0 B16R2.36 CC(C)NCCn1cnc2ccccc21 Amb9339079 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.36 O=C(O)CCCc1cnc2ccccn12 Amb33147740 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.36 O=C(O)CCCc1cnn2ccccc12 Amb33147741 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.36 O=C(O)CCCc1csc2ccccc12 Amb7808731 [0,0,0,0,0,0|3,0,0]=3 4 B16R2.36 O=C(O)CCCn1ccc2ccccc21 Amb6717212 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.36 O=C(O)CCCn1cnc2ccccc21 Amb5846621 [0,0,0,0,0,0|3,0,1]=4 6 B15R2.5 CCNCCn1cnc2ccccc21 Amb9339075 [1,0,0,0,0,0|1,0,2]=4 7 B15R2.5 O=C=NCCc1csc2ccccc12 Amb33313042 [1,0,0,0,0,0|1,0,2]=4 8 B15R2.5 O=CCCCc1cnc2ccccn12 Amb33146740 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.5 O=CCCCc1cnn2ccccc12 Amb33146837 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.5 O=CCCCc1csc2ccccc12 Amb33359438 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.5 O=CNCCc1coc2ccccc12 Amb28076738 [1,0,0,0,0,0|1,0,0]=2 12 B17R2.4 O=C(CCl)NCCN1CCc2ccccc21 Amb19372764 [0,1,0,0,0,0|2,0,1]=4 13 B17R2.4 O=C(CCl)NCCN1CCc2ccccc21 Amb33620509 [0,1,0,0,0,0|2,0,1]=4 14 B17R2.16 CC(CCc1csc2ccccc12)C(=O)O Amb33359681 [0,1,0,0,0,0|3,0,0]=4 15 B17R2.39 N[C@@H](CC(=O)O)Cc1csc2ccccc12 Amb33726045 [0,1,0,0,0,0|3,0,0]=4 16 B17R2.39 N[C@H](CC(=O)O)Cc1csc2ccccc12 Amb10603270 [0,1,0,0,0,0|3,0,0]=4 17 B17R2.877 CC(=O)NCC(O)c1csc2ccccc12 Amb28470894 [0,1,0,0,0,0|1,0,0]=2 18 B17R2.877 NC(CCC(=O)O)c1csc2ccccc12 Amb7808733 [0,1,0,0,0,0|3,0,0]=4 19 B17R2.5025 O=C(O)CCCC1C(=O)Nc2ccccc21 Amb534045 [0,1,0,0,0,0|2,0,1]=4 20 B17R2.5025 O=C(O)CCCN1C(=O)Nc2ccccc21 Amb18133474 [0,1,0,0,0,0|3,0,0]=4 21 B17R2.78537 Cn1cc(CCCC(=O)O)c2ccccc21 Amb2591996 [0,1,0,0,0,0|2,0,0]=3 22 B17R2.78537 Cn1cc(CCCC(=O)O)c2cccnc21 Amb32879246 [0,1,0,0,0,0|3,0,0]=4 23 B17R2.78537 Cn1cc(CNCC(=O)O)c2ccccc21 Amb18244884 [0,1,0,0,0,0|3,0,0]=4 24 B17R2.78537 Cn1nc(CCCC(=O)O)c2ccccc21 Amb33474715 [0,1,0,0,0,0|3,0,0]=4 25 B15R1.84 COc1ccccc1OCCNC(C)=O Amb1089434 [0,0,1,0,0,0|2,0,1]=4 26 B15R1.504 CC(=O)NCCNCCc1ccccc1 Amb6732507 [0,0,1,0,0,0|2,0,1]=4 27 B17R3.26 O=C1CC(C2CCc3ccccc32)CN1 Amb33144604 [0,0,0,1,0,0|1,0,2]=4 28 B17R3.26 O=C1CC(c2cnc3ccccn23)CN1 Amb33147733 [0,0,0,1,0,0|1,0,1]=3 29 B17R3.26 O=C1CC(c2cnc3cnccn23)CN1 Amb32724602 [0,0,0,1,0,0|2,0,1]=4 30 B17R3.26 O=C1CC(c2cnn3ccccc23)CN1 Amb33146818 [0,0,0,1,0,0|1,0,1]=3 31 B17R3.26 O=C1CC(c2csc3ccccc23)CN1 Amb33449203 [0,0,0,1,0,0|1,0,0]=2 32 B17R3.26 O=C1CCC(c2coc3ccccc23)C1 Amb35704270 [0,0,0,1,0,0|2,0,0]=3 33 B17R3.26 O=C1COC(c2coc3ccccc23)C1 Amb35734427 [0,0,0,1,0,0|3,0,0]=4 34 B17R3.26 O=C1COC(c2csc3ccccc23)C1 Amb35726622 [0,0,0,1,0,0|3,0,0]=4 35 B17R3.26 O=C1NC(c2csc3ccccc23)CO1 Amb33358802 [0,0,0,1,0,0|3,0,0]=4 36 B17R3.26 O=C1NCC(c2cnc3ccccn23)O1 Amb33146260 [0,0,0,1,0,0|2,0,1]=4 37 B17R3.26 O=C1NCC(c2cnn3ccccc23)O1 Amb33146803 [0,0,0,1,0,0|2,0,1]=4 38 B17R3.26 O=C1NCC(c2csc3ccccc23)O1 Amb33196992 [0,0,0,1,0,0|2,0,0]=3 39 B17R3.64991 O=C(O)C1CC1c2csc3ccccc23 Amb24715211 [0,0,0,1,0,0|3,0,0]=4 40 B17R3.64991 O=C(O)[C@@H]1C[C@H]1c2csc3ccccc23 Amb33313036 [0,0,0,1,0,0|3,0,0]=4 41 B15R2.6 C=C(C)CCn1ccc2ccccc21 Amb27796761 [0,0,0,0,1,0|3,0,0]=4 42 B15R2.6 C=C(C)CNc1csc2ccccc12 Amb28140449 [0,0,0,0,1,0|3,0,0]=4 43 B15R2.6 CC(=O)CCC1CCc2ccccc21 Amb33144625 [0,0,0,0,1,0|1,0,2]=4 44 B15R2.6 CC(=O)CCC1CSc2ccccc21 Amb28141490 [0,0,0,0,1,0|1,0,2]=4 45 B15R2.6 CC(=O)CCN1CCc2ccccc21 Amb17401320 [0,0,0,0,1,0|2,0,1]=4 46 B15R2.6 CC(=O)CCc1cnc2ccccn12 Amb33147734 [0,0,0,0,1,0|1,0,1]=3 47 B15R2.6 CC(=O)CCc1cnc2cnccn12 Amb32724625 [0,0,0,0,1,0|2,0,1]=4 48 B15R2.6 CC(=O)CCc1cnn2ccccc12 Amb33147782 [0,0,0,0,1,0|1,0,1]=3 49 B15R2.6 CC(=O)CCc1csc2ccccc12 Amb27146067 [0,0,0,0,1,0|1,0,0]=2 50 B15R2.6 CC(=O)CCc1nnn2ccccc12 Amb18820232 [0,0,0,0,1,0|2,0,1]=4 51 B15R2.6 CC(=O)CCn1ccc2ccccc21 Amb27412080 [0,0,0,0,1,0|2,0,0]=3 52 B15R2.6 CC(=O)CCn1ccc2cccnc21 Amb28051602 [0,0,0,0,1,0|3,0,0]=4 53 B15R2.6 CC(=O)COc1noc2ccccc12 Amb28202646 [0,0,0,0,1,0|3,0,0]=4 54 B15R2.6 CC(=O)NCn1nnc2ccccc21 Amb10560575 [0,0,0,0,1,0|2,0,1]=4 55 B15R2.6 CC(=O)\C=C\c1csc2ccccc12 Amb27632580 [0,0,0,0,1,0|1,0,2]=4 56 B15R2.6 CC(Br)CCc1coc2ccccc12 Amb35704104 [0,0,0,0,1,0|2,0,1]=4 57 B15R2.6 CC(C)NCc1coc2ccccc12 Amb19649833 [0,0,0,0,1,0|2,0,1]=4 58 B15R2.6 CC(C)NCc1csc2ccccc12 Amb19649474 [0,0,0,0,1,0|2,0,1]=4 59 B15R2.6 CC(N)CCc1csc2ccccc12 Amb26597936 [0,0,0,0,1,0|2,0,1]=4 60 B15R2.6 CC(O)CCc1csc2ccccc12 Amb24401820 [0,0,0,0,1,0|1,0,2]=4 61 B15R2.6 CN(C)CCc1csc2ccccc12 Amb27841437 [0,0,0,0,1,0|3,0,0]=4 62 B15R2.6 C[C@@H](N)CCc1csc2ccccc12 Amb33312709 [0,0,0,0,1,0|2,0,1]=4 63 B15R2.6 C[C@@H](O)CCc1csc2ccccc12 Amb33312710 [0,0,0,0,1,0|1,0,2]=4 64 B15R2.6 C[C@H](N)CCc1csc2ccccc12 Amb33312708 [0,0,0,0,1,0|2,0,1]=4 65 B15R2.6 C[C@H](O)CCc1csc2ccccc12 Amb33225760 [0,0,0,0,1,0|1,0,2]=4 66 B15R2.6 N=C(N)NCc1coc2ccccc12 Amb24671452 [0,0,0,0,1,0|3,0,0]=4 67 B15R2.6 N=C(N)NCc1csc2ccccc12 Amb26051196 [0,0,0,0,1,0|3,0,0]=4 68 B15R2.6 NC(=O)CCc1coc2ccccc12 Amb27847228 [0,0,0,0,1,0|2,0,0]=3 69 B15R2.6 NC(=O)CCc1nsc2ccccc12 Amb24530646 [0,0,0,0,1,0|3,0,0]=4 70 B15R2.6 NC(=O)CCn1ccc2ccccc21 Amb1902855 [0,0,0,0,1,0|3,0,0]=4 71 B15R2.6 NC(=O)CCn1cnc2ccccc21 Amb1065271 [0,0,0,0,1,0|2,0,1]=4 72 B15R2.6 NC(=O)NNc1coc2ccccc12 Amb28066672 [0,0,0,0,1,0|3,0,0]=4 73 B15R2.6 NC(=O)NNc1csc2ccccc12 Amb27189081 [0,0,0,0,1,0|3,0,0]=4 74 B15R2.6 NC(=O)OCc1coc2ccccc12 Amb27647621 [0,0,0,0,1,0|3,0,0]=4 75 B15R2.6 O=C(O)CCC1=CCc2ccccc21 Amb24498312 [0,0,0,0,1,0|2,0,0]=3 76 B15R2.6 O=C(O)CCC1CNc2ccccc21 Amb18560673 [0,0,0,0,1,0|1,0,2]=4 77 B15R2.6 O=C(O)CC[NH+]1C=Nc2ccccc21 Amb4302532 [0,0,0,0,1,0|2,0,1]=4 78 B15R2.6 O=C(O)CC[n+]1csc2ccccc21 Amb4017250 [0,0,0,0,1,0|3,0,0]=4 79 B15R2.6 O=C(O)CCc1cnc2ccccn12 Amb17127695 [0,0,0,0,1,0|2,0,1]=4 80 B15R2.6 O=C(O)CCc1cnn2ccccc12 Amb25806764 [0,0,0,0,1,0|2,0,1]=4 81 B15R2.6 O=C(O)CCc1csc2ccccc12 Amb18995289 [0,0,0,0,1,0|2,0,0]=3 82 B15R2.6 O=C(O)CCc1noc2ccccc12 Amb18818911 [0,0,0,0,1,0|3,0,0]=4 83 B15R2.6 O=C(O)CCc1onc2ccccc12 Amb18818950 [0,0,0,0,1,0|2,0,1]=4 84 B15R2.6 O=C(O)CCn1ccc2ccccc21 Amb1215762 [0,0,0,0,1,0|3,0,0]=4 85 B15R2.6 O=C(O)CCn1cnc2ccccc21 Amb1099400 [0,0,0,0,1,0|2,0,1]=4 86 B15R2.6 O=C(O)CCn1cnc2ccccc21 Amb1292760 [0,0,0,0,1,0|2,0,1]=4 87 B15R2.6 O=C(O)CCn1cnc2ccccc21 Amb22492319 [0,0,0,0,1,0|2,0,1]=4 88 B15R2.6 O=C(O)COc1csc2ccccc12 Amb26382826 [0,0,0,0,1,0|3,0,0]=4 89 B15R2.6 O=[N+]([O-])CCc1csc2ccccc12 Amb26527794 [0,0,0,0,1,0|3,0,0]=4 90 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 Amb21962168 [0,0,0,0,0,1|1,0,0]=2 91 B17R2.5669 O=C(O)CCCc1ccc2ccccc2c1 Amb33545414 [0,0,0,0,0,1|3,0,0]=4 92 B17R2.5669 O=C(O)CCCc1cnc2ccccc2c1 Amb33324368 [0,0,0,0,0,1|2,0,1]=4 93 B17R2.5669 O=C(O)CCCc1cnc2ccccc2n1 Amb32455070 [0,0,0,0,0,1|2,0,1]=4 94 B17R2.291558 CC(C)NCCc1cccc2ccccc12 Amb8853805 [0,0,0,0,0,1|2,0,1]=4 95 B17R2.291558 O=C(O)CCCc1cccc2ccccc12 Amb3932908 [0,0,0,0,0,1|3,0,0]=4 96 B17R2.291558 O=C(O)CCCc1ccnc2ccccc12 Amb33359008 [0,0,0,0,0,1|2,0,1]=4 97 B14R1.159 CC(=O)NCCNc1ccccc1C Amb27485613 [1,0,1,0,0,0|1,0,1]=4 98 B14R1.159 CC(=O)NCCNc1ccccc1N Amb9415066 [1,0,1,0,0,0|1,0,0]=3 99 B14R1.159 CC(=O)NCCNc1cnccc1N Amb28344426 [1,0,1,0,0,0|2,0,0]=4 100 B14R1.159 CC(=O)NCCNc1ncccc1N Amb9415061 [1,0,1,0,0,0|2,0,0]=4 101 B14R1.159 CC(=O)NCCOc1ccccc1Cl Amb6340266 [1,0,1,0,0,0|2,0,0]=4 102 B14R1.159 CC(=O)NCCOc1ccccc1F Amb6369742 [1,0,1,0,0,0|2,0,0]=4 103 B14R1.159 CC(=O)NCCOc1ccccc1N Amb17131704 [1,0,1,0,0,0|1,0,0]=3 104 B14R2.3 C=CCCc1coc2ccccc12 Amb35704125 [2,0,0,0,0,0|1,0,1]=4 105 B14R2.3 CCNCc1coc2ccccc12 Amb19649832 [2,0,0,0,0,0|1,0,1]=4 106 B14R2.3 CCNCc1csc2ccccc12 Amb18994544 [2,0,0,0,0,0|1,0,1]=4 107 B14R2.3 CNCCC1C=Cc2ccccc21 Amb27215471 [2,0,0,0,0,0|1,0,1]=4 108 B14R2.3 CNCCC1CNc2ccccc21 Amb18647991 [2,0,0,0,0,0|0,0,2]=4 109 B14R2.3 CNCCc1cnc2ccccn12 Amb33225717 [2,0,0,0,0,0|1,0,1]=4 110 B14R2.3 CNCCc1cnn2ccccc12 Amb33149375 [2,0,0,0,0,0|1,0,1]=4 111 B14R2.3 CNCCc1csc2ccccc12 Amb18129924 [2,0,0,0,0,0|1,0,0]=3 112 B14R2.3 CNCCn1ccc2ccccc21 Amb1792778 [2,0,0,0,0,0|2,0,0]=4 113 B14R2.3 CNCCn1ccc2ccccc21 Amb6344835 [2,0,0,0,0,0|2,0,0]=4 