0 B16R1.20196 COc1cc(C=O)ccc1OC(=O)C(C)C Amb10071065 [0,0,0,0,0,0|0,0,0]=0 1 B16R1.20196 COc1cc(OC)ccc1NC(=O)C(Br)C Amb17597755 [0,0,0,0,0,0|4,0,0]=4 2 B16R1.20196 COc1cc(OC)ccc1NC(=O)C(O)C Amb17406688 [0,0,0,0,0,0|4,0,0]=4 3 B16R1.20196 COc1cc(ccc1NC(=O)[C@@H](C)N)OC Amb18014696 [0,0,0,0,0,0|4,0,0]=4 4 B16R1.20196 COc1cc(ccc1NC(=O)[C@@H](C)N)OC Amb25393568 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.1904 COc1cc(C=O)ccc1OCC(C)C Amb1106690 [1,0,0,0,0,0|0,0,1]=2 6 B15R1.1904 COc1cc(C=O)ccc1OCC(F)F Amb20619535 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.1904 COc1cc(CN)ccc1OCC(C)C Amb1126438 [1,0,0,0,0,0|1,0,2]=4 8 B15R1.1904 COc1cc(CN)ccc1OCC(C)C Amb15740705 [1,0,0,0,0,0|1,0,2]=4 9 B15R1.4059 CCc1cc(I)ccc1NC(=O)C(C)C Amb1910438 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.4059 CCc1cc(N)ccc1NC(=O)C(C)C Amb23577845 [1,0,0,0,0,0|3,0,0]=4 11 B15R1.4059 COc1cc(C)ccc1OC(=O)C(N)C Amb17339283 [1,0,0,0,0,0|1,0,1]=3 12 B15R1.4059 COc1cc(F)ccc1NC(=O)C(C)Br Amb25193699 [1,0,0,0,0,0|3,0,0]=4 13 B15R1.4059 COc1cc(F)ccc1NC(=O)C(C)Cl Amb24508197 [1,0,0,0,0,0|3,0,0]=4 14 B15R1.4059 COc1cc(F)ccc1NC(=O)C(C)N Amb24771222 [1,0,0,0,0,0|3,0,0]=4 15 B15R1.4059 COc1cc(F)ccc1NC(=O)[C@@H](C)N Amb24771476 [1,0,0,0,0,0|3,0,0]=4 16 B15R1.4059 COc1cc(F)ccc1NC(=O)[C@H](C)N Amb24771224 [1,0,0,0,0,0|3,0,0]=4 17 B15R1.4059 COc1cc(N)ccc1NC(=O)C(C)C Amb1117510 [1,0,0,0,0,0|2,0,0]=3 18 B15R1.4059 Cc1ccc(NC(=O)[C@@H](C)N)c(c1)OC Amb24771417 [1,0,0,0,0,0|2,0,1]=4 19 B15R1.4059 Cc1ccc(NC(=O)[C@H](C)N)c(c1)OC Amb24770190 [1,0,0,0,0,0|2,0,1]=4 20 B17R1.5265 CN(C)C(=O)Sc1ccc(cc1OC)[N+]([O-])=O Amb22466580 [0,1,0,0,0,0|2,1,0]=4 21 B17R1.5265 COc1cc(ccc1NC(=O)C(Cl)C)[N+](=O)[O-] Amb2279119 [0,1,0,0,0,0|3,0,0]=4 22 B17R1.5265 COc1cc(ccc1OC(=S)N(C)C)[N+]([O-])=O Amb22466573 [0,1,0,0,0,0|2,1,0]=4 23 B17R1.6649 COc1cc(C=O)ccc1OC(=O)C(C)(C)C Amb17129236 [0,1,0,0,0,0|0,0,0]=1 24 B17R1.6649 COc1cc(OC)ccc1NC(=O)C(N)(C)C Amb17078413 [0,1,0,0,0,0|3,0,0]=4 