0 B16R2.258 Brc1cccc(c1)CCc2noc(c2)N Amb17272557 [0,0,0,0,0,0|2,1,1]=4 1 B16R2.258 Cc1[n]c(CCc2cc(Br)ccc2)[n]o1 Amb18884753 [0,0,0,0,0,0|2,1,1]=4 2 B16R2.258 Cc1[n]c(CCc2cc(N)ccc2)[n]o1 Amb18864792 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.258 Cc1[n]c(COc2cccc(Cl)c2)[n]o1 Amb19342625 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.258 Cc1cc(CCc2[n][s]c(N)[n]2)ccc1 Amb22395088 [0,0,0,0,0,0|2,1,1]=4 5 B16R2.258 Cc1cccc(c1)CCc2csc(n2)N Amb17243353 [0,0,0,0,0,0|1,1,2]=4 6 B16R2.258 Cc1cccc(c1)CCc2noc(c2)N Amb17237459 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.258 Clc1cccc(c1)CCc2[nH]nc(c2)N Amb17245293 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.258 Clc1cccc(c1)CCc2csc(n2)N Amb17254503 [0,0,0,0,0,0|0,1,2]=3 9 B16R2.258 Clc1cccc(c1)CCc2nnc(o2)N Amb17064352 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.258 Clc1cccc(c1)CCc2noc(c2)N Amb17245902 [0,0,0,0,0,0|2,0,1]=3 11 B16R2.258 Clc1cccc(c1)CSc2nsc(n2)N Amb17072833 [0,0,0,0,0,0|2,1,1]=4 12 B16R2.258 Clc1cccc(c1)OCc2noc(c2)N Amb17246728 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.258 NC1CCN(C1)CCc2cccc(c2)Cl Amb17472065 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.258 Nc1[n][n]c(CCc2cc(Cl)ccc2)[s]1 Amb22395061 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.258 Nc1[n]c(CCc2cc(Br)ccc2)[n][s]1 Amb22395106 [0,0,0,0,0,0|1,2,1]=4 16 B16R2.258 Nc1[n]c(CCc2cc(Cl)ccc2)[n][s]1 Amb22395062 [0,0,0,0,0,0|1,1,1]=3 17 B16R2.258 Nc1[n]c(CNc2cccc(Cl)c2)c[s]1 Amb18228786 [0,0,0,0,0,0|1,1,2]=4 18 B16R2.258 Nc1[n]c(CSc2cccc(Cl)c2)c[s]1 Amb18073462 [0,0,0,0,0,0|1,1,2]=4 19 B16R2.258 Nc1c[n]c(CCc2cc(Cl)ccc2)o1 Amb18069301 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [1,0,0,0,0,0|1,1,0]=3 21 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [1,0,0,0,0,0|0,0,0]=1 22 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [1,0,0,0,0,0|1,0,0]=2 23 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [1,0,0,0,0,0|3,0,0]=4 25 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [1,0,0,0,0,0|1,0,0]=2 27 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [1,0,0,0,0,0|1,1,0]=3 28 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [1,0,0,0,0,0|2,0,1]=4 29 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [1,0,0,0,0,0|2,0,1]=4 30 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [1,0,0,0,0,0|1,1,1]=4 34 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [1,0,0,0,0,0|1,0,1]=3 35 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [1,0,0,0,0,0|0,1,2]=4 36 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [1,0,0,0,0,0|2,0,1]=4 37 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [1,0,0,0,0,0|2,0,1]=4 40 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [1,0,0,0,0,0|2,0,1]=4 41 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [1,0,0,0,0,0|0,1,2]=4 