0 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(CO)[n]1 Amb18136491 [0,0,0,0,0,0|1,0,0]=1 1 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(CO)[n]1 Amb22731578 [0,0,0,0,0,0|1,0,0]=1 2 B17R1.5286 CC(C)(C)NCC(O)c1ccc(O)c(c1)OC Amb22055754 [0,0,0,0,0,0|2,0,0]=2 3 B17R1.5286 CC(C)(C)NC[C@@H](O)c1cc(CO)c(O)cc1 Amb20242135 [0,0,0,0,0,0|0,0,0]=0 4 B17R1.5286 CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 Amb22745906 [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 Amb22757583 [0,0,0,0,0,0|0,0,0]=0 6 B17R1.5286 N#Cc1cc(ccc1N)C(CNC(C)(C)C)O Amb17611173 [0,0,0,0,0,0|2,0,1]=3 7 B17R1.5286 O=Cc1cc(ccc1O)C(CNC(C)(C)C)O Amb17607766 [0,0,0,0,0,0|0,0,2]=2 8 B17R1.5286 OCc1cc(ccc1O)C(=O)CNC(C)(C)C Amb17620016 [0,0,0,0,0,0|0,0,2]=2 9 B17R1.5286 OCc1cc(ccc1O)C(CNC(C)(C)C)O Amb17607767 [0,0,0,0,0,0|0,0,0]=0 10 B17R1.5286 OCc1cc(ccc1O)[C@@H](CNC(C)(C)C)O Amb17607765 [0,0,0,0,0,0|0,0,0]=0 11 B16R1.4709 CC(C)NCC(O)c1ccc(O)c(c1)OC Amb22483907 [1,0,0,0,0,0|2,0,0]=3 12 B16R1.16536 CC(C)(C)NCC(=O)c1ccc(O)c(O)c1 Amb18134387 [1,0,0,0,0,0|0,0,2]=3 13 B16R1.16536 CC(C)(C)NCC(=O)c1ccc(O)c(O)c1 Amb24064104 [1,0,0,0,0,0|0,0,2]=3 14 B16R1.16536 CC(C)(C)NCC(O)c1cc(O)c(O)cc1 Amb22054651 [1,0,0,0,0,0|0,0,0]=1 15 B16R1.16536 CC(C)(C)NCC(O)c1ccc(Cl)c(N)c1 Amb18229355 [1,0,0,0,0,0|2,0,0]=3 16 B16R1.16536 CC(C)(C)NCC(O)c1ccc(F)c(N)c1 Amb18867702 [1,0,0,0,0,0|2,0,0]=3 17 B16R1.16536 Cc1cc(ccc1Cl)C(O)CNC(C)(C)C Amb18093929 [1,0,0,0,0,0|1,0,0]=2 18 B16R1.16536 Cc1cc(ccc1O)C(O)CNC(C)(C)C Amb22751670 [1,0,0,0,0,0|0,0,0]=1 19 B16R1.16536 Cc1ccc(cc1N)C(O)CNC(C)(C)C Amb18227247 [1,0,0,0,0,0|2,0,0]=3 20 B16R1.16536 O=C(c1ccc(c(c1)C)F)CNC(C)(C)C Amb17342799 [1,0,0,0,0,0|1,0,2]=4 21 B16R1.16536 OC(c1ccc(c(c1)C)C)CNC(C)(C)C Amb17342211 [1,0,0,0,0,0|1,0,0]=2 22 B16R1.16536 OC(c1ccc(c(c1)C)F)CNC(C)(C)C Amb17343396 [1,0,0,0,0,0|1,0,0]=2 23 B16R1.16536 OC(c1ccc(c(c1)F)F)CNC(C)(C)C Amb17344283 [1,0,0,0,0,0|2,0,0]=3 24 B16R1.16536 OC(c1ccc(c(c1)O)O)CNC([2H])([2H])[2H] Amb17613701 [1,0,0,0,0,0|3,0,0]=4 25 B16R1.16536 [2H]C([2H])([2H])NC[C@@H](O)c1cc(O)c(O)cc1 Amb19132114 [1,0,0,0,0,0|3,0,0]=4 26 B18R1.5605 COC(c1ccc(c(c1)CO)O)CNC(C)(C)C Amb17607770 [0,1,0,0,0,0|0,0,0]=1 27 B18R1.18509 