0 B16R2.258 Cc1cccc(NCc2csc(N)n2)c1 Amb18225813 [0,0,0,0,0,0|1,1,2]=4 1 B16R2.258 Cc1csc(CNc2cccc(Cl)c2)n1 Amb17347940 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.258 Cc1nc(CNc2cccc(Cl)n2)no1 Amb27264319 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.258 Cc1nc(CNc2ccnc(Cl)c2)no1 Amb27944231 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.258 Nc1cc(CCc2cccc(Cl)c2)no1 Amb17245902 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.258 Nc1cc(COc2cccc(Cl)c2)no1 Amb17246728 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.258 Nc1nc(CCc2cccc(Cl)c2)cs1 Amb17254503 [0,0,0,0,0,0|1,1,2]=4 7 B16R2.258 Nc1nc(CNc2cccc(Cl)c2)cs1 Amb18228786 [0,0,0,0,0,0|0,1,2]=3 8 B16R2.258 Nc1nc(CNc2cccc(F)c2)cs1 Amb18867308 [0,0,0,0,0,0|0,2,2]=4 9 B16R2.258 Nc1nc(COc2cccc(Cl)c2)cs1 Amb8830581 [0,0,0,0,0,0|1,1,2]=4 10 B16R2.258 Nc1nc(CSc2cccc(Cl)c2)cs1 Amb18073462 [0,0,0,0,0,0|1,1,2]=4 11 B16R2.258 O=C1CC(CNc2cccc(Cl)n2)CN1 Amb27618829 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.258 O=C1CCC(CNc2cccc(Cl)n2)N1 Amb27215874 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.258 O=C1NC(CCc2cccc(Br)c2)CO1 Amb33433767 [0,0,0,0,0,0|2,1,1]=4 14 B15R2.283 NC1=NC(CSc2ccccc2)CO1 Amb27784910 [1,0,0,0,0,0|1,0,0]=2 15 B15R2.283 NC1=NCC(CCc2ccccc2)O1 Amb27746954 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.283 NC1=NCC(CSc2ccccc2)O1 Amb17595588 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.283 NC1=N[C@@H](CCc2ccccc2)CO1 Amb27969242 [1,0,0,0,0,0|1,0,0]=2 18 B15R2.283 NC1=N[C@H](CCc2ccccc2)CO1 Amb27879567 [1,0,0,0,0,0|1,0,0]=2 19 B15R2.283 NC1=N[C@H](CCc2ccccn2)CS1 Amb27950924 [1,0,0,0,0,0|2,1,0]=4 20 B15R2.283 NC1=N[C@H](CCc2cccnc2)CS1 Amb27868556 [1,0,0,0,0,0|2,1,0]=4 21 B15R2.283 NC1=N[C@H](COc2ccccc2)CO1 Amb27464440 [1,0,0,0,0,0|1,0,0]=2 22 B15R2.283 Nc1nc(CNc2ccccc2)cs1 Amb18865210 [1,0,0,0,0,0|0,1,2]=4 23 B15R2.283 Nc1nc(COc2ccccc2)no1 Amb18995138 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [1,0,0,0,0,0|2,0,0]=3 27 B15R2.283 S=C1NC(CCc2ccccc2)CO1 Amb28241411 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.1117 Brc1cccc(NCC2CC=CC2)c1 Amb35609789 [1,0,0,0,0,0|2,1,0]=4 29 