25 B17R1.28975 COc1cc(ccc1OC(=O)C(C)CC)C#N Amb20873695 [0,1,0,0,0,0|1,0,1]=3 26 B17R2.13257 COc1cc(ccc1OC(=O)C2CC2)C#N Amb21123950 [0,0,0,1,0,0|1,0,1]=3 27 B17R2.428065 COc1cc(cc2c1NC(=O)C2(C)C)OC Amb18245682 [0,0,0,1,0,0|3,0,0]=4 28 B15R1.1903 COc1cc(OC)ccc1C(=O)C(C)C Amb17195044 [0,0,0,0,1,0|2,0,0]=3 29 B15R1.1903 COc1cc(OC)ccc1C(=O)C(N)C Amb17195081 [0,0,0,0,1,0|3,0,0]=4 30 B17R1.6644 COc1cc(OC)ccc1CC(=O)OC(C)C Amb17347717 [0,0,0,0,0,1|3,0,0]=4 31 B17R1.6644 COc1cc(ccc1OC(=O)CC(C)C)C#N Amb21123953 [0,0,0,0,0,1|1,0,1]=3 32 B17R1.6645 COc1cc(C#N)ccc1OCC(=O)N(C)C Amb1172131 [0,0,0,0,0,1|2,0,1]=4 33 B17R1.6645 COc1cc(CN)ccc1OCC(=O)N(C)C Amb1120161 [0,0,0,0,0,1|2,0,1]=4 34 B17R1.6645 COc1cc(ccc1CCC(=O)C(C)C)OC Amb22478161 [0,0,0,0,0,1|3,0,0]=4 35 B17R1.6645 COc1cc(ccc1CNC(=O)C(C)C)OC Amb23914437 [0,0,0,0,0,1|3,0,0]=4 36 B14R1.3 CC(=C)C(=O)Oc1ccc(cc1)C=O Amb18650389 [2,0,0,0,0,0|0,0,2]=4 37 B14R1.3 CC(C)C(=O)Oc1ccc(CCl)cc1 Amb20667899 [2,0,0,0,0,0|1,0,1]=4 38 B14R1.3 CC(C)C(=O)Oc1ccc(cc1)C#N Amb25800814 [2,0,0,0,0,0|1,0,1]=4 39 B14R1.3 CC(C)S(=O)Nc1ccc(cc1)C=O Amb25335255 [2,0,0,0,0,0|2,0,0]=4 40 B14R1.3 COc1ccc(cc1)OC(=O)C(C)C Amb1343538 [2,0,0,0,0,0|2,0,0]=4 41 B14R1.3 O=Cc1ccc(cc1)OC(=O)C(C)C Amb17129224 [2,0,0,0,0,0|0,0,0]=2 42 B14R1.103 Cc1[n]c(C=O)ccc1OCC(C)C Amb22491756 [2,0,0,0,0,0|1,0,1]=4 43 B14R1.103 Cc1cc(C=O)ccc1OCC(C)C Amb18651268 [2,0,0,0,0,0|0,0,1]=3 44 B14R1.103 O=Cc1ccc(c(c1)N)OCC(C)C Amb17208171 [2,0,0,0,0,0|1,0,1]=4 45 B14R1.3714 Cc1cc(C=O)ccc1OC(C)CC Amb19962090 [2,0,0,0,0,0|1,0,1]=4 46 B14R1.3714 Cc1cc(ccc1OC(=O)NC)N=O Amb25738084 [2,0,0,0,0,0|2,0,0]=4 47 B14R1.3714 Oc1cc(ccc1NC(=O)CCl)C=O Amb22049891 [2,0,0,0,0,0|2,0,0]=4 48 B14R1.6049 CC(C)C(=O)Nc1ccc(N)cc1O Amb19920322 [2,0,0,0,0,0|2,0,0]=4 49 B14R1.6049 Cc1cc(N)ccc1OC(=O)N(C)C Amb25735989 [2,0,0,0,0,0|2,0,0]=4 50 B14R1.6049 Cc1cc(O)ccc1OC(=O)C(C)C Amb25059543 [2,0,0,0,0,0|0,0,1]=3 51 B14R1.6049 Cc1ccc(OC(=O)C(C)C)c(O)c1 Amb22167253 [2,0,0,0,0,0|0,0,1]=3 52 B14R1.6049 Cc1ccc(OC(=O)N(C)C)c(C)c1 Amb24100323 [2,0,0,0,0,0|1,0,1]=4 53 B14R1.6049 O=C(C(C)C)Nc1ccc(cc1C)F Amb2021234 [2,0,0,0,0,0|2,0,0]=4 54 B14R1.6049 O=C(C(C)C)Nc1ccc(cc1C)I Amb2059637 [2,0,0,0,0,0|2,0,0]=4 55 B14R1.6049 O=C(C(C)C)Nc1ccc(cc1C)N Amb1116583 [2,0,0,0,0,0|2,0,0]=4 56 B14R1.6049 O=C(C(N)C)Oc1ccc(cc1C)C Amb17336662 [2,0,0,0,0,0|1,0,1]=4 57 B14R1.6049 O=C(C(N)C)Oc1ccc(cc1C)Cl Amb17340123 [2,0,0,0,0,0|2,0,0]=4 58 B14R1.101 CC(=O)Oc1ccc(CCl)cc1OC Amb22753740 [2,0,0,0,0,0|1,0,1]=4 59 B14R1.101 CC(C)=Cc1ccc(C=O)cc1OC Amb24639151 [2,0,0,0,0,0|2,0,0]=4 60 B14R1.101 COc1cc(C#N)ccc1OC(=O)C Amb1649904 [2,0,0,0,0,0|1,0,1]=4 61 B14R1.101 COc1cc(CO)ccc1OC(=O)C Amb1109668 [2,0,0,0,0,0|0,0,2]=4 62 B14R1.1355 CCc1cc(C=O)ccc1OCCC Amb21959162 [2,0,0,0,0,0|1,0,1]=4 63 B14R1.1355 COc1cc(C=O)ccc1OCCF Amb22447365 [2,0,0,0,0,0|1,0,1]=4 64 B14R1.3417 CCC(=O)Nc1ccc(N)cc1OC Amb22587053 [2,0,0,0,0,0|2,0,0]=4 65 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F Amb10717146 [2,0,0,0,0,0|2,0,0]=4 66 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)N Amb1114060 [2,0,0,0,0,0|2,0,0]=4 67 B14R1.3417 NCC(=O)Oc1ccc(cc1OC)C Amb17336955 [2,0,0,0,0,0|1,0,1]=4 68 B14R1.3135 CCc1ccccc1NC(=O)C(C)C Amb1781758 [2,0,0,0,0,0|2,0,0]=4 69 B14R1.3135 CCc1ccccc1OC(=O)C(N)C Amb17336649 [2,0,0,0,0,0|2,0,0]=4 70 B14R1.3135 COc1ccc[n]c1NC(=O)C(C)C Amb24557378 [2,0,0,0,0,0|2,0,0]=4 71 B14R1.3135 COc1ccccc1CC(=O)C(C)C Amb19050578 [2,0,0,0,0,0|1,0,0]=3 72 B14R1.3135 COc1ccccc1NC(=O)C(C)C Amb1234367 [2,0,0,0,0,0|1,0,0]=3 73 B14R1.3135 COc1ccccc1NC(=O)C(C)I Amb23579970 [2,0,0,0,0,0|2,0,0]=4 74 B14R1.3135 COc1ccccc1NC(=O)C(C)S Amb25777774 [2,0,0,0,0,0|2,0,0]=4 75 B14R1.3135 COc1ccccc1NC(=O)C(Cl)C Amb2266287 [2,0,0,0,0,0|2,0,0]=4 76 B14R1.3135 COc1ccccc1NC(=O)C(O)C Amb11209042 [2,0,0,0,0,0|2,0,0]=4 77 B14R1.3135 COc1ccccc1NC(=O)[C@@H](C)N Amb18527918 [2,0,0,0,0,0|2,0,0]=4 78 B14R1.3135 COc1ccccc1OC(=O)C(N)C Amb17336946 [2,0,0,0,0,0|1,0,0]=3 