0 B15R1.78 BrCCCCC(=O)NCc1ccccc1 Amb17274561 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.78 BrCCCNC(=O)OCc1ccccc1 Amb10608829 [0,0,0,0,0,0|3,0,1]=4 2 B15R1.78 C#CCCNC(=O)\C=C\c1ccccc1 Amb21942377 [0,0,0,0,0,0|1,0,2]=3 3 B15R1.78 CC=CCOC(=O)C=Cc1ccccc1 Amb21195575 [0,0,0,0,0,0|0,0,2]=2 4 B15R1.78 CCCCCC(=O)NCc1ccccn1 Amb17798049 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.78 CCCCCC(=O)NCc1cccnc1 Amb17869198 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [0,0,0,0,0,0|2,0,1]=3 7 B15R1.78 CCCCNC(=O)C=Cc1ccc[n]c1 Amb20911325 [0,0,0,0,0,0|2,0,0]=2 8 B15R1.78 CCCCNC(=O)CCc1ccc[n]c1 Amb20744543 [0,0,0,0,0,0|2,0,2]=4 9 B15R1.78 CCCCNC(=O)CCc1ccccn1 Amb16919519 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.78 CCCCNC(=O)CNc1ccccc1 Amb17140118 [0,0,0,0,0,0|2,0,1]=3 11 B15R1.78 CCCCNC(=O)CSc1ccccc1 Amb1229680 [0,0,0,0,0,0|2,0,1]=3 12 B15R1.78 CCCCNC(=O)NCc1ccccc1 Amb2236966 [0,0,0,0,0,0|2,0,1]=3 13 B15R1.78 CCCCNC(=S)NNc1ccccc1 Amb10574312 [0,0,0,0,0,0|3,1,0]=4 14 B15R1.78 CCCCOC(=O)COc1ccccc1 Amb22269146 [0,0,0,0,0,0|1,0,1]=2 15 B15R1.78 CCCCOC(=O)OCc1ccccc1 Amb25030436 [0,0,0,0,0,0|1,0,1]=2 16 B15R1.78 CCCNCC(=O)OCc1ccccc1 Amb24665491 [0,0,0,0,0,0|3,0,1]=4 17 B15R1.78 CCCNNC(=O)OCc1ccccc1 Amb25033630 [0,0,0,0,0,0|3,0,1]=4 18 B15R1.78 CCCOCC(=O)NCc1ccccc1 Amb12781055 [0,0,0,0,0,0|3,0,1]=4 19 B15R1.78 CCCONC(=O)OCc1ccccc1 Amb25110682 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.78 CCC\C=C\C(=O)OCc1ccccc1 Amb10572343 [0,0,0,0,0,0|2,0,2]=4 21 B15R1.78 CCNCCC(=O)NCc1ccccc1 Amb24440745 [0,0,0,0,0,0|3,0,1]=4 22 B15R1.78 CNCCCC(=O)NCc1ccccc1 Amb25054837 [0,0,0,0,0,0|3,0,1]=4 23 B15R1.78 CNCCNC(=O)NCc1ccccc1 Amb25729763 [0,0,0,0,0,0|3,0,1]=4 24 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [0,0,0,0,0,0|3,0,1]=4 25 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [0,0,0,0,0,0|3,0,1]=4 26 B15R1.78 COCCNC(=O)CNc1ccccc1 Amb10613754 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.78 COCCNC(=O)NCc1ccccc1 Amb16003926 [0,0,0,0,0,0|3,0,1]=4 28 B15R1.78 CSCCCC(=O)NCc1ccccc1 Amb18411859 [0,0,0,0,0,0|3,0,1]=4 29 B15R1.78 NCCCCC(=O)NCc1ccccc1 Amb25766130 [0,0,0,0,0,0|3,0,1]=4 30 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [0,0,0,0,0,0|3,0,1]=4 31 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [0,0,0,0,0,0|3,0,1]=4 32 B15R1.78 NCCCNC(=O)CCc1ccccc1 Amb25388444 [0,0,0,0,0,0|2,0,2]=4 33 B15R1.78 NCCCNC(=O)CNc1ccccc1 Amb24770564 [0,0,0,0,0,0|3,0,1]=4 34 B15R1.78 NCCCNC(=O)COc1ccccc1 Amb25388464 [0,0,0,0,0,0|3,0,1]=4 35 B15R1.78 NCCCNC(=O)CSc1ccccc1 Amb24772632 [0,0,0,0,0,0|3,0,1]=4 36 B15R1.78 NCCCNC(=O)NCc1ccccc1 Amb24706325 [0,0,0,0,0,0|3,0,1]=4 37 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [0,0,0,0,0,0|3,0,1]=4 38 B15R1.78 O=C(CCCCBr)OCc1ccccc1 Amb22897246 [0,0,0,0,0,0|3,0,1]=4 39 B15R1.78 O=C(NCc1ccccc1)OCCCCl Amb24758392 [0,0,0,0,0,0|2,0,1]=3 40 B15R1.78 OCCCCC(=O)OCc1ccccc1 Amb25832761 [0,0,0,0,0,0|3,0,1]=4 41 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.123 COCCNC\C=C\c1ccccc1 Amb1925718 [1,0,0,0,0,0|2,0,1]=4 43 B14R1.123 ClCCCC#C\C=C\c1ccccc1 Amb24563946 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [1,0,0,0,0,0|1,0,1]=3 45 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,0,0,0,0,0|1,0,2]=4 46 B14R1.123 NCCCNC\C=C\c1ccccc1 Amb23595752 [1,0,0,0,0,0|2,0,1]=4 47 B14R1.123 OCCCC#C\C=C\c1ccccc1 Amb25285630 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb1926882 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb2114455 [1,0,0,0,0,0|2,0,1]=4 50 B14R1.156 BrCCCC(=O)OCc1ccccc1 Amb2413170 [1,0,0,0,0,0|2,0,1]=4 51 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 Amb15739664 [1,0,0,0,0,0|1,0,2]=4 52 B14R1.156 CCCCC(=O)NNc1ccccc1 Amb22445767 [1,0,0,0,0,0|2,0,0]=3 53 B14R1.156 CCCCC(=O)OCc1ccccc1 Amb16192632 [1,0,0,0,0,0|1,0,1]=3 54 B14R1.156 CCCCC(=O)SCc1ccccc1 Amb10562264 [1,0,0,0,0,0|1,0,1]=3 55 B14R1.156 CCCCC(=S)NCc1ccccc1 Amb10561695 [1,0,0,0,0,0|1,1,1]=4 56 B14R1.156 CCCNC(=O)C#Cc1ccccc1 Amb24674279 [1,0,0,0,0,0|1,0,2]=4 57 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [1,0,0,0,0,0|2,0,1]=4 58 B14R1.156 CCCOC(=S)NCc1ccccc1 Amb24418420 [1,0,0,0,0,0|1,1,1]=4 59 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [1,0,0,0,0,0|2,0,1]=4 60 B14R1.156 CNCCC(=O)C#Cc1ccccc1 Amb25031246 [1,0,0,0,0,0|1,0,2]=4 61 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [1,0,0,0,0,0|2,0,1]=4 62 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [1,0,0,0,0,0|2,0,1]=4 63 B14R1.156 CSCCC(=O)C#Cc1ccccc1 Amb24632114 [1,0,0,0,0,0|1,0,2]=4 64 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [1,0,0,0,0,0|2,0,1]=4 65 B14R1.156 N#CCOC(=O)\C=C/c1ccccc1 Amb2422957 [1,0,0,0,0,0|1,0,1]=3 66 B14R1.156 O=C(CCCBr)C#Cc1ccccc1 Amb24362877 [1,0,0,0,0,0|1,0,2]=4 67 B14R1.156 O=C(CCCCl)C#Cc1ccccc1 Amb25819363 [1,0,0,0,0,0|1,0,2]=4 68 B14R1.156 O=C(CCCCl)OCc1ccccc1 Amb19960308 [1,0,0,0,0,0|2,0,1]=4 69 B14R1.156 O=C(COc1ccccc1)OCCBr Amb24065427 [1,0,0,0,0,0|2,0,1]=4 70 B14R1.156 O=C(NCc1ccccc1)OCCI Amb24696581 [1,0,0,0,0,0|2,0,1]=4 71 B14R1.156 O=C(NCc1ccccc1)OCCS Amb25756215 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.156 OCC#CC(=O)\C=C\c1ccccc1 Amb24355167 [1,0,0,0,0,0|1,0,2]=4 73 B14R1.156 OCCCC(=O)C#Cc1ccccc1 Amb25835473 [1,0,0,0,0,0|1,0,2]=4 74 B14R1.156 OCCOC(=O)C#Cc1ccccc1 Amb25357325 [1,0,0,0,0,0|1,0,2]=4 75 B14R1.156 OCCOC(=O)NCc1ccccc1 Amb24335977 [1,0,0,0,0,0|2,0,1]=4 76 B16R1.35 CCCCCC(=O)NC(=S)c1ccccc1 Amb22476909 [0,1,0,0,0,0|2,0,0]=3 77 B16R1.35 CCCCNC(=N)NC(=O)c1ccccc1 Amb16205977 [0,1,0,0,0,0|3,0,0]=4 78 B16R1.35 CCCCNC(=O)CN(C)c1ccccc1 Amb19971403 [0,1,0,0,0,0|2,0,1]=4 79 B16R1.35 CCCCNC(=O)NC(C)c1ccccc1 Amb21793854 [0,1,0,0,0,0|2,0,1]=4 80 B16R1.35 CCCCNC(=O)NN(c1ccccc1)C Amb11231123 [0,1,0,0,0,0|3,0,0]=4 81 B16R1.35 CCCCNC(=O)\C=C(\c1ccccc1)/C Amb16797053 [0,1,0,0,0,0|1,0,0]=2 82 B16R1.35 CCCCNC(=S)CC(=O)c1ccccc1 Amb10574929 [0,1,0,0,0,0|1,1,1]=4 83 B16R1.35 COCCNC(=O)\C=C(\c1ccccc1)/C Amb16797061 [0,1,0,0,0,0|2,0,0]=3 84 B16R1.51 CCCCCC(=O)NCc1ccc(C)cc1 Amb17791417 [0,1,0,0,0,0|2,0,1]=4 85 B16R1.51 CCCCCC(=O)NCc1ccc(F)cc1 Amb17737866 [0,1,0,0,0,0|2,0,1]=4 86 B16R1.51 CCCCNC(=O)/C=C/c1ccc(Cl)cc1 Amb17736612 [0,1,0,0,0,0|1,0,0]=2 87 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)F Amb16948320 [0,1,0,0,0,0|1,0,2]=4 88 B16R1.51 CCCCNC(=O)CNc1ccc(I)cc1 Amb20174066 [0,1,0,0,0,0|2,0,1]=4 89 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)Br Amb17172838 [0,1,0,0,0,0|2,0,1]=4 90 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)C Amb17141367 [0,1,0,0,0,0|2,0,1]=4 91 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)Cl Amb17159023 [0,1,0,0,0,0|2,0,1]=4 92 B16R1.51 CCCCNC(=O)CNc1ccc(cc1)F Amb17141917 [0,1,0,0,0,0|2,0,1]=4 93 B16R1.51 CCCCNC(=O)COc1ccc(I)cc1 Amb22269134 [0,1,0,0,0,0|2,0,1]=4 94 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Br Amb2104955 [0,1,0,0,0,0|2,0,1]=4 95 B16R1.51 CCCCNC(=O)COc1ccc(cc1)C Amb1826839 [0,1,0,0,0,0|2,0,1]=4 96 B16R1.51 CCCCNC(=O)CSc1ccc(cc1)C Amb1827573 [0,1,0,0,0,0|2,0,1]=4 97 B16R1.51 CCCCNC(=O)NCc1ccc(cc1)Cl Amb2282426 [0,1,0,0,0,0|2,0,1]=4 98 B16R1.51 COCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495190 [0,1,0,0,0,0|2,0,0]=3 99 B16R1.51 COCCNC(=O)\C=C\c1ccc(cc1)C Amb2458966 [0,1,0,0,0,0|2,0,0]=3 100 B16R1.51 Cc1ccc(CNC(=O)NCCCC)cc1 Amb21793956 [0,1,0,0,0,0|2,0,1]=4 