0 B16R2.2832 NC1CN(CCOc2ccccc2)CC1 Amb25387976 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.2832 Nc1c[n](CCOc2ccccc2)[n]c1 Amb20674898 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.2832 Nc1cc[n](CCCc2ccccc2)[n]1 Amb19018439 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2832 Nc1cc[n](CCOc2ccccc2)[n]1 Amb20674786 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.2832 Nc1n[nH]c(c1)CCOc2ccccc2 Amb17237683 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2832 Nc1onc(c1)CCOc2ccccc2 Amb17238019 [0,0,0,0,0,0|2,0,1]=3 6 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.2196 C(COc1ccccc1)c2[nH]cc[n]2 Amb18336892 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.2196 C1CC(CCNc2ccccc2)C=C1 Amb25312051 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.2196 C1CNC(C1)CCOc2ccccc2 Amb17401562 [1,0,0,0,0,0|1,0,2]=4 11 B15R2.2196 C1NCCC1CCOc2ccccc2 Amb21959194 [1,0,0,0,0,0|2,0,1]=4 12 B17R2.212 Cc1[n]c(CCOc2ccc(N)cc2)[n]o1 Amb18866984 [0,1,0,0,0,0|2,0,1]=4 13 B17R2.212 Cc1ccc(cc1)OCCc2csc(n2)N Amb1348585 [0,1,0,0,0,0|0,1,2]=4 14 B17R2.212 Cc1ccc(cc1)OCCc2noc(c2)N Amb17243139 [0,1,0,0,0,0|2,0,1]=4 15 B17R2.212 Clc1ccc(cc1)OCCc2noc(c2)N Amb17254437 [0,1,0,0,0,0|2,0,1]=4 16 B17R2.212 Fc1ccc(cc1)OCCc2csc(n2)N Amb2575397 [0,1,0,0,0,0|0,1,2]=4 17 B17R2.212 Fc1ccc(cc1)OCCc2noc(c2)N Amb17245340 [0,1,0,0,0,0|2,0,1]=4 18 B17R2.212 Nc1cc[n](CCOc2ccc(F)cc2)[n]1 Amb19891283 [0,1,0,0,0,0|2,0,1]=4 19 B17R2.2523 NCc1[n]c(CCOc2ccccc2)[nH][n]1 Amb18226205 [0,1,0,0,0,0|2,0,1]=4 20 B17R2.2523 NCc1csc(n1)CCOc2ccccc2 Amb17318408 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.3348 Cc1cc(N)[n][n]1CCOc2ccccc2 Amb19890542 [0,1,0,0,0,0|2,0,1]=4 22 B17R2.5296 Cc1[n]c(CCOc2cc(N)ccc2)[n]o1 Amb18866985 [0,1,0,0,0,0|2,0,1]=4 23 B17R2.5296 Cc1cccc(c1)OCCc2csc(n2)N Amb17251608 [0,1,0,0,0,0|0,1,2]=4 24 B17R2.5296 Cc1cccc(c1)OCCc2noc(c2)N Amb17243138 [0,1,0,0,0,0|2,0,1]=4 25 B17R2.5296 Clc1cccc(c1)OCCc2csc(n2)N Amb17264145 [0,1,0,0,0,0|0,1,2]=4 26 B17R2.5296 Clc1cccc(c1)OCCc2noc(c2)N Amb17254436 [0,1,0,0,0,0|2,0,1]=4 27 B17R2.5296 Fc1cccc(c1)OCCc2csc(n2)N Amb17254112 [0,1,0,0,0,0|0,1,2]=4 28 B17R2.5296 Fc1cccc(c1)OCCc2noc(c2)N Amb17245339 [0,1,0,0,0,0|2,0,1]=4 29 B17R2.5296 Nc1cc[n](CCOc2cccc(Cl)c2)[n]1 Amb19890807 [0,1,0,0,0,0|2,0,1]=4 30 B17R2.18638 Cc1[n]c(CCOc2ccccc2N)[n]o1 Amb18866986 [0,1,0,0,0,0|2,0,1]=4 31 B17R2.18638 Nc1onc(c1)CCOc2ccccc2C Amb17243137 [0,1,0,0,0,0|2,0,1]=4 32 B17R2.18638 Nc1onc(c1)CCOc2ccccc2Cl Amb17254435 [0,1,0,0,0,0|2,0,1]=4 33 B17R2.18638 Nc1onc(c1)CCOc2ccccc2F Amb17245338 [0,1,0,0,0,0|2,0,1]=4 34 B17R2.18638 Nc1scc(n1)CCOc2ccccc2C Amb17251606 [0,1,0,0,0,0|0,1,2]=4 35 B17R2.18638 Nc1scc(n1)CCOc2ccccc2Cl Amb17264143 [0,1,0,0,0,0|0,1,2]=4 36 B17R2.18638 Nc1scc(n1)CCOc2ccccc2F Amb17254109 [0,1,0,0,0,0|0,1,2]=4 37 B15R1.504 NC(=N)CCCCOCc1ccccc1 Amb25214522 [0,0,1,0,0,0|3,0,0]=4 38 B15R1.504 NC(=N)NCCCCCc1ccccc1 Amb19320760 [0,0,1,0,0,0|2,0,0]=3 39 B15R1.504 NC(=N)NNCCCOc1ccccc1 Amb22447686 [0,0,1,0,0,0|2,0,0]=3 40 B15R1.504 NC(=N)SCCCOCc1ccccc1 Amb25802156 [0,0,1,0,0,0|2,1,0]=4 41 B15R1.504 NC(=O)CCSCCOc1ccccc1 Amb20749725 [0,0,1,0,0,0|3,0,0]=4 42 B15R1.504 NC(=O)OCCCNCc1ccccc1 Amb25087951 [0,0,1,0,0,0|3,0,0]=4 43 B15R1.504 OC(=O)CCCCCOc1ccccc1 Amb21935952 [0,0,1,0,0,0|3,0,0]=4 44 B15R1.962 CCC(=O)NCCCOc1ccccc1 Amb2553294 [0,0,1,0,0,0|2,0,1]=4 45 B15R1.962 COC(=O)NOCCOc1ccccc1 Amb16793706 [0,0,1,0,0,0|2,0,1]=4 46 B15R1.9084 CN(CC(=O)N)CCOc1ccccc1 Amb15851820 [0,0,1,0,0,0|2,0,1]=4 47 B15R2.283 Cc1[n]c(COc2ccccc2)[n]o1 Amb25708048 [0,0,0,0,1,0|2,0,1]=4 48 B15R2.283 Clc1[n]c(COc2ccccc2)[n]o1 Amb24681945 [0,0,0,0,1,0|2,0,1]=4 49 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [0,0,0,0,1,0|1,1,0]=3 50 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [0,0,0,0,1,0|0,0,0]=1 51 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [0,0,0,0,1,0|1,0,0]=2 52 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [0,0,0,0,1,0|2,0,0]=3 53 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [0,0,0,0,1,0|2,1,0]=4 54 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [0,0,0,0,1,0|2,1,0]=4 55 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [0,0,0,0,1,0|1,0,0]=2 56 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [0,0,0,0,1,0|1,1,0]=3 57 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [0,0,0,0,1,0|2,0,1]=4 58 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [0,0,0,0,1,0|2,0,1]=4 59 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [0,0,0,0,1,0|3,0,0]=4 60 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [0,0,0,0,1,0|2,0,1]=4 61 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [0,0,0,0,1,0|2,0,1]=4 62 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [0,0,0,0,1,0|1,1,1]=4 63 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [0,0,0,0,1,0|1,0,1]=3 64 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [0,0,0,0,1,0|0,1,2]=4 65 B15R2.283 Nc1[n]c(COc2ccccc2)[n][s]1 Amb18300287 [0,0,0,0,1,0|1,1,1]=4 66 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [0,0,0,0,1,0|1,0,1]=3 67 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [0,0,0,0,1,0|2,0,1]=4 68 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [0,0,0,0,1,0|3,0,0]=4 69 B15R2.283 Nc1c[s]c(COc2ccccc2)[n]1 Amb24714434 [0,0,0,0,1,0|2,0,1]=4 70 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [0,0,0,0,1,0|2,0,1]=4 71 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [0,0,0,0,1,0|2,0,1]=4 72 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [0,0,0,0,1,0|0,1,2]=4 73 B15R2.283 Nc1onc(c1)COc2ccccc2 Amb17234868 [0,0,0,0,1,0|2,0,1]=4 74 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [0,0,0,0,1,0|0,1,2]=4 75 B15R2.283 Nc1scc(n1)COc2ccccc2 Amb1106879 [0,0,0,0,1,0|0,1,2]=4 76 B15R2.283 O=C1CC(CN1)COc2ccccc2 Amb25665268 [0,0,0,0,1,0|3,0,0]=4 77 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,0,1,0|3,0,0]=4 78 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,0,1,0|3,0,0]=4 79 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,1,0|1,0,1]=3 80 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [0,0,0,0,1,0|2,0,1]=4 81 B15R2.283 O=C1NC[C@@H](COc2ccccc2)O1 Amb25315100 [0,0,0,0,1,0|3,0,0]=4 82 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [0,0,0,0,1,0|1,0,1]=3 83 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [0,0,0,0,1,0|2,0,0]=3 84 B15R2.283 S=C1OC(CS1)COc2ccccc2 Amb22450310 [0,0,0,0,1,0|2,1,0]=4 85 B15R2.283 S=C1SC(CS1)COc2ccccc2 Amb22486691 [0,0,0,0,1,0|2,1,0]=4 86 B17R2.216 Nc1cnc(nc1)CCOc2ccccc2 Amb17486619 [0,0,0,0,0,1|2,0,1]=4 87 B17R2.3230 NC1CC(CC1)CCOCc2ccccc2 Amb24591935 [0,0,0,0,0,1|2,0,1]=4 88 B17R2.3230 Nc1[n]c(CCOCc2ccccc2)[n][s]1 Amb24552681 [0,0,0,0,0,1|1,1,1]=4 89 B17R2.3230 Nc1cc[n](CCCOc2ccccc2)[n]1 Amb19890891 [0,0,0,0,0,1|2,0,1]=4 90 B17R2.3230 