0 B16R2.2832 Brc1[n]c(COCc2ccccc2)[n][s]1 Amb24693088 [0,0,0,0,0,0|2,1,1]=4 1 B16R2.2832 Cc1[n]c(CSCc2ccccc2)[n]o1 Amb19420677 [0,0,0,0,0,0|2,1,1]=4 2 B16R2.2832 Ic1[n]c(COCc2ccccc2)[n][s]1 Amb24546797 [0,0,0,0,0,0|2,1,1]=4 3 B16R2.2832 NC1CC(CC1)NOCc2ccccc2 Amb25767227 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.2832 Nc1[nH][n]c(COCc2ccccc2)[n]1 Amb24571620 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.2832 Nc1[n][n](COCc2ccccc2)c[n]1 Amb25848339 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.2832 Nc1[n]c(CNCc2ccccc2)c[s]1 Amb18866843 [0,0,0,0,0,0|1,1,2]=4 7 B16R2.2832 Nc1[n]c(NOCc2ccccc2)[s][n]1 Amb25313832 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.2832 Nc1[n]cc(COCc2ccccc2)[s]1 Amb24418123 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.2832 Nc1cc(COCc2ccccc2)[nH][n]1 Amb21961231 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.2832 Nc1cc(COCc2ccccc2)o[n]1 Amb18654586 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.2832 Nc1cc[n](CCCc2ccccc2)[n]1 Amb19018439 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.2832 Nc1cc[n](COCc2ccccc2)[n]1 Amb18654274 [0,0,0,0,0,0|2,0,1]=3 13 B16R2.2832 O=C1CC(CN1)COCc2ccccc2 Amb24416706 [0,0,0,0,0,0|3,0,0]=3 14 B16R2.2832 O=C1CCC(COCc2ccccc2)N1 Amb24681146 [0,0,0,0,0,0|2,0,1]=3 15 B16R2.2832 O=C1CCC(COCc2ccccc2)O1 Amb25378980 [0,0,0,0,0,0|3,0,0]=3 16 B16R2.2832 O=C1CCC(N1)CNCc2ccccc2 Amb10607307 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.2832 O=C1CC[C@@H](CNCc2ccccc2)N1 Amb22586685 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.2832 O=C1CC[C@@H](COCc2ccccc2)N1 Amb24418408 [0,0,0,0,0,0|2,0,1]=3 19 B16R2.2832 O=C1CC[C@H](N1)CNCc2ccccc2 Amb10844923 [0,0,0,0,0,0|3,0,1]=4 20 B16R2.2832 O=C1NCC(CNCc2ccccc2)O1 Amb25137274 [0,0,0,0,0,0|4,0,0]=4 21 B16R2.2832 O=C1NC[C@@H](CNCc2ccccc2)O1 Amb25040024 [0,0,0,0,0,0|4,0,0]=4 22 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [0,0,0,0,0,0|1,0,1]=2 23 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [0,0,0,0,0,0|2,0,0]=2 24 B16R2.2832 Oc1c[nH]c(COCc2ccccc2)[n]1 Amb25241293 [0,0,0,0,0,0|3,0,1]=4 25 B16R2.2832 Sc1[n]c(COCc2ccccc2)[n]o1 Amb25257793 [0,0,0,0,0,0|2,0,1]=3 26 B15R2.2196 C(NCc1[n]oc[n]1)c2ccccc2 Amb25098031 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.2196 C(NCc1ccccc1)C2CC=CC2 Amb18649677 [1,0,0,0,0,0|3,0,0]=4 28 B15R2.2196 C(OC[n]1[n][n]c[n]1)c2ccccc2 Amb25790369 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.2196 C(OC[n]1ccc[n]1)c2ccccc2 Amb24685155 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.2196 C(OCc1[n]cco1)c2ccccc2 Amb24394412 [1,0,0,0,0,0|2,0,1]=4 31 B15R2.2196 C(OCc1c[nH]c[n]1)c2ccccc2 Amb25672638 [1,0,0,0,0,0|1,0,2]=4 32 B15R2.2196 C1CNC(C1)COCc2ccccc2 Amb2235511 [1,0,0,0,0,0|1,0,2]=4 33 B15R2.2196 C1CN[C@@H](C1)COCc2ccccc2 Amb17061752 [1,0,0,0,0,0|1,0,2]=4 