101 B16R1.51 Cc1ccc(\C=C\C(=O)CCCCC)cc1 Amb22487148 [0,1,0,0,0,0|1,0,0]=2 102 B16R1.51 Cc1ccc(\C=C\C(=O)NCCCN)cc1 Amb18619963 [0,1,0,0,0,0|2,0,0]=3 103 B16R1.52 CCCCCC(=O)NCc1cccc(Br)c1 Amb21263895 [0,1,0,0,0,0|2,0,1]=4 104 B16R1.52 CCCCCC(=O)NCc1cccc(F)c1 Amb21263078 [0,1,0,0,0,0|2,0,1]=4 105 B16R1.52 CCCCNC(=O)CCc1cccc(Br)c1 Amb21127154 [0,1,0,0,0,0|1,0,2]=4 106 B16R1.52 CCCCNC(=O)CCc1cccc(c1)F Amb16948435 [0,1,0,0,0,0|1,0,2]=4 107 B16R1.52 CCCCNC(=O)CNc1cccc(Br)c1 Amb20143925 [0,1,0,0,0,0|2,0,1]=4 108 B16R1.52 CCCCNC(=O)CNc1cccc(c1)C Amb17141366 [0,1,0,0,0,0|2,0,1]=4 109 B16R1.52 CCCCNC(=O)CNc1cccc(c1)Cl Amb17159022 [0,1,0,0,0,0|2,0,1]=4 110 B16R1.52 CCCCNC(=O)CNc1cccc(c1)F Amb17141916 [0,1,0,0,0,0|2,0,1]=4 111 B16R1.52 CCCCNC(=O)COc1cccc(c1)C Amb2104948 [0,1,0,0,0,0|2,0,1]=4 112 B16R1.52 CCCCNC(=O)COc1cccc(c1)N Amb17109997 [0,1,0,0,0,0|2,0,1]=4 113 B16R1.52 CCCCNC(=O)NCc1cccc(c1)Cl Amb16802407 [0,1,0,0,0,0|2,0,1]=4 114 B16R1.52 CCCCOC(=O)COc1cc(N)ccc1 Amb23003491 [0,1,0,0,0,0|1,0,1]=3 115 B16R1.52 CCCCOC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10554287 [0,1,0,0,0,0|1,0,0]=2 116 B16R1.52 CCCCOC(=O)\C=C\c1cccc(O)c1 Amb22433227 [0,1,0,0,0,0|0,0,0]=1 117 B16R1.52 COCCNC(=O)\C=C\c1cccc(c1)N Amb17141268 [0,1,0,0,0,0|2,0,0]=3 118 B16R1.52 COCCOC(=O)COc1cc(N)ccc1 Amb23003494 [0,1,0,0,0,0|2,0,1]=4 119 B16R1.52 CSCCNC(=O)\C=C\c1cccc(O)c1 Amb24232085 [0,1,0,0,0,0|2,0,0]=3 120 B16R1.52 Cc1cc(C=CC(=O)NCCOC)ccc1 Amb20692657 [0,1,0,0,0,0|2,0,0]=3 121 B16R1.52 Cc1cc(CCC(=O)NCCCC)ccc1 Amb21187429 [0,1,0,0,0,0|1,0,2]=4 122 B16R1.52 Cc1cc(CNC(=O)CCCCC)ccc1 Amb21807922 [0,1,0,0,0,0|2,0,1]=4 123 B16R1.608 CC(C)CCNC(=O)C=Cc1ccc[n]c1 Amb20902240 [0,1,0,0,0,0|2,0,0]=3 124 B16R1.608 CC(C)CCNC(=O)\C=C\c1cc[n]cc1 Amb20923379 [0,1,0,0,0,0|2,0,0]=3 125 B16R1.608 CC(CCNC(=O)CNc1ccccc1)C Amb17141362 [0,1,0,0,0,0|2,0,1]=4 126 B16R1.608 CC(CCNC(=O)COc1ccccc1)C Amb1810485 [0,1,0,0,0,0|2,0,1]=4 127 B16R1.608 CC(CCNC(=O)NCc1ccccc1)C Amb16800199 [0,1,0,0,0,0|2,0,1]=4 128 B16R1.608 CC(N)CCNC(=O)OCc1ccccc1 Amb22754262 [0,1,0,0,0,0|2,0,1]=4 129 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 Amb25708920 [0,1,0,0,0,0|2,0,1]=4 130 B16R1.608 CC(O)CCNC(=O)OCc1ccccc1 Amb25287766 [0,1,0,0,0,0|2,0,1]=4 131 B16R1.608 CN(CCOC(=O)CCc1ccccc1)C Amb10824127 [0,1,0,0,0,0|1,0,2]=4 132 B16R1.608 CN(CCOC(=O)\C=C\c1ccccc1)C Amb1869500 [0,1,0,0,0,0|1,0,0]=2 133 B16R1.608 C[C@@H](N)CCNC(=O)OCc1ccccc1 Amb22831778 [0,1,0,0,0,0|2,0,1]=4 134 B16R1.608 O=C(\C=C\c1ccccc1)NCCC(=O)O Amb1211750 [0,1,0,0,0,0|2,0,1]=4 135 B16R1.688 BrCCCCNC(=O)OCc1ccccc1 Amb10608850 [0,1,0,0,0,0|2,0,1]=4 136 B16R1.688 CCCCC#CC(=O)NCc1ccccc1 Amb25758819 [0,1,0,0,0,0|2,0,1]=4 137 B16R1.688 CCCCCNC(=O)C=Cc1ccc[n]c1 Amb20902142 [0,1,0,0,0,0|2,0,0]=3 138 B16R1.688 CCCCCNC(=O)NCc1ccccc1 Amb16865187 [0,1,0,0,0,0|2,0,1]=4 139 B16R1.688 CCCCCNC(=O)OCc1ccccc1 Amb25186842 [0,1,0,0,0,0|2,0,1]=4 140 B16R1.688 CCCCCOC(=O)C=Cc1ccccc1 Amb15758314 [0,1,0,0,0,0|0,0,0]=1 141 B16R1.688 CCNCCNC(=O)CCc1ccccc1 Amb24778516 [0,1,0,0,0,0|1,0,2]=4 142 B16R1.688 CCNCCNC(=O)CNc1ccccc1 Amb25583116 [0,1,0,0,0,0|2,0,1]=4 143 B16R1.688 CCNCCNC(=O)COc1ccccc1 Amb24778443 [0,1,0,0,0,0|2,0,1]=4 144 B16R1.688 CCNCCNC(=O)CSc1ccccc1 Amb24778430 [0,1,0,0,0,0|2,0,1]=4 145 B16R1.688 CCNCCNC(=O)NCc1ccccc1 Amb25168530 [0,1,0,0,0,0|2,0,1]=4 146 B16R1.688 CCNCCNC(=O)OCc1ccccc1 Amb25773304 [0,1,0,0,0,0|2,0,1]=4 147 B16R1.688 CCNCCOC(=O)NCc1ccccc1 Amb24760004 [0,1,0,0,0,0|1,0,1]=3 148 B16R1.688 CCOCCNC(=O)OCc1ccccc1 Amb25713139 [0,1,0,0,0,0|2,0,1]=4 149 B16R1.688 CCSCCNC(=O)NCc1ccccc1 Amb25086919 [0,1,0,0,0,0|2,0,1]=4 150 B16R1.688 CNCCCNC(=O)CNc1ccccc1 Amb25577332 [0,1,0,0,0,0|2,0,1]=4 151 B16R1.688 CNCCCNC(=O)OCc1ccccc1 Amb20240988 [0,1,0,0,0,0|2,0,1]=4 152 B16R1.688 CNCCCNC(=O)OCc1ccccc1 Amb25039767 [0,1,0,0,0,0|2,0,1]=4 153 B16R1.688 COCCCNC(=O)C=Cc1ccc[n]c1 Amb20911383 [0,1,0,0,0,0|2,0,0]=3 154 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 Amb15702141 [0,1,0,0,0,0|1,0,0]=2 155 B16R1.688 COCCCNC(=O)CNc1ccccc1 Amb17141637 [0,1,0,0,0,0|2,0,1]=4 156 B16R1.688 COCCCNC(=O)NCc1ccccc1 Amb16004317 [0,1,0,0,0,0|2,0,1]=4 157 B16R1.688 COCCCNC(=O)\C=C\c1cc[n]cc1 Amb20923375 [0,1,0,0,0,0|2,0,0]=3 158 B16R1.688 COCCOCC(=O)NCc1ccccc1 Amb25168511 [0,1,0,0,0,0|2,0,1]=4 159 B16R1.688 COCCONC(=O)NCc1ccccc1 Amb17020501 [0,1,0,0,0,0|2,0,1]=4 160 B16R1.688 COCCONC(=O)OCc1ccccc1 Amb17020503 [0,1,0,0,0,0|2,0,1]=4 161 B16R1.688 NCCCCCC(=O)OCc1ccccc1 Amb20624433 [0,1,0,0,0,0|2,0,1]=4 162 B16R1.688 NCCCCCC(=O)OCc1ccccc1 Amb22058720 [0,1,0,0,0,0|2,0,1]=4 163 B16R1.688 NCCCCNC(=O)OCc1ccccc1 Amb16232673 [0,1,0,0,0,0|2,0,1]=4 164 B16R1.688 NCCCCNC(=O)\C=C\c1ccccc1 Amb18619997 [0,1,0,0,0,0|1,0,0]=2 165 B16R1.688 NCCCCOC(=O)NCc1ccccc1 Amb24515925 [0,1,0,0,0,0|1,0,1]=3 166 B16R1.688 OCCCCCC(=O)OCc1ccccc1 Amb24372145 [0,1,0,0,0,0|2,0,1]=4 167 B16R1.688 OCCCCNC(=O)NCc1ccccc1 Amb24432976 [0,1,0,0,0,0|2,0,1]=4 168 B16R1.688 OCCCCNC(=O)OCc1ccccc1 Amb22348075 [0,1,0,0,0,0|2,0,1]=4 169 B16R1.1216 CCCCNC(=O)C(=O)Cc1ccccc1 Amb17405255 [0,1,0,0,0,0|1,0,1]=3 170 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 Amb1807183 [0,1,0,0,0,0|2,0,0]=3 171 B16R1.1216 CCCCNC(=O)C(Cc1ccccc1)O Amb10574351 [0,1,0,0,0,0|1,0,2]=4 172 B16R1.1216 CCCCNC(=O)C(N)Cc1ccccc1 Amb21958692 [0,1,0,0,0,0|1,0,2]=4 173 B16R1.1216 CCCCNC(=O)N(C)Cc1ccccc1 Amb21793855 [0,1,0,0,0,0|2,0,1]=4 174 B16R1.1216 COCCNC(=O)C(=O)Cc1ccccc1 Amb17405748 [0,1,0,0,0,0|2,0,1]=4 175 B16R1.1216 COCCNC(=O)\C(=C\c1ccccc1)\C Amb1864602 [0,1,0,0,0,0|2,0,0]=3 176 B16R1.1216 C\C(=C\c1ccccc1)\C(=O)NCCOC Amb22524345 [0,1,0,0,0,0|2,0,0]=3 177 B16R1.1216 OCCCNC(=O)C(=O)Nc1ccccc1 Amb1000765 [0,1,0,0,0,0|3,0,0]=4 178 B16R1.1343 CC(CNC(=O)C=Cc1ccccc1)C#N Amb19368813 [0,1,0,0,0,0|2,0,1]=4 179 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 Amb25083627 [0,1,0,0,0,0|2,0,1]=4 180 B16R1.1343 CCC(C)CNC(=O)OCc1ccccc1 Amb24643726 [0,1,0,0,0,0|2,0,1]=4 181 B16R1.1343 CCC(N)CNC(=O)OCc1ccccc1 Amb25349614 [0,1,0,0,0,0|2,0,1]=4 182 B16R1.1343 CCC(O)CNC(=O)OCc1ccccc1 Amb25168453 [0,1,0,0,0,0|2,0,1]=4 183 B16R1.1343 CN(CCC(=O)C=Cc1ccccc1)OC Amb22229904 [0,1,0,0,0,0|3,0,0]=4 184 B16R1.1343 CN(CCC(=O)\C=C\c1ccccc1)OC Amb22497533 [0,1,0,0,0,0|3,0,0]=4 185 B16R1.1343 COC(=O)CNC(=O)\C=C\c1ccccc1 Amb1219873 [0,1,0,0,0,0|2,0,1]=4 186 B16R1.1516 CCCCC(=O)C(=O)NCc1ccccc1 Amb25112065 [0,1,0,0,0,0|2,0,1]=4 187 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 Amb25840336 [0,1,0,0,0,0|2,0,1]=4 188 B16R1.1516 CCCCC(N)C(=O)OCc1ccccc1 Amb25742653 [0,1,0,0,0,0|2,0,1]=4 189 B16R1.1516 CCCCN(C(=O)CNc1ccccc1)C Amb17141364 [0,1,0,0,0,0|2,0,1]=4 190 B16R1.1516 CCCCN(C(=O)CSc1ccccc1)C Amb16772466 [0,1,0,0,0,0|2,0,1]=4 191 B16R1.1516 CCCCN(C(=O)NCc1ccccc1)C Amb16865204 [0,1,0,0,0,0|2,0,1]=4 192 B16R1.1516 CCCCN(C)C(=O)OCc1ccccc1 Amb24518246 [0,1,0,0,0,0|2,0,1]=4 193 B16R1.1516 CCCC[C@@H](N)C(=O)NCc1ccccc1 Amb24363708 [0,1,0,0,0,0|2,0,1]=4 194 B16R1.1516 CCCC[C@@H](N)C(=O)OCc1ccccc1 Amb24181890 [0,1,0,0,0,0|2,0,1]=4 195 B16R1.1516 CCCC[C@H](N)C(=O)OCc1ccccc1 Amb22737282 [0,1,0,0,0,0|2,0,1]=4 196 B16R1.1570 CCCC(C)NC(=O)NCc1ccccc1 Amb25061167 [0,1,0,0,0,0|2,0,1]=4 197 B16R1.1570 CCOC(=O)CC(=O)\C=C\c1ccccc1 Amb17529751 [0,1,0,0,0,0|2,0,1]=4 198 B16R1.1570 CCOC(=S)NC(=O)\C=C\c1ccccc1 Amb16204376 [0,1,0,0,0,0|2,0,1]=4 199 B16R1.1570 CNCC(C)OC(=O)NCc1ccccc1 