114 B14R2.3 CNCCn1cnc2ccccc21 Amb9339073 [2,0,0,0,0,0|1,0,1]=4 115 B14R2.3 CONCc1csc2ccccc12 Amb28205550 [2,0,0,0,0,0|2,0,0]=4 116 B14R2.3 O=CCCc1cnc2ccccn12 Amb33146742 [2,0,0,0,0,0|1,0,1]=4 117 B14R2.3 O=CCCc1cnn2ccccc12 Amb33147783 [2,0,0,0,0,0|1,0,1]=4 118 B14R2.3 O=CCCc1coc2ccccc12 Amb28321950 [2,0,0,0,0,0|1,0,0]=3 119 B14R2.3 O=CCCc1csc2ccccc12 Amb26851937 [2,0,0,0,0,0|1,0,0]=3 120 B14R2.3 O=CCCn1ccc2ccccc21 Amb17074399 [2,0,0,0,0,0|2,0,0]=4 121 B16R1.12322 CC(=O)NCCNc1ccccc1N(C)C Amb18270437 [0,1,1,0,0,0|1,0,1]=4 122 B16R2.6329 CCNCCc1cn(C)c2ccccc12 Amb17193964 [1,1,0,0,0,0|0,0,1]=3 123 B16R2.6329 CNCCCc1cn(C)c2ccccc12 Amb18566602 [1,1,0,0,0,0|2,0,0]=4 124 B16R2.6329 Cn1cc(CCCC=O)c2ccccc21 Amb18864391 [1,1,0,0,0,0|1,0,0]=3 125 B16R2.6329 Cn1cc(CCCC=O)c2cccnc21 Amb32879011 [1,1,0,0,0,0|2,0,0]=4 126 B16R2.6329 Cn1cc(CCN=C=O)c2ccccc21 Amb18566210 [1,1,0,0,0,0|0,0,2]=4 127 B16R2.6329 Cn1nc(CCCC=O)c2ccccc21 Amb33474090 [1,1,0,0,0,0|2,0,0]=4 128 B16R2.12 CC(Cc1csc2ccccc12)C(=O)O Amb25198396 [0,1,0,0,1,0|2,0,0]=4 129 B16R2.12 NC(=O)C(N)Cc1coc2ccccc12 Amb33229633 [0,1,0,0,1,0|2,0,0]=4 130 B16R2.12 NC(=O)C(N)Cc1csc2ccccc12 Amb27829186 [0,1,0,0,1,0|2,0,0]=4 131 B16R2.12 NC(Cc1coc2ccccc12)C(=O)O Amb18783358 [0,1,0,0,1,0|2,0,0]=4 132 B16R2.12 NC(Cc1csc2ccccc12)C(=O)O Amb6856416 [0,1,0,0,1,0|2,0,0]=4 133 B16R2.12 N[C@@H](Cc1csc2ccccc12)C(=O)O Amb10068196 [0,1,0,0,1,0|2,0,0]=4 134 B16R2.12 N[C@H](Cc1csc2ccccc12)C(=O)O Amb8385666 [0,1,0,0,1,0|2,0,0]=4 135 B16R2.12 O=C(O)C(O)Cc1coc2ccccc12 Amb33353358 [0,1,0,0,1,0|2,0,0]=4 136 B16R2.12 O=C(O)C(O)Cc1csc2ccccc12 Amb33353421 [0,1,0,0,1,0|2,0,0]=4 137 B16R2.520 CC(=O)CC(C)c1coc2ccccc12 Amb35704271 [0,1,0,0,1,0|1,0,0]=3 138 B16R2.520 CC(=O)CC(C)n1cnc2ccccc21 Amb27667619 [0,1,0,0,1,0|1,0,1]=4 139 B16R2.520 CC(CC(=O)O)c1coc2ccccc12 Amb35713831 [0,1,0,0,1,0|2,0,0]=4 140 B16R2.520 CC(CC(=O)O)c1csc2ccccc12 Amb33195465 [0,1,0,0,1,0|2,0,0]=4 141 B16R2.520 NC(=O)C[C@H](N)c1coc2ccccc12 Amb27774257 [0,1,0,0,1,0|2,0,0]=4 142 B16R2.520 NC(CC(=O)O)c1csc2ccccc12 Amb18995286 [0,1,0,0,1,0|2,0,0]=4 143 B16R2.520 N[C@@H](CC(=O)O)c1coc2ccccc12 Amb27173691 [0,1,0,0,1,0|2,0,0]=4 144 B16R2.520 N[C@H](CC(=O)O)c1coc2ccccc12 Amb27767044 [0,1,0,0,1,0|2,0,0]=4 145 B16R2.520 N[C@H](CC(=O)O)c1csc2ccccc12 Amb27781028 [0,1,0,0,1,0|2,0,0]=4 146 B16R2.520 O=C(O)CC(O)c1coc2ccccc12 Amb31117174 [0,1,0,0,1,0|2,0,0]=4 147 B16R2.520 O=C(O)CC(O)c1csc2ccccc12 Amb18995300 [0,1,0,0,1,0|2,0,0]=4 148 B16R2.520 O=C(O)C[C@@H](O)c1csc2ccccc12 Amb33313001 [0,1,0,0,1,0|2,0,0]=4 149 B16R2.520 O=C(O)C[C@H](O)c1csc2ccccc12 Amb33312963 [0,1,0,0,1,0|2,0,0]=4 150 B16R2.2976 CC(=O)CCn1ccc2cc(Br)ccc21 Amb27390926 [0,1,0,0,1,0|2,0,0]=4 