34 B15R2.2196 C1NCCC1COCc2ccccc2 Amb19021967 [1,0,0,0,0,0|2,0,1]=4 35 B15R2.2196 C1NCC[C@H]1COCc2ccccc2 Amb25181937 [1,0,0,0,0,0|2,0,1]=4 36 B15R2.2196 C1OCCC1NOCc2ccccc2 Amb25167873 [1,0,0,0,0,0|2,0,1]=4 37 B17R2.212 S=C1SC(CS1)COCc2ccc(Cl)cc2 Amb22453293 [0,1,0,0,0,0|2,1,0]=4 38 B17R2.2523 C=Cc1[n]c(COCc2ccccc2)[n]o1 Amb25337026 [0,1,0,0,0,0|2,0,1]=4 39 B17R2.2523 ClCc1[n]c(COCc2ccccc2)[n]o1 Amb25662879 [0,1,0,0,0,0|2,0,1]=4 40 B17R2.2523 NCC1CCC(COCc2ccccc2)O1 Amb24452328 [0,1,0,0,0,0|2,0,1]=4 41 B17R2.2523 NCc1[n]c(COCc2ccccc2)[n]o1 Amb25856419 [0,1,0,0,0,0|1,0,1]=3 42 B17R2.2523 NCc1c[s]c(COCc2ccccc2)[n]1 Amb25125589 [0,1,0,0,0,0|2,0,1]=4 43 B17R2.2523 NCc1coc(COCc2ccccc2)[n]1 Amb25286874 [0,1,0,0,0,0|2,0,1]=4 44 B17R2.3229 CN(Cc1ccccc1)CC2CN=C(N)O2 Amb25290268 [0,1,0,0,0,0|3,0,0]=4 45 B17R2.3231 CC1=NC(CO1)C(=O)NCc2ccccc2 Amb24757582 [0,1,0,0,0,0|2,0,1]=4 46 B17R2.3231 CC1=N[C@H](CO1)C(=O)NCc2ccccc2 Amb25177845 [0,1,0,0,0,0|2,0,1]=4 47 B17R2.3241 O=C(OC[C@@H]1COC(=O)N1)c2ccccc2 Amb22353545 [0,1,0,0,0,0|1,0,2]=4 48 B17R2.3316 Cc1[s]c(COCc2ccccc2)[n]c1N Amb25248337 [0,1,0,0,0,0|2,0,1]=4 49 B17R2.3348 NC1CC(COCc2ccccc2)C(O)C1 Amb25706861 [0,1,0,0,0,0|2,0,1]=4 50 B17R2.3348 Nc1[n]c(Br)[n](COCc2ccccc2)[n]1 Amb25168551 [0,1,0,0,0,0|2,0,1]=4 51 B17R2.20821 CC1(C)OCC(O1)COCc2ccccc2 Amb17609083 [0,1,0,0,0,0|2,0,1]=4 52 B17R2.20821 CC1(C)OC[C@@H](O1)COCc2ccccc2 Amb16233060 [0,1,0,0,0,0|2,0,1]=4 53 B17R2.20821 CC1(C)O[C@H](COCc2ccccc2)CO1 Amb25269973 [0,1,0,0,0,0|2,0,1]=4 54 B15R1.157 CC(CNC=O)COCc1ccccc1 Amb24546500 [0,0,1,0,0,0|3,0,0]=4 55 B15R1.504 CC(=C)CCCCOCc1ccccc1 Amb25840939 [0,0,1,0,0,0|3,0,0]=4 56 B15R1.504 CC(=N)NCCCOCc1ccccc1 Amb25257442 [0,0,1,0,0,0|2,0,0]=3 57 B15R1.504 CC(=O)CCCCOCc1ccccc1 Amb24659207 [0,0,1,0,0,0|3,0,0]=4 58 B15R1.504 CC(=O)NCCCOCc1ccccc1 Amb25821607 [0,0,1,0,0,0|3,0,0]=4 59 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,1,0,0,0|3,0,0]=4 60 B15R1.504 CC(N)CCCCOCc1ccccc1 Amb24468931 [0,0,1,0,0,0|2,0,1]=4 61 B15R1.504 NC(=N)CCCCOCc1ccccc1 Amb25214522 [0,0,1,0,0,0|1,0,0]=2 62 B15R1.504 NC(=N)NCCCCCc1ccccc1 Amb19320760 [0,0,1,0,0,0|2,0,0]=3 63 B15R1.504 NC(=N)SCCCOCc1ccccc1 Amb25802156 [0,0,1,0,0,0|0,1,0]=2 64 B15R1.504 NC(=O)CCCCNCc1ccccc1 Amb24624957 [0,0,1,0,0,0|3,0,0]=4 65 B15R1.504 NC(=O)CNCCOCc1ccccc1 Amb24354694 [0,0,1,0,0,0|3,0,0]=4 66 B15R1.504 NC(=O)OCCCNCc1ccccc1 Amb25087951 [0,0,1,0,0,0|2,0,0]=3 67 B15R1.504 NC(=S)CCCCOCc1ccccc1 Amb25049696 [0,0,1,0,0,0|2,0,0]=3 68 B15R1.504 NC(=S)NCCCOCc1ccccc1 Amb24620736 [0,0,1,0,0,0|2,0,0]=3 69 B15R1.504 NC(N)=NCCCNCc1ccccc1 Amb25691428 [0,0,1,0,0,0|2,0,1]=4 70 B15R1.962 CCC(=O)CCCOCc1ccccc1 Amb25849760 [0,0,1,0,0,0|3,0,0]=4 71 B15R1.962 CCC(=O)NCCOCc1ccccc1 Amb24555793 [0,0,1,0,0,0|2,0,1]=4 72 B15R1.962 CCC(N)CCCOCc1ccccc1 Amb25361565 [0,0,1,0,0,0|2,0,1]=4 