79 B14R1.3135 COc1ncccc1NC(=O)C(C)C Amb11158381 [2,0,0,0,0,0|2,0,0]=4 80 B14R1.3135 CSc1ccccc1NC(=O)C(C)C Amb10611329 [2,0,0,0,0,0|1,1,0]=4 81 B14R1.3135 O=Cc1ccccc1OC(=O)C(C)C Amb17129223 [2,0,0,0,0,0|2,0,0]=4 82 B16R1.6701 CC(C)C(=O)Nc1ccc(cc1Br)C(O)=O Amb22288781 [1,1,0,0,0,0|2,0,0]=4 83 B16R1.6701 CC(C)C(=O)Nc1ccc(cc1F)C(O)=O Amb25395258 [1,1,0,0,0,0|2,0,0]=4 84 B16R1.6701 O=C(C(C)C)Nc1ccc(cc1C)C(=O)O Amb1117131 [1,1,0,0,0,0|1,0,0]=3 85 B16R1.6701 O=C(C(C)C)Nc1ccc(cc1I)C(=O)O Amb16232733 [1,1,0,0,0,0|2,0,0]=4 86 B16R1.2190 CCCC(=O)Oc1ccc(cc1OC)C=O Amb17129211 [1,1,0,0,0,0|0,0,0]=2 87 B16R1.2190 COc1cc(ccc1OC(=O)COC)C#N Amb21649326 [1,1,0,0,0,0|1,0,1]=4 88 B16R1.18493 COc1cc(ccc1NC(=O)CN)C(O)=O Amb18110045 [1,1,0,0,0,0|2,0,0]=4 89 B16R1.18493 COc1cc(ccc1OC(=O)CC)C(O)=O Amb19747569 [1,1,0,0,0,0|0,0,0]=2 90 B16R1.18493 COc1cc(ccc1OC(C)CC)C(N)=O Amb23539729 [1,1,0,0,0,0|1,0,1]=4 91 B16R1.9044 CCOc1cc(C=O)ccc1OCC(C)C Amb1207923 [1,1,0,0,0,0|0,0,1]=3 92 B16R1.13466 O\N=C\c1ccc(c(c1)OC)OCC(C)C Amb2269654 [1,1,0,0,0,0|0,0,2]=4 93 B16R1.14579 O=Cc1cc(N)c(c(c1)OC)OCC(C)C Amb17208271 [1,1,0,0,0,0|0,0,1]=3 94 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)Cl Amb16230161 [1,1,0,0,0,0|0,0,1]=3 95 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)N Amb1210748 [1,1,0,0,0,0|0,0,1]=3 96 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)O Amb1107194 [1,1,0,0,0,0|0,0,1]=3 97 B16R1.20139 CC(C)c1cc(C=O)ccc1OCC(C)C Amb19962310 [1,1,0,0,0,0|1,0,1]=4 98 B16R1.4714 COc1cc(N)ccc1NC(=O)C(C)(C)C Amb1113488 [1,1,0,0,0,0|2,0,0]=4 99 B16R1.4754 CCC(C(=O)Nc1ccc(cc1OC)F)C Amb15708870 [1,1,0,0,0,0|2,0,0]=4 100 B16R1.4754 CCC(C(=O)Nc1ccc(cc1OC)N)C Amb1135685 [1,1,0,0,0,0|2,0,0]=4 101 B16R1.4754 COc1cc(F)ccc1NC(=O)C(C)CN Amb25394465 [1,1,0,0,0,0|2,0,0]=4 102 B16R1.4754 Cc1ccc(NC(=O)C(C)CN)c(c1)OC Amb24778624 [1,1,0,0,0,0|1,0,1]=4 103 B16R1.4754 Cc1ccc(OC(=O)C(C)CC)c(c1)OC Amb20873090 [1,1,0,0,0,0|0,0,1]=3 104 B16R1.11625 