B15R2.1117 Brc1cccc(NCc2cocn2)c1 Amb27765303 [1,0,0,0,0,0|0,1,2]=4 30 B15R2.1117 Cc1cccc(NCC2CC=CC2)c1 Amb35609799 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.1117 Clc1cc(NCC2CCOC2)ccn1 Amb27612645 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.1117 Clc1cc(NCc2ncon2)ccn1 Amb27773109 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.1117 Clc1cccc(CCC2CC=CC2)c1 Amb35644880 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.1117 Clc1cccc(NCC2CC=CC2)c1 Amb35609783 [1,0,0,0,0,0|2,0,0]=3 35 B15R2.1117 Clc1cccc(NCC2CCCC2)c1 Amb17240490 [1,0,0,0,0,0|2,0,1]=4 36 B15R2.1117 Clc1cccc(NCC2CCCN2)c1 Amb17240797 [1,0,0,0,0,0|1,0,2]=4 37 B15R2.1117 Clc1cccc(NCc2nccs2)c1 Amb17343195 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.1117 Clc1cccc(NCc2ncno2)c1 Amb18290401 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.1117 Clc1cccc(NCc2ncon2)n1 Amb27824424 [1,0,0,0,0,0|2,0,1]=4 40 B15R2.1117 Clc1cccc(OCC2CC=CC2)c1 Amb35629202 [1,0,0,0,0,0|3,0,0]=4 41 B15R2.1117 Clc1cncc(NCC2CC=CC2)c1 Amb30032895 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.1117 Clc1cncc(NCC2CCOC2)c1 Amb35676276 [1,0,0,0,0,0|2,0,1]=4 43 B15R2.1117 Clc1cncc(NCc2cocn2)c1 Amb35732513 [1,0,0,0,0,0|1,0,2]=4 44 B15R2.1117 Fc1cccc(NCC2CC=CC2)c1 Amb35609804 [1,0,0,0,0,0|2,1,0]=4 45 B15R2.1117 Ic1cccc(NCC2CC=CC2)c1 Amb35609792 [1,0,0,0,0,0|2,1,0]=4 46 B15R2.1117 Ic1cccc(NCC2CCOC2)c1 Amb9208171 [1,0,0,0,0,0|1,1,1]=4 47 B15R2.1117 Nc1cccc(NCc2cocn2)c1 Amb27216919 [1,0,0,0,0,0|1,0,2]=4 48 B17R2.2522 NCc1nc(COc2cccc(Cl)c2)no1 Amb17105049 [0,1,0,0,0,0|2,0,1]=4 49 B17R2.18656 Cc1ccc(Cl)cc1NCc2csc(N)n2 Amb18229878 [0,1,0,0,0,0|0,1,2]=4 50 B17R2.18656 Nc1nc(CNc2cc(Cl)ccc2Cl)cs1 Amb18886849 [0,1,0,0,0,0|0,1,2]=4 51 B17R2.18661 Cc1ccc(NCc2csc(N)n2)cc1Cl Amb18878029 [0,1,0,0,0,0|0,1,2]=4 52 B17R2.18661 Nc1nc(CNc2ccc(Cl)c(Cl)c2)cs1 Amb18886847 [0,1,0,0,0,0|0,1,2]=4 53 B17R2.18661 Nc1nc(CNc2ccc(F)c(Cl)c2)cs1 Amb18230039 [0,1,0,0,0,0|0,1,2]=4 54 B17R2.18663 Cc1c(Cl)cccc1NCc2csc(N)n2 Amb18878028 [0,1,0,0,0,0|0,1,2]=4 55 B17R2.18663 Nc1nc(CNc2cccc(Cl)c2Cl)cs1 Amb18886852 [0,1,0,0,0,0|0,1,2]=4 56 B17R2.146458 Nc1nc(CNc2cc(Cl)cc(Cl)c2)cs1 