0 B17R2.139609 COc1cc2CN(C)CC(=O)c2c(O)c1O Amb24062612 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.139609 COc1cc2OC(C)=CC(=O)c2c(O)c1C Amb22583880 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.1572 COc1cc2oc(=O)ccc2c(Br)c1O Amb24081423 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.192589 CC1=CC(=O)Oc2cc(OC)c(Cl)cc12 Amb18475894 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.192589 CC1=CC(=O)c2cc(O)c(cc2O1)OC Amb22470275 [1,0,0,0,0,0|1,0,0]=2 5 B16R2.192589 CNc1cc2oc(=O)cc(C)c2cc1C Amb24094514 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.192589 COc1cc2OC(=O)C=C(O)c2cc1Cl Amb21928344 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.192589 Cc1cc(Cl)c2cc(Cl)c(cc2[n]1)OC Amb25060438 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.203249 CC1=CC(=O)c2c(O)cc(cc2O1)OC Amb18548513 [1,0,0,0,0,0|0,0,0]=1 9 B16R2.203249 COc1cc(O)c2C(=O)OC(C)Cc2c1 Amb18656029 [1,0,0,0,0,0|2,0,1]=4 10 B16R1.20117 CC(=O)CC(=O)c1ccc(OC)c(C)c1C Amb18068153 [0,0,1,0,0,0|1,0,2]=4 11 B16R1.20117 C\C(=C/C(O)=O)\c1ccc(OC)c(C)c1C Amb18068151 [0,0,1,0,0,0|3,0,0]=4 12 B15R1.10148 CC(=O)c1c(O)c(Cl)c(cc1OC)OC Amb18660878 [1,0,1,0,0,0|1,0,1]=4 13 B15R1.10148 Cc1c(N)c(c(cc1OC)OC)C(O)=O Amb24710107 [1,0,1,0,0,0|2,0,0]=4 14 B15R1.1854 CC(C)=CC(=O)c1ccc(cc1F)OC Amb25803208 [1,0,1,0,0,0|2,0,0]=4 15 B15R1.1876 Cc1c(ccc(\C=C\C(O)=O)c1C)OC Amb18895492 [1,0,1,0,0,0|2,0,0]=4 16 B15R1.3776 CC(C)=CC(=O)c1cc(C)c(cc1)OC Amb24566975 [1,0,1,0,0,0|1,0,0]=3 17 B15R1.3776 CC(C)=CC(=O)c1cc(F)c(cc1)OC Amb25713245 [1,0,1,0,0,0|2,0,0]=4 18 B15R1.3776 COc1ccc(cc1C)C(=O)CC(=O)C Amb17338488 [1,0,1,0,0,0|0,0,2]=4 19 B15R1.10613 C\C=C\C(=O)c1cc(C)c(cc1C)OC Amb24394253 [1,0,1,0,0,0|1,0,0]=3 20 B15R2.1824 COc1cc2OC(=O)C=Cc2cc1I Amb25292766 [2,0,0,0,0,0|2,0,0]=4 21 B15R2.1824 COc1cc2OC(=O)C=Cc2cc1O Amb18511475 [2,0,0,0,0,0|2,0,0]=4 22 B15R2.1824 Cc1cc2cc(OC)c(O)cc2cc1 Amb25263558 [2,0,0,0,0,0|2,0,0]=4 23 B15R2.2708 COc1cc(O)c2C=CC(=O)Oc2c1 Amb18651003 [2,0,0,0,0,0|1,0,0]=3 24 B15R2.21243 COc1cc2ccccc2c(O)c1O Amb18650354 [2,0,0,0,0,0|2,0,0]=4 25 B15R2.63893 Cc1c(O)cc2OC(=O)C=Cc2c1C Amb18650348 [2,0,0,0,0,0|2,0,0]=4 26 B15R2.63893 Cc1cc2[n]c(C)ccc2c(N)c1C Amb18129643 [2,0,0,0,0,0|2,0,0]=4 27 B15R2.63893 