0 B17R2.5678 CC(C)c1ccccc1NCC2OCCO2 Amb24676145 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.5678 CC(C)c1ccccc1OCC2CNCC2 Amb21956877 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.5678 CC(c1ccccc1NCC2CCCN2)C Amb17243442 [0,0,0,0,0,0|2,0,1]=3 3 B17R2.5678 CC(c1ccccc1OCC2OCCO2)C Amb17245530 [0,0,0,0,0,0|2,0,1]=3 4 B17R2.5678 CC(c1ccccc1OC[C@@H]2CCCN2)C Amb17051844 [0,0,0,0,0,0|1,0,1]=2 5 B17R2.5678 CC(c1ccccc1OCc2n[nH]nn2)C Amb17243163 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.1480 CCc1ccccc1NCC2CCCN2 Amb17238238 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.1480 CCc1ccccc1OCC2=NCCN2 Amb17075364 [1,0,0,0,0,0|0,0,0]=1 8 B16R2.1480 CCc1ccccc1OCC2OCCO2 Amb17239795 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.1480 CCc1ccccc1OC[C@@H]2CCCN2 Amb17051834 [1,0,0,0,0,0|1,0,1]=3 10 B16R2.1480 CCc1ccccc1OCc2n[nH]nn2 Amb17238037 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.1480 CCc1ccccc1\N=N/C2=NCCS2 Amb24106773 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.1480 COc1ccccc1CCC=2NCCN2 Amb18567018 [1,0,0,0,0,0|2,0,0]=3 13 B16R2.1480 COc1ccccc1OCC2=NCCN2 Amb17075361 [1,0,0,0,0,0|1,0,0]=2 14 B16R2.1480 COc1ccccc1OCC2NCCS2 Amb22438989 [1,0,0,0,0,0|2,0,1]=4 15 B16R2.1480 COc1ccccc1OC[C@@H]2CCCN2 Amb17051837 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.1480 COc1ccccc1OCc2nnn[nH]2 Amb1090234 [1,0,0,0,0,0|3,0,0]=4 17 B18R2.6202 CC(N)c1ccccc1OCc2[n]cc[n]2C Amb23919564 [0,1,0,0,0,0|1,0,2]=4 18 B18R2.7144 O=C(C1CCCN1)Oc2ccccc2C(C)C Amb17345624 [0,1,0,0,0,0|1,0,2]=4 19 B18R2.14566 CC(C)(C)c1ccccc1OCC=2NCCN2 Amb24080671 [0,1,0,0,0,0|0,0,0]=1 20 B18R2.14566 CC(c1ccccc1NCC2CCCN2)(C)C Amb17250421 [0,1,0,0,0,0|2,0,1]=4 21 B18R2.14566 CC(c1ccccc1OCC2=NCCN2)(C)C Amb17075369 [0,1,0,0,0,0|0,0,0]=1 22 B18R2.14566 CC(c1ccccc1OCC2OCCO2)(C)C Amb17253002 [0,1,0,0,0,0|2,0,1]=4 23 B18R2.14566 CC(c1ccccc1OC[C@@H]2CCCN2)(C)C Amb17051857 [0,1,0,0,0,0|1,0,1]=3 24 B18R2.14566 CC(c1ccccc1OCc2n[nH]nn2)(C)C Amb17250126 [0,1,0,0,0,0|2,0,1]=4 25 B18R2.29411 CC(C)c1ccccc1OCc2[n][n]c(S)o2 Amb24114639 [0,1,0,0,0,0|2,0,1]=4 26 B18R2.29411 CC(c1ccccc1OCc2n[nH]c(c2)N)C Amb17249595 [0,1,0,0,0,0|2,0,1]=4 27 B18R2.29411 Cc1cc(COc2ccccc2C(C)C)[n]o1 Amb23912093 [0,1,0,0,0,0|2,0,1]=4 28 B18R2.29411 Cc1nnc(o1)COc2ccccc2C(C)C Amb17034203 [0,1,0,0,0,0|2,0,1]=4 29 B18R2.29411 Nc1onc(c1)COc2ccccc2C(C)C Amb17250098 [0,1,0,0,0,0|2,0,1]=4 