0 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Amb17607767 [0,0,0,0,0,0|0,0,0]=0 1 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Amb828116 [0,0,0,0,0,0|0,0,0]=0 2 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Amb8627813 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(CO)n1 Amb18136491 [0,0,0,0,0,0|1,0,0]=1 4 B17R1.5286 CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 Amb22757583 [0,0,0,0,0,0|0,0,0]=0 5 B17R1.5286 CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 Amb28524710 [0,0,0,0,0,0|0,0,0]=0 6 B17R1.5286 CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 Amb19134631 [0,0,0,0,0,0|0,0,0]=0 7 B17R1.5286 CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 Amb8387008 [0,0,0,0,0,0|0,0,0]=0 8 B16R1.4709 CC(C)NCC(O)c1ccc(N)c(C#N)c1 Amb8395246 [1,0,0,0,0,0|2,0,1]=4 9 B16R1.16536 CC(C)(C)NCC(O)c1ccc(Cl)c(N)c1 Amb18229355 [1,0,0,0,0,0|2,0,0]=3 10 B16R1.16536 CC(C)(C)NCC(O)c1ccc(F)c(F)c1 Amb17344283 [1,0,0,0,0,0|2,0,0]=3 11 B16R1.16536 CC(C)(C)NCC(O)c1ccc(F)c(N)c1 Amb18867702 [1,0,0,0,0,0|2,0,0]=3 12 B16R1.16536 Cc1cc(C(=O)CNC(C)(C)C)ccc1F Amb17342799 [1,0,0,0,0,0|1,0,2]=4 13 B16R1.16536 Cc1cc(C(O)CNC(C)(C)C)ccc1Cl Amb18093929 [1,0,0,0,0,0|1,0,0]=2 14 B16R1.16536 Cc1cc(C(O)CNC(C)(C)C)ccc1F Amb17343396 [1,0,0,0,0,0|1,0,0]=2 15 B16R1.16536 Cc1ccc(C(O)CNC(C)(C)C)cc1C Amb17342211 [1,0,0,0,0,0|1,0,0]=2 16 B16R1.16536 Cc1ccc(C(O)CNC(C)(C)C)cc1N Amb18227247 [1,0,0,0,0,0|2,0,0]=3 17 B18R1.32424 CC(C)(C)NCC(O)c1ccc(F)c([N+](=O)[O-])c1 Amb18094888 [0,1,0,0,0,0|2,0,1]=4 18 B18R1.89641 COc1c(O)ccc(C(O)CNC(C)(C)C)c1Cl Amb22232683 [0,1,0,0,0,0|2,0,0]=3 19 B18R2.128598 CC(C)(C)NCC(O)c1ccc2c(c1)CCC2 Amb17345723 [0,0,0,1,0,0|2,0,0]=3 20 B18R2.128598 CC(C)(C)NCC(O)c1ccc2c(c1)OCO2 Amb17158376 [0,0,0,1,0,0|2,0,0]=3 21 B15R1.889 CC(C)NCC(=O)c1ccc(O)c(O)c1 Amb2227636 [2,0,0,0,0,0|0,0,2]=4 22 B15R1.889 CC(C)NCC(=O)c1ccc(O)c(O)c1 Amb533510 [2,0,0,0,0,0|0,0,2]=4 23 B15R1.889 CC(C)NCC(O)c1ccc(Br)c(N)c1 Amb18233762 [2,0,0,0,0,0|2,0,0]=4 24 B15R1.889 CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 Amb4019491 [2,0,0,0,0,0|2,0,0]=4 25 B15R1.889 CC(C)NCC(O)c1ccc(F)c(F)c1 Amb17340348 [2,0,0,0,0,0|2,0,0]=4 26 B15R1.889 CC(C)NCC(O)c1ccc(F)c(N)c1 Amb18866338 [2,0,0,0,0,0|2,0,0]=4 27 B15R1.889 