151 B16R2.2976 CC(=O)CCn1ccc2cc(F)ccc21 Amb27954398 [0,1,0,0,1,0|2,0,0]=4 152 B16R2.4003 CC(=O)CCN1C(=O)Oc2ccccc21 Amb28323710 [0,1,0,0,1,0|2,0,0]=4 153 B16R2.4003 CC(=O)CCc1c2ccccc2nn1C Amb33312123 [0,1,0,0,1,0|1,0,1]=4 154 B16R2.4003 CC(=O)N\N=C1/C(O)=Nc2ccccc21 Amb22369572 [0,1,0,0,1,0|1,0,1]=4 155 B16R2.4003 O=C(O)CCC1C(=O)Nc2ccccc21 Amb9776214 [0,1,0,0,1,0|1,0,1]=4 156 B16R2.4003 O=C(O)CCN1C(=O)Nc2ccccc21 Amb18540823 [0,1,0,0,1,0|2,0,0]=4 157 B16R2.15551 CC(=O)CCn1ccc2ccc(F)cc21 Amb27226390 [0,1,0,0,1,0|2,0,0]=4 158 B16R2.22833 CC(=O)CCn1ccc2c(Cl)cccc21 Amb28255410 [0,1,0,0,1,0|2,0,0]=4 159 B16R2.104522 CC(=O)CCc1cn(C)c2ccccc12 Amb17595348 [0,1,0,0,1,0|0,0,0]=2 160 B16R2.104522 CC(=O)CCc1cn(C)c2ncccc12 Amb33224574 [0,1,0,0,1,0|1,0,0]=3 161 B16R2.104522 CC(=O)CCc1nn(C)c2ccccc12 Amb28124503 [0,1,0,0,1,0|1,0,0]=3 162 B16R2.104522 CC(=O)\C=C\c1cn(C)c2ccccc12 Amb616511 [0,1,0,0,1,0|0,0,2]=4 163 B16R2.104522 CC(C)NCc1cn(C)c2ccccc12 Amb18566604 [0,1,0,0,1,0|1,0,1]=4 164 B16R2.104522 CC(C)NCc1cn(C)c2ccccc12 Amb21969162 [0,1,0,0,1,0|1,0,1]=4 165 B16R2.104522 CC(N)CCc1cn(C)c2ccccc12 Amb17760422 [0,1,0,0,1,0|1,0,1]=4 166 B16R2.104522 CC(O)CCc1cn(C)c2ccccc12 Amb33172540 [0,1,0,0,1,0|0,0,2]=4 167 B16R2.104522 C[C@@H](N)CCc1cn(C)c2ccccc12 Amb33320665 [0,1,0,0,1,0|1,0,1]=4 168 B16R2.104522 C[C@@H](O)CCc1cn(C)c2ccccc12 Amb33320666 [0,1,0,0,1,0|0,0,2]=4 169 B16R2.104522 C[C@H](N)CCc1cn(C)c2ccccc12 Amb33320664 [0,1,0,0,1,0|1,0,1]=4 170 B16R2.104522 C[C@H](O)CCc1cn(C)c2ccccc12 Amb33320667 [0,1,0,0,1,0|0,0,2]=4 171 B16R2.104522 Cn1cc(CCC(=O)O)c2ccccc21 Amb6356128 [0,1,0,0,1,0|1,0,0]=3 172 B16R2.104522 Cn1cc(CCC(=O)O)c2cccnc21 Amb32881135 [0,1,0,0,1,0|2,0,0]=4 173 B16R2.104522 Cn1cc(CC[N+](=O)[O-])c2ccccc21 Amb33319503 [0,1,0,0,1,0|2,0,0]=4 174 B16R2.104522 Cn1cc(CNC(=N)N)c2ccccc21 Amb31112442 [0,1,0,0,1,0|2,0,0]=4 175 B16R2.104522 Cn1cc(CNC(N)=O)c2ccccc21 Amb31129069 [0,1,0,0,1,0|1,0,0]=3 176 B16R2.104522 Cn1cc(NCC(=O)O)c2ccccc21 Amb31129173 [0,1,0,0,1,0|2,0,0]=4 177 B16R2.104522 Cn1cc(OCC(=O)O)c2ccccc21 Amb33319461 [0,1,0,0,1,0|2,0,0]=4 178 B16R2.104522 Cn1cc(SCC(=O)O)c2ccccc21 Amb1058730 [0,1,0,0,1,0|2,0,0]=4 179 B16R2.104522 Cn1cc(SCC(N)=O)c2ccccc21 Amb1349739 [0,1,0,0,1,0|2,0,0]=4 180 B16R2.104522 Cn1nc(CCC(=O)O)c2ccccc21 Amb26466075 [0,1,0,0,1,0|2,0,0]=4 181 B18R2.131795 CC(=O)CC\C=C\c1cn(C)c2ccccc12 Amb18867863 [0,1,0,0,0,1|1,0,1]=4 182 B18R2.9469 O=C(CCl)NCCc1ccc2ccccc2c1 Amb31176169 [0,1,0,0,0,1|1,0,0]=3 183 B18R2.741502 O=C(CCl)NCCc1cccc2ccccc12 Amb19514460 [0,1,0,0,0,1|1,0,0]=3 184 B18R2.741502 O=C(CCl)NCCc1cccc2cccnc12 Amb20669315 [0,1,0,0,0,1|2,0,0]=4 185 B18R2.10039 COC(=O)NCC(O)c1csc2ccccc12 Amb33618607 [0,2,0,0,0,0|1,0,0]=3 186 B18R2.101402 Cn1cc(CCNC(=O)CN)c2ccccc21 Amb18897971 [0,2,0,0,0,0|0,0,0]=2 187 B18R2.101408 COC(=O)CCCN1C(=S)Nc2ccccc21 Amb33611583 [0,2,0,0,0,0|2,0,0]=4 188 B18R2.978763 CC(CCc1cn(C)c2ccccc12)C(=O)O Amb33319475 [0,2,0,0,0,0|2,0,0]=4 189 B18R2.978778 CC(C)NC(C)Cc1cn(C)c2ccccc12 Amb18868847 [0,2,0,0,0,0|1,0,1]=4 190 B18R2.978778 Cn1cc(CC(N)CC(=O)O)c2ccccc21 Amb18869465 [0,2,0,0,0,0|2,0,0]=4 191 B18R2.131796 CC(C)NCC(O)c1cn(C)c2ccccc12 Amb18573623 [0,2,0,0,0,0|1,0,1]=4 192 B18R2.131796 Cn1cc(C(N)CCC(=O)O)c2ccccc21 Amb33360403 [0,2,0,0,0,0|2,0,0]=4 193 B18R2.131794 Cn1cc(CCNC(C)(C)C)c2ccccc21 Amb18897561 [0,2,0,0,0,0|1,0,1]=4 194 B18R2.508846 CC(C)NCCc1cn(C)c2cc(Cl)ccc12 Amb18902816 [0,2,0,0,0,0|1,0,1]=4 195 B18R2.508846 CC(C)NCCc1cn(C)c2cc(F)ccc12 Amb18899058 [0,2,0,0,0,0|1,0,1]=4 196 B18R2.508846 Cc1ccc2c(CCCC(=O)O)cn(C)c2c1 Amb18897870 [0,2,0,0,0,0|2,0,0]=4 197 B18R2.508846 Cc1ccc2c(CCNC(C)C)cn(C)c2c1 Amb18897694 [0,2,0,0,0,0|1,0,1]=4 198 B18R2.508846 Cn1cc(CCCC(=O)O)c2ccc(Cl)cc21 Amb18902978 [0,2,0,0,0,0|2,0,0]=4 199 B18R2.508846 Cn1cc(CCCC(=O)O)c2ccc(F)cc21 Amb18899223 [0,2,0,0,0,0|2,0,0]=4 200 B18R2.2313821 Cc1c(CCCC(=O)O)c2ccccc2n1C Amb1102228 [0,2,0,0,0,0|2,0,0]=4 201 B18R2.2313821 Cc1c(CCNC(C)C)c2ccccc2n1C Amb18868853 [0,2,0,0,0,0|1,0,1]=4 202 B18R2.120971 CCc1ccc2scc(CCNC(C)=O)c2c1 Amb24074176 [0,2,0,0,0,0|1,0,0]=3 203 B18R2.508866 CC(C)NCCc1cn(C)c2ccc(Cl)cc12 Amb18902792 [0,2,0,0,0,0|1,0,1]=4 204 B18R2.508866 CC(C)NCCc1cn(C)c2ccc(F)cc12 Amb18899034 [0,2,0,0,0,0|1,0,1]=4 205 B18R2.508866 Cc1ccc2c(c1)c(CCCC(=O)O)cn2C Amb18897831 [0,2,0,0,0,0|2,0,0]=4 206 B18R2.508866 Cc1ccc2c(c1)c(CCNC(C)C)cn2C Amb18897571 [0,2,0,0,0,0|1,0,1]=4 207 B18R2.508866 Cn1cc(CCCC(=O)O)c2cc(Cl)ccc21 Amb18902972 [0,2,0,0,0,0|2,0,0]=4 208 B18R2.508866 Cn1cc(CCCC(=O)O)c2cc(F)ccc21 Amb18899217 [0,2,0,0,0,0|2,0,0]=4 209 B18R2.484150 CC(C)NCCc1cn(C)c2c(Cl)cccc12 Amb18902804 [0,2,0,0,0,0|1,0,1]=4 210 B18R2.484150 CC(C)NCCc1cn(C)c2c(F)cccc12 Amb18899046 [0,2,0,0,0,0|1,0,1]=4 211 B18R2.484150 Cc1cccc2c(CCCC(=O)O)cn(C)c12 Amb18897843 [0,2,0,0,0,0|2,0,0]=4 212 B18R2.484150 Cc1cccc2c(CCNC(C)C)cn(C)c12 Amb18897623 [0,2,0,0,0,0|1,0,1]=4 213 B18R2.484150 Cn1cc(CCCC(=O)O)c2cccc(Cl)c21 Amb18902975 [0,2,0,0,0,0|2,0,0]=4 214 B18R2.484150 Cn1cc(CCCC(=O)O)c2cccc(F)c21 Amb18899220 [0,2,0,0,0,0|2,0,0]=4 215 B18R2.254903 CCn1cc(CCCC(=O)O)c2ccccc21 Amb8826806 [0,2,0,0,0,0|2,0,0]=4 216 B16R2.252 O=C1CCC\C(=N/Nc2ccccc2)C1 Amb33869970 [0,0,1,1,0,0|2,0,0]=4 217 B16R2.252 O=C1CCC\C(=N\Nc2ccccc2)C1 Amb28989652 [0,0,1,1,0,0|2,0,0]=4 218 B16R2.179941 CC(=O)NCC1CCNc2ccccc21 Amb32678291 [0,0,1,1,0,0|0,0,2]=4 219 B16R2.39178 CC(=O)N1CCC(CN)c2ccccc21 