30 B18R2.39218 CC(c1cccc(c1NCC2CCCN2)C)C Amb17250420 [0,1,0,0,0,0|2,0,1]=4 31 B18R2.67047 Cc1ccc(c(c1)OCc2nnco2)C(C)C Amb2266740 [0,1,0,0,0,0|2,0,1]=4 32 B16R1.3900 CCCNCCNc1ccccc1C(C)C Amb20215123 [0,0,1,0,0,0|2,0,1]=4 33 B16R1.3900 OCCNCCOc1ccccc1C(C)C Amb17143949 [0,0,1,0,0,0|1,0,1]=3 34 B16R1.4440 O=C=NC(=O)COc1ccccc1C(C)C Amb17243588 [0,0,1,0,0,0|2,0,1]=4 35 B18R3.36582 C(Oc1ccccc1C2CC2)C=3NCCN3 Amb22732431 [0,0,0,1,0,0|0,0,0]=1 36 B18R3.36582 C1CN=C(N1)COc2ccccc2C3CC3 Amb17577189 [0,0,0,1,0,0|0,0,0]=1 37 B18R3.618712 C[n]1cc(CC=2NCCN2)c3ccccc13 Amb24085254 [0,0,0,1,0,0|2,0,1]=4 38 B18R2.7138 CC(C)c1ccccc1OCC2CCNCC2 Amb21957555 [0,0,0,0,0,1|2,0,1]=4 39 B18R2.7138 CC(C)c1ccccc1OCC2CNCCC2 Amb21957554 [0,0,0,0,0,1|1,0,1]=3 40 B18R2.7138 CC(C)c1ccccc1OCC2COCCN2 Amb18575540 [0,0,0,0,0,1|1,0,1]=3 41 B18R2.7138 CC(C)c1ccccc1OCC2CSCCN2 Amb18073113 [0,0,0,0,0,1|1,0,1]=3 42 B18R2.7138 CC(C)c1ccccc1OCc2c[n]ccc2 Amb23914118 [0,0,0,0,0,1|1,0,2]=4 43 B18R2.7138 CC(c1ccccc1NCC2CCCNC2)C Amb17250424 [0,0,0,0,0,1|2,0,1]=4 44 B15R1.241 CCNCCNc1ccccc1C(C)C Amb19966298 [1,0,1,0,0,0|1,0,1]=4 45 B15R1.241 NNCCCOc1ccccc1C(C)C Amb17403741 [1,0,1,0,0,0|1,0,1]=4 46 B15R1.241 NOCCCOc1ccccc1C(C)C Amb17088369 [1,0,1,0,0,0|1,0,1]=4 47 B15R1.241 SCCCCOc1ccccc1C(C)C Amb17246693 [1,0,1,0,0,0|1,0,1]=4 48 B15R1.1045 OCCNCCOc1ccccc1CC Amb17143469 [1,0,1,0,0,0|1,0,1]=4 49 B15R1.768 CCNC(=O)COc1ccccc1CC Amb22265705 [1,0,1,0,0,0|1,0,0]=3 50 B15R1.768 CC\N=C(\N)/NCc1ccccc1CC Amb24271778 [1,0,1,0,0,0|2,0,0]=4 51 B15R2.562 Brc1ccccc1CCC=2NCCN2 Amb18584296 [2,0,0,0,0,0|2,0,0]=4 52 B15R2.562 Brc1ccccc1OCC2=NCCN2 Amb17075358 [2,0,0,0,0,0|1,0,0]=3 53 B15R2.562 Cc1ccccc1CNC=2NCCN2 Amb25059087 [2,0,0,0,0,0|2,0,0]=4 54 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb1485630 [2,0,0,0,0,0|2,0,0]=4 55 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb17760664 [2,0,0,0,0,0|2,0,0]=4 56 B15R2.562 Cc1ccccc1NNC=2NCCN2 Amb24382035 [2,0,0,0,0,0|2,0,0]=4 57 B15R2.562 Cc1ccccc1OCC2=NCCN2 Amb17075350 [2,0,0,0,0,0|0,0,0]=2 58 B15R2.562 Cc1ccccc1OCC2NCCS2 Amb25770063 [2,0,0,0,0,0|1,0,1]=4 59 B15R2.562 Cc1ccccc1OCC=2CCCC2 Amb24717353 [2,0,0,0,0,0|2,0,0]=4 60 B15R2.562 Cc1ccccc1OC[C@@H]2CCCN2 Amb17051824 [2,0,0,0,0,0|1,0,1]=4 61 B15R2.562 Cc1ccccc1OCc2[nH]cc[n]2 Amb25673539 [2,0,0,0,0,0|0,0,2]=4 62 B15R2.562 Cc1ccccc1SCC=2NCCN2 Amb25776541 [2,0,0,0,0,0|0,1,0]=3 63 B15R2.562 