0 B17R2.204604 CC1=CC(C)(C)Nc2ccc(cc12)OCC Amb22283518 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.204604 CCOc1ccc2c(c1)C(=CC(N2)(C)C)C Amb1058793 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.204604 CCOc1ccc2c(c1)C(C)CC(N2)(C)C Amb1058789 [0,0,0,0,0,0|0,0,2]=2 3 B16R2.107862 CC1=CC(=O)Oc2ccc(cc12)OCC Amb19527601 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.107862 CC1=CC(=O)c2cc(ccc2N1)OCC Amb20250820 [1,0,0,0,0,0|1,0,1]=3 5 B16R2.107862 CC1=CC(=S)Nc2ccc(cc12)OCC Amb18038019 [1,0,0,0,0,0|1,0,1]=3 6 B16R2.107862 CCOc1ccc2c(c1)c(C)cc(n2)Cl Amb17318984 [1,0,0,0,0,0|1,0,2]=4 7 B16R2.107862 CCOc1ccc2c(c1)c(C)cc(n2)N Amb17595379 [1,0,0,0,0,0|1,0,2]=4 8 B16R2.107862 CCOc1ccc2c(c1)c(Cl)cc(n2)C Amb1994630 [1,0,0,0,0,0|1,0,2]=4 9 B16R2.107862 CCOc1ccc2c(c1)c(N)cc(n2)C Amb1994594 [1,0,0,0,0,0|1,0,2]=4 10 B16R2.107862 CCOc1ccc2c(c1)c(O)cc(n2)C Amb2556506 [1,0,0,0,0,0|1,0,2]=4 11 B16R2.107862 CCOc1ccc2c(c1)c(S)cc(n2)C Amb10577628 [1,0,0,0,0,0|1,0,2]=4 12 B16R2.107862 Cc1cc(O)[n]c2ccc(cc12)OCC Amb23441863 [1,0,0,0,0,0|1,0,2]=4 13 B16R2.204026 CCc1ccc2c(c1)C(=O)NC(C2)(C)C Amb17402706 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.204026 COc1ccc2c(c1)C(=CC(N2)(C)C)C Amb1092526 [1,0,0,0,0,0|0,0,0]=1 15 B16R2.204026 COc1ccc2c(c1)C(=O)CC(O2)(C)C Amb17601393 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.204026 COc1ccc2c(c1)C(=O)NC(C2)(C)C Amb17403016 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.204026 COc1ccc2c(c1)C(C)CC(N2)(C)C Amb1058855 [1,0,0,0,0,0|0,0,2]=3 18 B18R2.1019956 CCOc1ccc2c(c1)C(C)(N)CC(O2)(C)C Amb17519313 [0,1,0,0,0,0|1,0,2]=4 19 B18R2.1271074 CC1=CC(C)(C)Nc2ccc(cc12)NC(C)=O Amb24109068 [0,1,0,0,0,0|1,0,1]=3 20 B18R2.2448252 CC1=CC(C)(C)N(C)c2ccc(C=NO)cc12 Amb23038386 [0,1,0,0,0,0|3,0,0]=4 21 B18R2.2448252 CC1=CC(C)(C)N(C)c2ccc(CNC)cc12 Amb23244030 [0,1,0,0,0,0|2,0,0]=3 22 B18R3.915034 CC1=CC(C)(C)Nc2c1cc3OCOc3c2 Amb1859278 [0,0,0,1,0,0|1,0,0]=2 23 B16R2.28430 CCOc1cc2C(Br)CC(C)(C)c2cc1 Amb25693581 [0,0,0,0,1,0|1,0,2]=4 