42 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [1,0,0,0,0,0|0,1,2]=4 43 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [1,0,0,0,0,0|3,0,0]=4 44 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [1,0,0,0,0,0|3,0,0]=4 45 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [1,0,0,0,0,0|1,0,1]=3 46 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [1,0,0,0,0,0|2,0,1]=4 47 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [1,0,0,0,0,0|1,0,1]=3 48 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [1,0,0,0,0,0|3,0,0]=4 49 B15R2.1117 Clc1cc(CCc2c[nH]c[n]2)ccc1 Amb25252953 [1,0,0,0,0,0|1,0,2]=4 50 B15R2.1117 Clc1cc(ccc1)OCC2COCC2 Amb25037581 [1,0,0,0,0,0|2,0,1]=4 51 B15R2.1117 Clc1cc(ccc1)OCc2[n]co[n]2 Amb24684758 [1,0,0,0,0,0|2,0,1]=4 52 B15R2.1117 Clc1cccc(c1)CCC2CCCN2 Amb17240496 [1,0,0,0,0,0|1,0,2]=4 53 B17R2.2522 NCc1[n][nH]c(CCc2cc(Cl)ccc2)[n]1 Amb18228557 [0,1,0,0,0,0|2,0,1]=4 54 B17R2.2522 NCc1onc(n1)COc2cccc(c2)Cl Amb17105049 [0,1,0,0,0,0|2,0,1]=4 55 B17R2.2522 NCc1scc(n1)CCc2cccc(c2)Cl Amb17263075 [0,1,0,0,0,0|0,1,2]=4 56 B17R2.18661 Nc1[n]c(CCc2cc(Cl)c(Cl)cc2)[n][s]1 Amb22395072 [0,1,0,0,0,0|1,1,1]=4 57 B17R2.18661 Nc1[n]c(CCc2cc(Cl)c(F)cc2)[n][s]1 Amb22395108 [0,1,0,0,0,0|1,1,1]=4 58 B15R1.942 CCC(=O)CCCCc1cccc(c1)Cl Amb17246784 [0,0,1,0,0,0|3,0,0]=4 59 B15R1.8263 CN(CC(=O)O)CCc1cccc(c1)Cl Amb17343969 [0,0,1,0,0,0|3,0,0]=4 60 B15R2.1115 Cc1cc(CC2COC(N)=N2)ccc1 Amb24342877 [0,0,0,0,1,0|1,0,0]=2 61 B15R2.1115 Cc1cc(C[C@H]2COC(N)=N2)ccc1 Amb25077288 [0,0,0,0,1,0|1,0,0]=2 62 B15R2.1115 Cc1cc(Cc2[n]oc(N)[n]2)ccc1 Amb18961699 [0,0,0,0,1,0|2,0,1]=4 63 B15R2.1115 Clc1cc(Cc2[n]oc(Cl)[n]2)ccc1 Amb24731358 [0,0,0,0,1,0|2,0,1]=4 64 B15R2.1115 Clc1cccc(c1)Cc2noc(c2)N Amb17240111 [0,0,0,0,1,0|2,0,1]=4 65 B15R2.1115 Clc1cccc(c1)Cn2ccc(n2)N Amb1945960 [0,0,0,0,1,0|2,0,1]=4 66 B15R2.1115 Clc1cccc(c1)Cn2cnc(n2)N Amb1946000 [0,0,0,0,1,0|2,0,1]=4 67 B15R2.1115 NC1=NC(Cc2cc[n]c(O)c2)CS1 Amb24592656 [0,0,0,0,1,0|2,1,0]=4 68 B15R2.1115 NC1=N[C@@H](Cc2cccc(Cl)c2)CO1 Amb24547023 [0,0,0,0,1,0|0,0,0]=1 69 B15R2.1115 NC1=N[C@@H](Cc2cccc(F)c2)CO1 Amb25250688 [0,0,0,0,1,0|0,1,0]=2 70 B15R2.1115 NC1CC(CC1)Cc2cc(Cl)ccc2 Amb25181174 [0,0,0,0,1,0|2,0,1]=4 71 B15R2.1115 NC=1CCN(Cc2cccc(F)c2)N1 Amb25797791 [0,0,0,0,1,0|2,1,0]=4 72 B15R2.1115 NC=1CCN(Cc2cccc(O)c2)N1 Amb18650873 [0,0,0,0,1,0|3,0,0]=4 73 B15R2.1115 Nc1[n][s]c(Cc2cc(Cl)ccc2)[n]1 Amb18759557 [0,0,0,0,1,0|2,0,1]=4 74 B15R2.1115 Nc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb18961689 [0,0,0,0,1,0|1,0,1]=3 75 B15R2.1115 Nc1[n]c(Cc2cc(F)ccc2)[n]o1 Amb18961695 [0,0,0,0,1,0|1,1,1]=4 76 B15R2.1115 Nc1[n]oc(Cc2cc(Cl)ccc2)[n]1 Amb18774635 [0,0,0,0,1,0|2,0,1]=4 77 B15R2.1115 Nc1c[s]c(Cc2cc(Cl)ccc2)[n]1 Amb25712356 [0,0,0,0,1,0|2,0,1]=4 78 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CO1 