CC(C)(C)NCC(O)c1cc(CO)c(O)c(O)c1 Amb22055401 [0,1,0,0,0,0|0,0,0]=1 28 B18R1.32424 CC(C)(C)NCC(O)c1cc(c(F)cc1)[N+]([O-])=O Amb18094888 [0,1,0,0,0,0|2,0,1]=4 29 B18R1.89641 CC(C)(C)NCC(O)c1ccc(O)c(OC)c1Cl Amb22232683 [0,1,0,0,0,0|2,0,0]=3 30 B18R1.277939 COc1cc(ccc1OC)C(CNC(C)(C)C)O Amb17161707 [0,1,0,0,0,0|2,0,0]=3 31 B18R2.128598 OC(c1ccc2c(c1)CCC2)CNC(C)(C)C Amb17345723 [0,0,0,1,0,0|2,0,0]=3 32 B18R2.128598 OC(c1ccc2c(c1)OCO2)CNC(C)(C)C Amb17158376 [0,0,0,1,0,0|2,0,0]=3 33 B15R1.889 CC(C)NCC(O)C1=CC(=O)C(O)=CN1 Amb24062663 [2,0,0,0,0,0|1,0,1]=4 34 B15R1.889 CC(C)NCC(O)c1ccc(Br)c(N)c1 Amb18233762 [2,0,0,0,0,0|2,0,0]=4 35 B15R1.889 CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 Amb22477495 [2,0,0,0,0,0|2,0,0]=4 36 B15R1.889 CC(C)NCC(O)c1ccc(Cl)c(F)c1 Amb19031309 [2,0,0,0,0,0|2,0,0]=4 37 B15R1.889 CC(C)NCC(O)c1ccc(F)c(N)c1 Amb18866338 [2,0,0,0,0,0|2,0,0]=4 38 B15R1.889 CC(C)NCC(O)c1ccc(O)c(O)c1 Amb22168471 [2,0,0,0,0,0|0,0,0]=2 39 B15R1.889 CC(C)NCC(O)c1ccc(O)c(O)c1 Amb22730032 [2,0,0,0,0,0|0,0,0]=2 40 B15R1.889 CC(C)NCC(O)c1ccc(O)c(O)c1 Amb22732498 [2,0,0,0,0,0|0,0,0]=2 41 B15R1.889 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 Amb22351354 [2,0,0,0,0,0|0,0,0]=2 42 B15R1.889 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 Amb22746093 [2,0,0,0,0,0|0,0,0]=2 43 B15R1.889 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1 Amb22801135 [2,0,0,0,0,0|0,0,0]=2 44 B15R1.889 CC(C)NC[C@H](O)c1ccc(O)c(O)c1 Amb22352236 [2,0,0,0,0,0|0,0,0]=2 45 B15R1.889 CC(C)NC[C@H](O)c1ccc(O)c(O)c1 Amb22473182 [2,0,0,0,0,0|0,0,0]=2 46 B15R1.889 CC(NCC(=O)c1ccc(c(c1)O)O)C Amb2227636 [2,0,0,0,0,0|0,0,2]=4 47 B15R1.889 CC(NCC(c1ccc(c(c1)C)C)O)C Amb17338883 [2,0,0,0,0,0|1,0,0]=3 48 B15R1.889 CC(NCC(c1ccc(c(c1)C)F)O)C Amb17339684 [2,0,0,0,0,0|1,0,0]=3 49 B15R1.889 CC(NCC(c1ccc(c(c1)F)F)O)C Amb17340348 [2,0,0,0,0,0|2,0,0]=4 50 B15R1.889 Cc1cc(ccc1Cl)C(O)CNC(C)C Amb18093970 [2,0,0,0,0,0|1,0,0]=3 51 B15R1.889 Cc1ccc(cc1N)C(O)CNC(C)C Amb18865844 [2,0,0,0,0,0|2,0,0]=4 52 B15R1.61 CC(C)(C)CCNc1cccc(CO)c1 Amb24271749 [2,0,0,0,0,0|2,0,0]=4 53 B15R1.61 CC(C)(C)CNCc1cccc(CO)c1 Amb24774979 [2,0,0,0,0,0|2,0,0]=4 54 B15R1.887 CC(C)(C)NCCc1ccc(F)c(Cl)c1 Amb18246244 [2,0,0,0,0,0|2,0,0]=4 