Amb25679365 [0,1,0,0,0,0|2,0,1]=4 200 B16R1.1570 COCC(NC(=O)\C=C\c1cccnc1)C Amb10630554 [0,1,0,0,0,0|3,0,0]=4 201 B16R1.1696 CCCCCC(=O)NCc1ccccc1F Amb2020116 [0,1,0,0,0,0|2,0,1]=4 202 B16R1.1696 CCCCNC(=O)CCc1ccccc1F Amb16948321 [0,1,0,0,0,0|1,0,2]=4 203 B16R1.1696 CCCCNC(=O)CCc1ccccc1O Amb20884052 [0,1,0,0,0,0|1,0,2]=4 204 B16R1.1696 CCCCNC(=O)CNc1ccccc1Br Amb19970622 [0,1,0,0,0,0|2,0,1]=4 205 B16R1.1696 CCCCNC(=O)CNc1ccccc1C Amb17141365 [0,1,0,0,0,0|2,0,1]=4 206 B16R1.1696 CCCCNC(=O)CNc1ccccc1Cl Amb17159021 [0,1,0,0,0,0|2,0,1]=4 207 B16R1.1696 CCCCNC(=O)CNc1ccccc1F Amb17141915 [0,1,0,0,0,0|2,0,1]=4 208 B16R1.1696 CCCCNC(=O)COc1ccccc1C Amb2104949 [0,1,0,0,0,0|2,0,1]=4 209 B16R1.1696 CCCCNC(=O)COc1ccccc1Cl Amb2104962 [0,1,0,0,0,0|2,0,1]=4 210 B16R1.1696 CCCCNC(=O)CSc1ccccc1Br Amb21176523 [0,1,0,0,0,0|2,0,1]=4 211 B16R1.1696 COCCNC(=O)\C=C\c1ccccc1Br Amb10468601 [0,1,0,0,0,0|2,0,0]=3 212 B16R1.1696 Cc1ccccc1CNC(=O)CCCCC Amb20703528 [0,1,0,0,0,0|2,0,1]=4 213 B16R1.1696 Cc1ccccc1SCC(=O)NCCCC Amb21373303 [0,1,0,0,0,0|2,0,1]=4 214 B16R1.20527 CCCCNS(=O)(=O)\C=C\c1ccccc1 Amb17903 [0,1,0,0,0,0|2,0,0]=3 215 B16R1.20527 COCCNS(=O)(=O)\C=C\c1ccccc1 Amb10613145 [0,1,0,0,0,0|3,0,0]=4 216 B14R0.529 CCCCOC(=O)\C=C/C(=O)OCC=C Amb17933919 [0,0,1,0,0,0|2,0,1]=4 217 B16R2.69 O=C1CCCCCN1Cc2ccccc2 Amb2416116 [0,0,0,1,0,0|2,0,1]=4 218 B16R2.69 O=C1NCCCCC1Sc2ccccc2 Amb11285994 [0,0,0,1,0,0|2,0,1]=4 219 B16R2.1443 CCC1CC1C(=O)NCc2ccccc2 Amb24601144 [0,0,0,1,0,0|2,0,1]=4 220 B16R2.1443 CC[C@@H]1C[C@H]1C(=O)C#Cc2ccccc2 Amb25031205 [0,0,0,1,0,0|1,0,2]=4 221 B16R2.2238 O=C(C=Cc1ccc[n]c1)N2CCCC2 Amb20911088 [0,0,0,1,0,0|2,0,0]=3 222 B16R2.2238 O=C(CNc1ccccc1)C2CCCC2 Amb25168317 [0,0,0,1,0,0|2,0,1]=4 223 B16R2.2238 O=C(OCc1ccccc1)C2CCCC2 Amb24393419 [0,0,0,1,0,0|2,0,1]=4 224 B16R2.2238 O=C(OCc1ccccc1)N2CCCC2 Amb19516196 [0,0,0,1,0,0|2,0,1]=4 225 B16R2.2334 CCC1COC(NCc2ccccc2)=N1 Amb25725958 [0,0,0,1,0,0|2,0,1]=4 226 B16R2.2334 ClCC1COC(C=Cc2ccccc2)O1 Amb24097647 [0,0,0,1,0,0|1,0,2]=4 227 B16R2.2441 BrCCCOc1ccc2c(c1)cccc2 Amb2231590 [0,0,0,1,0,0|2,0,0]=3 228 B16R2.2441 BrCCCOc1ccc2c(c1)cccn2 Amb17272079 [0,0,0,1,0,0|3,0,0]=4 229 B16R2.2441 CCCCNc1c[n]c2ccccc2[n]1 Amb18308788 [0,0,0,1,0,0|3,0,0]=4 230 B16R2.2441 CCCCOc1cc2ccc[n]c2cc1 Amb19108435 [0,0,0,1,0,0|2,0,0]=3 231 B16R2.2441 CNCCNc1ccc2ccccc2[n]1 Amb18313331 [0,0,0,1,0,0|3,0,0]=4 232 B16R2.2441 COCCSc1ccc2ccccc2[n]1 Amb20800706 [0,0,0,1,0,0|2,1,0]=4 233 B16R2.2441 ClCCCNc1ccc2ccccc2[n]1 Amb25791933 [0,0,0,1,0,0|3,0,0]=4 234 B16R2.2441 ClCCCOc1ccc2c(c1)cccn2 Amb17245288 [0,0,0,1,0,0|3,0,0]=4 235 B16R2.2441 NCCCCc1cc2ccccc2cc1 Amb18049792 [0,0,0,1,0,0|3,0,0]=4 236 B16R2.2441 NCCCOc1cc2[n]cccc2cc1 Amb18355161 [0,0,0,1,0,0|3,0,0]=4 237 B16R2.2441 NCCCOc1cc2c[n]ccc2cc1 Amb19107941 [0,0,0,1,0,0|3,0,0]=4 238 B16R2.2441 NCCCOc1ccc2c(c1)cccc2 Amb1135799 [0,0,0,1,0,0|2,0,0]=3 239 B16R2.2441 NNCCOc1ccc2c(c1)cccc2 Amb17402559 [0,0,0,1,0,0|3,0,0]=4 240 B16R2.2441 NOCCOc1ccc2c(c1)cccc2 Amb17088333 [0,0,0,1,0,0|3,0,0]=4 241 B16R2.2441 OCCCOc1ccc2c(c1)cccn2 Amb17105039 [0,0,0,1,0,0|3,0,0]=4 242 B16R2.2441 ONCCOc1ccc2c(c1)cccc2 Amb17088459 [0,0,0,1,0,0|3,0,0]=4 243 B16R2.2441 SCCCOc1ccc2c(c1)cccc2 Amb17243345 [0,0,0,1,0,0|2,0,0]=3 244 B16R2.2441 SCCCOc1ccc2c(c1)cccn2 Amb17243779 [0,0,0,1,0,0|3,0,0]=4 245 B16R2.2446 ClCC/1=NOC(=O)\C1=C/c2ccccc2 Amb16191826 [0,0,0,1,0,0|2,0,1]=4 246 B16R2.2446 OCC1COC(=O)N1Cc2ccccc2 Amb25077254 [0,0,0,1,0,0|2,0,1]=4 247 B16R2.2446 OC[C@H]1COC(=O)N1Cc2ccccc2 Amb24523369 [0,0,0,1,0,0|2,0,1]=4 248 B16R2.3193 CC1CC1NC(=O)CNc2ccccc2 Amb24772883 [0,0,0,1,0,0|2,0,1]=4 249 B16R2.3193 C[C@@H]1C[C@H]1NC(=O)OCc2ccccc2 Amb25286846 [0,0,0,1,0,0|2,0,1]=4 250 B16R2.5334 C1CCCCC(C=Cc2ccccc2)N1 Amb20667768 [0,0,0,1,0,0|2,0,1]=4 251 B16R2.30013 CCCCN1C(=O)CNc2c1cccc2 Amb17238160 [0,0,0,1,0,0|2,0,1]=4 252 B16R2.30013 CNCCc1c(O)ccc2ccccc12 Amb18940610 [0,0,0,1,0,0|2,0,1]=4 253 B16R2.30013 Cc1ccc2ccccc2c1CNCC Amb18940581 [0,0,0,1,0,0|3,0,0]=4 254 B16R2.30013 N#CCCN1C(=O)C=Cc2ccccc12 Amb24060066 [0,0,0,1,0,0|2,0,1]=4 255 B16R2.30013 NCCCN1C(=O)C=Cc2ccccc12 Amb18563359 [0,0,0,1,0,0|2,0,0]=3 256 B16R2.30013 NCCCN1C(=O)C=Nc2ccccc12 Amb18038055 [0,0,0,1,0,0|3,0,0]=4 257 B16R2.30013 O=C1C=Cc2ccccc2N1CCCBr Amb24587078 [0,0,0,1,0,0|2,0,0]=3 258 B16R2.44148 O=C(CNc1ccccc1)NC2CCC2 Amb24772864 [0,0,0,1,0,0|2,0,1]=4 259 B16R2.44148 O=C(NC1CCC1)OCc2ccccc2 Amb24374764 [0,0,0,1,0,0|2,0,1]=4 260 B16R2.44148 O=C(NCc1ccccc1)OC2CCC2 Amb25335799 [0,0,0,1,0,0|1,0,1]=3 261 B16R2.44148 O=C(NCc1ccccc1)OC2CNC2 Amb24340999 [0,0,0,1,0,0|2,0,1]=4 262 B16R2.44153 O=C(CCC1CC1)OCc2ccccc2 Amb24716943 [0,0,0,1,0,0|2,0,1]=4 263 B16R2.44153 O=C(CNc1ccccc1)NCC2CC2 Amb25388153 [0,0,0,1,0,0|2,0,1]=4 264 B16R2.44153 O=C(NCC1CC1)CCc2ccccc2 Amb15707561 [0,0,0,1,0,0|1,0,2]=4 265 B16R2.44153 O=C(NCC1CC1)OCc2ccccc2 Amb24453358 [0,0,0,1,0,0|2,0,1]=4 266 B16R2.44153 O=C(\C=C\c1ccccc1)NCC2CO2 Amb23557382 [0,0,0,1,0,0|2,0,0]=3 267 B16R2.44153 O=C(\C=C\c1cccnc1)NCC2CC2 Amb10708671 [0,0,0,1,0,0|2,0,0]=3 268 B14R1.86 COCCNC(=O)/C=C/c1ccco1 Amb17794098 [0,0,0,0,1,0|3,0,0]=4 269 B14R1.158 BrCCCCC(=O)Nc1ccccc1 Amb17264932 [0,0,0,0,1,0|3,0,0]=4 270 B14R1.158 CC#CCOC(=O)Nc1ccccc1 Amb22446260 [0,0,0,0,1,0|1,0,2]=4 271 B14R1.158 CCCC#CC(=O)Nc1ccccc1 Amb25049298 [0,0,0,0,1,0|2,0,1]=4 272 B14R1.158 CCCCCC(=O)Cc1ccccc1 Amb19061100 [0,0,0,0,1,0|1,0,1]=3 273 B14R1.158 CCCCNC(=N)Nc1ccccc1 Amb19073543 [0,0,0,0,1,0|3,0,0]=4 274 B14R1.158 CCCCNC(=O)Nc1cc[n]cc1 Amb25216887 [0,0,0,0,1,0|3,0,0]=4 275 B14R1.158 CCCCNC(=S)Cc1ccccc1 Amb10561700 [0,0,0,0,1,0|1,1,1]=4 276 B14R1.158 CCCCNC(=S)Nc1ccccc1 Amb1804766 [0,0,0,0,1,0|2,1,0]=4 277 B14R1.158 CCCSCC(=O)Nc1ccccc1 Amb2556744 [0,0,0,0,1,0|3,0,0]=4 278 B14R1.158 CC\C=C/OC(=O)Nc1ccccc1 Amb24658361 [0,0,0,0,1,0|1,0,2]=4 279 B14R1.158 CC\C=C\OC(=O)Nc1ccccc1 Amb25261935 [0,0,0,0,1,0|1,0,2]=4 280 B14R1.158 CC\C=N\OC(=O)Nc1ccccc1 Amb25690279 [0,0,0,0,1,0|2,0,1]=4 281 B14R1.158 CNCCNC(=O)Nc1ccccc1 Amb19027456 [0,0,0,0,1,0|3,0,0]=4 282 B14R1.158 COCCOC(=O)Nc1cc[n]cc1 Amb24084581 [0,0,0,0,1,0|3,0,0]=4 283 B14R1.158 CSCCNC(=O)Nc1ccccc1 Amb25678581 [0,0,0,0,1,0|3,0,0]=4 284 B14R1.158 C\C(\CNCCC)=C/c1ccccc1 Amb19890261 [0,0,0,0,1,0|3,0,0]=4 285 B14R1.158 C\C(\CNCCC)=C/c1ccccc1 Amb20673527 [0,0,0,0,1,0|3,0,0]=4 286 B14R1.158 NCCCNC(=O)Nc1ccccc1 Amb10808642 [0,0,0,0,1,0|3,0,0]=4 287 B14R1.158 NCCCNC(=O)Nc1ccccc1 Amb18330404 [0,0,0,0,1,0|3,0,0]=4 288 B14R1.158 O=C(Nc1ccccc1)NCCCF Amb25766553 [0,0,0,0,1,0|3,0,0]=4 289 B14R1.158 O=C(Nc1ccccc1)NCCCS Amb24366688 [0,0,0,0,1,0|3,0,0]=4 290 B16R1.1694 CCCCCC(=O)NOCc1ccccc1 Amb21432014 [0,0,0,0,0,1|2,0,1]=4 291 B16R1.1694 CCCCCC(=O)N\N=C\c1ccccc1 Amb1419526 [0,0,0,0,0,1|2,0,0]=3 292 B16R1.1694 CCCCNC(=O)CNCc1ccccc1 Amb20140970 [0,0,0,0,0,1|1,0,2]=4 293 B16R1.1694 CCCCNC(=O)COCc1ccccc1 Amb21376086 [0,0,0,0,0,1|1,0,2]=4 294 B16R1.1694 CCCCNC(=O)ON=Cc1c[n]ccc1 Amb22480197 [0,0,0,0,0,1|3,0,0]=4 295 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 Amb24586280 [0,0,0,0,0,1|0,0,2]=3 296 B16R1.1694 CCCCOC(=O)COCc1ccccc1 Amb25094860 [0,0,0,0,0,1|0,0,2]=3 297 B16R1.1694 COCCOC(=O)NOCc1ccccc1 Amb25722773 [0,0,0,0,0,1|2,0,1]=4 298 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [2,0,0,0,0,0|1,0,1]=4 299 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [2,0,0,0,0,0|0,0,2]=4 300 