Nc1cc[n](CCOCc2ccccc2)[n]1 Amb25859539 [0,0,0,0,0,1|2,0,1]=4 91 B17R2.3230 O=C1CC(CCOCc2ccccc2)CC1 Amb24677288 [0,0,0,0,0,1|3,0,0]=4 92 B17R2.3230 Sc1[n]c(CCOCc2ccccc2)[n]o1 Amb24709576 [0,0,0,0,0,1|2,0,1]=4 93 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [1,0,1,0,0,0|2,0,0]=4 94 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|2,0,0]=4 95 B16R1.609 NC(=N)NCCCCN(c1ccccc1)C Amb15764697 [0,1,1,0,0,0|2,0,0]=4 96 B16R1.7 CN\C(\N)=N\CCCOc1ccc(F)cc1 Amb24222435 [0,1,1,0,0,0|1,0,0]=3 97 B16R1.932 COCC(=O)NCCCOc1ccccc1 Amb20786119 [0,1,1,0,0,0|1,0,1]=4 98 B16R2.137 O=C1OC(CO1)COc2ccc(Cl)cc2 Amb22454480 [0,1,0,0,1,0|2,0,0]=4 99 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [0,1,0,0,1,0|1,0,1]=4 100 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb10789058 [0,1,0,0,1,0|1,0,1]=4 101 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb15740915 [0,1,0,0,1,0|1,0,1]=4 102 B18R2.2741 CNc1[n]c(CCOCc2ccccc2)[n]o1 Amb24576261 [0,1,0,0,0,1|1,0,1]=4 103 B16R2.170412 C\N=C(\N)/NC1CCOc2ccccc21 Amb24772804 [0,0,1,1,0,0|1,0,1]=4 104 B16R2.1337 OC(=O)CC1Cc2ccccc2OCC1 Amb18781340 [0,0,1,1,0,0|2,0,0]=4 105 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [0,0,0,1,1,0|0,0,0]=2 106 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [0,0,0,1,1,0|0,0,0]=2 107 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [0,0,0,1,1,0|1,0,0]=3 108 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [0,0,0,1,1,0|1,0,1]=4 109 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [0,0,0,1,1,0|1,0,1]=4 110 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [0,0,0,1,1,0|2,0,0]=4 111 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [0,0,0,1,1,0|2,0,0]=4 112 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [0,0,0,1,1,0|2,0,0]=4 113 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,0,1,0,1,0|1,0,0]=3 114 B14R1.716 COC(=O)NCCOc1ccccc1 Amb1014011 [0,0,1,0,1,0|1,0,1]=4 115 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [0,0,1,0,1,0|1,0,1]=4 116 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [0,0,1,0,1,0|0,0,2]=4 117 B14R1.6449 CC(C(=O)O)CCOc1ccccc1 Amb17235913 [0,0,1,0,1,0|1,0,0]=3 118 B14R2.101 C(Oc1ccccc1)c2[n]oc[n]2 Amb24513802 [1,0,0,0,1,0|1,0,1]=4 119 B14R2.101 C1OCCC1COc2ccccc2 Amb24605530 [1,0,0,0,1,0|1,0,1]=4 120 B14R2.3019 C1CCC1CCOc2ccccc2 Amb23510297 [1,0,0,0,1,0|1,0,1]=4 121 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [0,0,0,0,2,0|1,1,0]=4 122 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,2,0|0,0,0]=2 123 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [0,0,0,0,2,0|1,1,0]=4 124 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [0,0,0,0,2,0|1,1,0]=4 125 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [0,0,0,0,2,0|0,1,0]=3 126 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [0,0,0,0,2,0|1,0,0]=3 127 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [0,0,0,0,2,0|1,0,1]=4 128 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,2,0|0,0,2]=4 129 B14R2.31 NC1CCC1CCc2ccccc2 Amb25757178 [0,0,0,0,2,0|1,0,1]=4 130 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [0,0,0,0,2,0|2,0,0]=4 131 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [0,0,0,0,2,0|2,0,0]=4 132 B16R1.596 NC(=N)CCOCCOCc1ccccc1 Amb25281156 [0,0,1,0,0,1|2,0,0]=4 133 B16R1.596 NC(=S)CCCCCOCc1ccccc1 Amb25272758 [0,0,1,0,0,1|2,0,0]=4 134 B18R2.270 O=C1OCC(CO1)CCOCc2ccccc2 Amb25838019 [0,0,0,0,0,2|2,0,0]=4