73 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb20668282 [0,0,1,0,0,0|3,0,0]=4 74 B15R1.1306 CCCC(CO)COCc1ccccc1 Amb25070183 [0,0,1,0,0,0|2,0,1]=4 75 B15R1.1306 [N-]=[N+]=NC(CF)COCc1ccccc1 Amb24743256 [0,0,1,0,0,0|2,0,1]=4 76 B15R1.1306 [N-]=[N+]=N[C@H](CO)COCc1ccccc1 Amb25164617 [0,0,1,0,0,0|1,0,1]=3 77 B15R1.9084 CC(=O)NC(C)COCc1ccccc1 Amb25186806 [0,0,1,0,0,0|1,0,2]=4 78 B15R1.9084 CC(CC(O)=O)NOCc1ccccc1 Amb25093085 [0,0,1,0,0,0|3,0,0]=4 79 B15R1.9084 CC(COCc1ccccc1)C=C(Br)Br Amb25776944 [0,0,1,0,0,0|3,0,0]=4 80 B15R1.9084 CC(COCc1ccccc1)CC(N)=S Amb25717615 [0,0,1,0,0,0|1,1,0]=3 81 B15R1.9084 CC(COCc1ccccc1)NC(N)=N Amb24531272 [0,0,1,0,0,0|1,0,1]=3 82 B15R1.9084 CC(COCc1ccccc1)NC(N)=O Amb24531304 [0,0,1,0,0,0|0,0,2]=3 83 B15R1.9084 C[C@@H](COCc1ccccc1)CC(N)=S Amb25680497 [0,0,1,0,0,0|1,1,0]=3 84 B15R1.9084 C[C@H](CC(=O)O)COCc1ccccc1 Amb10844391 [0,0,1,0,0,0|2,0,0]=3 85 B15R1.9084 C[C@H](COCc1ccccc1)CC(O)=O Amb25131145 [0,0,1,0,0,0|2,0,0]=3 86 B15R1.9084 C\C(\COCc1ccccc1)=C\C(O)=O Amb25293353 [0,0,1,0,0,0|2,0,1]=4 87 B15R1.9084 NC(=S)CC(O)COCc1ccccc1 Amb24436895 [0,0,1,0,0,0|2,1,0]=4 88 B15R1.9084 NC(N)=NC(=O)COCc1ccccc1 Amb24561056 [0,0,1,0,0,0|2,0,1]=4 89 B15R1.9084 OC(=O)C[C@H](O)COCc1ccccc1 Amb25725918 [0,0,1,0,0,0|3,0,0]=4 90 B17R3.3273 O=C1CC[C@@H]2CO[C@@H](c3ccccc3)N12 Amb17934272 [0,0,0,1,0,0|2,0,1]=4 91 B17R3.3273 O=C1CC[C@@H]2CO[C@H](c3ccccc3)N12 Amb23399669 [0,0,0,1,0,0|2,0,1]=4 92 B15R2.283 Cc1[n]c(COc2ccccc2)[n]o1 Amb25708048 [0,0,0,0,1,0|2,0,1]=4 93 B15R2.283 Clc1[n]c(COc2ccccc2)[n]o1 Amb24681945 [0,0,0,0,1,0|2,0,1]=4 94 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [0,0,0,0,1,0|1,1,0]=3 95 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [0,0,0,0,1,0|0,0,0]=1 96 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [0,0,0,0,1,0|1,0,0]=2 97 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [0,0,0,0,1,0|2,0,0]=3 98 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [0,0,0,0,1,0|2,1,0]=4 99 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [0,0,0,0,1,0|2,1,0]=4 100 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [0,0,0,0,1,0|1,0,0]=2 101 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [0,0,0,0,1,0|1,1,0]=3 102 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [0,0,0,0,1,0|2,0,1]=4 103 B15R2.283 NN1CC(CC1)OCc2ccccc2 Amb24522590 [0,0,0,0,1,0|3,0,0]=4 104 B15R2.283 N[C@H]1C[C@@H](CC1)OCc2ccccc2 Amb24553827 [0,0,0,0,1,0|2,0,1]=4 105 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [0,0,0,0,1,0|2,0,1]=4 106 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [0,0,0,0,1,0|3,0,0]=4 107 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [0,0,0,0,1,0|2,0,1]=4 108 B15R2.283 Nc1[n][n](c[n]1)OCc2ccccc2 Amb24651882 [0,0,0,0,1,0|2,0,1]=4 109 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [0,0,0,0,1,0|2,0,1]=4 