Amb24450058 [0,0,0,0,1,0|2,1,0]=4 79 B15R2.1115 O=C1NCC(Cc2cccc(Cl)c2)O1 Amb25103692 [0,0,0,0,1,0|3,0,0]=4 80 B15R2.1115 Sc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb25764841 [0,0,0,0,1,0|2,0,1]=4 81 B15R2.15418 O=C1CC(C1)OCc2cccc(Cl)c2 Amb25106163 [0,0,0,0,1,0|3,0,0]=4 82 B17R2.215 Nc1c[n]c(CCc2cc(Cl)ccc2)[n]c1 Amb18070830 [0,0,0,0,0,1|2,0,1]=4 83 B17R2.5296 Clc1cccc(c1)OCCc2csc(n2)N Amb17264145 [0,0,0,0,0,1|0,1,2]=4 84 B17R2.5296 Clc1cccc(c1)OCCc2noc(c2)N Amb17254436 [0,0,0,0,0,1|2,0,1]=4 85 B17R2.5296 Nc1cc[n](CCOc2cccc(Cl)c2)[n]1 Amb19890807 [0,0,0,0,0,1|2,0,1]=4 86 B17R2.5296 O=C1NCC(CSCc2cccc(Cl)c2)O1 Amb19505266 [0,0,0,0,0,1|3,0,0]=4 87 B17R2.5300 Nc1cc[n]c(CCc2cc(Cl)ccc2)[n]1 Amb18070824 [0,0,0,0,0,1|1,0,2]=4 88 B14R1.422 NC(=N)NCCNCc1ccccc1 Amb24415456 [1,0,1,0,0,0|2,0,0]=4 89 B14R1.422 NC(=N)NNCCCc1ccccc1 Amb24064219 [1,0,1,0,0,0|2,0,0]=4 90 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|1,1,0]=4 91 B14R1.422 NC(=N)SCCOCc1ccccc1 Amb24377364 [1,0,1,0,0,0|1,1,0]=4 92 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [1,0,1,0,0,0|1,0,1]=4 93 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [1,0,1,0,0,0|0,0,2]=4 94 B16R1.539 CNC(NC)=NCCCc1cccc(Cl)c1 Amb24222295 [0,1,1,0,0,0|1,0,0]=3 95 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [1,1,0,0,0,0|1,0,1]=4 96 B16R2.253 Clc1cccc(CC(Cl)C2COCC2)c1 Amb25773518 [1,1,0,0,0,0|1,0,1]=4 97 B16R2.1163 CN\C(\N)=N\[C@@H]1C[C@H]1c2cc(Cl)ccc2 Amb25607557 [0,0,1,1,0,0|1,0,0]=3 98 B16R2.1163 CN\C(\N)=N\[C@@H]1C[C@H]1c2cc(F)ccc2 Amb24946024 [0,0,1,1,0,0|1,1,0]=4 99 B16R2.33901 COC(=O)N1CCCc2cc(Cl)ccc12 Amb18867630 [0,0,1,1,0,0|1,0,1]=4 100 B16R2.176317 CN\C(\N)=N\C1COc2cccc(Cl)c21 Amb25541869 [0,0,1,1,0,0|2,0,0]=4 101 B16R2.11879 NC(=N)N[C@@H]1C[C@H](C1)c2cc(Cl)ccc2 Amb25608089 [0,0,1,1,0,0|1,0,1]=4 102 B16R2.12529 OC(=O)CC1(C)CCc2c1ccc(c2)Cl Amb17472061 [0,0,1,1,0,0|2,0,0]=4 103 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [1,0,0,1,0,0|0,0,0]=2 104 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [1,0,0,1,0,0|0,0,0]=2 105 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [1,0,0,1,0,0|1,0,0]=3 106 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [1,0,0,1,0,0|1,0,1]=4 107 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [1,0,0,1,0,0|1,0,1]=4 108 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [1,0,0,1,0,0|2,0,0]=4 109 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [1,0,0,1,0,0|2,0,0]=4 110 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [1,0,0,1,0,0|2,0,0]=4 111 B14R1.5956 CC(CCc1cccc(F)c1)C(O)=O Amb19337858 [0,0,1,0,1,0|1,1,0]=4 112 B14R1.5956 NC(=O)C(COc1cccc(c1)Cl)C Amb17241551 [0,0,1,0,1,0|1,0,1]=4 113 B14R1.5956 NC(=O)C(SCc1cccc(c1)Cl)C Amb11298961 [0,0,1,0,1,0|1,0,1]=4 114 B14R1.5956 OC(=O)C(CCc1cccc(c1)Br)C Amb17265517 [0,0,1,0,1,0|1,1,0]=4 