24 B16R2.28430 CCOc1cc2C(Cl)CC(C)(C)c2cc1 Amb24385539 [0,0,0,0,1,0|1,0,2]=4 25 B15R1.3514 CCOc1ccc(cc1)NC(C#N)(C)C Amb17402915 [1,0,1,0,0,0|1,0,1]=4 26 B15R1.566 CC(C)NC(C)c1cccc(c1)OCC Amb23315247 [1,0,1,0,0,0|1,0,1]=4 27 B15R1.566 CCOc1cccc(c1)C(=O)CC(C)C Amb17198761 [1,0,1,0,0,0|1,0,1]=4 28 B15R1.1863 CC(C)=CC(=O)c1cc(CC)ccc1N Amb25799743 [1,0,1,0,0,0|1,0,1]=4 29 B15R1.1863 CC(C)=CC(=O)c1cc(ccc1N)OC Amb25367090 [1,0,1,0,0,0|1,0,1]=4 30 B15R1.9646 CCOc1cc(c(N)cc1)C(=O)OCC Amb22491708 [1,0,1,0,0,0|2,0,0]=4 31 B15R1.1927 COc1cc(C(O)=O)c(cc1)NC(C)C Amb18656515 [1,0,1,0,0,0|2,0,0]=4 32 B15R1.9648 CCOc1ccc(c(c1)C(=O)C)OCC Amb2209259 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.4779 CC1(C)C=Cc2cc(CO)ccc2O1 Amb24704405 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.4779 COc1cc2C=CC(C)(C)Nc2cc1 Amb25835659 [2,0,0,0,0,0|0,0,0]=2 35 B15R2.4779 COc1cc2CCC(C)(C)Nc2cc1 Amb25090875 [2,0,0,0,0,0|0,0,2]=4 36 B15R2.10252 CCOc1cc2C=CC(=O)Nc2cc1 Amb18546024 [2,0,0,0,0,0|1,0,1]=4 37 B15R2.1290 CCOc1cc2C(=O)C=CNc2cc1 Amb19047360 [2,0,0,0,0,0|1,0,1]=4 38 B15R2.1290 CCOc1cc2C(=O)C=NNc2cc1 Amb23559988 [2,0,0,0,0,0|2,0,0]=4 39 B15R2.1290 CCOc1cc2C(=O)CCNc2cc1 Amb18818539 [2,0,0,0,0,0|1,0,1]=4 40 B15R2.1290 CCOc1cc2C(=S)C=CNc2cc1 Amb24111607 [2,0,0,0,0,0|1,0,1]=4 41 B15R2.1290 Cc1cc[n]c2ccc(cc12)OCC Amb18354497 [2,0,0,0,0,0|0,0,2]=4 42 B15R2.21329 CC1=CC(=O)Nc2ccc(CC)cc12 Amb19516752 [2,0,0,0,0,0|1,0,1]=4 43 B15R2.21329 CC1=CC(=O)Nc2ccc(cc12)OC Amb19389140 [2,0,0,0,0,0|1,0,1]=4 44 B15R2.21329 CC1=CC(=O)c2cc(CC)ccc2N1 Amb19046472 [2,0,0,0,0,0|1,0,1]=4 45 B15R2.21329 CC1=CC(=O)c2cc(ccc2N1)OC Amb19077647 [2,0,0,0,0,0|1,0,1]=4 46 B15R2.21329 CC1=CC(=S)Nc2ccc(CC)cc12 Amb18540321 [2,0,0,0,0,0|1,0,1]=4 47 B15R2.21329 CC1=CC(=S)Nc2ccc(cc12)OC Amb18038018 [2,0,0,0,0,0|1,0,1]=4 48 B15R2.21329 CC1=CC(=S)c2cc(ccc2N1)OC Amb19846770 [2,0,0,0,0,0|1,0,1]=4 49 B15R2.21329 CCc1cc2C(=O)CC(C)Nc2cc1 Amb18560067 [2,0,0,0,0,0|1,0,1]=4 50 B15R2.21329 CCc1cc2c(cc1)[n]c(C)cc2C Amb18353603 [2,0,0,0,0,0|0,0,2]=4 51 B15R2.21329 COc1cc2C(=O)CC(C)Nc2cc1 Amb18560066 [2,0,0,0,0,0|1,0,1]=4 52 B15R2.21329 Cc1cc(C)c2cc(ccc2[n]1)OC Amb18354504 [2,0,0,0,0,0|0,0,2]=4 53 B15R2.50278 CC1=CC(C)(C)Nc2ccc(Br)cc12 Amb22230056 [2,0,0,0,0,0|1,0,0]=3 54 B15R2.50278 CC1=CC(C)(C)Nc2ccc(F)cc12 Amb23313367 [2,0,0,0,0,0|1,0,0]=3 55 B15R2.50278 Cc1ccc2c(c1)C(=CC(N2)(C)C)C Amb1148181 [2,0,0,0,0,0|0,0,0]=2 56 B15R2.50278 Cc1ccc2c(c1)C(C)CC(N2)(C)C Amb1058856 [2,0,0,0,0,0|0,0,2]=4 57 B15R2.50278 Cc1ccc2c(c1)C(C)CC(N2)(C)C Amb2099816 [2,0,0,0,0,0|0,0,2]=4 58 B15R2.50278 O=C1C=CC2=NC(C=C(C2=C1)C)(C)C Amb17613028 [2,0,0,0,0,0|0,0,2]=4 59 B15R2.50278 Oc1ccc2c(c1)C(C)CC(N2)(C)C Amb10068046 [2,0,0,0,0,0|0,0,2]=4 60 B15R2.50278 Oc1ccc2c(c1)C(C)CC(N2)(C)C Amb1058792 [2,0,0,0,0,0|0,0,2]=4 61 B17R1.4122 CCOc1ccc(cc1)OC(CC(=O)C)(C)C Amb17253007 [0,1,1,0,0,0|1,0,1]=4 62 B17R1.4123 CCOc1ccc(cc1)OC(C(=O)OC)(C)C Amb17409832 [0,1,1,0,0,0|2,0,0]=4 63 B17R1.26370 CC(=O)c1cc(ccc1OC(C)C)OC(C)C Amb18057616 [0,1,1,0,0,0|2,0,0]=4 64 B17R2.58036 COC(=O)c1cc2C=CC(C)(C)Nc2cc1 Amb24095949 [1,1,0,0,0,0|2,0,0]=4 65 B17R2.204607 Cc1cc(CO)[n]c2ccc(cc12)OCC Amb19105000 [1,1,0,0,0,0|0,0,2]=4 66 B17R2.204608 Cc1cc(CN)c2cc(ccc2[n]1)OCC Amb19103210 [1,1,0,0,0,0|0,0,2]=4 67 B17R2.204608 Cc1cc(OC)c2cc(ccc2[n]1)OCC Amb19108347 [1,1,0,0,0,0|0,0,2]=4 68 B17R2.333376 CC1=CC(=S)Nc2ccc(cc12)OCCC Amb18038020 [1,1,0,0,0,0|1,0,1]=4 69 B17R2.333376 Cc1cc(C)c2cc(ccc2[n]1)OCCN Amb18355026 [1,1,0,0,0,0|0,0,2]=4 70 B17R2.398898 N#CC1=CC(C)(C)Oc2c1cc(CC)cc2 Amb17241438 [1,1,0,0,0,0|1,0,1]=4 71 B17R2.398898 N#CC1=CC(C)(C)Oc2c1cc(OC)cc2 Amb17241949 [1,1,0,0,0,0|1,0,1]=4 72 B17R2.412227 CC1=CC(C)(C)N(C)c2ccc(CN)cc12 Amb23149814 [1,1,0,0,0,0|1,0,0]=3 73 B17R2.412227 CC1=CC(C)(C)N(C)c2ccc(CO)cc12 Amb24116178 [1,1,0,0,0,0|1,0,0]=3 74 B17R2.412227 CC1=CC(C)(C)N(C)c2ccc(cc12)C#N Amb23149620 [1,1,0,0,0,0|1,0,1]=4 75 B17R2.412227 COc1ccc2c(c1)C(=CC(N2C)(C)C)C Amb1092372 [1,1,0,0,0,0|0,0,0]=2 76 B17R2.915365 CC1=CC(C)(C)Nc2ccc(cc12)C(O)=O