110 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [0,0,0,0,1,0|1,1,1]=4 111 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [0,0,0,0,1,0|1,0,1]=3 112 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [0,0,0,0,1,0|0,1,2]=4 113 B15R2.283 Nc1[n]c(COc2ccccc2)[n][s]1 Amb18300287 [0,0,0,0,1,0|1,1,1]=4 114 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [0,0,0,0,1,0|1,0,1]=3 115 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [0,0,0,0,1,0|2,0,1]=4 116 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [0,0,0,0,1,0|3,0,0]=4 117 B15R2.283 Nc1c[s]c(COc2ccccc2)[n]1 Amb24714434 [0,0,0,0,1,0|2,0,1]=4 118 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [0,0,0,0,1,0|2,0,1]=4 119 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [0,0,0,0,1,0|2,0,1]=4 120 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [0,0,0,0,1,0|0,1,2]=4 121 B15R2.283 Nc1onc(c1)COc2ccccc2 Amb17234868 [0,0,0,0,1,0|2,0,1]=4 122 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [0,0,0,0,1,0|0,1,2]=4 123 B15R2.283 Nc1scc(n1)COc2ccccc2 Amb1106879 [0,0,0,0,1,0|0,1,2]=4 124 B15R2.283 O=C1C=C(CO1)OCc2ccccc2 Amb24310537 [0,0,0,0,1,0|2,0,1]=4 125 B15R2.283 O=C1CC(CN1)COc2ccccc2 Amb25665268 [0,0,0,0,1,0|3,0,0]=4 126 B15R2.283 O=C1CC(CN1)OCc2ccccc2 Amb25166196 [0,0,0,0,1,0|3,0,0]=4 127 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,0,1,0|3,0,0]=4 128 B15R2.283 O=C1CCC(N1)OCc2ccccc2 Amb25835161 [0,0,0,0,1,0|2,0,1]=4 129 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,0,1,0|3,0,0]=4 130 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,1,0|1,0,1]=3 131 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [0,0,0,0,1,0|1,0,1]=3 132 B15R2.283 O=C1NC[C@@H](COc2ccccc2)O1 Amb25315100 [0,0,0,0,1,0|3,0,0]=4 133 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [0,0,0,0,1,0|1,0,1]=3 134 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [0,0,0,0,1,0|2,0,0]=3 135 B15R2.283 OC1CC(CO1)OCc2ccccc2 Amb25740552 [0,0,0,0,1,0|2,0,1]=4 136 B15R2.283 OC1C[C@H](CO1)OCc2ccccc2 Amb25284216 [0,0,0,0,1,0|2,0,1]=4 137 B15R2.283 S=C1OC(CS1)COc2ccccc2 Amb22450310 [0,0,0,0,1,0|2,1,0]=4 138 B15R2.283 S=C1SC(CS1)COc2ccccc2 Amb22486691 [0,0,0,0,1,0|2,1,0]=4 139 B15R2.342 O=C1CCC1COCc2ccccc2 Amb25316137 [0,0,0,0,1,0|2,0,0]=3 140 B15R2.617 ClC1CC(C1)COCc2ccccc2 Amb10601457 [0,0,0,0,1,0|2,0,1]=4 141 B15R2.617 N[C@@H]1C[C@H](COCc2ccccc2)C1 Amb22746994 [0,0,0,0,1,0|1,0,1]=3 142 B15R2.617 O=C1CC(C1)COCc2ccccc2 Amb10873134 [0,0,0,0,1,0|2,0,0]=3 143 B15R2.617 O=C1C[C@H](COCc2ccccc2)N1 Amb25727775 [0,0,0,0,1,0|1,0,1]=3 144 B15R2.617 OC1CC(C1)COCc2ccccc2 Amb10601456 [0,0,0,0,1,0|2,0,1]=4 145 B17R2.216 C=C1CCC(COCc2ccccc2)CC1 Amb25325531 [0,0,0,0,0,1|3,0,0]=4 146 B17R2.216 Nc1ccc(COCc2ccccc2)c[n]1 Amb18309407 [0,0,0,0,0,1|1,0,2]=4 147 B17R2.216 O=C1CCC(COCc2ccccc2)CC1 