0,0,1,0|0,0,0]=2 37 B28R3.561256851 Cc1c(ccc2c1OC(=O)C(CC(O)=O)=C2C)OCc3ccc(Br)cc3 Amb18477959 [0,1,0,0,1,0|1,0,0]=3 38 B28R3.561256851 Cc1c(ccc2c1OC(=O)C(CC(O)=O)=C2C)OCc3ccc(Cl)cc3 Amb18477967 [0,1,0,0,1,0|1,0,0]=3 39 B28R3.561256851 Cc1c(ccc2c1OC(=O)C(CC(O)=O)=C2C)OCc3ccc(F)cc3 Amb18477941 [0,1,0,0,1,0|1,0,0]=3 40 B28R3.561256851 Cc1ccc(COc2ccc3c(OC(=O)C(CC(O)=O)=C3C)c2C)cc1 Amb21914676 [0,1,0,0,1,0|0,0,0]=2 41 B28R3.1032208925 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3cc(Cl)c(Cl)cc3 Amb19794950 [0,1,0,0,1,0|1,0,0]=3 42 B28R3.1929982413 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Br)cc3F Amb17975768 [0,1,0,0,1,0|1,0,0]=3 43 B28R3.1929982413 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(Cl)cc3Cl Amb18478575 [0,1,0,0,1,0|1,0,0]=3 44 B28R3.1929982413 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(F)cc3Cl Amb17975769 [0,1,0,0,1,0|1,0,0]=3 45 B28R3.1929982413 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(F)cc3F Amb19538540 [0,1,0,0,1,0|1,0,0]=3 46 B30R3.346722255 CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccc(cc3)C(O)=O Amb18480996 [0,2,0,0,0,0|0,0,1]=3 47 B30R3.9249204559 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(Br)cc3F Amb18480980 [0,2,0,0,0,0|1,0,0]=3 48 B30R3.9249204559 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(Cl)cc3Cl Amb18481079 [0,2,0,0,0,0|1,0,0]=3 49 B30R3.9249204559 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(F)cc3Cl Amb18480973 [0,2,0,0,0,0|1,0,0]=3 50 B30R3.9249204559 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3ccc(F)cc3F Amb18481080 [0,2,0,0,0,0|1,0,0]=3 51 B30R3.12097594780 Cc1c(ccc2c1OC(=O)C(CCC(O)=O)=C2C)OCc3cc(Cl)c(Cl)cc3 Amb18481078 [0,2,0,0,0,0|1,0,0]=3 52 B30R3.2219470119 CC=1c2ccc(cc2OC(=O)C1CCC(=O)OCC)OCc3ccc(Br)cc3 Amb17976368 [0,2,0,0,0,0|1,0,0]=3 53 B30R3.2219470119 CC=1c2ccc(cc2OC(=O)C1CCC(=O)OCC)OCc3ccc(Cl)cc3 Amb18480998 [0,2,0,0,0,0|1,0,0]=3 54 B30R3.2219470119 CC=1c2ccc(cc2OC(=O)C1CCC(=O)OCC)OCc3ccc(F)cc3 Amb18480999 [0,2,0,0,0,0|1,0,0]=3 55 B30R3.2219470119 CCOC(=O)CCC=1C(=O)Oc2cc(ccc2C1C)OCc3ccc(C)cc3 Amb18480938 [0,2,0,0,0,0|0,0,0]=2 56 B30R4.139986408 CC1=C(CCC(O)=O)C(=O)Oc2cc3occ(c3cc21)-c4ccc(Br)cc4 Amb18475623 [0,0,0,1,0,1|1,0,1]=4 57 B30R4.139986408 CC1=C(CCC(O)=O)C(=O)Oc2cc3occ(c3cc21)-c4ccc(Cl)cc4 Amb20286403 [0,0,0,1,0,1|1,0,1]=4 58 B30R4.139986408 CC1=C(CCC(O)=O)C(=O)Oc2cc3occ(c3cc21)-c4ccc(F)cc4 Amb19788568 [0,0,0,1,0,1|1,0,1]=4 59 B30R4.139986408 Cc1ccc(cc1)-c2coc3cc4OC(=O)C(CCC(O)=O)=C(C)c4cc23 Amb18475622 [0,0,0,1,0,1|0,0,1]=3 60 B26R3.4007219 CC1=C(CC(O)=O)C(=O)Oc2cc(ccc21)OCc3ccccc3 Amb18478584 [1,0,0,0,1,0|0,0,0]=2 61 B26R3.4007219 CC=1c2ccc(cc2OC(=O)C1CC(C)O)OCc3ccccc3 Amb21913341 [1,0,0,0,1,0|1,0,1]=4