Cc1ccccc1\C=C\C=2NCCN2 Amb22352578 [2,0,0,0,0,0|1,0,1]=4 64 B15R2.562 Cc1ccccc1\C=C\C=2NCCN2 Amb24441669 [2,0,0,0,0,0|1,0,1]=4 65 B15R2.562 Clc1ccccc1NCC=2NCCN2 Amb24639087 [2,0,0,0,0,0|2,0,0]=4 66 B15R2.562 Clc1ccccc1OCC2=NCCN2 Amb17075355 [2,0,0,0,0,0|1,0,0]=3 67 B15R2.562 Fc1ccccc1CCC=2NCCN2 Amb18565096 [2,0,0,0,0,0|2,0,0]=4 68 B15R2.562 Fc1ccccc1NCC=2NCCN2 Amb25040540 [2,0,0,0,0,0|2,0,0]=4 69 B15R2.562 Fc1ccccc1OCC2=NCCN2 Amb17075353 [2,0,0,0,0,0|1,0,0]=3 70 B17R1.4132 OCCNCCOc1cc(C)ccc1C(C)C Amb17144722 [0,1,1,0,0,0|1,0,1]=4 71 B17R1.4156 OCCNCCOc1ccccc1C(C)(C)C Amb17144721 [0,1,1,0,0,0|1,0,1]=4 72 B17R1.7901 CCCCNCCOc1ccccc1C(C)C Amb20077821 [0,1,1,0,0,0|1,0,1]=4 73 B17R1.7901 COCCNCCOc1ccccc1C(C)C Amb18538780 [0,1,1,0,0,0|1,0,1]=4 74 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCC=C Amb22268800 [0,1,1,0,0,0|1,0,1]=4 75 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C Amb13950919 [0,1,1,0,0,0|1,0,0]=3 76 B17R1.16398 CC(C)c1ccccc1OC\C=N\NC(N)=S Amb22355919 [0,1,1,0,0,0|1,0,1]=4 77 B17R1.24156 CC(C)c1ccccc1OCCNC(C)CC Amb20204552 [0,1,1,0,0,0|1,0,1]=4 78 B17R1.4839 Cc1ccc(C(C)C)c(c1)OCC(=O)NCC Amb23215638 [0,1,1,0,0,0|1,0,0]=3 79 B17R1.4839 Cc1ccc([C@@H](C)N)c(c1)OCC(=O)NCC Amb23972882 [0,1,1,0,0,0|2,0,0]=4 80 B17R1.4858 CC(CC)c1ccccc1OCC(=O)NCC Amb21368462 [0,1,1,0,0,0|1,0,0]=3 81 B17R1.4858 CONC(=O)COc1ccccc1C(C)CC Amb21419919 [0,1,1,0,0,0|2,0,0]=4 82 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C Amb23914756 [0,1,1,0,0,0|1,0,0]=3 83 B17R2.10450 COc1cc(C)ccc1OCC2=NCCN2 Amb17075389 [1,1,0,0,0,0|1,0,0]=3 84 B17R2.3266 CC1CSC(=N1)Nc2ccccc2C(C)C Amb1104030 [0,1,0,0,1,0|2,0,0]=4 85 B17R2.3894 CC(C)c1ccccc1\N=C\2/SCCN2C Amb19195291 [0,1,0,0,1,0|2,0,0]=4 86 B19R2.12753 CC(CC)c1ccccc1OCC2CNCCC2 Amb21957558 [0,1,0,0,0,1|1,0,1]=4 87 B19R2.20616 CC(C)(C)c1ccccc1OCC2CNCCC2 Amb21957550 [0,1,0,0,0,1|1,0,1]=4 88 B19R2.103477 CC(C)c1cc(Br)ccc1OCC2CNCCC2 Amb21957296 [0,1,0,0,0,1|1,0,1]=4 89 B19R2.103477 CC(C)c1cc(Cl)ccc1OCC2CNCCC2 Amb21957391 [0,1,0,0,0,1|1,0,1]=4 90 B19R2.7420 C[n]1[n]c[n]c1COc2ccccc2C(C)(C)C Amb24188139 [0,2,0,0,0,0|1,0,1]=4 91 B19R2.12787 CNC(C)c1ccccc1OCc2[n]cc[n]2C Amb23919856 [0,2,0,0,0,0|0,0,2]=4 92 B19R2.217848 CC(C)c1ccccc1OCc2[n]cc(Cl)[n]2C Amb23912806 [0,2,0,0,0,0|0,0,2]=4 93 B19R2.217848 CC(c1ccccc1OCc2nnc(n2C)S)C Amb1897117 [0,2,0,0,0,0|1,0,1]=4 94 B19R2.62010 Cc1cccc(c1OC[C@@H]2CCCN2)C(C)(C)C