Amb24407611 [0,0,0,0,0,1|3,0,0]=4 148 B17R2.3230 NC1CC(CC1)CCOCc2ccccc2 Amb24591935 [0,0,0,0,0,1|2,0,1]=4 149 B17R2.3230 NC1CC(CC1)OCOCc2ccccc2 Amb25221218 [0,0,0,0,0,1|2,0,1]=4 150 B17R2.3230 Nc1[nH][n]c([n]1)SCOCc2ccccc2 Amb25823405 [0,0,0,0,0,1|2,0,1]=4 151 B17R2.3230 Nc1[n]c(CCOCc2ccccc2)[n][s]1 Amb24552681 [0,0,0,0,0,1|1,1,1]=4 152 B17R2.3230 Nc1cc[n](CCOCc2ccccc2)[n]1 Amb25859539 [0,0,0,0,0,1|2,0,1]=4 153 B17R2.3230 O=C1CC(CCOCc2ccccc2)CC1 Amb24677288 [0,0,0,0,0,1|3,0,0]=4 154 B17R2.3230 Oc1[n]c(CNOCc2ccccc2)[n]o1 Amb24739988 [0,0,0,0,0,1|2,0,1]=4 155 B17R2.3230 Sc1[n]c(CCOCc2ccccc2)[n]o1 Amb24709576 [0,0,0,0,0,1|2,0,1]=4 156 B17R2.5301 Nc1[n]c(COCc2ccccc2)cc[n]1 Amb25168761 [0,0,0,0,0,1|1,0,2]=4 157 B17R2.5301 O=C1CC(COCc2ccccc2)OCC1 Amb25201842 [0,0,0,0,0,1|3,0,0]=4 158 B14R1.123 C=CCCCCOCc1ccccc1 Amb24546989 [1,0,1,0,0,0|2,0,0]=4 159 B14R1.123 NCCCCCOCc1ccccc1 Amb19051268 [1,0,1,0,0,0|1,0,1]=4 160 B14R1.520 C=CC[C@@H](O)COCc1ccccc1 Amb25135265 [1,0,1,0,0,0|2,0,0]=4 161 B14R1.520 C=CC[C@H](O)COCc1ccccc1 Amb24506714 [1,0,1,0,0,0|2,0,0]=4 162 B14R1.520 CC(CC=O)COCc1ccccc1 Amb24441026 [1,0,1,0,0,0|1,0,1]=4 163 B14R1.520 CC(COCc1ccccc1)N=C=O Amb24546169 [1,0,1,0,0,0|0,0,2]=4 164 B14R1.520 CC(COCc1ccccc1)\C=C\I Amb24336857 [1,0,1,0,0,0|2,0,0]=4 165 B14R1.520 COCC(O)COCc1ccccc1 Amb25736726 [1,0,1,0,0,0|1,0,1]=4 166 B14R1.520 C[C@@H](CCO)COCc1ccccc1 Amb24642443 [1,0,1,0,0,0|1,0,1]=4 167 B14R1.520 C[C@H](CC=O)COCc1ccccc1 Amb25350547 [1,0,1,0,0,0|1,0,1]=4 168 B14R1.520 C[C@H](CCO)COCc1ccccc1 Amb24337472 [1,0,1,0,0,0|1,0,1]=4 169 B14R1.520 C\C=C\C(O)COCc1ccccc1 Amb24371128 [1,0,1,0,0,0|2,0,0]=4 170 B14R1.520 NCCC(O)COCc1ccccc1 Amb24378045 [1,0,1,0,0,0|1,0,1]=4 171 B14R1.520 NNC[C@@H](O)COCc1ccccc1 Amb25741437 [1,0,1,0,0,0|2,0,0]=4 172 B14R1.520 NOCC(O)COCc1ccccc1 Amb25351121 [1,0,1,0,0,0|1,0,0]=3 173 B14R1.422 CC(=O)CCCOCc1ccccc1 Amb19078943 [1,0,1,0,0,0|2,0,0]=4 174 B14R1.422 CC(=O)NCCOCc1ccccc1 Amb23166894 [1,0,1,0,0,0|1,0,1]=4 175 B14R1.422 CC(N)CCCOCc1ccccc1 Amb19042251 [1,0,1,0,0,0|1,0,1]=4 176 B14R1.422 NC(=N)SCCOCc1ccccc1 Amb24377364 [1,0,1,0,0,0|2,0,0]=4 177 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [1,0,1,0,0,0|1,0,1]=4 178 B14R1.422 NC(=O)NCCOCc1ccccc1 Amb25059842 [1,0,1,0,0,0|0,0,2]=4 179 B14R1.422 NC(=S)NCCOCc1ccccc1 Amb24359957 [1,0,1,0,0,0|0,1,1]=4 180 B14R1.546 CCC(COCc1ccccc1)NN Amb24590483 [1,0,1,0,0,0|1,0,1]=4 181 B14R1.546 CC[C@@H](COCc1ccccc1)C=O Amb25122616 [1,0,1,0,0,0|2,0,0]=4 182 B14R1.546 CC[C@H](CO)COCc1ccccc1 Amb24704255 [1,0,1,0,0,0|1,0,1]=4 183 B14R1.546 CO[C@@H](COCc1ccccc1)CO Amb25316044 [1,0,1,0,0,0|1,0,1]=4 184 B14R1.546 N#CC(CO)COCc1ccccc1 Amb25706059 [1,0,1,0,0,0|0,0,2]=4 185 B14R1.546 NCC(CO)COCc1ccccc1 Amb25839371 [1,0,1,0,0,0|0,0,1]=3 186 B14R1.546 NC[C@@H](CO)COCc1ccccc1 Amb24384147 [1,0,1,0,0,0|0,0,1]=3 