Amb24116181 [1,1,0,0,0,0|1,0,1]=4 77 B17R2.1222260 CC1=CC(C)(C)Nc2c1cc(C=O)cc2C Amb23003187 [1,1,0,0,0,0|1,0,1]=4 78 B19R2.5295627 CC1=CC(C)(C)N(C)c2cc(C)c(CNC)cc12 Amb23244036 [0,2,0,0,0,0|2,0,0]=4 79 B19R2.5295627 CC1=CC(C)(C)N(C)c2cc(Cl)c(CNC)cc12 Amb23244041 [0,2,0,0,0,0|2,0,0]=4 80 B19R2.5295627 CC1=CC(C)(C)N(C)c2cc(F)c(CNC)cc12 Amb23244050 [0,2,0,0,0,0|2,0,0]=4 81 B19R2.4498801 CC1=CC(C)(C)N(C)c2ccc(CNCC)cc12 Amb23244066 [0,2,0,0,0,0|1,0,0]=3 82 B19R2.6669396 CC1=CC(C)(C)Nc2ccc(cc12)C(=O)OCC Amb23003192 [0,2,0,0,0,0|0,0,0]=2 83 B19R2.120348 CC1=CC(C)(C)N(CC)c2ccc(CNC)cc12 Amb23244031 [0,2,0,0,0,0|2,0,0]=4 84 B19R2.1076358 CC1=CC(C)(C)[N+](C)(C)c2ccc(cc12)OCC Amb22439313 [0,2,0,0,0,0|0,0,1]=3 85 B17R2.32753 CCOc1cccc2C(C)CC(C)(C)Nc21 Amb24092286 [0,0,1,1,0,0|0,0,2]=4 86 B17R2.301400 CCOc1cccc(c1)C2CNC(C)(C)O2 Amb18068534 [0,0,1,1,0,0|1,0,1]=4 87 B19R3.6795310 CN1c2cc3OCOc3cc2NC(C1=O)(C)C Amb17470280 [0,1,0,1,0,0|2,0,0]=4 88 B19R3.458197 CC1=NC(C)(C)Cc2c1cc3OCCOc3c2 Amb1060646 [0,1,0,1,0,0|2,0,0]=4 89 B15R1.9454 CCOc1cc(ccc1)C(=O)C(C)(C)N Amb18567914 [0,0,1,0,1,0|1,0,0]=3 90 B15R1.9454 CCOc1cccc(c1)C(C(N)(C)C)O Amb17082110 [0,0,1,0,1,0|1,0,1]=4 91 B15R2.16644 CCOc1cc2C(=O)C(C)Cc2cc1 Amb25842580 [1,0,0,0,1,0|2,0,0]=4 92 B15R2.16644 CCOc1cc2c(cc1)[nH]c(C)c2C Amb18893900 [1,0,0,0,1,0|0,0,1]=3 93 B15R2.16644 CCOc1ccc2OC(C)C(=O)c2c1 Amb19073800 [1,0,0,0,1,0|2,0,0]=4 94 B15R2.16644 Cc1[nH]c2ccc(cc2c1Br)OCC Amb18065238 [1,0,0,0,1,0|1,0,1]=4 95 B15R2.54398 CCOc1cc2C(=O)CC(C)c2cc1 Amb24406070 [1,0,0,0,1,0|1,0,1]=4 96 B15R2.54398 Cc1c[n](C)c2ccc(cc12)OCC Amb18893894 [1,0,0,0,1,0|1,0,0]=3 97 B15R2.4796 CCc1cc2C(=O)C(C)(C)Cc2cc1 Amb25697540 [1,0,0,0,1,0|2,0,0]=4 98 B15R2.4796 COc1cc2C(=O)C(C)(C)Cc2cc1 Amb24510991 [1,0,0,0,1,0|2,0,0]=4 99 B15R2.4975 CC1(C)CC(=O)c2cc(ccc12)OC Amb23401709 [1,0,0,0,1,0|1,0,1]=4 100 B17R1.18234 CCOc1cc(C(N)=O)c(cc1)NCC(C)C Amb22135575 [0,0,1,0,0,1|2,0,0]=4 101 B17R2.227629 CCOc1cccc2NC(C)(C)CC(C)c12 Amb24071280 [0,0,0,0,1,1|0,0,2]=4