0 B25R3.3579239 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccccc3 Amb22269258 [0,0,0,0,0,0|0,0,2]=2 1 B25R3.3579239 CC(=O)CC(C1=C(O)c2[n]cccc2OC1=O)c3ccccc3 Amb21998493 [0,0,0,0,0,0|1,0,0]=1 2 B25R3.3579239 CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb19134261 [0,0,0,0,0,0|0,0,0]=0 3 B25R3.3579239 CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb19515797 [0,0,0,0,0,0|0,0,0]=0 4 B25R3.3579239 CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb19957967 [0,0,0,0,0,0|0,0,0]=0 5 B25R3.3579239 CC(=O)CC(C1=C(O)c2ccccc2SC1=O)c3ccccc3 Amb19769661 [0,0,0,0,0,0|0,1,0]=1 6 B25R3.3579239 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Amb19517282 [0,0,0,0,0,0|0,0,1]=1 7 B25R3.3579239 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Amb19854171 [0,0,0,0,0,0|0,0,1]=1 8 B25R3.3579239 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Amb22730963 [0,0,0,0,0,0|0,0,1]=1 9 B25R3.3579239 CC(=O)CC(C=1C(=O)Oc2ccccc2C1[O-])c3ccccc3 Amb19514515 [0,0,0,0,0,0|0,0,1]=1 10 B25R3.3579239 CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c3ccccc3 Amb1967203 [0,0,0,0,0,0|0,0,0]=0 11 B25R3.3579239 CC(=O)C[C@@H](C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb19134262 [0,0,0,0,0,0|0,0,0]=0 12 B25R3.3579239 CC(=O)C[C@H](C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb22354034 [0,0,0,0,0,0|0,0,0]=0 13 B25R3.3579239 CC(=O)\C=C(\C1=C(O)c2ccccc2OC1=O)/c3ccccc3 Amb22054880 [0,0,0,0,0,0|0,0,2]=2 14 B25R3.3579239 CC(O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb22056348 [0,0,0,0,0,0|0,0,2]=2 15 B25R3.3579239 OC(=O)CC(C=1C(=O)Oc2ccccc2C1O)c3ccccc3 Amb19762737 [0,0,0,0,0,0|1,0,0]=1 16 B26R3.7284890 CC(=O)CC(C1=C(O[Na])c2ccccc2OC1=O)c3ccccc3 Amb20246699 [0,1,0,0,0,0|0,0,0]=1 17 B26R3.33404991 CC(=O)CC(C=1C(=O)Oc2c(cccc2O)C1O)c3ccccc3 Amb19132758 [0,1,0,0,0,0|0,0,0]=1 18 B26R3.34007343 CC(=O)C(O)C(C=1C(=O)Oc2ccccc2C1O)c3ccccc3 Amb19132761 [0,1,0,0,0,0|0,0,0]=1 19 B26R3.34289914 CC(=O)CC(C=1C(=O)Oc2ccc(O)cc2C1O)c3ccccc3 Amb19132754 [0,1,0,0,0,0|0,0,0]=1 20 B26R3.53831368 CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)cc3 Amb19131322 [0,1,0,0,0,0|0,0,0]=1 21 B26R3.53831368 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccc(Br)cc3 Amb19517809 [0,1,0,0,0,0|0,0,1]=2 22 B26R3.53831368 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccc(Cl)cc3 Amb19769795 [0,1,0,0,0,0|0,0,1]=2 23 B26R3.53831368 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccc(O)cc3 Amb19517810 [0,1,0,0,0,0|0,0,1]=2 24 B26R3.53831368 CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccc(O)cc3 Amb19769796 [0,1,0,0,0,0|0,0,1]=2 25 B26R3.53831368 CC(=O)CC(C=1C(=O)Oc2ccccc2C1O)c3ccc(O)cc3 Amb19132752 [0,1,0,0,0,0|0,0,0]=1 26 B26R3.53831368 OC(=O)CC(C=1C(=O)Oc2ccccc2C1O)c3ccc(Cl)cc3 Amb23482876 [0,1,0,0,0,0|1,0,0]=2 27 B26R3.53831368 [O-][N+](=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(Cl)cc3 Amb20648789 [0,1,0,0,0,0|2,0,0]=3 28 B26R3.53831368 [O-][N+](=O)CC(c1c(=O)oc2c(c1O)cccc2)c3ccc(cc3)Cl Amb2460581 [0,1,0,0,0,0|2,0,0]=3 29 B26R3.56121876 CCC(=O)CC(C1=C(O)c2ccccc2SC1=O)c3ccccc3 Amb19769662 [0,1,0,0,0,0|0,1,0]=2 30 B26R3.56121876 CCC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Amb19517801 [0,1,0,0,0,0|0,0,1]=2 31 B26R3.56121876 CCC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Amb19769794 [0,1,0,0,0,0|0,0,1]=2 32 B26R3.56121876 CCC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3 Amb21913432 [0,1,0,0,0,0|0,0,1]=2 33 B26R3.56121876 CCC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c3ccccc3 Amb1968124 [0,1,0,0,0,0|0,0,0]=1 34 B26R3.56121876 CCC(=O)CC(c1ccccc1)c2c([O-])c3ccccc3oc2=O Amb17730973 [0,1,0,0,0,0|0,0,1]=2 35 B26R3.56121876 CCC(O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb20414694 [0,1,0,0,0,0|0,0,2]=3 36 B26R3.56121876 COC(=O)CC(C1=C(O)N2C=CC=CC2=NC1=O)c3c[n]ccc3 Amb22583298 [0,1,0,0,0,0|3,0,0]=4 37 B26R3.56121876 COC(=O)CC(C1=C(O)N2C=CC=CC2=NC1=O)c3ccccc3 Amb22581801 [0,1,0,0,0,0|2,0,0]=3 38 B26R3.56121876 COC(=O)CC(c1ccccc1)C=2C(=O)Oc3ccccc3C2O Amb20665618 [0,1,0,0,0,0|0,0,0]=1 39 B26R3.150958569 CC(=O)CC(C=1C(=O)Oc2ccccc2C1O)c3cc(O)ccc3 Amb19132751 [0,1,0,0,0,0|0,0,0]=1 40 B26R3.249452400 CC(=O)CC(C=1C(=O)Oc2cc(O)ccc2C1O)c3ccccc3 Amb19132756 [0,1,0,0,0,0|0,0,0]=1 41 B24R3.2713944 CC(=O)CC([C-]1C(=O)c2ccccc2C1=O)c3ccccc3 Amb22477939 [0,0,0,0,1,0|0,0,2]=3 42 B24R3.2713944 ClC(=O)CC(N1C(=O)c2c(C1=O)cccc2)c3ccccc3 Amb17103983 [0,0,0,0,1,0|2,0,1]=4 43 B24R3.2713944 NC(=O)CC(N1C(=O)c2c(C1=O)cccc2)c3ccccc3 Amb2582868 [0,0,0,0,1,0|2,0,1]=4 44 B24R3.2713944 OC(=O)CC(N1C(=O)c2c(C1=O)cccc2)c3ccccc3 Amb1134593 [0,0,0,0,1,0|2,0,1]=4 45 B24R3.24420679 CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccco3 Amb22369414 [0,0,0,0,1,0|1,0,0]=2 46 B23R3.1931051 CCC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb20243293 [2,0,0,0,0,0|0,0,0]=2 47 B25R3.27838461 CC(=O)CC(C=1OC(=O)c2ccccc2C1O)c3ccccc3 Amb22458457 [1,1,0,0,0,0|2,0,0]=4 48 B27R3.8462100 CCC(=O)CC(C1=C(O[Na])c2ccccc2OC1=O)c3ccccc3 Amb22456327 [0,2,0,0,0,0|0,0,0]=2 49 B27R3.387601216 COC(=O)CC(C1=C(O)N2C=CC=CC2=NC1=O)c3ccccc3Cl Amb22580652 [0,2,0,0,0,0|2,0,0]=4 50 B27R3.387601216 COC(=O)CC(C1=C(O)N2C=CC=CC2=NC1=O)c3ccccc3F Amb22581664 [0,2,0,0,0,0|2,0,0]=4 51 B27R3.63183138 COC(=O)CC(C1=C(O)N2C=C(Cl)C=CC2=NC1=O)c3ccccc3 Amb22580554 [0,2,0,0,0,0|2,0,0]=4 52 B27R3.24435108 CC(=O)CC(C=1C(=O)Oc2ccccc2C1O)c3ccc(cc3)OC Amb19769663 [0,2,0,0,0,0|0,0,0]=2 53 B27R3.387516207 COC(=O)CC(C1=C(O)N2C=CC=CC2=NC1=O)c3ccc(Cl)cc3 Amb22581248 [0,2,0,0,0,0|2,0,0]=4 54 B27R3.387516207 COC(=O)CC(C1=C(O)N2C=CC=CC2=NC1=O)c3ccc(F)cc3 Amb22582137 [0,2,0,0,0,0|2,0,0]=4 55 B27R3.387516207 COC(=O)CC(C=1C(=O)N=C2C=CC=CN2C1O)c3ccc(O)cc3 Amb22583377 [0,2,0,0,0,0|2,0,0]=4 56 B27R3.387516207 COC(=O)CC(c1ccc(O)cc1)C=2C(=O)Oc3ccccc3C2O Amb22744296 [0,2,0,0,0,0|0,0,0]=2 57 B27R3.53999947 CCOC(=O)CC(C1=C(O)c2ccccc2NC1=O)c3ccccc3 Amb20243494 [0,2,0,0,0,0|1,0,0]=3 58 B27R3.53999947 CCOC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3 Amb22442605 [0,2,0,0,0,0|0,0,0]=2 59 B27R3.53999947 CCOC(=O)CC(C=1C(=O)Nc2ccccc2C1O)c3c[n]ccc3 Amb21921118 [0,2,0,0,0,0|2,0,0]=4 60 B27R3.387561180 COC(=O)CC(c1cccc(O)c1)C=2C(=O)Oc3ccccc3C2O Amb22743299 [0,2,0,0,0,0|0,0,0]=2 61 B27R3.2450887680 Cc1cc2OC(=O)C(C(CC(O)=O)c3ccccc3)=C(O)c2c(C)c1 Amb23526691 [0,2,0,0,0,0|1,0,0]=3 62 B25R3.3576644 CC(=O)CC(OC1=CC(=O)Oc2ccccc21)c3ccccc3 Amb19769665 [0,0,1,1,0,0|2,0,0]=4 63 B25R4.4243507 OC1=C(C2OC(=O)c3ccccc32)C(=O)Oc4ccccc41 Amb21920849 [1,0,0,1,0,0|1,0,0]=3 64 B25R4.41619982 CC1=CC(C=2C(=O)Oc3ccccc3C2O1)c4ccccc4 Amb19133182 [1,0,0,1,0,0|0,0,1]=3 65 B25R4.41619982 O=C1Nc2ccccc2C=3OC(=O)CC(C13)c4c[n]ccc4 Amb19815310 [1,0,0,1,0,0|2,0,0]=4 66 B25R4.41619982 O=C1Nc2ccccc2C=3OC(=O)CC(C13)c4ccccc4 Amb19815103 [1,0,0,1,0,0|1,0,0]=3 67 B25R4.41619982 O=C1Oc2ccccc2C=3OC(=O)C=C(C13)c4ccccc4 Amb22455162 [1,0,0,1,0,0|0,0,2]=4 68 B25R4.41619982 O=C1Oc2ccccc2C=3OC(=O)CC(C13)c4ccccc4 Amb19814674 [1,0,0,1,0,0|0,0,0]=2 69 B25R4.44540817 OC1=C(C2CCCc3ccccc32)C(=O)Oc4ccccc41 Amb20246854 [1,0,0,1,0,0|0,0,1]=3 70 B25R4.44540817 OC1=C(C2NCCc3ccccc32)C(=O)Oc4ccccc41 Amb21933397 [1,0,0,1,0,0|1,0,1]=4 71 B27R4.3862206 CC(=O)[n]1cc(C2=C(O)c3ccccc3OC2=O)c4ccccc14 Amb19521284 [0,0,0,1,0,1|0,0,2]=4 72 B27R4.428930 COC(=O)C1OC2=C(C1c3c[n]ccc3)C(=O)Oc4ccccc42 Amb21973992 [0,1,0,1,0,0|1,0,0]=3 73 B27R4.67435666 COC1(C)CC(C=2C(=O)Oc3ccccc3C2O1)c4ccccc4 Amb22361259 [0,1,0,1,0,0|0,0,2]=4 74 B27R5.4845518 CC12OC1C(C=3C(=O)Oc4ccccc4C3O2)c5ccccc5 Amb19133126 [0,0,0,2,0,0|0,0,2]=4