Oc1c(O)c2C=CC(=O)Oc2cc1O Amb25773380 [2,0,0,0,0,0|2,0,0]=4 28 B15R2.2039 COc1cc2NC=CC(=O)c2cc1Br Amb25857672 [2,0,0,0,0,0|2,0,0]=4 29 B15R2.2039 COc1cc2OC=CC(=O)c2cc1O Amb25729124 [2,0,0,0,0,0|1,0,0]=3 30 B15R2.2039 Cc1cc2c(cc1OC)OCCC2=O Amb25068324 [2,0,0,0,0,0|0,0,2]=4 31 B15R2.83901 COc1cc(O)c2C(=O)C=CNc2c1 Amb24637827 [2,0,0,0,0,0|1,0,0]=3 32 B15R2.83901 COc1cc2OCCC(=O)c2c(O)c1 Amb24499322 [2,0,0,0,0,0|0,0,2]=4 33 B15R2.13972 CC1=CC(=O)c2c(ccc(C)c2C)N1 Amb24381423 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.13972 CC1=CC(=O)c2c(ccc(O)c2O)O1 Amb24620074 [2,0,0,0,0,0|1,0,0]=3 35 B15R2.13972 Cc1ccc2OC(=O)C=C(O)c2c1O Amb20252017 [2,0,0,0,0,0|1,0,1]=4 36 B15R2.59733 CC1=CC(=O)Oc2cc(O)c(C)cc12 Amb18650347 [2,0,0,0,0,0|2,0,0]=4 37 B15R2.59733 CC1=CC(=O)c2cc(C)c(I)cc2N1 Amb25671857 [2,0,0,0,0,0|2,0,0]=4 38 B15R2.59733 CC1=CC(=O)c2cc(C)c(O)cc2O1 Amb18650363 [2,0,0,0,0,0|0,0,0]=2 39 B15R2.59733 CC1=CC(=O)c2cc(Cl)c(Cl)cc2O1 Amb24358912 [2,0,0,0,0,0|2,0,0]=4 40 B15R2.59733 CC1=CC(=O)c2cc(O)c(O)cc2O1 Amb25730080 [2,0,0,0,0,0|1,0,0]=3 41 B15R2.59733 CC1=Cc2cc(C)c(C)cc2C(=O)N1 Amb25348364 [2,0,0,0,0,0|2,0,0]=4 42 B15R2.59733 Cc1cc(Cl)c2c(n1)cc(c(c2)C)C Amb1994622 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.59733 Cc1cc(N)c2c(n1)cc(c(c2)C)C Amb1994574 [2,0,0,0,0,0|2,0,0]=4 44 B15R2.59733 Cc1cc(O)c2c(n1)cc(c(c2)C)C Amb1994353 [2,0,0,0,0,0|1,0,1]=4 45 B15R2.59733 Cc1cc2OC(=O)C=C(O)c2cc1C Amb18524851 [2,0,0,0,0,0|1,0,1]=4 46 B15R2.59733 Cc1cc2OC(=O)C=C(O)c2cc1C Amb20665771 [2,0,0,0,0,0|1,0,1]=4 47 B15R2.59733 Cc1cc2[n]c(C)cc(C)c2cc1C Amb22734417 [2,0,0,0,0,0|2,0,0]=4 48 B15R2.59733 Oc1cc(=O)c2c(o1)cc(c(c2)C)C Amb16232570 [2,0,0,0,0,0|1,0,0]=3 49 B15R2.65793 CC1=CC(=O)C2=C(C=C(C)NC2=O)O1 Amb25322252 [2,0,0,0,0,0|1,0,1]=4 50 B15R2.65793 CC1=CC(=O)Oc2cc(O)cc(O)c21 Amb18511468 [2,0,0,0,0,0|2,0,0]=4 51 B15R2.65793 CC1=CC(=O)Oc2cc(O)cc(O)c21 Amb22346094 [2,0,0,0,0,0|2,0,0]=4 52 B15R2.65793 CC1=CC(=O)c2c(cc(C)cc2C)N1 Amb19046473 [2,0,0,0,0,0|2,0,0]=4 53 B15R2.65793 CC1=CC(=O)c2c(cc(O)cc2C)O1 Amb18650350 [2,0,0,0,0,0|1,0,0]=3 54 B15R2.65793 CC1=CC(=O)c2c(cc(O)cc2O)O1 Amb18650985 [2,0,0,0,0,0|0,0,0]=2 55 B15R2.65793 CC1=Cc2cc(O)cc(O)c2C(=O)N1 Amb18650706 [2,0,0,0,0,0|2,0,0]=4 56 B15R2.65793 