Amb18886850 [0,1,0,0,0,0|0,1,2]=4 57 B15R2.1115 CC1CC(Nc2cccc(Cl)c2)CO1 Amb35728980 [0,0,0,0,1,0|2,0,1]=4 58 B15R2.1115 Cc1cccc(CN2CCC(N)=N2)c1 Amb27772166 [0,0,0,0,1,0|3,0,0]=4 59 B15R2.1115 NC1=NC(Cc2cccc(Cl)c2)CO1 Amb27856140 [0,0,0,0,1,0|0,0,0]=1 60 B15R2.1115 NC1=NC(Cc2cccc(F)c2)CO1 Amb27174275 [0,0,0,0,1,0|0,1,0]=2 61 B15R2.1115 Nc1cc(Cc2cccc(Cl)c2)no1 Amb17240111 [0,0,0,0,1,0|2,0,1]=4 62 B15R2.1115 Nc1ccn(Cc2cccc(Cl)c2)n1 Amb33534852 [0,0,0,0,1,0|2,0,1]=4 63 B15R2.1115 Nc1cnn(Cc2cccc(Cl)c2)n1 Amb18776409 [0,0,0,0,1,0|3,0,0]=4 64 B15R2.1115 Nc1nc(Cc2cccc(Br)c2)no1 Amb28203123 [0,0,0,0,1,0|1,1,1]=4 65 B15R2.1115 Nc1nc(Cc2cccc(Cl)c2)cs1 Amb8887725 [0,0,0,0,1,0|0,1,2]=4 66 B15R2.1115 Nc1ncn(Cc2cccc(Cl)c2)n1 Amb1946000 [0,0,0,0,1,0|2,0,1]=4 67 B15R2.1115 Nc1ncn(Cc2cccc(Cl)c2)n1 Amb32427975 [0,0,0,0,1,0|2,0,1]=4 68 B15R2.1115 O=C1CC(Cc2cccc(Cl)c2)CN1 Amb28131641 [0,0,0,0,1,0|3,0,0]=4 69 B15R2.1115 O=C1CCC(Cc2cccc(Cl)c2)N1 Amb27457427 [0,0,0,0,1,0|2,0,1]=4 70 B15R2.1115 O=C1CCC(Nc2cccc(Cl)c2)C1 Amb28121847 [0,0,0,0,1,0|3,0,0]=4 71 B15R2.15418 NC1CC(COc2cccc(Cl)c2)C1 Amb29890784 [0,0,0,0,1,0|2,0,1]=4 72 B15R2.15418 NC1CC(CSc2cccc(Cl)c2)C1 Amb30039936 [0,0,0,0,1,0|2,0,1]=4 73 B17R2.5296 O=C1CCC(CNCc2cccc(Cl)c2)N1 Amb33230941 [0,0,0,0,0,1|2,0,1]=4 74 B14R1.422 N=C(N)NCCCCc1ccccc1 Amb32412066 [1,0,1,0,0,0|2,0,0]=4 75 B14R1.422 N=C(N)SCCCOc1ccccc1 Amb20675993 [1,0,1,0,0,0|1,1,0]=4 76 B14R1.148 CC(=O)NCCNc1cccc(Cl)c1 Amb18270431 [1,0,1,0,0,0|1,0,1]=4 77 B14R1.148 CC(C)=CCCNc1cccc(Cl)c1 Amb35623542 [1,0,1,0,0,0|2,0,0]=4 78 B14R1.148 NC(=O)NCCNc1cccc(Cl)c1 Amb28246386 [1,0,1,0,0,0|0,0,2]=4 79 B14R1.818 CC(CNc1ccccc1)NC(N)=O Amb28122040 [1,0,1,0,0,0|0,0,2]=4 80 B14R2.101 c1ccc(NCC2CCOC2)cc1 Amb9739162 [2,0,0,0,0,0|1,0,1]=4 81 B16R1.4381 COC(=O)CCCNc1cc(Cl)cc(Cl)c1 Amb8961000 [0,1,1,0,0,0|2,0,0]=4 82 B16R2.2925 Fc1c(Cl)cccc1NCC2CCOC2 Amb9207628 [1,1,0,0,0,0|1,0,1]=4 83 B16R2.2333 NCc1nc(Cc2cccc(Cl)c2)no1 Amb8842666 [0,1,0,0,1,0|1,0,1]=4 84 B16R2.2986 NC(=O)CC1CCNc2cc(Cl)ccc21 Amb31124469 [0,0,1,1,0,0|2,0,0]=4 85 B16R2.1218 COC(=O)C1CCN1c2cccc(Cl)c2 Amb27402807 [0,0,1,1,0,0|2,0,0]=4 86 B16R2.33901 