COc1cc(N)cc(Br)c1NC(=O)C(C)C Amb23554740 [1,1,0,0,0,0|2,0,0]=4 105 B16R1.11625 COc1cc(N)cc(Cl)c1NC(=O)C(C)C Amb23554737 [1,1,0,0,0,0|2,0,0]=4 106 B16R1.12777 CCOc1cc(N)ccc1NC(=O)C(C)C Amb23527544 [1,1,0,0,0,0|2,0,0]=4 107 B16R1.20067 COc1cc(Cl)c(cc1NC(=O)C(C)C)C Amb1570899 [1,1,0,0,0,0|2,0,0]=4 108 B16R1.4747 CC(C)C(=O)c1ccc(cc1OC)C(C)C Amb18068278 [0,1,0,0,1,0|1,0,1]=4 109 B16R1.5679 COc1cc(ccc1C(=O)C(C)(C)N)OC Amb18069381 [0,1,0,0,1,0|2,0,0]=4 110 B16R1.20143 Cc1c(OC)c(ccc1OC)C(=O)C(C)C Amb18069148 [0,1,0,0,1,0|2,0,0]=4 111 B18R1.5449 COc1cc(ccc1CC(=O)OC(C)C)[N+]([O-])=O Amb18940897 [0,1,0,0,0,1|2,0,0]=4 112 B18R1.5449 COc1cc(ccc1NC(=O)CC(C)C)N([O-])=O Amb22302582 [0,1,0,0,0,1|2,0,0]=4 113 B18R1.23803 COc1cc(CC=C)ccc1OC(=O)CC(C)C Amb19177062 [0,1,0,0,0,1|1,0,0]=3 114 B18R1.27773 O=Cc1cc(Br)c(c(c1)OC)OCC(=O)N(C)C Amb2276020 [0,1,0,0,0,1|1,0,0]=3 115 B18R1.76219 COc1cc(C#N)ccc1OCC(=O)C(C)(C)C Amb132769 [0,1,0,0,0,1|1,0,1]=4 116 B18R1.130682 CCOc1cc(C=O)ccc1OCC(=O)N(C)C Amb2277702 [0,1,0,0,0,1|1,0,0]=3 117 B18R1.5448 CCC(C)C(=O)Nc1ccc(cc1OC)N([O-])=O Amb22290774 [0,2,0,0,0,0|2,0,0]=4 118 B18R1.5448 CNC(C)C(=O)Nc1ccc(cc1OC)[N+]([O-])=O Amb23911452 [0,2,0,0,0,0|2,0,0]=4 119 B18R1.181720 CCOc1cc(C=O)ccc1OC(=O)C(C)(C)C Amb17129233 [0,2,0,0,0,0|0,0,0]=2 120 B18R1.5512 COc1cc(ccc1NC(=O)C(C)C)NC(N)=S Amb21969610 [0,2,0,0,0,0|1,1,0]=4 121 B18R1.64624 COc1cc(ccc1OC(=O)C(C)CCC)C#N Amb21123958 [0,2,0,0,0,0|1,0,1]=4 122 B16R2.203792 CC1(C)COc2ccc(C=O)cc2OC1 Amb23350629 [1,0,0,1,0,0|0,0,1]=3 123 B16R2.204853 CCc1cc(C=O)ccc1OCC2CC2 Amb21959163 [1,0,0,1,0,0|1,0,1]=4 124 B16R2.54919 COc1cc(N)ccc1NC(=O)C2CC2 Amb1121500 [1,0,0,1,0,0|2,0,0]=4 125 B16R2.128835 Brc1ccc2c(c1)OCC(C(=O)N2)(C)C Amb17574698 [1,0,0,1,0,0|2,0,0]=4 126 B16R2.128835 Nc1ccc2c(c1)OCC(C(=O)N2)(C)C Amb17571166 [1,0,0,1,0,0|2,0,0]=4 127 B16R2.198863 Cc1cc2c(NC(=O)C2(C)C)c(c1)OC Amb18895366 [1,0,0,1,0,0|1,0,1]=4 128 B16R2.8380 COc1cc(OC)ccc1C(=O)C2CC2 Amb17194940 [0,0,0,1,1,0|2,0,0]=4 