187 B14R1.546 NC[C@H](CO)COCc1ccccc1 Amb25776834 [1,0,1,0,0,0|0,0,1]=3 188 B14R1.546 OCC(COCc1ccccc1)CO Amb23439619 [1,0,1,0,0,0|1,0,1]=4 189 B16R1.1694 C=CCOCC(O)COCc1ccccc1 Amb22056052 [0,1,1,0,0,0|2,0,0]=4 190 B16R1.18213 CC(CNC(N)=O)COCc1ccccc1 Amb25186773 [0,1,1,0,0,0|2,0,0]=4 191 B16R1.18213 NC(=N)SCC(O)COCc1ccccc1 Amb24711803 [0,1,1,0,0,0|1,1,0]=4 192 B16R1.610 CN(Cc1ccccc1)CCCNC(=N)N Amb11198584 [0,1,1,0,0,0|2,0,0]=4 193 B16R1.610 CN(Cc1ccccc1)CCCNC(N)=N Amb24186971 [0,1,1,0,0,0|2,0,0]=4 194 B16R1.1166 CNC(=O)NCCCOCc1ccccc1 Amb11258866 [0,1,1,0,0,0|2,0,0]=4 195 B16R1.1166 CNC(=O)OCCCNCc1ccccc1 Amb25713230 [0,1,1,0,0,0|2,0,0]=4 196 B16R1.1166 NNC(=O)CCCCOCc1ccccc1 Amb25225386 [0,1,1,0,0,0|2,0,0]=4 197 B16R1.1166 NNC(=S)NCCCOCc1ccccc1 Amb25186763 [0,1,1,0,0,0|2,0,0]=4 198 B16R1.1166 N\C(=N\N)\SCCCOCc1ccccc1 Amb25360500 [0,1,1,0,0,0|0,1,0]=3 199 B16R1.1166 N\C(\NCCCOCc1ccccc1)=N\N Amb25186704 [0,1,1,0,0,0|1,0,0]=3 200 B16R1.4131 CC(=N)N(C)CCCOCc1ccccc1 Amb24692142 [0,1,1,0,0,0|2,0,0]=4 201 B16R1.4131 CC(OCCOCc1ccccc1)C(N)=N Amb25168628 [0,1,1,0,0,0|2,0,0]=4 202 B16R1.4131 CN(CCCOCc1ccccc1)C(N)=O Amb24244469 [0,1,1,0,0,0|2,0,0]=4 203 B16R1.4131 NC(=O)[C@@H](N)CCCOCc1ccccc1 Amb24587434 [0,1,1,0,0,0|2,0,0]=4 204 B16R1.932 CCOC(=O)CCCOCc1ccccc1 Amb25769415 [0,1,1,0,0,0|2,0,0]=4 205 B16R1.932 COCC(=O)NCCOCc1ccccc1 Amb23286298 [0,1,1,0,0,0|1,0,1]=4 206 B16R1.1329 CN\C(\N)=N\CCS(=O)Cc1ccccc1 Amb25541189 [0,1,1,0,0,0|1,1,0]=4 207 B16R1.1635 COC(=O)N(C)CCOCc1ccccc1 Amb24522628 [0,1,1,0,0,0|1,0,1]=4 208 B16R1.1635 COC(=O)[C@@H](N)CCOCc1ccccc1 Amb25200343 [0,1,1,0,0,0|2,0,0]=4 209 B16R1.18143 CC(C)(COCc1ccccc1)NC(N)=N Amb24571402 [0,1,1,0,0,0|1,0,1]=4 210 B16R1.18143 CC(C)(COCc1ccccc1)NC(N)=O Amb22475049 [0,1,1,0,0,0|0,0,2]=4 211 B16R1.18143 CC(C)(COCc1ccccc1)NC(N)=S Amb25186765 [0,1,1,0,0,0|0,1,1]=4 212 B16R2.3250 NC1CC=CC1COCc2ccccc2 Amb25161781 [1,1,0,0,0,0|2,0,0]=4 213 B16R2.3250 O[C@@H]1CC=C[C@@H]1COCc2ccccc2 Amb25278324 [1,1,0,0,0,0|2,0,0]=4 214 B16R2.3250 O[C@@H]1CC=C[C@H]1COCc2ccccc2 Amb22744765 [1,1,0,0,0,0|2,0,0]=4 215 B16R2.3250 O[C@H]1CC=C[C@@H]1COCc2ccccc2 Amb22274655 [1,1,0,0,0,0|2,0,0]=4 216 B16R2.137 O=C1OC(CO1)COc2ccc(Cl)cc2 Amb22454480 [0,1,0,0,1,0|2,0,0]=4 217 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [0,1,0,0,1,0|1,0,1]=4 218 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb10789058 [0,1,0,0,1,0|1,0,1]=4 219 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb15740915 [0,1,0,0,1,0|1,0,1]=4 220 B18R2.2741 CNc1[n]c(CCOCc2ccccc2)[n]o1 Amb24576261 [0,1,0,0,0,1|1,0,1]=4 221 B18R2.3723 O=C(CC1COC(=O)N1)OCc2ccccc2 Amb24752370 [0,1,0,0,0,1|1,0,1]=4 222 B18R2.3723 O=C(C[C@H]1COC(=O)N1)OCc2ccccc2 Amb24380694 [0,1,0,0,0,1|1,0,1]=4 223 B18R2.3922 NC1C(CCOC1=O)COCc2ccccc2 Amb24688099 [0,1,0,0,0,1|2,0,0]=4 224 B18R2.5600 