Amb32678290 [0,0,1,1,0,0|0,0,2]=4 220 B16R2.47566 NCC1(c2ccccc2)CCNC(=O)C1 Amb31129236 [0,0,1,1,0,0|0,0,2]=4 221 B16R2.81677 CC(=O)N1CCC(=O)c2ccccc2C1 Amb32846812 [0,0,1,1,0,0|2,0,0]=4 222 B16R3.8 c1ccc2c(C3CCNC3)coc2c1 Amb18191128 [1,0,0,1,0,0|1,0,1]=4 223 B16R3.8 c1ccc2c(C3CCNC3)csc2c1 Amb18785238 [1,0,0,1,0,0|1,0,1]=4 224 B16R3.1722 c1ccc2c(c1)CC3=C2CCNCC3 Amb28252144 [1,0,0,1,0,0|1,0,1]=4 225 B16R3.3329 C[C@@H]1NCCc2c1sc3ccccc23 Amb28074159 [1,0,0,1,0,0|1,0,1]=4 226 B16R3.3329 O=C1CCCc2c1sc3ccccc23 Amb20622624 [1,0,0,1,0,0|2,0,0]=4 227 B16R3.3329 O=C1NCCC2=C1Cc3ccccc32 Amb26979858 [1,0,0,1,0,0|1,0,0]=3 228 B16R3.3329 O=C1NCCC2c3ccccc3NC12 Amb27487337 [1,0,0,1,0,0|0,0,2]=4 229 B16R3.3329 O=C1NCCc2c1nn3ccccc23 Amb25104715 [1,0,0,1,0,0|1,0,1]=4 230 B18R3.50 O=C1CCNC(c2coc3ccccc23)C1 Amb18173776 [0,0,0,1,0,1|2,0,0]=4 231 B18R3.50 O=C1CNCC(c2coc3ccccc23)N1 Amb31136016 [0,0,0,1,0,1|2,0,0]=4 232 B18R3.50 O=C1CNCC(c2csc3ccccc23)N1 Amb31119561 [0,0,0,1,0,1|2,0,0]=4 233 B18R3.2942 O=C1CC(c2ccc3ccccc3c2)CN1 Amb33080014 [0,0,0,1,0,1|1,0,0]=3 234 B18R3.2942 O=C1CC(c2ccc3ccccc3n2)CN1 Amb33079773 [0,0,0,1,0,1|1,0,0]=3 235 B18R3.2942 O=C1CC(c2ccc3cccnc3c2)CN1 Amb33449396 [0,0,0,1,0,1|2,0,0]=4 236 B18R3.2942 O=C1CC(c2ccc3ncccc3c2)CN1 Amb32953370 [0,0,0,1,0,1|2,0,0]=4 237 B18R3.2942 O=C1CC(c2cnc3ccccc3c2)CN1 Amb33474797 [0,0,0,1,0,1|0,0,1]=3 238 B18R3.2942 O=C1CC(c2cnc3ccccc3n2)CN1 Amb33378884 [0,0,0,1,0,1|0,0,1]=3 239 B18R3.2942 O=C1NCC(c2ccc3ccccc3c2)O1 Amb18639389 [0,0,0,1,0,1|2,0,0]=4 240 B18R3.2942 O=C1NCC(c2ccc3ccccc3n2)O1 Amb33201030 [0,0,0,1,0,1|2,0,0]=4 241 B18R3.2942 O=C1NCC(c2cnc3ccccc3c2)O1 Amb33319776 [0,0,0,1,0,1|1,0,1]=4 242 B18R3.2942 O=C1NCC(c2cnc3ccccc3n2)O1 Amb33378870 [0,0,0,1,0,1|1,0,1]=4 243 B18R3.2910 O=C1CC(c2cccc3ccccc23)CN1 Amb33359481 [0,0,0,1,0,1|1,0,0]=3 244 B18R3.2910 O=C1CC(c2cccc3cnccc23)CN1 Amb33172516 [0,0,0,1,0,1|2,0,0]=4 245 B18R3.2910 O=C1CC(c2ccnc3ccccc23)CN1 Amb33429709 [0,0,0,1,0,1|0,0,1]=3 246 B18R3.2910 O=C1NCC(c2cccc3ccccc23)O1 Amb33080006 [0,0,0,1,0,1|2,0,0]=4 247 B18R3.2910 O=C1NCC(c2ccnc3ccccc23)O1 Amb33144558 [0,0,0,1,0,1|1,0,1]=4 248 B18R3.115974 CC(=O)OC1Cc2cccc3cccc1c23 Amb4477264 [0,0,0,1,0,1|2,0,0]=4 249 B18R3.48 O=C1CNC(c2coc3ccccc23)CN1 Amb31136017 [0,1,0,1,0,0|1,0,0]=3 250 B18R3.48 O=C1CNC(c2csc3ccccc23)CN1 Amb31119562 [0,1,0,1,0,0|1,0,0]=3 251 B18R3.140294 O=C(CCl)N1CCn2c1nc3ccccc32 Amb6761140 [0,1,0,1,0,0|1,0,1]=4 252 B18R3.140294 O=C(CS)N1CCn2c1nc3ccccc32 Amb6761139 [0,1,0,1,0,0|1,0,1]=4 253 B18R3.30529 Cn1nc2ccccc2c1C3CNC(=O)C3 Amb33310629 [0,1,0,1,0,0|1,0,1]=4 254 B18R3.30385 Cn1cc(C2CCC(=O)C2)c3ccccc31 Amb31097459 [0,1,0,1,0,0|1,0,0]=3 255 B18R3.30385 Cn1cc(C2CNC(=O)C2)c3ccccc31 