CC1=Cc2cc(O)cc(O)c2C(=O)O1 Amb18650995 [2,0,0,0,0,0|2,0,0]=4 57 B15R2.65793 CC1CC(=O)c2c(cc(O)cc2O)O1 Amb18651677 [2,0,0,0,0,0|0,0,2]=4 58 B15R2.65793 CC=1CC(=O)c2c(cc(O)cc2O)N1 Amb24722828 [2,0,0,0,0,0|1,0,1]=4 59 B15R2.65793 C[C@H]1CC(=O)c2c(cc(O)cc2O)O1 Amb25730225 [2,0,0,0,0,0|0,0,2]=4 60 B15R2.65793 Cc1cc(O)c2C(=O)C=C(C)Oc2c1 Amb25294439 [2,0,0,0,0,0|0,0,0]=2 61 B15R2.65793 Cc1cc(O)c2c(c1)OC(=O)C=C2C Amb18528888 [2,0,0,0,0,0|2,0,0]=4 62 B15R2.65793 Cc1cc(O)cc2OC(O)=CC(=O)c21 Amb25094443 [2,0,0,0,0,0|2,0,0]=4 63 B15R2.65793 Cc1cc2cc(C)cc(O)c2c(O)c1 Amb24342592 [2,0,0,0,0,0|1,0,1]=4 64 B15R2.65793 OC1=CC(=O)Oc2cc(O)cc(O)c12 Amb18651645 [2,0,0,0,0,0|1,0,1]=4 65 B15R2.65793 Oc1cc2OC(=O)CC(=O)c2c(O)c1 Amb24737367 [2,0,0,0,0,0|1,0,1]=4 66 B15R2.89396 CC1=CC(=O)Oc2cc(ccc12)OC Amb18511507 [2,0,0,0,0,0|2,0,0]=4 67 B15R2.89396 CC1=CC(=S)Oc2cc(ccc12)OC Amb22740175 [2,0,0,0,0,0|2,0,0]=4 68 B15R2.89396 CC1=Cc2cc(ccc2C(=O)N1)OC Amb22755930 [2,0,0,0,0,0|2,0,0]=4 69 B15R2.89396 CC1=Cc2cc(ccc2C(=O)O1)OC Amb20247504 [2,0,0,0,0,0|2,0,0]=4 70 B15R2.89396 CC1=Nc2cc(ccc2C(=O)O1)OC Amb24526025 [2,0,0,0,0,0|2,0,0]=4 71 B15R2.89396 CC=1CC(=O)c2ccc(cc2N1)OC Amb25033400 [2,0,0,0,0,0|1,0,1]=4 72 B15R2.89396 CC=1NC(=O)c2ccc(cc2N1)OC Amb22831336 [2,0,0,0,0,0|2,0,0]=4 73 B15R2.89396 COc1cc2[n]c(C)cc(C)c2cc1 Amb18353620 [2,0,0,0,0,0|2,0,0]=4 74 B15R2.89396 COc1ccc2c(c1)OC(=O)C=C2Cl Amb22433760 [2,0,0,0,0,0|2,0,0]=4 75 B15R2.89396 COc1ccc2c(c1)OC(=O)C=C2N Amb18650739 [2,0,0,0,0,0|2,0,0]=4 76 B15R2.89396 COc1ccc2c(c1)OC(=O)C=C2O Amb19132639 [2,0,0,0,0,0|1,0,1]=4 77 B15R2.89396 COc1ccc2c(c1)OC(=O)NC2=O Amb20243313 [2,0,0,0,0,0|2,0,0]=4 78 B15R2.89396 COc1ccc2c(c1)OC(CC2=O)C Amb10608645 [2,0,0,0,0,0|0,0,2]=4 79 B15R2.89396 COc1ccc2c(c1)nc(cc2Cl)C Amb1994638 [2,0,0,0,0,0|2,0,0]=4 80 B15R2.89396 COc1ccc2c(c1)nc(cc2N)C Amb1994610 [2,0,0,0,0,0|2,0,0]=4 81 B15R2.89396 Cc1cc(=O)c2ccc(cc2[s]1)OC Amb24076090 [2,0,0,0,0,0|0,1,0]=3 82 B17R1.48247 C\C(=C/C(O)=O)\c1ccc(OC)c(C)c1OC Amb18575849 [0,1,1,0,0,0|2,0,0]=4 83 B17R2.1177 COc1c(O)c2C=CC(=O)Oc2cc1OC Amb22172682 [1,1,0,0,0,0|1,0,0]=3 84 B17R2.1178 COc1c(O)c(cc2OC(=O)C=Cc21)OC Amb22172618 [1,1,0,0,0,0|2,0,0]=4 85 B17R2.15600 CC1=Cc2cc(O)c(OC)c(O)c2C(=O)O1 Amb19746757 [1,1,0,0,0,0|2,0,0]=4 86 B17R2.881626 Cc1c(O)c2C(=O)C=C(C)Oc2c(C)c1O Amb22172928 [1,1,0,0,0,0|0,0,0]=2 87 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(CC)cc12 Amb22357591 [1,1,0,0,0,0|2,0,0]=4 88 B17R2.139606 CC1=CC(=O)Oc2cc(OC)c(cc12)OC Amb19131943 [1,1,0,0,0,0|2,0,0]=4 89 B17R2.139606 CC1=Nc2cc(OC)c(cc2C(=O)O1)OC Amb19200277 [1,1,0,0,0,0|2,0,0]=4 90 B17R2.139606 COc1cc2cc(C)cc(c2cc1OC)O Amb17595943 [1,1,0,0,0,0|1,0,1]=4 91 B17R2.139606 COc1cc2nc(C)cc(c2cc1OC)N Amb17604719 [1,1,0,0,0,0|2,0,0]=4 92 B17R2.139606 COc1cc2nc(C)cc(c2cc1OC)O Amb16747586 [1,1,0,0,0,0|1,0,1]=4 93 B17R2.139606 Cc1cc(Br)c2cc(OC)c(cc2[n]1)OC Amb18355263 [1,1,0,0,0,0|2,0,0]=4 94 B17R2.401280 CC1=CC(=O)Oc2cc(cc(OC)c12)OC Amb18007986 [1,1,0,0,0,0|2,0,0]=4 95 B17R2.401280 CC1=CC(=O)c2c(cc(cc2O1)OC)OC Amb20247398 [1,1,0,0,0,0|0,0,0]=2 96 B17R2.401280 CC1=Nc2cc(cc(OC)c2C(=O)O1)OC Amb20247390 [1,1,0,0,0,0|2,0,0]=4 97 B17R2.401280 COc1cc(cc2OC(=O)C=C(O)c21)OC Amb24084287 [1,1,0,0,0,0|1,0,1]=4 98 B17R2.1157533 COc1cc(O)c2C(=O)CC(CO)=Cc2c1 Amb24059985 [1,1,0,0,0,0|1,0,1]=4 99 B17R2.1157533 COc1cc2OC(CC)=CC(=O)c2c(O)c1 Amb24079225 [1,1,0,0,0,0|0,0,0]=2 100 B19R2.4225739 CC1=CC(=O)Oc2cc(OC)c(OC)c(OC)c12 Amb21998552 [0,2,0,0,0,0|2,0,0]=4 101 B17R2.430459 COc1ccc2c(c1C)oc(c2C)C(=O)O Amb10879990 [0,0,1,1,0,0|2,0,0]=4 102 B19R3.1114855 Oc1c2C(=O)C=C(CO)Oc2cc3occc13 Amb22172661 [0,1,0,1,0,0|0,0,2]=4 103 B19R3.6098608 CC1=CC(=O)c2c(OC)c3ccoc3cc2O1 Amb18511882 [0,1,0,1,0,0|0,0,2]=4 104 B19R3.6098608 CC1=CC(=O)c2c(cc3OCOc3c2OC)O1 Amb20247399 [0,1,0,1,0,0|1,0,0]=3 105 B15R1.1875 CC(=O)C(=O)c1ccc(OC)c(C)c1C Amb18567702 [0,0,1,0,1,0|1,0,1]=4 106 B15R1.1875 COc1ccc(C(=O)C(C)=C)c(C)c1C Amb18567004 [0,0,1,0,1,0|2,0,0]=4 107 B15R1.1875 Cc1c(ccc(OC)c1C)C(=O)C(O)=O Amb18568315 [0,0,1,0,1,0|2,0,0]=4 108 B15R2.21570 COc1cc2occ(C)c2c(O)c1C Amb25318969 [1,0,0,0,1,0|1,0,0]=3 109 B15R2.21570 Cc1c(O)c2c(COC2=O)cc1OC Amb18651675 [1,0,0,0,1,0|1,0,1]=4 110 B15R2.1861 CC1=Cc2cc(OC)c(C)cc2C1=O Amb24574087 [1,0,0,0,1,0|1,0,0]=3 111 B15R2.1861 COc1cc2ON(C)C(=O)c2cc1Br Amb25374263 [1,0,0,0,1,0|2,0,0]=4 112 B15R2.1861 COc1cc2oc(C)c(C)c2cc1N Amb24707831 [1,0,0,0,1,0|2,0,0]=4 113 B15R2.1861 Cc1cc2c(cc1OC)NC(=O)C2=O Amb25848800 [1,0,0,0,1,0|2,0,0]=4