55 B15R1.887 CC(C)(C)N\N=C/c1cc(O)c(O)cc1 Amb24103344 [2,0,0,0,0,0|1,0,1]=4 56 B15R1.887 Clc1ccc(cc1Cl)CCNC(C)(C)C Amb17411508 [2,0,0,0,0,0|2,0,0]=4 57 B15R1.892 CC(C)(C)NCC(O)c1ccc(N)cc1 Amb18656315 [2,0,0,0,0,0|1,0,0]=3 58 B15R1.892 CC(C)(C)NCC(O)c1ccc(O)cc1 Amb18656591 [2,0,0,0,0,0|0,0,0]=2 59 B15R1.892 Cc1ccc(cc1)C(CNC(C)(C)C)O Amb17140231 [2,0,0,0,0,0|1,0,0]=3 60 B15R1.892 OC(c1ccc(cc1)Br)CNC(C)(C)C Amb17167540 [2,0,0,0,0,0|1,0,0]=3 61 B15R1.892 OC(c1ccc(cc1)Cl)CNC(C)(C)C Amb17142392 [2,0,0,0,0,0|1,0,0]=3 62 B15R1.892 OC(c1ccc(cc1)F)CNC(C)(C)C Amb17140619 [2,0,0,0,0,0|1,0,0]=3 63 B15R1.8277 Brc1cccc(c1)C(CNC(C)(C)C)O Amb17167539 [2,0,0,0,0,0|1,0,0]=3 64 B15R1.8277 Cc1cccc(c1)C(CNC(C)(C)C)O Amb17140230 [2,0,0,0,0,0|0,0,0]=2 65 B15R1.8277 Clc1cccc(c1)C(CNC(C)(C)C)O Amb17142391 [2,0,0,0,0,0|1,0,0]=3 66 B17R1.4636 CCc1cc(CCNC(C)(C)C)ccc1OC Amb17409075 [1,1,0,0,0,0|1,0,0]=3 67 B17R1.4636 COc1cc(CCNC(C)(C)C)ccc1OC Amb17409692 [1,1,0,0,0,0|2,0,0]=4 68 B17R1.13317 Cc1cc(ccc1C)C(O)CNC(C)(C)CO Amb18093253 [1,1,0,0,0,0|1,0,0]=3 69 B17R1.13317 Cc1cc(ccc1Cl)C(O)CNC(C)(C)CO Amb18605417 [1,1,0,0,0,0|1,0,0]=3 70 B17R1.13317 Cc1cc(ccc1F)C(O)CNC(C)(C)CO Amb18606615 [1,1,0,0,0,0|1,0,0]=3 71 B17R1.23501 CC(NC(C)(C)C)C(O)c1cc(C)c(C)cc1 Amb18093266 [1,1,0,0,0,0|1,0,0]=3 72 B17R1.23501 Cc1cc(ccc1Cl)C(O)C(C)NC(C)(C)C Amb18605429 [1,1,0,0,0,0|1,0,0]=3 73 B17R1.23501 Cc1cc(ccc1F)C(O)C(C)NC(C)(C)C Amb18094778 [1,1,0,0,0,0|1,0,0]=3 74 B17R1.23501 O=C(C(c1ccc(c(c1)C)C)O)NC(C)(C)C Amb17408992 [1,1,0,0,0,0|1,0,1]=4 75 B17R1.23501 O=C(C(c1ccc(c(c1)C)F)O)NC(C)(C)C Amb17410061 [1,1,0,0,0,0|1,0,1]=4 76 B17R1.23719 Cc1ccc(cc1C)C(CNC(C)(C)C)(O)C Amb17158029 [1,1,0,0,0,0|1,0,0]=3 77 B17R1.23719 Fc1ccc(cc1C)C(CNC(C)(C)C)(O)C Amb17158825 [1,1,0,0,0,0|1,0,0]=3 78 B17R1.47980 COc1ccc(cc1Cl)C(O)CCC(C)(C)C Amb23998131 [1,1,0,0,0,0|2,0,0]=4 79 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 80 B17R1.304823 CC(C)(C)NCC(O)c1cc(Br)c(N)c(Br)c1 Amb22054535 [1,1,0,0,0,0|2,0,0]=4 81 B17R1.17766 CCOc1cccc(c1)C(CNC(C)(C)C)O Amb17158472 [1,1,0,0,0,0|1,0,0]=3 82 B17R1.28379 CC(NC(C)(C)C)C(O)c1cc(ccc1)OC Amb18094306 [1,1,0,0,0,0|2,0,0]=4 83 B17R1.45822 COc1cc(ccc1)C(O)CNC(C)(C)CO Amb18605963 [1,1,0,0,0,0|2,0,0]=4 84 B19R1.461917 CC(NC(C)(C)C)C(O)c1cc(OC)c(cc1)OC Amb18094349 [0,2,0,0,0,0|2,0,0]=4 85 B19R1.42973 CC(C)(C)NCC(O)c1cc(NC(N)=O)c(O)cc1 Amb22054645 [0,2,0,0,0,0|0,0,2]=4 86 B19R1.77910 COc1ccc(cc1C(C)C)C(CNC(C)(C)C)O Amb17361020 [0,2,0,0,0,0|1,0,0]=3 87 B19R1.632601 COc1ccc(cc1OC)C(O)CNC(C)(C)CO Amb18606060 [0,2,0,0,0,0|2,0,0]=4 88 B19R1.632574 COc1cc(ccc1OC)C(CNC(C)(C)C)(O)C Amb17165718 [0,2,0,0,0,0|2,0,0]=4 89 B17R2.10105 CC(NCC(c1ccc2c(c1)CCC2)O)C Amb17341443 [1,0,0,1,0,0|2,0,0]=4 90 B17R2.10105 CC(NCC(c1ccc2c(c1)OCO2)O)C Amb17141734 [1,0,0,1,0,0|2,0,0]=4 91 B17R2.154323 CC(C)(C)NCCc1cc2CCCc2cc1 Amb18244825 [1,0,0,1,0,0|2,0,0]=4 92 B17R2.154323 CC(C)(C)NCCc1cc2CCNc2cc1 Amb18050724 [1,0,0,1,0,0|2,0,0]=4 93 B17R2.154323 CC(C)(C)NCCc1cc2[n]coc2cc1 Amb18244969 [1,0,0,1,0,0|2,0,0]=4 94 B17R2.154323 CC(NCCc1ccc2c(c1)OCO2)(C)C Amb17405855 [1,0,0,1,0,0|2,0,0]=4 95 B17R2.402 Cc1cc(ccc1F)C2CNC(C)(C)CO2 Amb18069487 [1,0,0,1,0,0|1,0,0]=3 96 B19R2.261116 CC(NC(C)(C)C)C(O)c1cc2CCCc2cc1 Amb18094588 [0,1,0,1,0,0|2,0,0]=4 97 B19R2.210944 CC(C)(C)CCC(O)c1cc2OCCOc2cc1 Amb23997783 [0,1,0,1,0,0|2,0,0]=4 98 B19R2.210944 OC(c1ccc2c(c1)CCCC2)CNC(C)(C)C Amb17351365 [0,1,0,1,0,0|2,0,0]=4 99 B19R2.210944 OC(c1ccc2c(c1)OCCO2)CNC(C)(C)C Amb17161213 [0,1,0,1,0,0|1,0,0]=3 100 B19R2.89235 CC(C)(CO)NCC(O)c1cc2CCCc2cc1 Amb18606365 [0,1,0,1,0,0|2,0,0]=4 101 B19R2.18902 COc1ccc(cc1CC)C2CNC(C)(C)CO2 Amb18582539 [0,1,0,1,0,0|1,0,0]=3 102 B19R3.2285135 CC1(C)COC(CN1)c2cc3CCCc3cc2 Amb18573124 [0,0,0,2,0,0|2,0,0]=4 103 B15R1.4027 COc1cc(CNC(C)(C)C)ccc1O Amb10609407 [1,0,0,0,1,0|2,0,0]=4 104 B15R1.4027 COc1cc(CNC(C)(C)C)ccc1O Amb1119546 [1,0,0,0,1,0|2,0,0]=4 105 B15R1.923 Cc1cc(ccc1C)C(Cl)CC(C)(C)C Amb25798770 [1,0,0,0,1,0|2,0,0]=4 106 B15R1.923 Cc1cc(ccc1F)C(Br)CC(C)(C)C Amb25827347 [1,0,0,0,1,0|2,0,0]=4 107 B15R1.923 Cc1cc(ccc1F)C(Cl)CC(C)(C)C Amb25756317 [1,0,0,0,1,0|2,0,0]=4 108 B15R1.923 Cc1cc(ccc1F)C(N)CC(C)(C)C Amb18568949 [1,0,0,0,1,0|2,0,0]=4 109 B17R1.1145 CC(C)(C)CNCC(O)c1cc(F)c(F)cc1 Amb23927833 [1,0,0,0,0,1|2,0,0]=4 110 B17R1.6268 CC(CSC(C)(C)C)Nc1cc(CO)ccc1 Amb24211636 [1,0,0,0,0,1|2,0,0]=4 111 B17R1.28365 COc1cccc(c1)C(CCNC(C)(C)C)O Amb17347545 [1,0,0,0,0,1|2,0,0]=4