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [2,0,0,0,0,0|1,0,1]=4 301 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [2,0,0,0,0,0|1,0,1]=4 302 B13R1.42 C=COC(=O)\C=C\c1ccccc1 Amb10807746 [2,0,0,0,0,0|0,0,2]=4 303 B13R1.42 CC#CC(=O)\C=C\c1ccccc1 Amb24580491 [2,0,0,0,0,0|0,0,2]=4 304 B13R1.42 CCCC(=O)C#Cc1ccccc1 Amb17594320 [2,0,0,0,0,0|0,0,2]=4 305 B13R1.42 CCNC(=O)\C=C\c1ccc[n]c1 Amb25821659 [2,0,0,0,0,0|2,0,0]=4 306 B13R1.42 CCNC(=S)\C=C\c1ccccc1 Amb24606964 [2,0,0,0,0,0|1,1,0]=4 307 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [2,0,0,0,0,0|1,0,1]=4 308 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [2,0,0,0,0,0|1,0,1]=4 309 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [2,0,0,0,0,0|1,0,1]=4 310 B13R1.42 CCOC(=O)\C=C/c1ccccc1 Amb17613997 [2,0,0,0,0,0|0,0,0]=2 311 B13R1.42 CCOC(=O)\C=C\c1c[n]c[n]c1 Amb23571324 [2,0,0,0,0,0|2,0,0]=4 312 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb15695131 [2,0,0,0,0,0|1,0,0]=3 313 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [2,0,0,0,0,0|1,0,0]=3 314 B13R1.42 C\C=C/C(=O)\C=C\c1ccccc1 Amb25093685 [2,0,0,0,0,0|0,0,2]=4 315 B15R1.35 CCCCCCC\C=C\c1ccccc1 Amb10567021 [1,1,0,0,0,0|1,0,1]=4 316 B15R1.35 CCOCCNC\C=C\c1ccccc1 Amb24772695 [1,1,0,0,0,0|1,0,1]=4 317 B15R1.83 CCCCOCC(=O)Nc1ccccc1 Amb22229721 [1,1,0,0,0,0|1,0,1]=4 318 B15R1.83 C\C(\CNCCCC)=C/c1ccccc1 Amb20673564 [1,1,0,0,0,0|1,0,1]=4 319 B15R1.83 C\C(\CNCCCC)=C/c1ccccc1 Amb20673566 [1,1,0,0,0,0|1,0,1]=4 320 B15R1.138 CCCCO\C=C\C(=O)c1ccc[n]c1 Amb22387208 [1,1,0,0,0,0|1,0,0]=3 321 B15R1.778 CCCC(=O)OCC=Cc1ccccc1 Amb24323618 [1,1,0,0,0,0|0,0,2]=4 322 B15R1.115 CCCCC(=O)NN(c1ccccc1)C Amb1798278 [1,1,0,0,0,0|2,0,0]=4 323 B15R1.115 CCCNC(=O)\C=C(\c1ccccc1)/C Amb16797049 [1,1,0,0,0,0|1,0,0]=3 324 B15R1.127 CCCCC(=O)NCc1cccc(Br)c1 Amb21263666 [1,1,0,0,0,0|1,0,1]=4 325 B15R1.127 CCCCC(=O)NCc1cccc(F)c1 Amb21262603 [1,1,0,0,0,0|1,0,1]=4 326 B15R1.127 CCCNC(=O)C=Cc1cc(F)ccc1 Amb22269171 [1,1,0,0,0,0|1,0,0]=3 327 B15R1.127 CCCNC(=O)\C=C\c1cccc(c1)N Amb17139962 [1,1,0,0,0,0|1,0,0]=3 328 B15R1.127 CCCOC(=O)COc1cccc(N)c1 Amb23003482 [1,1,0,0,0,0|1,0,1]=4 329 B15R1.127 CCCOC(=O)\C=C\c1cc(O)ccc1 Amb22433226 [1,1,0,0,0,0|0,0,0]=2 330 B15R1.127 Cc1cc(C=CC(=O)NCCC)ccc1 Amb20694766 [1,1,0,0,0,0|1,0,0]=3 331 B15R1.127 Cc1cc(CNC(=O)CCCC)ccc1 Amb21807333 [1,1,0,0,0,0|1,0,1]=4 332 B15R1.139 C#CCOC(=O)C=Cc1ccc(F)cc1 Amb21525234 [1,1,0,0,0,0|0,0,2]=4 333 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C Amb10561850 [1,1,0,0,0,0|0,0,2]=4 334 B15R1.139 CCCNC(=O)/C=C/c1ccc(Br)cc1 Amb17860747 [1,1,0,0,0,0|1,0,0]=3 335 B15R1.139 CCCOC(=O)C=Cc1ccc(Cl)cc1 Amb22269215 [1,1,0,0,0,0|0,0,0]=2 336 B15R1.139 CCCOC(=O)CSc1ccc(Br)cc1 Amb22284901 [1,1,0,0,0,0|1,0,1]=4 337 B15R1.139 CCCOC(=O)NCc1ccc(Cl)cc1 Amb22474180 [1,1,0,0,0,0|1,0,1]=4 338 B15R1.139 Cc1ccc(cc1)NNC(=O)CCCC Amb22359207 [1,1,0,0,0,0|2,0,0]=4 339 B15R1.139 Cc1ccc(cc1)OCC(=O)OCCC Amb22269222 [1,1,0,0,0,0|1,0,1]=4 340 B15R1.139 Cc1ccc(cc1)\C=C\C(=O)NCCN Amb18619939 [1,1,0,0,0,0|2,0,0]=4 341 B15R1.139 OCCNC(=O)\C=C/c1ccc(Cl)cc1 Amb23504478 [1,1,0,0,0,0|2,0,0]=4 342 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 Amb10559246 [1,1,0,0,0,0|1,0,0]=3 343 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 Amb1548767 [1,1,0,0,0,0|2,0,0]=4 344 B15R1.551 CCCNC(=O)\C(=C\c1ccccc1)\C Amb1853628 [1,1,0,0,0,0|1,0,0]=3 345 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 Amb22269212 [1,1,0,0,0,0|1,0,1]=4 346 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 Amb25806017 [1,1,0,0,0,0|1,0,1]=4 347 B15R1.741 CCC(C)NC(=O)C=Cc1ccc[n]c1 Amb20911038 [1,1,0,0,0,0|2,0,0]=4 348 B15R1.741 CCC(NC(=O)\C=C\c1ccccc1)C Amb10767561 [1,1,0,0,0,0|1,0,0]=3 349 B15R1.741 CC[C@@H](O)CC(=O)NCc1ccccc1 Amb25840901 [1,1,0,0,0,0|1,0,1]=4 350 B15R1.741 CC[C@H](O)CC(=O)NCc1ccccc1 Amb24658296 [1,1,0,0,0,0|1,0,1]=4 351 B15R1.826 CCCC(N)C(=O)C#Cc1ccccc1 Amb24711596 [1,1,0,0,0,0|0,0,2]=4 352 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [1,1,0,0,0,0|1,0,1]=4 353 B15R1.826 CCCC(O)C(=O)C#Cc1ccccc1 Amb25773078 [1,1,0,0,0,0|0,0,2]=4 354 B15R1.826 CCC[C@@H](N)C(=O)NCc1ccccc1 Amb24426302 [1,1,0,0,0,0|1,0,1]=4 355 B15R1.826 CCC[C@@H](N)C(=O)OCc1ccccc1 Amb24555643 [1,1,0,0,0,0|1,0,1]=4 356 B15R1.826 CCC[C@H](N)C(=O)NCc1ccccc1 Amb24642523 [1,1,0,0,0,0|1,0,1]=4 357 B15R1.826 CCC[C@H](O)C(=O)OCc1ccccc1 Amb24373998 [1,1,0,0,0,0|1,0,1]=4 358 B15R1.826 CCOC(=O)C(=O)\C=C\c1ccccc1 Amb10567321 [1,1,0,0,0,0|1,0,1]=4 359 B15R1.1208 CCCOC(=O)COc1ccccc1F Amb22284900 [1,1,0,0,0,0|1,0,1]=4 360 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl Amb22284902 [1,1,0,0,0,0|1,0,1]=4 361 B15R1.1208 Cc1ccccc1C=CC(=O)NCCC Amb22269172 [1,1,0,0,0,0|1,0,0]=3 362 B15R1.1208 Cc1ccccc1OCC(=O)OCCC Amb22284898 [1,1,0,0,0,0|1,0,1]=4 363 B15R1.1208 OCCNC(=O)\C=C\c1ccccc1Cl Amb2000314 [1,1,0,0,0,0|2,0,0]=4 364 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 Amb21683356 [1,1,0,0,0,0|1,0,1]=4 365 B15R1.5919 CC(C)CNC(=O)C=Cc1ccc[n]c1 Amb20911624 [1,1,0,0,0,0|2,0,0]=4 366 B15R1.5919 CC(C)COC(=O)COc1ccccc1 Amb22732187 [1,1,0,0,0,0|1,0,1]=4 367 B15R1.5919 CC(CCC(=O)C#Cc1ccccc1)C Amb10562234 [1,1,0,0,0,0|0,0,2]=4 368 B15R1.5919 CC(CCC(=O)CCc1ccccc1)C Amb10561852 [1,1,0,0,0,0|0,0,2]=4 369 B15R1.5919 CC(CCC(=O)NCc1ccccc1)O Amb17338796 [1,1,0,0,0,0|1,0,1]=4 370 B15R1.5919 CC(N)CCC(=O)C#Cc1ccccc1 Amb25772326 [1,1,0,0,0,0|0,0,2]=4 371 B15R1.5919 CC(N)CCC(=O)NCc1ccccc1 Amb25269991 [1,1,0,0,0,0|1,0,1]=4 372 B15R1.5919 CC(N)CCC(=O)OCc1ccccc1 Amb25671189 [1,1,0,0,0,0|1,0,1]=4 373 B15R1.5919 CN(C)CCC(=O)\C=C\c1ccccc1 Amb22269286 [1,1,0,0,0,0|1,0,0]=3 374 B15R1.5919 O=C(\C=C\c1ccccc1)CCC(=O)O Amb2406416 [1,1,0,0,0,0|1,0,1]=4 375 B15R1.5919 O=C(\C=C\c1ccccc1)OCC(=O)N Amb1673092 [1,1,0,0,0,0|1,0,1]=4 376 B15R1.5934 CCCNS(=O)(=O)\C=C\c1ccccc1 Amb18861 [1,1,0,0,0,0|2,0,0]=4 377 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)I Amb11217201 [0,1,0,0,1,0|2,0,0]=4 378 B15R1.503 CN(CCOC(=O)\C=C\c1ccco1)C Amb1869504 [0,1,0,0,1,0|2,0,0]=4 379 B15R1.579 CCCCCNC(=O)/C=C/c1ccco1 Amb17861387 [0,1,0,0,1,0|2,0,0]=4 380 B15R1.579 COCCCNC(=O)/C=C/c1ccco1 Amb17870828 [0,1,0,0,1,0|2,0,0]=4 381 B15R1.579 NCCCCNC(=O)\C=C\c1ccco1 Amb18102558 [0,1,0,0,1,0|2,0,0]=4 382 B15R1.1021 CCCCNC(=O)\C(=C\c1cccs1)\C Amb16798975 [0,1,0,0,1,0|2,0,0]=4 383 B15R1.93 CCCCCC(=O)C(c1ccccc1)O Amb10565423 [0,1,0,0,1,0|1,0,1]=4 384 B15R1.128 CCCCNC(=O)Cc1ccc(N)cc1 Amb25388133 [0,1,0,0,1,0|1,0,1]=4 385 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)C Amb2236977 [0,1,0,0,1,0|2,0,0]=4 386 B15R1.128 CCCCNC(=O)Nc1ccc(cc1)I Amb11224135 [0,1,0,0,1,0|2,0,0]=4 387 B15R1.128 CCCCOC(=O)Nc1ccc(cc1)C Amb1395317 [0,1,0,0,1,0|1,0,0]=3 388 B15R1.128 CCCCOC(=O)Nc1ccc(cc1)F Amb1260904 [0,1,0,0,1,0|1,0,0]=3 389 B15R1.128 CCCCOC(=O)Nc1ccc(cc1)I Amb2555453 [0,1,0,0,1,0|1,0,0]=3 390 B15R1.129 CCCCCC(=O)Nc1cccc(F)c1 Amb17786077 [0,1,0,0,1,0|2,0,0]=4 391 B15R1.129 CCCCCC(=O)Nc1cccc(I)c1 Amb22269096 [0,1,0,0,1,0|2,0,0]=4 392 B15R1.129 CCCCNC(=O)Cc1cccc(Br)c1 Amb23111176 [0,1,0,0,1,0|1,0,1]=4 393 B15R1.129 CCCCNC(=O)Cc1cccc(Cl)c1 Amb23253599 [0,1,0,0,1,0|1,0,1]=4 394 B15R1.129 CCCCNC(=O)Nc1cccc(c1)C Amb2236982 [0,1,0,0,1,0|2,0,0]=4 395 B15R1.129 CCCCNC(=O)Nc1cccc(c1)I Amb11224396 [0,1,0,0,1,0|2,0,0]=4 396 B15R1.129 CCCCOC(=O)Nc1cccc(O)c1 Amb18656485 [0,1,0,0,1,0|1,0,0]=3 397 B15R1.129 