CC(C)NCC(O)c1ccc(O)c(O)c1 Amb22730032 [2,0,0,0,0,0|0,0,0]=2 28 B15R1.889 CC(C)NCC(O)c1ccc(O)c(O)c1 Amb2719980 [2,0,0,0,0,0|0,0,0]=2 29 B15R1.889 CC(C)NCC(O)c1ccc(O)c(O)c1 Amb532945 [2,0,0,0,0,0|0,0,0]=2 30 B15R1.889 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 Amb22351354 [2,0,0,0,0,0|0,0,0]=2 31 B15R1.889 CC(C)[NH2+]CC(O)c1ccc(O)c(O)c1 Amb4283600 [2,0,0,0,0,0|0,0,1]=3 32 B15R1.889 Cc1cc(C(O)CNC(C)C)ccc1Cl Amb18093970 [2,0,0,0,0,0|1,0,0]=3 33 B15R1.889 Cc1cc(C(O)CNC(C)C)ccc1F Amb17339684 [2,0,0,0,0,0|1,0,0]=3 34 B15R1.889 Cc1ccc(C(O)CNC(C)C)cc1C Amb17338883 [2,0,0,0,0,0|1,0,0]=3 35 B15R1.889 Cc1ccc(C(O)CNC(C)C)cc1N Amb18865844 [2,0,0,0,0,0|2,0,0]=4 36 B15R1.887 CC(C)(C)NCCc1ccc(Cl)c(Cl)c1 Amb17411508 [2,0,0,0,0,0|2,0,0]=4 37 B15R1.887 CC(C)(C)NCCc1ccc(F)c(Cl)c1 Amb18246244 [2,0,0,0,0,0|2,0,0]=4 38 B15R1.887 Cc1cc(CCNC(C)(C)C)ccc1Cl Amb33252492 [2,0,0,0,0,0|1,0,0]=3 39 B15R1.892 CC(C)(C)NCC(O)c1ccc(Br)cc1 Amb17167540 [2,0,0,0,0,0|1,0,0]=3 40 B15R1.892 CC(C)(C)NCC(O)c1ccc(Cl)cc1 Amb17142392 [2,0,0,0,0,0|1,0,0]=3 41 B15R1.892 CC(C)(C)NCC(O)c1ccc(F)cc1 Amb17140619 [2,0,0,0,0,0|1,0,0]=3 42 B15R1.892 CC(C)(C)NCC(O)c1ccc(N)cc1 Amb18656315 [2,0,0,0,0,0|1,0,0]=3 43 B15R1.892 Cc1ccc(C(O)CNC(C)(C)C)cc1 Amb17140231 [2,0,0,0,0,0|1,0,0]=3 44 B15R1.8277 CC(C)(C)NCC(O)c1cccc(Br)c1 Amb17167539 [2,0,0,0,0,0|1,0,0]=3 45 B15R1.8277 CC(C)(C)NCC(O)c1cccc(Cl)c1 Amb17142391 [2,0,0,0,0,0|1,0,0]=3 46 B15R1.8277 Cc1cccc(C(O)CNC(C)(C)C)c1 Amb17140230 [2,0,0,0,0,0|0,0,0]=2 47 B17R1.13317 Cc1cc(C(O)CNC(C)(C)CO)ccc1Cl Amb18605417 [1,1,0,0,0,0|1,0,0]=3 48 B17R1.13317 Cc1cc(C(O)CNC(C)(C)CO)ccc1F Amb18606615 [1,1,0,0,0,0|1,0,0]=3 49 B17R1.13317 Cc1ccc(C(O)CNC(C)(C)CO)cc1C Amb18093253 [1,1,0,0,0,0|1,0,0]=3 50 B17R1.23501 Cc1cc(C(O)C(=O)NC(C)(C)C)ccc1F Amb17410061 [1,1,0,0,0,0|1,0,1]=4 51 B17R1.23501 Cc1cc(C(O)C(C)NC(C)(C)C)ccc1Cl Amb18605429 [1,1,0,0,0,0|1,0,0]=3 52 B17R1.23501 Cc1cc(C(O)C(C)NC(C)(C)C)ccc1F Amb18094778 [1,1,0,0,0,0|1,0,0]=3 53 B17R1.23501 Cc1ccc(C(O)C(=O)NC(C)(C)C)cc1C Amb17408992 [1,1,0,0,0,0|1,0,1]=4 54 B17R1.23501 Cc1ccc(C(O)C(C)NC(C)(C)C)cc1C Amb18093266 [1,1,0,0,0,0|1,0,0]=3 55 B17R1.23719 Cc1cc(C(C)(O)CNC(C)(C)C)ccc1F Amb17158825 [1,1,0,0,0,0|1,0,0]=3 56 B17R1.23719 Cc1ccc(C(C)(O)CNC(C)(C)C)cc1C Amb17158029 [1,1,0,0,0,0|1,0,0]=3 57 B17R1.304823 CC(C)(C)NCC(O)c1cc(Br)c(N)c(Br)c1 Amb18046984 [1,1,0,0,0,0|2,0,0]=4 58 B17R1.304823 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Amb6297340 [1,1,0,0,0,0|2,0,0]=4 59 B17R1.304823 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 Amb8383533 [1,1,0,0,0,0|2,0,0]=4 60 B17R1.28379 COc1cccc(C(O)C(C)NC(C)(C)C)c1 Amb18094306 [1,1,0,0,0,0|2,0,0]=4 61 B17R1.45822 COc1cccc(C(O)CNC(C)(C)CO)c1 Amb18605963 [1,1,0,0,0,0|2,0,0]=4 62 B19R1.461917 COc1ccc(C(O)C(C)NC(C)(C)C)cc1OC Amb18094349 [0,2,0,0,0,0|2,0,0]=4 63 B19R1.632601 COc1ccc(C(O)CNC(C)(C)CO)cc1OC Amb18606060 [0,2,0,0,0,0|2,0,0]=4 64 B17R2.10105 CC(C)NCC(N)c1ccc2c(c1)CCO2 Amb33042159 [1,0,0,1,0,0|2,0,0]=4 65 B17R2.10105 CC(C)NCC(O)c1ccc2c(c1)CCC2 Amb17341443 [1,0,0,1,0,0|2,0,0]=4 66 B17R2.10105 CC(C)NCC(O)c1ccc2c(c1)OCO2 Amb17141734 [1,0,0,1,0,0|2,0,0]=4 67 B17R2.154323 CC(C)(C)NCCc1ccc2c(c1)CCC2 Amb18244825 [1,0,0,1,0,0|2,0,0]=4 68 B17R2.154323 CC(C)(C)NCCc1ccc2c(c1)CCN2 Amb18050724 [1,0,0,1,0,0|2,0,0]=4 69 B17R2.154323 CC(C)(C)NCCc1ccc2c(c1)OCO2 Amb17405855 [1,0,0,1,0,0|2,0,0]=4 70 B17R2.154323 CC(C)(C)NCCc1ccc2ocnc2c1 Amb18244969 [1,0,0,1,0,0|2,0,0]=4 71 B17R2.402 Cc1cc(C2CNC(C)(C)CO2)ccc1F Amb18069487 [1,0,0,1,0,0|1,0,0]=3 72 B17R2.2658 CC1(C)COC(c2cccc(C#N)c2)CN1 Amb31136150 [1,0,0,1,0,0|1,0,1]=4 73 B17R2.2658 COc1cccc(C2CNC(C)(C)CO2)c1 Amb5750979 [1,0,0,1,0,0|2,0,0]=4 74 B19R2.261116 CC(NC(C)(C)C)C(O)c1ccc2c(c1)CCC2 Amb18094588 [0,1,0,1,0,0|2,0,0]=4 75 B19R2.210944 CC(C)(C)NCC(O)c1ccc2c(c1)CCCC2 Amb17351365 [0,1,0,1,0,0|2,0,0]=4 76 B19R2.210944 CC(C)(C)NCC(O)c1ccc2c(c1)OCCO2 Amb17161213 [0,1,0,1,0,0|1,0,0]=3 77 B19R2.89235 CC(C)(CO)NCC(O)c1ccc2c(c1)CCC2 Amb18606365 [0,1,0,1,0,0|2,0,0]=4 78 B19R2.18902 CCc1cc(C2CNC(C)(C)CO2)ccc1OC Amb18582539 [0,1,0,1,0,0|1,0,0]=3 79 B19R2.18902 COc1ccc(C2CNC(C)(C)CO2)cc1OC Amb5750991 [0,1,0,1,0,0|2,0,0]=4 80 B19R3.2285135 CC1(C)COC(c2ccc3c(c2)CCC3)CN1 Amb18573124 [0,0,0,2,0,0|2,0,0]=4 81 B19R3.2285135 CC1(C)COC(c2ccc3c(c2)OCO3)CN1 Amb5750993 [0,0,0,2,0,0|2,0,0]=4 82 B15R1.4027 COc1cc(CNC(C)(C)C)ccc1O Amb10609407 [1,0,0,0,1,0|2,0,0]=4 83 B15R1.4027 COc1cc(CNC(C)(C)C)ccc1O Amb1119546 [1,0,0,0,1,0|2,0,0]=4 84 B15R1.923 Cc1cc(C(N)CC(C)(C)C)ccc1F Amb18568949 [1,0,0,0,1,0|2,0,0]=4