COC(=O)C1CCNc2cc(Cl)ccc21 Amb31124579 [0,0,1,1,0,0|2,0,0]=4 87 B16R2.35365 O=C1CC(CO)CN1c2cccc(Cl)c2 Amb5755367 [0,0,1,1,0,0|2,0,0]=4 88 B16R2.11988 NC(=O)CC1CNc2cc(Cl)ccc2C1 Amb31124470 [0,0,1,1,0,0|1,0,1]=4 89 B16R2.11988 O=C(O)CC1CNc2cc(Cl)ccc2C1 Amb31124576 [0,0,1,1,0,0|2,0,0]=4 90 B16R3.17392 O=C1OCC2CNc3ccccc3N12 Amb27481854 [1,0,0,1,0,0|1,0,1]=4 91 B16R3.2119 Clc1ccc2c(c1)NCC23CCOC3 Amb32658564 [1,0,0,1,0,0|1,0,1]=4 92 B14R1.1025 COC(=O)CCNc1cccc(Br)c1 Amb9026327 [0,0,1,0,1,0|1,1,0]=4 93 B14R1.1025 COC(=O)CCNc1cccc(C)c1 Amb9026184 [0,0,1,0,1,0|2,0,0]=4 94 B14R1.1025 COC(=O)CCNc1cccc(Cl)c1 Amb9026318 [0,0,1,0,1,0|1,0,0]=3 95 B14R1.1025 COC(=O)CCNc1cccc(F)c1 Amb33548149 [0,0,1,0,1,0|1,1,0]=4 96 B14R1.5956 CC(CCc1cccc(Cl)c1)C(=O)O Amb17241242 [0,0,1,0,1,0|2,0,0]=4 97 B14R1.5956 CC(CNc1cccc(Br)c1)C(=O)O Amb9400482 [0,0,1,0,1,0|1,1,0]=4 98 B14R1.5956 CC(CNc1cccc(Br)c1)C(N)=O Amb8944665 [0,0,1,0,1,0|0,1,1]=4 99 B14R1.5956 CC(CNc1cccc(Cl)c1)C(=O)O Amb9400468 [0,0,1,0,1,0|1,0,0]=3 100 B14R1.5956 CC(CNc1cccc(Cl)c1)C(N)=O Amb8944658 [0,0,1,0,1,0|0,0,1]=3 101 B14R1.5956 CC(CNc1cccc(F)c1)C(=O)O Amb9400470 [0,0,1,0,1,0|1,1,0]=4 102 B14R1.5956 CC(CNc1cccc(F)c1)C(N)=O Amb8944659 [0,0,1,0,1,0|0,1,1]=4 103 B14R1.5956 CC(CNc1cccc(O)c1)C(=O)O Amb18095613 [0,0,1,0,1,0|2,0,0]=4 104 B14R1.5956 CC(CNc1cncc(Cl)c1)C(=O)O Amb29864891 [0,0,1,0,1,0|2,0,0]=4 105 B14R1.5956 CC(CNc1cncc(Cl)c1)C(N)=O Amb29864883 [0,0,1,0,1,0|1,0,1]=4 106 B14R1.5956 CC(COc1cccc(Cl)c1)C(=O)O Amb9399575 [0,0,1,0,1,0|2,0,0]=4 107 B14R1.5956 CC(COc1cccc(Cl)c1)C(N)=O Amb17241551 [0,0,1,0,1,0|1,0,1]=4 108 B14R1.5956 Cc1cccc(NCC(C)C(=O)O)c1 Amb9400294 [0,0,1,0,1,0|2,0,0]=4 109 B14R1.5956 Cc1cccc(NCC(C)C(N)=O)c1 Amb8944551 [0,0,1,0,1,0|1,0,1]=4 110 B14R1.5956 NC(=O)C(N)CNc1cccc(Cl)c1 Amb27788968 [0,0,1,0,1,0|1,0,1]=4 111 B14R1.5978 CC(CC(=O)O)Cc1cccc(Cl)c1 Amb17241247 [0,0,1,0,1,0|2,0,0]=4 112 B14R1.5978 CC(CC(=O)O)Nc1cccc(Cl)c1 Amb9398585 [0,0,1,0,1,0|2,0,0]=4 113 B14R1.5978 CC(CC(N)=O)Nc1cccc(Cl)c1 Amb17241284 [0,0,1,0,1,0|1,0,1]=4 114 B14R1.5978 CC(Cc1cccc(Cl)c1)NC(N)=O Amb24753672 [0,0,1,0,1,0|0,0,2]=4 115 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [1,0,0,0,1,0|1,0,0]=3 