NCCc1[n]c(COCc2ccccc2)[n]o1 Amb25241297 [0,2,0,0,0,0|1,0,1]=4 225 B18R2.7060 CC(N)c1[n]c(COCc2ccccc2)[n]o1 Amb24595169 [0,2,0,0,0,0|1,0,1]=4 226 B18R2.7060 C[C@@H](N)c1[n]c(COCc2ccccc2)[n]o1 Amb25663207 [0,2,0,0,0,0|1,0,1]=4 227 B18R2.7060 C[C@H](N)c1[n]c(COCc2ccccc2)[n]o1 Amb25258110 [0,2,0,0,0,0|1,0,1]=4 228 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [0,0,0,1,1,0|0,0,0]=2 229 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [0,0,0,1,1,0|0,0,0]=2 230 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [0,0,0,1,1,0|1,0,0]=3 231 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [0,0,0,1,1,0|1,0,1]=4 232 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [0,0,0,1,1,0|1,0,1]=4 233 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [0,0,0,1,1,0|2,0,0]=4 234 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [0,0,0,1,1,0|2,0,0]=4 235 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [0,0,0,1,1,0|2,0,0]=4 236 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,0,1,0,1,0|2,0,0]=4 237 B14R1.716 COC(=O)NCCOc1ccccc1 Amb1014011 [0,0,1,0,1,0|1,0,1]=4 238 B14R1.979 C=CC[C@H](CO)OCc1ccccc1 Amb25723021 [0,0,1,0,1,0|2,0,0]=4 239 B14R1.979 C\C=C\C(CO)OCc1ccccc1 Amb25120071 [0,0,1,0,1,0|2,0,0]=4 240 B14R1.979 NCCC(CO)OCc1ccccc1 Amb25324590 [0,0,1,0,1,0|1,0,1]=4 241 B14R1.979 OC[C@H](CC=O)OCc1ccccc1 Amb25768392 [0,0,1,0,1,0|2,0,0]=4 242 B14R1.818 CC(CC(N)=O)OCc1ccccc1 Amb25249681 [0,0,1,0,1,0|1,0,1]=4 243 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [0,0,1,0,1,0|1,0,1]=4 244 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [0,0,1,0,1,0|0,0,2]=4 245 B14R1.818 C[C@@H](CC(N)=O)OCc1ccccc1 Amb24498301 [0,0,1,0,1,0|1,0,1]=4 246 B14R1.818 C[C@@H](CC(O)=O)OCc1ccccc1 Amb24335959 [0,0,1,0,1,0|2,0,0]=4 247 B14R1.6449 CC(=O)[C@@H](C)COCc1ccccc1 Amb24544010 [0,0,1,0,1,0|1,0,1]=4 248 B14R1.6449 CC(CNCc1ccccc1)C(O)=O Amb20623866 [0,0,1,0,1,0|2,0,0]=4 249 B14R1.6449 CC(NOCc1ccccc1)C(N)=O Amb25689964 [0,0,1,0,1,0|1,0,1]=4 250 B14R1.6449 CC(NOCc1ccccc1)C(O)=O Amb18652109 [0,0,1,0,1,0|2,0,0]=4 251 B14R1.6449 C[C@@H](C(=O)O)COCc1ccccc1 Amb10844261 [0,0,1,0,1,0|1,0,0]=3 252 B14R1.6449 C[C@@H](COCc1ccccc1)C(C)O Amb25734403 [0,0,1,0,1,0|1,0,1]=4 253 B14R1.6449 C[C@@H](COCc1ccccc1)[C@H](C)O Amb25748855 [0,0,1,0,1,0|1,0,1]=4 254 B14R1.6449 C[C@H](C(=O)O)COCc1ccccc1 Amb10844264 [0,0,1,0,1,0|1,0,0]=3 255 B14R1.6449 C[C@H](COCc1ccccc1)[C@@H](C)O Amb25813692 [0,0,1,0,1,0|1,0,1]=4 256 B14R1.6449 NC(=O)C(Cl)COCc1ccccc1 Amb25103271 [0,0,1,0,1,0|1,0,1]=4 257 B14R1.6449 NC(=O)C(N)COCc1ccccc1 Amb25809213 [0,0,1,0,1,0|1,0,1]=4 258 B14R1.6449 N[C@H](COCc1ccccc1)C(O)=O Amb19944297 [0,0,1,0,1,0|2,0,0]=4 259 B14R1.6449 OC(=O)C(Br)COCc1ccccc1 Amb18668071 [0,0,1,0,1,0|2,0,0]=4 260 B14R1.6449 OC(=O)C(Cl)COCc1ccccc1 Amb25734789 [0,0,1,0,1,0|2,0,0]=4 261 B14R1.6449 