Amb17051870 [0,2,0,0,0,0|1,0,1]=4 95 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OC[C@@H]2CCCN2 Amb17051872 [0,2,0,0,0,0|1,0,1]=4 96 B19R2.103463 Cc1ccc(c(c1)OC[C@@H]2CCCN2)C(C)(C)C Amb17051871 [0,2,0,0,0,0|1,0,1]=4 97 B17R2.5618 CC(C)c1ccccc1OC2CNCCC2 Amb21957553 [0,0,1,1,0,0|1,0,1]=4 98 B17R2.5618 CC(c1ccccc1OC2CCCNC2)C Amb10844699 [0,0,1,1,0,0|1,0,1]=4 99 B17R2.32746 NCCC1CCOc2c1cccc2C(C)C Amb17243959 [0,0,1,1,0,0|1,0,1]=4 100 B17R3.1917 C1CN=C(N1)C2COc3c(O2)cccc3 Amb15692609 [1,0,0,1,0,0|1,0,0]=3 101 B15R1.1274 CCCC(=O)Oc1ccccc1C(C)C Amb24080016 [0,0,1,0,1,0|2,0,0]=4 102 B15R2.123 CCc1ccccc1CC2CCCN2 Amb25681970 [1,0,0,0,1,0|1,0,1]=4 103 B15R2.123 CCc1ccccc1CC=2CCCC2 Amb24622905 [1,0,0,0,1,0|2,0,0]=4 104 B15R2.123 CCc1ccccc1\N=C/2\NCCO2 Amb25790548 [1,0,0,0,1,0|2,0,0]=4 105 B15R2.123 COc1ccccc1CC=2NCCN2 Amb18564750 [1,0,0,0,1,0|1,0,0]=3 106 B15R2.123 COc1ccccc1NC=2NCCN2 Amb25690998 [1,0,0,0,1,0|2,0,0]=4 107 B15R2.123 CSc1ccccc1NC=2NCCN2 Amb25277169 [1,0,0,0,1,0|2,0,0]=4 108 B15R2.1221 CC(C)c1ccccc1C2NCCS2 Amb24427409 [0,0,0,0,2,0|1,0,1]=4 109 B15R2.1221 CC(C)c1ccccc1[C@@H]2CCCN2 Amb25282165 [0,0,0,0,2,0|1,0,1]=4 110 B15R2.1221 CC(C)c1ccccc1[C@H]2CCCN2 Amb25693511 [0,0,0,0,2,0|1,0,1]=4 111 B15R2.1221 CN(c1ccccc1C2=NCCN2)C Amb17578509 [0,0,0,0,2,0|1,0,0]=3 112 B15R2.1221 CN(c1ncccc1C2=NCCN2)C Amb17578536 [0,0,0,0,2,0|2,0,0]=4 113 B15R2.16320 CC(C)c1ccccc1OC2CCC2 Amb25693241 [0,0,0,0,2,0|1,0,1]=4 114 B15R2.16319 CC(C)c1ccccc1NCC2CC2 Amb22586412 [0,0,0,0,2,0|1,0,1]=4 115 B15R2.16319 CC(c1ccccc1NCC2CC2)C Amb2383325 [0,0,0,0,2,0|1,0,1]=4 116 B15R2.16319 CC(c1ccccc1OCC2CO2)C Amb1105717 [0,0,0,0,2,0|1,0,1]=4 117 B17R1.4856 CCNC(=O)CNc1ccccc1OC(C)C Amb20176007 [0,0,1,0,0,1|2,0,0]=4 118 B17R1.4856 CCNC(=O)COc1ccccc1CC(C)N Amb23921101 [0,0,1,0,0,1|2,0,0]=4 119 B17R2.262 CCc1ccccc1OCC2CCCNC2 Amb17051884 [1,0,0,0,0,1|1,0,1]=4 120 B17R2.262 CCc1ccccc1OCC2COCCN2 Amb18068729 [1,0,0,0,0,1|1,0,1]=4 121 B17R2.262 CCc1ccccc1OCC2CSCCN2 Amb18071267 [1,0,0,0,0,1|1,0,1]=4 122 B17R2.5660 CC(c1cccc(c1)OCC2=NCCN2)C Amb17075367 [0,0,0,0,1,1|0,0,0]=2 123 B17R2.5660 CC(c1cccc(c1)OC[C@@H]2CCCN2)C Amb17051845 [0,0,0,0,1,1|1,0,1]=4 124 B17R2.5660 CN(c1cccc(c1)OCC2=NCCN2)C Amb17075387 [0,0,0,0,1,1|1,0,0]=3 125 B19R2.8826 CC(C)c1ccccc1OCCC2CCCCN2 Amb21956876 [0,0,0,0,0,2|1,0,1]=4 126 B19R2.8826 CC(C)c1ccccc1OCCC2CNCCC2 Amb21956875 [0,0,0,0,0,2|1,0,1]=4