116 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [1,0,0,0,1,0|0,0,0]=2 117 B14R2.19 NC1=NC(Cc2ccccc2)CS1 Amb27400638 [1,0,0,0,1,0|0,1,0]=3 118 B14R2.19 NC1=NCC(Cc2ccccc2)N1 Amb27800741 [1,0,0,0,1,0|1,0,1]=4 119 B14R2.19 NC1=N[C@H](Cc2ccccc2)CO1 Amb27464486 [1,0,0,0,1,0|0,0,0]=2 120 B14R2.19 Nc1nc(Cc2ccccc2)co1 Amb22499416 [1,0,0,0,1,0|0,0,2]=4 121 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [1,0,0,0,1,0|2,0,0]=4 122 B14R2.19 O=C1CC(Nc2ccccc2)CO1 Amb27415556 [1,0,0,0,1,0|2,0,0]=4 123 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [1,0,0,0,1,0|1,0,1]=4 124 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [1,0,0,0,1,0|1,0,1]=4 125 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [1,0,0,0,1,0|1,0,1]=4 126 B14R2.19 S=C1NC(Cc2ccccc2)CO1 Amb25938312 [1,0,0,0,1,0|1,0,1]=4 127 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CO1 Amb8629174 [1,0,0,0,1,0|1,0,1]=4 128 B14R2.19 S=C1N[C@H](Cc2ccccc2)CO1 Amb8629175 [1,0,0,0,1,0|1,0,1]=4 129 B14R2.436 NC1CC(CNc2ccccc2)C1 Amb35644417 [1,0,0,0,1,0|1,0,1]=4 130 B14R2.436 N[C@H]1C[C@@H](CNc2ccccc2)C1 Amb30040082 [1,0,0,0,1,0|1,0,1]=4 131 B14R2.436 N[C@H]1C[C@H](CNc2ccccc2)C1 Amb29880060 [1,0,0,0,1,0|1,0,1]=4 132 B14R2.716 Clc1cccc(CC2CC=CC2)c1 Amb35594351 [1,0,0,0,1,0|2,0,0]=4 133 B14R2.4475 Clc1cccc(NCC2CCC2)c1 Amb28124547 [1,0,0,0,1,0|1,0,1]=4 134 B14R2.268 CC1CC1CNc2cccc(Cl)c2 Amb27448722 [0,0,0,0,2,0|1,0,1]=4 135 B14R2.268 NC1CC1COc2cccc(Cl)c2 Amb24533299 [0,0,0,0,2,0|1,0,1]=4 136 B14R2.22 NC1=NC(c2cccc(F)c2)CO1 Amb28341994 [0,0,0,0,2,0|0,1,0]=3 137 B14R2.22 NC1=NCC(c2cccc(Cl)c2)O1 Amb27180137 [0,0,0,0,2,0|2,0,0]=4 138 B14R2.22 NC1=NN(c2cccc(Cl)c2)CC1 Amb24105111 [0,0,0,0,2,0|2,0,0]=4 139 B14R2.22 Nc1nc(-c2cccc(Cl)c2)co1 Amb18279630 [0,0,0,0,2,0|0,0,2]=4 140 B14R2.22 Nc1nc(-c2cccc(Cl)c2)no1 Amb33530582 [0,0,0,0,2,0|1,0,1]=4 141 B14R2.22 O=C1CC(c2cccc(Cl)c2)CO1 Amb33353527 [0,0,0,0,2,0|2,0,0]=4 142 B14R2.22 O=C1NC(c2cccc(Cl)c2)CO1 Amb26859137 [0,0,0,0,2,0|1,0,1]=4 143 B14R2.22 O=C1N[C@@H](c2cccc(Cl)c2)CO1 Amb28077006 [0,0,0,0,2,0|1,0,1]=4 144 B14R2.9057 NC1CC(Nc2cccc(Cl)c2)C1 Amb28322544 [0,0,0,0,2,0|1,0,1]=4