OC(=O)[C@@H](Cl)COCc1ccccc1 Amb25752794 [0,0,1,0,1,0|2,0,0]=4 262 B14R1.6449 OC(=O)[C@@H](O)COCc1ccccc1 Amb25088415 [0,0,1,0,1,0|2,0,0]=4 263 B14R1.6449 OC(=O)[C@H](Cl)COCc1ccccc1 Amb25309625 [0,0,1,0,1,0|2,0,0]=4 264 B14R1.6449 OC(=O)[C@H](O)COCc1ccccc1 Amb24428781 [0,0,1,0,1,0|2,0,0]=4 265 B14R2.101 C(OC1CC=CC1)c2ccccc2 Amb25786312 [1,0,0,0,1,0|2,0,0]=4 266 B14R2.101 C(Oc1ccccc1)c2[n]oc[n]2 Amb24513802 [1,0,0,0,1,0|1,0,1]=4 267 B14R2.101 C1OCCC1COc2ccccc2 Amb24605530 [1,0,0,0,1,0|1,0,1]=4 268 B14R2.3019 C(OCc1ccccc1)C2CCN2 Amb21959288 [1,0,0,0,1,0|0,0,2]=4 269 B14R2.3019 C(OCc1ccccc1)C2CCN2 Amb22757541 [1,0,0,0,1,0|0,0,2]=4 270 B14R2.3019 C(OCc1ccccc1)C2CCO2 Amb25057666 [1,0,0,0,1,0|1,0,1]=4 271 B14R2.3019 C(OCc1ccccc1)[C@@H]2CCO2 Amb22746826 [1,0,0,0,1,0|1,0,1]=4 272 B14R2.3019 C1NCC1COCc2ccccc2 Amb21959278 [1,0,0,0,1,0|1,0,1]=4 273 B14R2.3019 C1OCC1COCc2ccccc2 Amb22899980 [1,0,0,0,1,0|0,0,1]=3 274 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [0,0,0,0,2,0|1,1,0]=4 275 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,2,0|0,0,0]=2 276 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [0,0,0,0,2,0|1,1,0]=4 277 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [0,0,0,0,2,0|1,1,0]=4 278 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [0,0,0,0,2,0|0,1,0]=3 279 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [0,0,0,0,2,0|1,0,0]=3 280 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [0,0,0,0,2,0|1,0,1]=4 281 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,2,0|0,0,2]=4 282 B14R2.31 NC1CCC1CCc2ccccc2 Amb25757178 [0,0,0,0,2,0|1,0,1]=4 283 B14R2.31 NC1CCC1OCc2ccccc2 Amb25139601 [0,0,0,0,2,0|1,0,1]=4 284 B14R2.31 N[C@H]1CC[C@H]1OCc2ccccc2 Amb25373979 [0,0,0,0,2,0|1,0,1]=4 285 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [0,0,0,0,2,0|2,0,0]=4 286 B14R2.31 O=C1CCC1OCc2ccccc2 Amb22896544 [0,0,0,0,2,0|2,0,0]=4 287 B14R2.31 O=C1CC[C@@H]1OCc2ccccc2 Amb24494962 [0,0,0,0,2,0|2,0,0]=4 288 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [0,0,0,0,2,0|2,0,0]=4 289 B14R2.436 NC1CC(C1)OCc2ccccc2 Amb20242212 [0,0,0,0,2,0|1,0,1]=4 290 B14R2.436 N[C@@H]1C[C@@H](C1)OCc2ccccc2 Amb22746995 [0,0,0,0,2,0|1,0,1]=4 291 B14R2.436 N[C@@H]1C[C@H](C1)OCc2ccccc2 Amb22746997 [0,0,0,0,2,0|1,0,1]=4 292 B14R2.436 N[C@@H]1C[C@H](C1)OCc2ccccc2 Amb22746998 [0,0,0,0,2,0|1,0,1]=4 293 B14R2.436 O=C1CC(C1)OCc2ccccc2 Amb10844904 [0,0,0,0,2,0|2,0,0]=4 294 B14R2.49 FC1CC1COCc2ccccc2 Amb24630466 [0,0,0,0,2,0|1,0,1]=4 295 B16R1.596 NC(=N)CCOCCOCc1ccccc1 Amb25281156 [0,0,1,0,0,1|1,0,0]=3 296 B16R1.596 NC(=O)CCCCNOCc1ccccc1 Amb24751386 [0,0,1,0,0,1|2,0,0]=4 297 B16R1.596 NC(=O)CNCCCOCc1ccccc1 Amb25252621 [0,0,1,0,0,1|2,0,0]=4 298 B16R1.596 NC(=S)CCCCCOCc1ccccc1 Amb25272758 [0,0,1,0,0,1|2,0,0]=4 299 B18R2.270 O=C1OCC(CO1)CCOCc2ccccc2 Amb25838019 [0,0,0,0,0,2|2,0,0]=4