CCCCOC(=O)Nc1cccc(c1)F Amb2555452 [0,1,0,0,1,0|1,0,0]=3 398 B15R1.129 COCCOC(=O)Nc1cc(O)ccc1 Amb22474221 [0,1,0,0,1,0|2,0,0]=4 399 B15R1.129 Cc1cc(ccc1)NC(=O)SCCCC Amb22346516 [0,1,0,0,1,0|1,1,0]=4 400 B15R1.809 CCCC(NC(=O)Nc1ccccc1)C Amb1233732 [0,1,0,0,1,0|2,0,0]=4 401 B15R1.1035 CCCCC\C(\CO)=C\c1ccccc1 Amb22002472 [0,1,0,0,1,0|1,0,1]=4 402 B15R1.1081 CC(CCSC(=O)Nc1ccccc1)C Amb10809849 [0,1,0,0,1,0|1,1,0]=4 403 B15R1.1081 CN(CCOC(=O)Cc1ccccc1)C Amb1869505 [0,1,0,0,1,0|1,0,1]=4 404 B15R1.1409 CCCCCC(=O)Nc1ccccc1F Amb17698022 [0,1,0,0,1,0|2,0,0]=4 405 B15R1.1409 CCCCCC(=O)Nc1ccccc1N Amb25388890 [0,1,0,0,1,0|2,0,0]=4 406 B15R1.1409 CCCCCC(=O)Nc1ccccc1O Amb21445664 [0,1,0,0,1,0|2,0,0]=4 407 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl Amb21373314 [0,1,0,0,1,0|1,0,1]=4 408 B15R1.1409 CCCCNC(=O)Cc1ccccc1F Amb23014334 [0,1,0,0,1,0|1,0,1]=4 409 B15R1.1409 CCCCNC(=O)Nc1ccccc1Cl Amb11223868 [0,1,0,0,1,0|2,0,0]=4 410 B15R1.1409 CCCCNC(=O)Nc1ccccc1F Amb1571258 [0,1,0,0,1,0|2,0,0]=4 411 B15R1.1409 CCCCNC(=O)Nc1ccccc1I Amb11223923 [0,1,0,0,1,0|2,0,0]=4 412 B15R1.1409 CCCCOC(=N)Cc1ccccc1Br Amb22463230 [0,1,0,0,1,0|1,0,1]=4 413 B17R1.4 CCCCOC(=O)CSCc1ccc(cc1)N Amb17497441 [0,1,0,0,0,1|0,0,2]=4 414 B17R1.1299 CCCCNC(=O)NNC(=O)c1ccccc1 Amb11223933 [0,1,0,0,0,1|2,0,0]=4 415 B17R1.1832 CCCCCC(=O)N/N=C/c1cccc(O)c1 Amb17768721 [0,1,0,0,0,1|2,0,0]=4 416 B17R1.1889 CCCCNC(=O)CC(=O)Nc1ccccc1 Amb22171392 [0,1,0,0,0,1|1,0,1]=4 417 B17R1.1889 CCCCOC(=O)CN(C)Cc1ccccc1 Amb21541173 [0,1,0,0,0,1|0,0,2]=4 418 B17R1.1909 CCCCNC(=O)C(=O)NCc1ccccc1 Amb1837598 [0,1,0,0,0,1|1,0,1]=4 419 B17R1.7823 CCCCCCC(=O)N/N=C/c1ccccc1 Amb17699985 [0,1,0,0,0,1|2,0,0]=4 420 B17R1.8944 CCCCCC(=O)N\N=C\c1ccccc1O Amb1672419 [0,1,0,0,0,1|2,0,0]=4 421 B17R1.675 CC(CCNC(=O)\C=C(\c1ccccc1)/C)C Amb16797109 [0,2,0,0,0,0|1,0,0]=3 422 B17R1.675 CN(CCNC(=O)\C=C(\c1ccccc1)/C)C Amb16797065 [0,2,0,0,0,0|2,0,0]=4 423 B17R1.724 CCCCCNC(=O)\C=C(\c1ccccc1)/C Amb16797110 [0,2,0,0,0,0|1,0,0]=3 424 B17R1.724 COCCCNC(=O)\C=C(\c1ccccc1)/C Amb16797062 [0,2,0,0,0,0|1,0,0]=3 425 B17R1.1538 CCCCN(C(=O)\C=C(\c1ccccc1)/C)C Amb16797111 [0,2,0,0,0,0|1,0,0]=3 426 B17R1.1887 CCCCOC(=O)NS(=O)(=O)c1ccccc1 Amb1009960 [0,2,0,0,0,0|2,0,0]=4 427 B17R1.8949 CCCCNC(=O)\C=C(\c1ccccc1)/CC Amb16797213 [0,2,0,0,0,0|1,0,0]=3 428 B17R1.8949 COCCNC(=O)\C=C(\c1ccccc1)/CC Amb16797219 [0,2,0,0,0,0|2,0,0]=4 429 B17R1.741 CCOCCNC(=O)C=Cc1ccc(F)cc1 Amb20762495 [0,2,0,0,0,0|1,0,0]=3 430 B17R1.741 COCCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495181 [0,2,0,0,0,0|1,0,0]=3 431 B17R1.741 Cc1ccc(\C=C\C(=O)NCCCCN)cc1 Amb18619998 [0,2,0,0,0,0|1,0,0]=3 432 B17R1.741 NCCCCNC(=O)\C=C\c1ccc(Cl)cc1 Amb18619992 [0,2,0,0,0,0|1,0,0]=3 433 B17R1.741 NCCCCNC(=O)\C=C\c1ccc(F)cc1 Amb18619991 [0,2,0,0,0,0|1,0,0]=3 434 B17R1.1079 CC(C)CCNC(=O)/C=C/c1ccc(F)cc1 Amb17699948 [0,2,0,0,0,0|1,0,0]=3 435 B17R1.1079 CC(N)CCNC(=O)C=Cc1ccc(Cl)cc1 Amb23966038 [0,2,0,0,0,0|1,0,0]=3 436 B17R1.1079 CC(N)CCNC(=O)C=Cc1ccc(F)cc1 Amb23966034 [0,2,0,0,0,0|1,0,0]=3 437 B17R1.1257 CCCCNC(=O)C(=O)Nc1ccc(cc1)C Amb1807971 [0,2,0,0,0,0|2,0,0]=4 438 B17R1.1257 CCCCNC(=O)\C(=C\c1ccc(cc1)Cl)\C Amb16799165 [0,2,0,0,0,0|1,0,0]=3 439 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(O)cc1 Amb19375037 [0,2,0,0,0,0|1,0,1]=4 440 B17R1.1257 CCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 Amb22800512 [0,2,0,0,0,0|0,0,2]=4 441 B17R1.1257 CCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1 Amb22801225 [0,2,0,0,0,0|0,0,2]=4 442 B17R1.1257 CCCCOC(=O)[C@H](Oc1ccc(cc1)O)C Amb15690579 [0,2,0,0,0,0|1,0,1]=4 443 B17R1.1257 COCCNC(=O)\C(=C\c1ccc(cc1)Cl)\C Amb16799170 [0,2,0,0,0,0|2,0,0]=4 444 B17R1.1402 CCC(C)COC(=O)CCc1ccc(N)cc1 Amb23942438 [0,2,0,0,0,0|0,0,2]=4 445 B17R1.1402 CCC(C)COC(=O)\C=C\c1ccc(N)cc1 Amb22732567 [0,2,0,0,0,0|0,0,0]=2 446 B17R1.1402 CNC(=O)COC(=O)\C=C\c1ccc(cc1)F Amb2278036 [0,2,0,0,0,0|1,0,1]=4 447 B17R1.1402 COC(=O)COC(=O)\C=C\c1ccc(cc1)Br Amb1936710 [0,2,0,0,0,0|1,0,1]=4 448 B17R1.1606 CCCCN(C)C(=O)C=Cc1ccc(F)cc1 Amb20841185 [0,2,0,0,0,0|1,0,0]=3 449 B17R1.1689 CCCC(NC(=O)\C=C\c1ccc(cc1)F)C Amb10770763 [0,2,0,0,0,0|1,0,0]=3 450 B17R1.1689 COCC(NC(=O)\C=C\c1ccc(cc1)Br)C Amb10666533 [0,2,0,0,0,0|2,0,0]=4 451 B17R1.1689 COCC(NC(=O)\C=C\c1ccc(cc1)Cl)C Amb1814337 [0,2,0,0,0,0|2,0,0]=4 452 B17R1.1689 COCC(NC(=O)\C=C\c1ccc(cc1)F)C Amb130507 [0,2,0,0,0,0|2,0,0]=4 453 B17R1.1869 CCCCNC(=O)/C=C/c1ccc(Cl)cc1Cl Amb17861177 [0,2,0,0,0,0|1,0,0]=3 454 B17R1.1869 NCCCNC(=O)\C=C\c1ccc(Cl)cc1Cl Amb18619959 [0,2,0,0,0,0|2,0,0]=4 455 B17R1.1871 CCCCNC(=O)\C=C\c1ccc(cc1)C#N Amb10612245 [0,2,0,0,0,0|1,0,0]=3 456 B17R1.1871 CCCCOC(=O)COc1ccc(CO)cc1 Amb20527841 [0,2,0,0,0,0|1,0,1]=4 457 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)C#N Amb22269141 [0,2,0,0,0,0|1,0,1]=4 458 B17R1.1871 CCCCOC(=O)COc1ccc(cc1)C=O Amb20527840 [0,2,0,0,0,0|1,0,1]=4 459 B17R1.1871 COCCNC(=O)\C=C\c1ccc(cc1)OC Amb1853965 [0,2,0,0,0,0|2,0,0]=4 460 B17R1.3349 CCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Amb22234969 [0,2,0,0,0,0|0,0,0]=2 461 B17R1.3349 COCCNC(=O)\C=C\c1ccc(Br)c(N)c1 Amb23495187 [0,2,0,0,0,0|2,0,0]=4 462 B17R1.3349 COCCNC(=O)\C=C\c1ccc(c(c1)N)Cl Amb17162000 [0,2,0,0,0,0|2,0,0]=4 463 B17R1.3349 Cc1ccc(C=CC(=O)NCCCC)cc1Cl Amb21127166 [0,2,0,0,0,0|1,0,0]=3 464 B17R1.742 CCCCCOC(=O)\C=C\c1cccc(O)c1 Amb22433228 [0,2,0,0,0,0|0,0,0]=2 465 B17R1.742 CCOCCOC(=O)COc1cc(N)ccc1 Amb23003495 [0,2,0,0,0,0|1,0,1]=4 466 B17R1.742 COCCCNC(=O)C=Cc1cccc(F)c1 Amb21127993 [0,2,0,0,0,0|1,0,0]=3 467 B17R1.742 COCCCNC(=O)\C=C\c1cccc(c1)N Amb17157737 [0,2,0,0,0,0|1,0,0]=3 468 B17R1.742 Cc1cc(\C=C\C(=O)NCCCCC)ccc1 Amb20692716 [0,2,0,0,0,0|1,0,0]=3 469 B17R1.1258 CCCCOC(=O)C(Oc1cccc(c1)N)C Amb17110003 [0,2,0,0,0,0|1,0,1]=4 470 B17R1.1403 CCC(C)COC(=O)COc1cccc(N)c1 Amb23942435 [0,2,0,0,0,0|1,0,1]=4 471 B17R1.1403 CNC(=O)COC(=O)\C=C\c1cccc(c1)Cl Amb2366985 [0,2,0,0,0,0|1,0,1]=4 472 B17R1.1403 CNC(=O)COC(=O)\C=C\c1cccc(c1)F Amb2277645 [0,2,0,0,0,0|1,0,1]=4 473 B17R1.1607 Cc1cc(C=CC(=O)N(C)CCCC)ccc1 Amb20841179 [0,2,0,0,0,0|1,0,0]=3 474 B17R1.1690 COCC(C)NC(=O)C=Cc1cccc(F)c1 Amb20694385 [0,2,0,0,0,0|2,0,0]=4 475 B17R1.1690 COCC(NC(=O)\C=C\c1cccc(c1)Br)C Amb10666536 [0,2,0,0,0,0|2,0,0]=4 476 B17R1.1690 COCC(NC(=O)\C=C\c1cccc(c1)C)C Amb10669055 [0,2,0,0,0,0|2,0,0]=4 477 B17R1.1690 COCC(NC(=O)\C=C\c1cccc(c1)Cl)C Amb10669059 [0,2,0,0,0,0|2,0,0]=4 478 B17R1.3343 CCCCNC(=O)\C=C\c1cccc(c1)OC Amb16767517 [0,2,0,0,0,0|1,0,0]=3 479 B17R1.3343 CCCCOC(=O)COc1cc(ccc1)C=O Amb20527843 [0,2,0,0,0,0|1,0,1]=4 480 B17R1.3343 CCCCOC(=O)COc1cccc(CO)c1 Amb20527842 [0,2,0,0,0,0|1,0,1]=4 481 B17R1.3343 COCCNC(=O)\C=C\c1cccc(c1)OC Amb15817875 [0,2,0,0,0,0|2,0,0]=4 482 B17R1.3343 COc1cc(ccc1)\C=C\C(=O)NCCCN Amb18619965 [0,2,0,0,0,0|2,0,0]=4 483 B17R1.6341 CCCCNC(=O)C=Cc1cc(Br)ccc1F Amb21127157 [0,2,0,0,0,0|1,0,0]=3 484 B17R1.6341 CCCCNC(=O)\C=C\c1cc(Cl)ccc1Cl Amb20816887 [0,2,0,0,0,0|1,0,0]=3 485 B17R1.6341 CCCCOC(=O)COc1cc(Cl)ccc1N Amb23946754 [0,2,0,0,0,0|1,0,1]=4 486 B17R1.6341 CCCCOC(=O)COc1cc(N)ccc1Cl Amb23977814 [0,2,0,0,0,0|1,0,1]=4 487 B17R1.14359 CN(CCNC(=O)\C=C\c1cccc(c1)F)C Amb16207793 [0,2,0,0,0,0|2,0,0]=4 488 B17R1.1218 COC(=O)CCNC(=O)\C=C\c1ccccc1 Amb23504766 [0,2,0,0,0,0|1,0,1]=4 489 B17R1.9289 CC(CCNC(=O)C(=O)Cc1ccccc1)C Amb17408291 [0,2,0,0,0,0|1,0,1]=4 490 B17R1.9289 