129 B18R2.59005 O=C1Nc2ccc(cc2OCC1(C)C)C(=O)O Amb17572654 [0,1,0,1,0,0|1,0,0]=3 130 B18R2.72196 CC(=O)c1cc2CCN(C(=O)C(C)C)c2cc1 Amb18105526 [0,1,0,1,0,0|2,0,0]=4 131 B18R2.72196 CC(C)C(=O)N1CCc2cc(ccc12)C(N)=O Amb20369801 [0,1,0,1,0,0|2,0,0]=4 132 B14R1.102 CC(Br)C(=O)c1ccc(cc1Cl)C=O Amb25247614 [1,0,0,0,1,0|2,0,0]=4 133 B14R1.102 CC(Br)C(=O)c1ccc(cc1F)C=O Amb24616439 [1,0,0,0,1,0|2,0,0]=4 134 B14R1.102 CC(Cl)C(=O)c1ccc(cc1F)C=O Amb24575006 [1,0,0,0,1,0|2,0,0]=4 135 B14R1.102 CC(Cl)C(=O)c1ccc(cc1I)C=O Amb24575013 [1,0,0,0,1,0|2,0,0]=4 136 B14R1.102 CSc1cc(O)c(cc1)C(=O)C(C)C Amb24689475 [1,0,0,0,1,0|2,0,0]=4 137 B14R1.102 Cc1cc(C=O)ccc1N(C)C(C)C Amb19050272 [1,0,0,0,1,0|2,0,0]=4 138 B14R1.2334 CCC(=O)c1ccc(cc1OC)C#N Amb24664636 [1,0,0,0,1,0|1,0,1]=4 139 B14R1.2334 COc1cc(ccc1C(=O)OC)C=O Amb24057219 [1,0,0,0,1,0|1,0,0]=3 140 B14R1.1592 COc1cc(Br)ccc1C(=O)C(C)Br Amb25062036 [1,0,0,0,1,0|2,0,0]=4 141 B14R1.1592 COc1cc(Br)ccc1C(=O)C(C)C Amb25303649 [1,0,0,0,1,0|1,0,0]=3 142 B14R1.1592 COc1cc(Br)ccc1C(=O)C(C)Cl Amb25040645 [1,0,0,0,1,0|2,0,0]=4 143 B14R1.1592 COc1cc(Cl)ccc1C(=O)C(C)C Amb25715107 [1,0,0,0,1,0|1,0,0]=3 144 B14R1.1592 COc1cc(Cl)ccc1C(=O)N(C)C Amb14375449 [1,0,0,0,1,0|2,0,0]=4 145 B14R1.1592 COc1cc(F)ccc1C(=O)C(C)N Amb25086028 [1,0,0,0,1,0|2,0,0]=4 146 B14R1.1592 COc1cc(I)ccc1C(=O)C(C)Br Amb24663179 [1,0,0,0,1,0|2,0,0]=4 147 B14R1.1592 COc1cc(N)ccc1C(=O)N(C)C Amb24393195 [1,0,0,0,1,0|2,0,0]=4 148 B14R1.1592 COc1cc(N)ccc1S(=O)C(C)C Amb24580551 [1,0,0,0,1,0|2,0,0]=4 149 B14R1.1592 Cc1ccc(c(c1)OC)C(=O)C(C)Cl Amb25254867 [1,0,0,0,1,0|1,0,1]=4 150 B16R1.5639 CN(C)C(=O)COc1ccc(cc1Cl)C=O Amb23504216 [1,0,0,0,0,1|2,0,0]=4 151 B16R1.1772 COc1cc(C=O)ccc1OCCC(C)C Amb1103353 [1,0,0,0,0,1|0,0,1]=3 152 B16R1.4713 COc1cc(N)ccc1NC(=O)CC(C)C Amb1120610 [1,0,0,0,0,1|2,0,0]=4 153 B16R1.4713 COc1cc(N)ccc1NC(=O)CC(C)C Amb13949170 [1,0,0,0,0,1|2,0,0]=4 154 B16R1.5658 COc1ccc(cc1NC(=O)C(C)C)C=O Amb17467704 [0,0,0,0,1,1|1,0,0]=3