115 B14R1.5956 OC(=O)C(CCc1cccc(c1)C)C Amb17235379 [0,0,1,0,1,0|2,0,0]=4 116 B14R1.5956 OC(=O)C(CCc1cccc(c1)Cl)C Amb17241242 [0,0,1,0,1,0|1,0,0]=3 117 B14R1.5956 OC(=O)C(CCc1cccc(c1)Cl)N Amb17471481 [0,0,1,0,1,0|2,0,0]=4 118 B14R1.5956 OC(=O)C(CCc1cccc(c1)O)C Amb17336810 [0,0,1,0,1,0|2,0,0]=4 119 B14R1.5956 OC(=O)C(NCc1cccc(c1)Cl)C Amb1111448 [0,0,1,0,1,0|2,0,0]=4 120 B14R1.5978 CC(Cc1cccc(Cl)c1)NC(N)=O Amb24753672 [0,0,1,0,1,0|0,0,2]=4 121 B14R1.5978 CC(Cc1cccc(c1)Cl)CC(=O)O Amb17241247 [0,0,1,0,1,0|2,0,0]=4 122 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [1,0,0,0,1,0|1,1,0]=4 123 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [1,0,0,0,1,0|0,0,0]=2 124 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [1,0,0,0,1,0|1,1,0]=4 125 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [1,0,0,0,1,0|1,1,0]=4 126 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [1,0,0,0,1,0|0,1,0]=3 127 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [1,0,0,0,1,0|2,0,0]=4 128 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [1,0,0,0,1,0|1,0,1]=4 129 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [1,0,0,0,1,0|0,0,2]=4 130 B14R2.31 NC1CCC1CCc2ccccc2 Amb25757178 [1,0,0,0,1,0|1,0,1]=4 131 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [1,0,0,0,1,0|2,0,0]=4 132 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [1,0,0,0,1,0|2,0,0]=4 133 B14R2.4475 Clc1cc(CNC2COC2)ccc1 Amb19893295 [1,0,0,0,1,0|1,0,1]=4 134 B14R2.4475 Clc1cc(ccc1)SCC2COC2 Amb25163556 [1,0,0,0,1,0|1,0,1]=4 135 B14R2.268 NC1CC1COc2cccc(Cl)c2 Amb24533299 [0,0,0,0,2,0|1,0,1]=4 136 B14R2.270 NC1CCC1Cc2cc(Cl)ccc2 Amb25118105 [0,0,0,0,2,0|1,0,1]=4 137 B14R2.22 Cc1cc(ccc1)C2COC(N)=N2 Amb25280634 [0,0,0,0,2,0|1,0,0]=3 138 B14R2.22 Clc1cccc(c1)c2noc(n2)N Amb17236308 [0,0,0,0,2,0|1,0,1]=4 139 B14R2.22 NC1=NC(CO1)c2cc(Br)c[n]c2 Amb24576432 [0,0,0,0,2,0|1,1,0]=4 140 B14R2.22 NC1=NC(CO1)c2cccc(Br)c2 Amb24618055 [0,0,0,0,2,0|0,1,0]=3 141 B14R2.22 NC1=NC(CO1)c2cccc(Cl)c2 Amb25670116 [0,0,0,0,2,0|0,0,0]=2 142 B14R2.22 NC1=NC(CO1)c2cccc(I)c2 Amb25294970 [0,0,0,0,2,0|0,1,0]=3 143 B14R2.22 NC1=NC(CO1)c2cccc(O)c2 Amb25354397 [0,0,0,0,2,0|1,0,0]=3 144 B14R2.22 NC1=N[C@H](CO1)c2cccc(Cl)c2 Amb24658428 [0,0,0,0,2,0|0,0,0]=2 145 B14R2.22 NC1=N[C@H](CO1)c2cccc(F)c2 Amb25180742 [0,0,0,0,2,0|0,1,0]=3 146 B14R2.22 NC=1CCN(N1)c2cccc(Cl)c2 Amb24105111 [0,0,0,0,2,0|2,0,0]=4 147 B14R2.22 NC=1NC(CN1)c2cccc(Cl)c2 Amb25335231 [0,0,0,0,2,0|1,0,1]=4 148 B14R2.22 NC=1NCC(N1)c2cccc(O)c2 Amb24085156 [0,0,0,0,2,0|2,0,0]=4 149 B14R2.22 Nc1[n]c(co1)-c2cc(Cl)ccc2 Amb18279630 [0,0,0,0,2,0|0,0,2]=4 150 B14R2.22 Nc1cc(ccc1)C2CSC(N)=N2 Amb25785040 [0,0,0,0,2,0|1,1,0]=4 151 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [1,0,0,0,0,1|1,0,1]=4 152 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [1,0,0,0,0,1|2,0,0]=4