CC(CCNC(=O)\C(=C\c1ccccc1)\C)C Amb1853631 [0,2,0,0,0,0|1,0,0]=3 491 B17R1.9289 CN(CCNC(=O)\C(=C\c1ccccc1)\C)C Amb16799066 [0,2,0,0,0,0|2,0,0]=4 492 B17R1.16221 CC(CCNS(=O)(=O)\C=C\c1ccccc1)C Amb19595 [0,2,0,0,0,0|2,0,0]=4 493 B17R1.16633 CC(O)C(N)CNC(=O)C=Cc1ccccc1 Amb23988214 [0,2,0,0,0,0|1,0,0]=3 494 B17R1.1287 CCCCCCNC(=O)C=Cc1ccc[n]c1 Amb20902268 [0,2,0,0,0,0|2,0,0]=4 495 B17R1.1287 CCCCCCOC(=O)OCc1ccccc1 Amb24504193 [0,2,0,0,0,0|1,0,1]=4 496 B17R1.1287 CCOCCCNC(=O)C=Cc1ccc[n]c1 Amb20913111 [0,2,0,0,0,0|2,0,0]=4 497 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccc1 Amb15702230 [0,2,0,0,0,0|1,0,0]=3 498 B17R1.1287 CC\C=C/CCOC(=O)\C=C\c1ccccc1 Amb22735036 [0,2,0,0,0,0|0,0,0]=2 499 B17R1.1287 NCCCCCNC(=O)\C=C\c1ccccc1 Amb18620047 [0,2,0,0,0,0|1,0,0]=3 500 B17R1.1287 O=C(NCc1ccccc1)OCCCCCBr Amb25830149 [0,2,0,0,0,0|1,0,1]=4 501 B17R1.1287 O=C(NCc1ccccc1)OCCCCCCl Amb24333198 [0,2,0,0,0,0|1,0,1]=4 502 B17R1.1287 O=C(\C=C\c1ccccc1)NCCCCCBr Amb22831670 [0,2,0,0,0,0|1,0,0]=3 503 B17R1.1324 CC(C)CCCNC(=O)C=Cc1ccc[n]c1 Amb21462681 [0,2,0,0,0,0|2,0,0]=4 504 B17R1.1324 CN(C)CCCNC(=O)C=Cc1ccc[n]c1 Amb20911430 [0,2,0,0,0,0|2,0,0]=4 505 B17R1.1324 CN(CCCOC(=O)CCc1ccccc1)C Amb10824096 [0,2,0,0,0,0|0,0,2]=4 506 B17R1.1324 CN(CCCOC(=O)COc1ccccc1)C Amb1869509 [0,2,0,0,0,0|1,0,1]=4 507 B17R1.1324 CN(CCCOC(=O)\C=C\c1ccccc1)C Amb1869501 [0,2,0,0,0,0|0,0,0]=2 508 B17R1.1448 CCCCCNC(=O)C(=O)Nc1ccccc1 Amb2167760 [0,2,0,0,0,0|2,0,0]=4 509 B17R1.1448 COCCCNC(=O)C(=O)Nc1ccccc1 Amb1859450 [0,2,0,0,0,0|2,0,0]=4 510 B17R1.1448 COCCCNC(=O)\C(=C\c1ccccc1)\C Amb1810504 [0,2,0,0,0,0|1,0,0]=3 511 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1Br Amb20688438 [0,2,0,0,0,0|1,0,0]=3 512 B17R1.5074 COCCCNC(=O)C=Cc1ccccc1F Amb21127972 [0,2,0,0,0,0|1,0,0]=3 513 B17R1.5074 COCCONC(=O)\C=C\c1ccccc1Br Amb24036292 [0,2,0,0,0,0|1,0,0]=3 514 B17R1.5074 Cc1ccccc1\C=C\C(=O)NOCCOC Amb24036335 [0,2,0,0,0,0|1,0,0]=3 515 B17R1.1572 CCCCN(C(=O)C(=O)Cc1ccccc1)C Amb17408293 [0,2,0,0,0,0|1,0,1]=4 516 B17R1.1572 CCCCN(C(=O)\C(=C\c1ccccc1)\C)C Amb16799089 [0,2,0,0,0,0|1,0,0]=3 517 B17R1.4026 CCCCNC(=O)\C(=C\c1ccccc1)\CC Amb16799203 [0,2,0,0,0,0|1,0,0]=3 518 B17R1.4026 COCCNC(=O)\C(=C\c1ccccc1)\CC Amb16799209 [0,2,0,0,0,0|2,0,0]=4 519 B17R1.6763 CCCCNC(=O)C(=O)Nc1ccccc1Br Amb2167880 [0,2,0,0,0,0|2,0,0]=4 520 B17R1.6763 CCCCNC(=O)C(=O)Nc1ccccc1C Amb1817341 [0,2,0,0,0,0|2,0,0]=4 521 B17R1.6763 CCCCNC(=O)C(=O)Nc1ccccc1Cl Amb1548751 [0,2,0,0,0,0|2,0,0]=4 522 B17R1.6763 CCCCNC(=O)\C(=C\c1ccccc1F)\C Amb16799098 [0,2,0,0,0,0|1,0,0]=3 523 B17R1.6763 COCCNC(=O)\C(=C\c1ccccc1F)\C Amb16799105 [0,2,0,0,0,0|2,0,0]=4 524 B17R1.9042 CNC(=O)COC(=O)\C=C\c1ccccc1Cl Amb2266184 [0,2,0,0,0,0|1,0,1]=4 525 B17R1.9122 CCCCN(C)C(=O)C=Cc1ccccc1Br Amb20841176 [0,2,0,0,0,0|1,0,0]=3 526 B17R1.4571 COCC(C)NC(=O)C=Cc1ccccc1F Amb20694371 [0,2,0,0,0,0|2,0,0]=4 527 B17R1.4571 COCC(NC(=O)\C=C\c1ccccc1Br)C Amb10666534 [0,2,0,0,0,0|2,0,0]=4 528 B17R1.1843 CCCCNC(=O)\C=C\c1ccccc1OC Amb2574073 [0,2,0,0,0,0|1,0,0]=3 529 B15R1.1402 CCCCOC(=O)c1ccccc1NN Amb24103363 [0,0,1,1,0,0|2,0,0]=4 530 B15R1.1397 CCCCOC(=O)c1cccc(c1)NC Amb17307153 [0,0,1,1,0,0|1,0,1]=4 531 B15R1.1380 CCCCOC(=O)c1cc(Br)ccc1N Amb16232951 [0,0,1,1,0,0|2,0,0]=4 532 B15R1.1380 CCCCOC(=O)c1cc(Br)ccc1O Amb16232952 [0,0,1,1,0,0|2,0,0]=4 533 B15R1.1380 CCCCOC(=O)c1cc(I)ccc1N Amb16232953 [0,0,1,1,0,0|2,0,0]=4 534 B15R1.1380 CCCCOC(=O)c1cc(I)ccc1O Amb16232954 [0,0,1,1,0,0|2,0,0]=4 535 B15R1.1380 CCCCOC(=O)c1cc(N)ccc1Cl Amb17307880 [0,0,1,1,0,0|2,0,0]=4 536 B15R1.1380 CCCCOC(=O)c1cc(O)ccc1N Amb24103362 [0,0,1,1,0,0|2,0,0]=4 537 B15R2.5 CCCCCn1ccc2c1cccc2 Amb10559920 [1,0,0,1,0,0|2,0,0]=4 538 B15R2.5 CCCCNc1c[nH]c2ccccc12 Amb25697144 [1,0,0,1,0,0|2,0,0]=4 539 B15R2.5 CCCCNc1c[s]c2ccccc21 Amb25054763 [1,0,0,1,0,0|2,0,0]=4 540 B15R2.5 CNCCOc1c[nH]c2ccccc12 Amb24069995 [1,0,0,1,0,0|2,0,0]=4 541 B15R2.72 CCC[n]1[n]ccc1-c2ccccc2 Amb19046097 [1,0,0,1,0,0|2,0,0]=4 542 B15R2.2167 C1CCC=C(CC1)Sc2ccccc2 Amb10573698 [1,0,0,1,0,0|2,0,0]=4 543 B15R2.2167 C1CCCCC(=Cc2ccccc2)C1 Amb10606580 [1,0,0,1,0,0|1,0,1]=4 544 B15R2.2167 C1CCCCC=C1Nc2ccccc2 Amb25075601 [1,0,0,1,0,0|2,0,0]=4 545 B15R2.2195 C1C=C(CCN1)C=Cc2ccccc2 Amb24589721 [1,0,0,1,0,0|2,0,0]=4 546 B15R2.2195 C1CCCC(C=Cc2ccccc2)N1 Amb23536595 [1,0,0,1,0,0|1,0,1]=4 547 B15R2.2195 C1CCCC(\C=C\c2ccccc2)N1 Amb24437276 [1,0,0,1,0,0|1,0,1]=4 548 B15R2.2195 C1CCSC(\C=C\c2ccccc2)=N1 Amb22442718 [1,0,0,1,0,0|1,1,0]=4 549 B15R2.2195 C1NCCOC1\C=C\c2ccccc2 Amb24376807 [1,0,0,1,0,0|1,0,1]=4 550 B15R2.2195 C1NCCO[C@@H]1\C=C\c2ccccc2 Amb25193523 [1,0,0,1,0,0|1,0,1]=4 551 B15R2.18471 BrCCCc1cccc2ccccc21 Amb19515547 [1,0,0,1,0,0|2,0,0]=4 552 B15R2.18471 CCCCc1cc[n]c2ccccc21 Amb24065909 [1,0,0,1,0,0|2,0,0]=4 553 B15R2.18471 CCCCc1cccc2c1cccc2 Amb10556080 [1,0,0,1,0,0|1,0,0]=3 554 B15R2.18471 CCCCc1nccc2c1cccc2 Amb10562265 [1,0,0,1,0,0|2,0,0]=4 555 B15R2.18471 CCNCc1cccc2c1cccc2 Amb1922692 [1,0,0,1,0,0|2,0,0]=4 556 B15R2.18471 COCC[n+]1cccc2c1cccc2 Amb16225673 [1,0,0,1,0,0|2,0,0]=4 557 B15R2.18471 ClCCCc1cccc2c1cccc2 Amb17477172 [1,0,0,1,0,0|2,0,0]=4 558 B15R2.18471 OCCCc1cccc2c1cccc2 Amb17477168 [1,0,0,1,0,0|2,0,0]=4 559 B15R2.18471 SCCCc1cccc2ccccc21 Amb23449914 [1,0,0,1,0,0|2,0,0]=4 560 B15R2.16 CCC1CC(=O)NC1c2ccccc2 Amb24638731 [1,0,0,1,0,0|1,0,1]=4 561 B15R2.16 CCC=1OC(=O)NC1c2ccccc2 Amb25186078 [1,0,0,1,0,0|1,0,1]=4 562 B15R2.16 CC[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb25219860 [1,0,0,1,0,0|1,0,1]=4 563 B15R2.33 CC1CCC(=O)C=C1c2ccccc2 Amb2226908 [1,0,0,1,0,0|0,0,0]=2 564 B15R2.33 CC1COC(=O)NC1c2ccccc2 Amb25752560 [1,0,0,1,0,0|1,0,1]=4 565 B15R2.33 CC=1CCC(=O)NC1c2ccccc2 Amb21951678 [1,0,0,1,0,0|1,0,1]=4 566 B15R2.33 C[C@@H]1COC(=O)N[C@H]1c2ccccc2 Amb24620897 [1,0,0,1,0,0|1,0,1]=4 567 B15R2.33 O=C1CCC(Cl)C(=N1)c2ccccc2 Amb25827129 [1,0,0,1,0,0|2,0,0]=4 568 B15R2.283 CC1CCC(\C=C\c2ccccc2)N1 Amb24336772 [1,0,0,1,0,0|1,0,1]=4 569 B15R2.283 CC1COC(C=Cc2ccccc2)O1 Amb24066146 [1,0,0,1,0,0|0,0,2]=4 570 B15R2.283 C[C@@H]1CC[C@H](\C=C\c2ccccc2)N1 Amb24651061 [1,0,0,1,0,0|1,0,1]=4 571 B15R2.352 CCCCc1c[n]c2ccccc2[n]1 Amb25328395 [1,0,0,1,0,0|2,0,0]=4 572 B15R2.352 CCCCc1cc2c[n]ccc2cc1 Amb18349240 [1,0,0,1,0,0|2,0,0]=4 573 B15R2.352 CCCCc1cc2ccc[n]c2cc1 Amb19108427 [1,0,0,1,0,0|2,0,0]=4 574 B15R2.352 CCCOc1cc2[n]cccc2cc1 Amb25249574 [1,0,0,1,0,0|2,0,0]=4 575 B15R2.352 CCCOc1cc2ccc[n]c2cc1 Amb24582114 [1,0,0,1,0,0|2,0,0]=4 576 B15R2.352 CCCOc1cc2ccccc2[n]c1 Amb25089042 [1,0,0,1,0,0|2,0,0]=4 577 B15R2.352 CCCOc1ccc2ccccc2[n]1 Amb20171237 [1,0,0,1,0,0|1,0,0]=3 578 B15R2.352 CCNCc1ccc2ccccc2[n]1 Amb19373560 [1,0,0,1,0,0|2,0,0]=4 579 B15R2.352 CNCCc1ccc2ccccc2[n]1 Amb18299521 [1,0,0,1,0,0|2,0,0]=4 580 B15R2.352 CSCCc1ccc2ccccc2[n]1 Amb24459371 [1,0,0,1,0,0|2,0,0]=4 581 B15R2.352 FCCOc1cc2ccccc2cc1 Amb24562684 [1,0,0,1,0,0|2,0,0]=4 582 B15R2.352 NCCCc1cc2ccccc2cc1 Amb18981387 [1,0,0,1,0,0|2,0,0]=4 583 B15R2.352 NCCCc1ccc2c(n1)cccc2 Amb17578461 [1,0,0,1,0,0|2,0,0]=4 584 B15R2.352 NCCOc1ccc2c(c1)cccc2 Amb1069042 [1,0,0,1,0,0|2,0,0]=4 585 B15R2.352 NCCOc1ccc2ccccc2[n]1 Amb18296487 [1,0,0,1,0,0|2,0,0]=4 586 B15R2.352 OCCCc1cc2ccccc2cc1 Amb24401038 [1,0,0,1,0,0|2,0,0]=4 587 B15R2.352 OCCCc1ccc2ccccc2[n]1 Amb20669490 [1,0,0,1,0,0|2,0,0]=4 588 B15R2.352 SCCOc1ccc2c(c1)cccc2 Amb17238164 [1,0,0,1,0,0|2,0,0]=4 589 B15R2.355 CC1CCC(=O)N1Cc2ccccc2 Amb20667833 [1,0,0,1,0,0|1,0,1]=4 590 B15R2.355 O=C/1OCC(=O)\C1=C/c2ccccc2 Amb24347145 [1,0,0,1,0,0|1,0,1]=4 591 B15R2.355 O=C/1ON=C(\C1=C\c2ccccc2)C Amb2228119 [1,0,0,1,0,0|1,0,1]=4 592 B15R2.505 CC1CC1C(=O)C#Cc2ccccc2 Amb25109435 [1,0,0,1,0,0|0,0,2]=4 593 B15R2.505 O=C(C=Cc1ccccc1)C2CC2Br Amb24059904 [1,0,0,1,0,0|1,0,0]=3 594 B15R2.543 NC1CCCCC(=C1)c2ccccc2 Amb25305038 [1,0,0,1,0,0|1,0,1]=4 595 B15R2.543 O=C1C=C(SCCN1)c2ccccc2 Amb24598262 [1,0,0,1,0,0|2,0,0]=4 596 B15R2.543 O=C1CC(CCCC1)c2ccccc2 Amb22059558 [1,0,0,1,0,0|0,0,2]=4 597 B15R2.543 O=C1CCCCC(=C1)c2c[n]cc[n]2 Amb24463521 [1,0,0,1,0,0|2,0,0]=4 598 B15R2.543 O=C1CCCCC(=C1)c2c[n]ccc2 Amb25801579 [1,0,0,1,0,0|1,0,0]=3 599 B15R2.543 O=C1CCCCC(N1)c2ccccc2 Amb25050480 [1,0,0,1,0,0|1,0,1]=4 600 B15R2.543 OC1CCCCC(=C1)c2ccccc2 Amb25071998 [1,0,0,1,0,0|0,0,2]=4 601 B15R2.546 O=C1CCCCc2ccccc2CN1 Amb24594306 [1,0,0,1,0,0|1,0,1]=4 602 B15R2.9941 CCCN1c2ccccc2C=CC1=O Amb24069972 [1,0,0,1,0,0|1,0,0]=3 603 B15R2.9941 NCCN1c2ccccc2C=CC1=O Amb18563358 [1,0,0,1,0,0|2,0,0]=4 604 B15R2.9941 OCCN1c2ccccc2C=CC1=O Amb25814497 [1,0,0,1,0,0|2,0,0]=4 605 B15R2.24490 O=C(C#Cc1ccccc1)C2CCC2 Amb24661265 [1,0,0,1,0,0|0,0,2]=4 606 B15R2.24490 OC(\C=C\c1ccccc1)C2CCC2 Amb25099378 [1,0,0,1,0,0|0,0,2]=4 607 B15R2.24494 O=C(CC1CC1)C#Cc2ccccc2 Amb25044871 [1,0,0,1,0,0|0,0,2]=4 608 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 Amb25715762 [1,0,0,1,0,0|1,0,1]=4 609 B15R2.3989 O=C(N1CCCC1)\C=C\c2cccs2 Amb1146647 [0,0,0,1,1,0|2,0,0]=4 610 B15R2.3989 O=C(N1CCCC1)\C=C\c2cccs2 Amb16208209 [0,0,0,1,1,0|2,0,0]=4 611 B15R2.31 CC1CCOC(Nc2ccccc2)=N1 Amb24336586 [0,0,0,1,1,0|2,0,0]=4 612 B15R2.31 C[C@@H]1CCO\C(\N1)=N/c2ccccc2 Amb25137293 [0,0,0,1,1,0|2,0,0]=4 613 B15R2.64 C\C(=C\c1ccccc1)\N2CCCC2 Amb24410545 [0,0,0,1,1,0|2,0,0]=4 614 B15R2.64 O=C(C1CCCC1)Cc2ccccc2 Amb17139197 [0,0,0,1,1,0|1,0,1]=4 615 B15R2.64 O=C(N1CCCC1)Nc2ccccc2 Amb1680298 [0,0,0,1,1,0|2,0,0]=4 616 B15R2.491 CC1CC1NC(=O)Oc2ccccc2 Amb25296826 [0,0,0,1,1,0|2,0,0]=4 617 B15R2.541 CC1CCNC(=O)N1c2ccccc2 Amb25378935 [0,0,0,1,1,0|2,0,0]=4 618 B15R2.541 CN1CCOC(=O)C1c2ccccc2 Amb24084894 [0,0,0,1,1,0|1,0,1]=4 619 B15R2.569 O=C1CCCCCc2ccccc2N1 Amb25782148 [0,0,0,1,1,0|2,0,0]=4 620 B15R2.1122 CC1CCN1C(=O)Nc2ccccc2 Amb24678783 [0,0,0,1,1,0|2,0,0]=4 621 B15R2.1256 O=C(CCC1CC1)Nc2ccccc2 Amb25243741 [0,0,0,1,1,0|2,0,0]=4 622 B15R2.1256 O=C(NCC1CC1)Oc2ccccc2 Amb24271481 [0,0,0,1,1,0|2,0,0]=4 623 B15R2.1256 O=C(Nc1ccccc1)OCC2CC2 Amb22480486 [0,0,0,1,1,0|1,0,0]=3 624 B15R2.1256 O=C(Nc1ccccc1)OCC2CS2 Amb25817796 [0,0,0,1,1,0|2,0,0]=4 625 B15R2.1435 CCCCC1C(=O)Nc2ccccc21 Amb24682707 [0,0,0,1,1,0|2,0,0]=4 626 B15R2.1435 CCCCN1C(=O)Nc2ccccc12 Amb18537190 [0,0,0,1,1,0|2,0,0]=4 627 B15R2.2203 CCCCCC=1Cc2ccccc2C1 Amb20242621 [0,0,0,1,1,0|2,0,0]=4 628 B15R2.2203 CCCCCc1cc2c([nH]1)cccc2 Amb10068533 [0,0,0,1,1,0|2,0,0]=4 629 B15R2.2203 CCCCNc1cc2ccccc2[nH]1 Amb25364014 [0,0,0,1,1,0|2,0,0]=4 630 B15R2.2216 CCCC1NC(=O)C1c2ccccc2 Amb24647614 [0,0,0,1,1,0|1,0,1]=4 631 B15R2.2280 CC[C@@H]1COC(=O)N1c2ccccc2 Amb17933381 [0,0,0,1,1,0|1,0,0]=3 632 B15R2.2280 COC=1COC(=O)C1c2ccccc2 Amb25038142 [0,0,0,1,1,0|1,0,1]=4 633 B15R2.2280 O=C1OCC(CCl)=C1c2ccccc2 Amb24066025 [0,0,0,1,1,0|1,0,1]=4 634 B15R2.2280 O=C1OCC(CCl)N1c2ccccc2 Amb24453174 [0,0,0,1,1,0|2,0,0]=4 635 B15R2.2280 OCC1COC(=O)C1c2ccccc2 Amb24735087 [0,0,0,1,1,0|1,0,1]=4 636 B15R2.4392 CCCC1NC(=O)Cc2ccccc21 Amb25752823 [0,0,0,1,1,0|1,0,1]=4 637 B15R2.16446 O=C(Cc1ccccc1)OC2CNC2 Amb21956243 [0,0,0,1,1,0|1,0,1]=4 638 B15R2.16446 O=C(Nc1ccccc1)OC2CCC2 Amb25365195 [0,0,0,1,1,0|1,0,0]=3 639 B15R2.16446 O=C(Nc1ccccc1)OC2CSC2 Amb24559789 [0,0,0,1,1,0|2,0,0]=4 640 B17R2.268 CCCCNc1[n]c(c[s]1)-c2ccccc2 Amb22584877 [0,0,0,1,0,1|2,0,0]=4 641 B17R2.2343 CCCCCC(=O)c1c[nH]c2c1cccc2 Amb1808988 [0,0,0,1,0,1|1,0,0]=3 642 B17R2.2343 CCCCNC(=O)c1n[nH]c2c1cccc2 Amb1384123 [0,0,0,1,0,1|2,0,0]=4 643 B17R2.2343 CCCCOC(=O)n1nnc2c1cccc2 Amb10559903 [0,0,0,1,0,1|2,0,0]=4 644 B17R2.2343 NCCCNC(=O)c1c[s]c2ccccc12 Amb25393808 [0,0,0,1,0,1|2,0,0]=4 645 B17R2.3395 O=C1CCCCCC1\C=C\c2ccccc2 Amb10564304 [0,0,0,1,0,1|1,0,0]=3 646 B17R2.3933 O=C1CCOC(=O)C1=CNc2ccccc2 Amb22469751 [0,0,0,1,0,1|1,0,1]=4 647 B17R2.6511 CCCCN1C(=O)NN=C1c2ccccc2 Amb19894667 [0,0,0,1,0,1|2,0,0]=4 648 B17R2.6511 NCCCN1C(=O)SC=C1c2ccccc2 Amb18534372 [0,0,0,1,0,1|2,0,0]=4 649 B17R2.294966 O=C(\C=C\Sc1ccccc1)NCC2CC2 Amb22440489 [0,0,0,1,0,1|1,0,0]=3 650 B17R2.716 CCCCN1N=C(CC1=O)c2ccccc2 Amb110777 [0,1,0,1,0,0|1,0,1]=4 651 B17R2.716 CCCCn1nc(cc1O)c2ccccc2 Amb2284460 [0,1,0,1,0,0|1,0,1]=4 652 B17R2.4993 O=C1CCCCCN1C(=O)c2ccccc2 Amb1545605 [0,1,0,1,0,0|2,0,0]=4 653 B17R2.12072 Cc1cc(NCCCC)[n]c2ccccc12 Amb20691871 [0,1,0,1,0,0|2,0,0]=4 654 B17R2.18165 CCC1CCC(O)=C1C(=O)c2ccccc2 Amb24068646 [0,1,0,1,0,0|1,0,1]=4 655 B17R2.18474 C\C(=C/C(=O)N1CCCC1)\c2ccccc2 Amb16797056 [0,1,0,1,0,0|1,0,0]=3 656 B17R2.18474 N\C(=C\C(=S)N1CCCC1)\c2ccccc2 Amb24100420 [0,1,0,1,0,0|1,1,0]=4 657 B17R2.18474 O=C(CC(=O)c1ccccc1)N2CCCC2 Amb24106376 [0,1,0,1,0,0|1,0,1]=4 658 B17R2.18474 O=C(c1ccccc1)NC(=O)N2CCCC2 Amb1253024 [0,1,0,1,0,0|2,0,0]=4 659 B17R2.18474 O=C(c1ccccc1)\C=C(\N2CCCC2)/C Amb2386639 [0,1,0,1,0,0|2,0,0]=4 660 B17R2.18474 O\C(=C\C(=S)N1CCCC1)\c2ccccc2 Amb24100422 [0,1,0,1,0,0|1,1,0]=4 661 B17R2.138581 CC1=CC(=O)N(CCCC)c2ccccc12 Amb19958260 [0,1,0,1,0,0|1,0,0]=3 662 B17R2.138581 CC1=CC(=O)c2ccccc2N1CCCC Amb18001460 [0,1,0,1,0,0|2,0,0]=4 663 B17R2.138581 CCCCN1C(=O)C=C(Cl)c2ccc[n]c12 Amb22753719 [0,1,0,1,0,0|2,0,0]=4 664 B17R2.138581 CCCCN1C(=O)C=C(O)c2ccccc12 Amb19518208 [0,1,0,1,0,0|1,0,0]=3 665 B17R2.138581 CCCCn1c(C)cc(=O)c2c1cccc2 Amb1397695 [0,1,0,1,0,0|2,0,0]=4 666 B17R2.202 Cc1ccc(cc1)/C=C/C(=O)N2CCCC2 Amb17700092 [0,1,0,1,0,0|1,0,0]=3 667 B17R2.202 O=C(N1CCCC1)C=Cc2ccc(cc2)F Amb15702100 [0,1,0,1,0,0|1,0,0]=3 668 B17R2.202 O=C(N1CCCC1)\C=C\c2ccc(cc2)Cl Amb2456475 [0,1,0,1,0,0|1,0,0]=3 669 B17R2.2015 CCCCOc1cc2OC(=O)C=Cc2cc1 Amb17974995 [0,1,0,1,0,0|2,0,0]=4 670 B17R2.2015 CCCCOc1cc2cc(N)c[n]c2cc1 Amb23580249 [0,1,0,1,0,0|2,0,0]=4 671 B17R2.56444 O=C(\C=C\c1ccc(Cl)cc1)NCC2CO2 Amb23557332 [0,1,0,1,0,0|2,0,0]=4 672 B17R2.2023 CCCCNc1ccc2c(n1)c(O)ccc2 Amb11038146 [0,1,0,1,0,0|2,0,0]=4 673 B17R2.5287 Brc1cccc(c1)\C=C\C(=O)N2CCCC2 Amb2256356 [0,1,0,1,0,0|1,0,0]=3 674 B17R2.5287 Fc1cccc(c1)\C=C\C(=O)N2CCCC2 Amb16207792 [0,1,0,1,0,0|1,0,0]=3 675 B17R2.5287 Nc1cccc(c1)\C=C\C(=O)N2CCCC2 Amb17140961 [0,1,0,1,0,0|1,0,0]=3 676 B17R2.73925 CCCCOc1cc2C=CC(=O)Nc2cc1 Amb18044541 [0,1,0,1,0,0|2,0,0]=4 677 B17R2.73925 CCCCOc1cc2[n]cc(N)cc2cc1 Amb23580260 [0,1,0,1,0,0|2,0,0]=4 678 B17R2.73925 CCCCOc1ccc2c(c1)ccc(c2)Br Amb2413132 [0,1,0,1,0,0|1,0,0]=3 679 B17R2.73925 CNCCOc1ccc2c(c1)ccc(c2)Br Amb10610417 [0,1,0,1,0,0|2,0,0]=4 680 B17R2.3231 OC1CN(CC1)C(=O)\C=C\c2ccccc2 Amb22172941 [0,1,0,1,0,0|1,0,0]=3 681 B17R2.5233 NC1CC(C1)OC(=O)NCc2ccccc2 Amb25168529 [0,1,0,1,0,0|1,0,1]=4 682 B17R2.5669 CN(N)CCOc1cc2ccccc2cc1 Amb18067193 [0,1,0,1,0,0|2,0,0]=4 683 B17R2.2342 O=C(C1CCCCC1)\C=C\c2ccccc2 Amb17595828 [0,1,0,1,0,0|1,0,0]=3 684 B17R2.2342 O=C(C=Cc1ccc[n]c1)N2CCCCC2 Amb20910985 [0,1,0,1,0,0|2,0,0]=4 685 B17R2.2342 O=C(C=Cc1ccccc1)N2CCOCC2 Amb24094235 [0,1,0,1,0,0|1,0,0]=3 686 B17R2.2342 O=C(N1CCNCC1)C=Cc2ccccc2 Amb17082029 [0,1,0,1,0,0|1,0,0]=3 687 B17R2.2342 O=C(N1CCNCC1)\C=C\c2ccccc2 Amb1111245 [0,1,0,1,0,0|1,0,0]=3 688 B17R2.2342 O=C(N1CCNCC1)\C=C\c2ccccn2 Amb17082026 [0,1,0,1,0,0|2,0,0]=4 689 B17R2.2342 O=C(N1CCNCC1)\C=C\c2cccnc2 Amb17082027 [0,1,0,1,0,0|2,0,0]=4 690 B17R2.2342 O=C(N1CCNCC1)\C=C\c2ccncc2 Amb17082028 [0,1,0,1,0,0|2,0,0]=4 691 B17R2.2342 O=C(OCc1ccccc1)N2CCCCO2 Amb24659261 [0,1,0,1,0,0|1,0,1]=4 692 B17R2.2342 O=C(\C=C\c1cc[n]cc1)N2CCCCC2 Amb20923297 [0,1,0,1,0,0|2,0,0]=4 693 B17R2.3530 O=C1CCCN1C(=O)\C=C\c2ccccc2 Amb2229598 [0,1,0,1,0,0|1,0,1]=4 694 B17R2.4676 CCCC1OC1C(=O)NCc2ccccc2 Amb25838824 [0,1,0,1,0,0|1,0,1]=4 695 B17R2.5879 BrCCCCOc1ccc2c(c1)cccc2 Amb2231594 [0,1,0,1,0,0|1,0,0]=3 696 B17R2.5879 CCNCCNc1ccc2ccccc2[n]1 Amb24778525 [0,1,0,1,0,0|2,0,0]=4 697 B17R2.5879 CCOCCOc1ccc2c(n1)cccc2 Amb2406295 [0,1,0,1,0,0|1,0,0]=3 698 B17R2.5879 NCCCCOc1cc2[n]cccc2cc1 Amb19108068 [0,1,0,1,0,0|2,0,0]=4 699 B17R2.5879 NCCCCOc1cc2c[n]ccc2cc1 Amb18355165 [0,1,0,1,0,0|2,0,0]=4 700 B17R2.5879 NCCCCOc1cc2cc[n]cc2cc1 Amb18355167 [0,1,0,1,0,0|2,0,0]=4 701 B17R2.5879 OCCCCNc1ccc2ccccc2[n]1 Amb23761809 [0,1,0,1,0,0|2,0,0]=4 702 B17R2.5881 C=CCC1CCC(=O)C=C1c2ccccc2 Amb22477771 [0,1,0,1,0,0|1,0,1]=4 703 B17R2.8343 O=C(NC1CCCC1)\C=C\c2cccnc2 Amb10629872 [0,1,0,1,0,0|2,0,0]=4 704 B17R2.8343 O=C(NC1CCCC1)\C=C\c2ccncc2 Amb10631475 [0,1,0,1,0,0|2,0,0]=4 705 B17R2.8343 O=C(NCc1ccccc1)OC2CCCC2 Amb24716767 [0,1,0,1,0,0|1,0,1]=4 706 B17R2.8343 O=C(NCc1ccccc1)OC2CNCC2 Amb25168536 [0,1,0,1,0,0|1,0,1]=4 707 B17R2.10256 CCCCOc1c(Br)ccc2ccc[n]c21 Amb23003271 [0,1,0,1,0,0|2,0,0]=4 708 B17R2.10256 CCCCOc1c(Cl)ccc2ccc[n]c21 Amb23003250 [0,1,0,1,0,0|2,0,0]=4 709 B17R2.10256 CCCCOc1c(I)ccc2ccc[n]c21 Amb23003298 [0,1,0,1,0,0|2,0,0]=4 710 B17R2.10256 CCCNCc1c(O)ccc2ccccc21 Amb20673504 [0,1,0,1,0,0|1,0,1]=4 711 B17R2.76752 O=C(COC1CCC1)OCc2ccccc2 Amb21961300 [0,1,0,1,0,0|1,0,1]=4 712 B17R2.2322 CC=CCOC(=O)c1cc2ccccc2[s]1 Amb21543765 [0,1,0,1,0,0|0,0,2]=4 713 B17R2.2322 CNCCNC(=O)c1cc2ccccc2[s]1 Amb24778717 [0,1,0,1,0,0|2,0,0]=4 714 B17R2.2322 CNCCNC(=O)c1cc2ccccc2o1 Amb24778738 [0,1,0,1,0,0|2,0,0]=4 715 B17R2.2322 COCCNC(=O)c1cc2c([nH]1)cccc2 Amb1230829 [0,1,0,1,0,0|2,0,0]=4 716 B17R2.2322 COCCNC(=O)c1cc2c(o1)cccc2 Amb2573483 [0,1,0,1,0,0|2,0,0]=4 717 B17R2.2322 NCCCNC(=O)c1cc2c([nH]1)cccc2 Amb1883948 [0,1,0,1,0,0|2,0,0]=4 718 B17R2.2322 NCCCNC(=O)c1cc2ccccc2[s]1 Amb25392999 [0,1,0,1,0,0|2,0,0]=4 719 B17R2.2322 OCCCNC(=O)c1cc2c([nH]1)cccc2 Amb1933254 [0,1,0,1,0,0|2,0,0]=4 720 B17R2.5722 O=C(C(=O)N1CCCC1)Cc2ccccc2 Amb17404738 [0,1,0,1,0,0|1,0,1]=4 721 B17R2.138659 CC1=Cc2ccccc2N(CCCN)C1=O Amb18065260 [0,1,0,1,0,0|2,0,0]=4 722 B17R2.138659 CCCCN1c2ccccc2NC(=O)C1=O Amb19553169 [0,1,0,1,0,0|2,0,0]=4 723 B17R2.226 CCC(=O)N1OC(=O)C=C1c2ccccc2 Amb21933500 [0,1,0,1,0,0|1,0,1]=4 724 B17R2.556 NC(CO)COc1cc2ccccc2cc1 Amb18067293 [0,1,0,1,0,0|2,0,0]=4 725 B17R2.556 NCC(COc1ccc2c(c1)cccc2)O Amb1140296 [0,1,0,1,0,0|2,0,0]=4 726 B17R2.556 NCC(O)COc1cc2ccccc2cc1 Amb21953923 [0,1,0,1,0,0|2,0,0]=4 727 B17R2.556 OC(CBr)COc1cc2ccccc2cc1 Amb23510082 [0,1,0,1,0,0|2,0,0]=4 728 B17R2.556 OCC(COc1ccc2c(c1)cccc2)C Amb17242265 [0,1,0,1,0,0|2,0,0]=4 729 B17R2.80277 CCC1(N)CC=C(N)C=C1c2ccccc2 Amb24059788 [0,1,0,1,0,0|2,0,0]=4 730 B17R2.80277 CCC1(O)CC=C(N)C=C1c2ccccc2 Amb24059818 [0,1,0,1,0,0|2,0,0]=4 731 B17R2.2104 CCCCC(=O)c1cc2ccccc2cc1 Amb22263686 [0,1,0,1,0,0|2,0,0]=4 732 B17R2.2159 CCCC(Br)Cc1cc2ccccc2cc1 Amb18548970 [0,1,0,1,0,0|2,0,0]=4 733 B17R2.2159 NCCC(Oc1ccc2c(c1)cccc2)C Amb17242060 [0,1,0,1,0,0|2,0,0]=4 734 B17R2.2159 OCCC(Oc1ccc2c(c1)cccc2)C Amb17242264 [0,1,0,1,0,0|2,0,0]=4 735 B17R2.50138 CCCC(c1c(O)ccc2c1cccc2)N Amb1993846 [0,1,0,1,0,0|1,0,1]=4 736 B17R2.50138 CCCC(c1c(O)ccc2c1cccc2)N Amb1993998 [0,1,0,1,0,0|1,0,1]=4 737 B17R2.50138 Cc1ccc2ccccc2c1C(N)CCC Amb18275288 [0,1,0,1,0,0|2,0,0]=4 738 B17R2.76771 CC(NC(=O)C=Cc1ccccc1)C2CC2 Amb20748292 [0,1,0,1,0,0|1,0,0]=3 739 B17R2.76771 O=C(NC(C1CC1)C)\C=C\c2cccnc2 Amb11284444 [0,1,0,1,0,0|2,0,0]=4 740 B17R2.3429 Cc1ccccc1C=CC(=O)N2CCCC2 Amb22288983 [0,1,0,1,0,0|1,0,0]=3 741 B17R2.3429 O=C(C=Cc1ccccc1Br)N2CCCC2 Amb21521802 [0,1,0,1,0,0|1,0,0]=3 742 B17R2.3429 O=C(C=Cc1ccccc1F)N2CCCC2 Amb22288979 [0,1,0,1,0,0|1,0,0]=3 743 B17R2.20620 O=C(\C=C\c1ccccc1Cl)NCC2CO2 Amb23557297 [0,1,0,1,0,0|2,0,0]=4 744 B17R2.103529 CCCCOc1ccc2c(c1)ccnc2Cl Amb17216947 [0,1,0,1,0,0|2,0,0]=4 745 B17R2.103529 CCCCOc1ccc2c(c1)ccnc2N Amb17216968 [0,1,0,1,0,0|2,0,0]=4 746 B17R3.1829 C1CCc2c(CC1)cc3c(n2)cccc3 Amb2416878 [0,0,0,2,0,0|2,0,0]=4 747 B17R3.1829 C1NCCOc2[n]c3ccccc3cc21 Amb20018091 [0,0,0,2,0,0|2,0,0]=4 748 B17R3.7921 O=C1CC2C(=C1)c3ccccc3CCC2 Amb17595262 [0,0,0,2,0,0|1,0,0]=3 749 B17R3.123564 C1NCC1Oc2cc3ccccc3cc2 Amb19084794 [0,0,0,2,0,0|2,0,0]=4 750 B17R3.648661 C1O[C@@H]1COc2cc3ccccc3cc2 Amb24601691 [0,0,0,2,0,0|2,0,0]=4 751 B17R3.648661 c1ccc2c(c1)cc(cc2)OCC3CO3 Amb2495644 [0,0,0,2,0,0|2,0,0]=4 752 B17R3.5457 O=C1C=Cc2ccccc2N1C[C@H]3CO3 Amb25030660 [0,0,0,2,0,0|2,0,0]=4 753 B13R1.44 CCCCC(=N)Nc1ccccc1 Amb25192472 [1,0,0,0,1,0|2,0,0]=4 754 B13R1.44 CCCCC(=S)Nc1ccccc1 Amb25785161 [1,0,0,0,1,0|1,1,0]=4 755 B13R1.44 CCCNC(=O)Nc1ccccc1 Amb1233730 [1,0,0,0,1,0|2,0,0]=4 756 B13R1.44 CCCOC(=O)Nc1c[n]ccc1 Amb25237614 [1,0,0,0,1,0|2,0,0]=4 757 B13R1.44 CCCOC(=O)Nc1cc[n]cc1 Amb25334198 [1,0,0,0,1,0|2,0,0]=4 758 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb15740952 [1,0,0,0,1,0|2,0,0]=4 759 B13R1.44 COCCC(=O)Nc1ccccc1 Amb24493758 [1,0,0,0,1,0|2,0,0]=4 760 B13R1.44 ClCCCC(=O)Nc1ccccc1 Amb1125144 [1,0,0,0,1,0|2,0,0]=4 761 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb13952779 [1,0,0,0,1,0|2,0,0]=4 762 B13R1.44 NCCOC(=O)Nc1ccccc1 Amb25856964 [1,0,0,0,1,0|2,0,0]=4 763 B13R1.44 O=C(CCCS)Nc1ccccc1 Amb25234554 [1,0,0,0,1,0|2,0,0]=4 764 B13R1.44 O=C(Cc1ccccc1)OCCBr Amb24065428 [1,0,0,0,1,0|1,0,1]=4 765 B13R1.44 O=C(Cc1ccccc1)OCCCl Amb24065572 [1,0,0,0,1,0|1,0,1]=4 766 B13R1.44 O=C(Nc1ccccc1)OCCBr Amb22346582 [1,0,0,0,1,0|2,0,0]=4 767 B13R1.44 O=C(Nc1ccccc1)OCCCl Amb22369350 [1,0,0,0,1,0|2,0,0]=4 768 B13R1.44 OCCCC(=O)Nc1ccccc1 Amb17233533 [1,0,0,0,1,0|2,0,0]=4 769 B13R1.24 C=CCCOC(=O)c1ccccc1 Amb22499457 [0,0,0,0,2,0|0,0,2]=4 770 B13R1.24 CCCC#CC(=O)c1ccccc1 Amb24491405 [0,0,0,0,2,0|1,0,1]=4 771 B13R1.24 CCCCCC(=O)c1cc[n]cc1 Amb18804653 [0,0,0,0,2,0|2,0,0]=4 772 B13R1.24 CCCCCC(=O)c1ccc[n]c1 Amb18184182 [0,0,0,0,2,0|2,0,0]=4 773 B13R1.24 CCCCNC(=O)c1ccncc1 Amb1954132 [0,0,0,0,2,0|2,0,0]=4 774 B13R1.24 CCCCNC(=S)c1ccccc1 Amb10561699 [0,0,0,0,2,0|1,1,0]=4 775 B13R1.24 CCCCOC(=O)c1cccnc1 Amb17509605 [0,0,0,0,2,0|1,0,0]=3 776 B13R1.24 CCCCOC(=O)c1ccncc1 Amb10573708 [0,0,0,0,2,0|1,0,0]=3 777 B13R1.24 CCCCSC(=O)c1ccccc1 Amb22231430 [0,0,0,0,2,0|0,1,0]=3 778 B13R1.24 CCC\C=N\C(=O)c1ccccc1 Amb24072851 [0,0,0,0,2,0|1,0,1]=4 779 B13R1.24 CCOCNC(=O)c1ccccc1 Amb24072678 [0,0,0,0,2,0|2,0,0]=4 780 B13R1.24 CNCCNC(=O)c1ccccc1 Amb19028050 [0,0,0,0,2,0|2,0,0]=4 781 B13R1.24 COCCOC(=N)c1ccccc1 Amb10553713 [0,0,0,0,2,0|2,0,0]=4 782 B13R1.24 COCCOC(=O)c1cc[n]cc1 Amb24065717 [0,0,0,0,2,0|2,0,0]=4 783 B13R1.24 CSCCOC(=O)c1ccc[n]c1 Amb24081199 [0,0,0,0,2,0|2,0,0]=4 784 B13R1.24 C[Se]CCNC(=O)c1ccccc1 Amb22347744 [0,0,0,0,2,0|2,0,0]=4 785 B13R1.24 O=C(OCCCCl)c1ccccc1 Amb24099970 [0,0,0,0,2,0|1,0,0]=3 786 B13R1.24 OCCCOC(=O)c1ccccc1 Amb22387917 [0,0,0,0,2,0|1,0,0]=3 787 B17R1.1854 CCOCCC(=O)NCC=Cc1ccccc1 Amb19507437 [0,0,0,0,0,2|2,0,0]=4