Amb33172394 [0,1,0,1,0,0|0,0,0]=2 256 B18R3.30385 Cn1cc(C2CNC(=O)C2)c3cccnc31 Amb32878662 [0,1,0,1,0,0|1,0,0]=3 257 B18R3.30385 Cn1cc(C2CNC(=O)O2)c3ccccc31 Amb33319462 [0,1,0,1,0,0|1,0,0]=3 258 B18R3.30385 Cn1cc(C2CNC(=O)O2)c3cccnc31 Amb32878656 [0,1,0,1,0,0|2,0,0]=4 259 B18R3.30385 Cn1cc(C2COC(=O)N2)c3ccccc31 Amb33320645 [0,1,0,1,0,0|2,0,0]=4 260 B18R3.30385 Cn1nc(C2CNC(=O)C2)c3ccccc31 Amb33361909 [0,1,0,1,0,0|1,0,0]=3 261 B18R3.30385 Cn1nc(C2CNC(=O)O2)c3ccccc31 Amb33196027 [0,1,0,1,0,0|2,0,0]=4 262 B18R3.622434 Cn1c2c(c3ccccc31)CCNC2(C)C Amb18174011 [0,1,0,1,0,0|1,0,1]=4 263 B18R3.2545567 Cn1cc(C2CC2C(=O)O)c3ccccc31 Amb18225327 [0,1,0,1,0,0|2,0,0]=4 264 B18R3.2545567 Cn1cc([C@@H]2C[C@H]2C(=O)O)c3ccccc31 Amb33319839 [0,1,0,1,0,0|2,0,0]=4 265 B18R3.4277315 Cn1cc(CCNC2CC2)c3ccccc31 Amb18225300 [0,1,0,1,0,0|1,0,1]=4 266 B14R1.96 C#Cc1ccccc1CCNC(C)=O Amb28146782 [0,0,1,0,1,0|1,0,1]=4 267 B14R1.96 COc1ccccc1CCNC(C)=O Amb4016212 [0,0,1,0,1,0|1,0,1]=4 268 B14R1.422 CC(=O)NCCNCc1ccccc1 Amb6732654 [0,0,1,0,1,0|1,0,1]=4 269 B14R1.422 CC(=O)NCC\N=C\c1ccccc1 Amb24073400 [0,0,1,0,1,0|1,0,0]=3 270 B14R1.422 CC(=O)N\N=C\C=C\c1ccccc1 Amb27787526 [0,0,1,0,1,0|1,0,1]=4 271 B14R1.540 C=C=C(CNC(C)=O)c1ccccc1 Amb27409197 [0,0,1,0,1,0|1,0,1]=4 272 B14R1.160 CC(=O)CCC(=O)c1ccccc1C Amb9472259 [0,0,1,0,1,0|2,0,0]=4 273 B14R1.160 CC(=O)CCC(=O)c1ccccc1Cl Amb9472229 [0,0,1,0,1,0|2,0,0]=4 274 B14R1.160 CC(=O)CCC(=O)c1ccccc1F Amb9472272 [0,0,1,0,1,0|2,0,0]=4 275 B14R1.160 CC(=O)CNC(=O)c1ccccc1N Amb26538460 [0,0,1,0,1,0|2,0,0]=4 276 B14R1.160 CC(=O)COC(=O)c1ccccc1N Amb9825153 [0,0,1,0,1,0|2,0,0]=4 277 B14R1.160 CC(=O)NCC(=O)c1ccccc1N Amb27796244 [0,0,1,0,1,0|1,0,0]=3 278 B14R1.160 CC(=O)N\C=C(\C)c1ccccc1N Amb27202530 [0,0,1,0,1,0|0,0,2]=4 279 B14R2.2 CC(=O)Cc1cnc2ccccn12 Amb24082608 [0,0,0,0,2,0|1,0,1]=4 280 B14R2.2 CC(=O)Cc1cnn2ccccc12 Amb33147713 [0,0,0,0,2,0|1,0,1]=4 281 B14R2.2 CC(=O)Cc1coc2ccccc12 Amb25861273 [0,0,0,0,2,0|1,0,0]=3 282 B14R2.2 CC(=O)Cc1csc2ccccc12 Amb17594971 [0,0,0,0,2,0|1,0,0]=3 283 B14R2.2 CC(=O)Cn1ccc2ccccc21 Amb18185769 [0,0,0,0,2,0|2,0,0]=4 284 B14R2.2 CC(=O)Cn1cnc2ccccc21 Amb9215880 [0,0,0,0,2,0|1,0,1]=4 285 B14R2.2 CC(=O)NC1=CCc2ccccc21 Amb22270448 [0,0,0,0,2,0|1,0,0]=3 286 B14R2.2 CC(=O)Nc1coc2ccccc12 Amb1102596 [0,0,0,0,2,0|1,0,0]=3 287 B14R2.2 CC(=O)Nc1csc2ccccc12 Amb10810744 [0,0,0,0,2,0|1,0,0]=3 288 B14R2.2 CC(=O)Nc1csc2cccnc12 Amb27830062 [0,0,0,0,2,0|2,0,0]=4 289 B14R2.2 CC(=O)Nc1csc2ccncc12 Amb28198804 [0,0,0,0,2,0|2,0,0]=4 290 B14R2.2 CC(=O)Nc1csc2cnccc12 Amb27411882 [0,0,0,0,2,0|2,0,0]=4 291 B14R2.2 CC(=O)Nc1nsc2ccccc12 Amb22478820 [0,0,0,0,2,0|2,0,0]=4 292 B14R2.2 CC(=O)Nn1ccc2ccccc21 Amb27491614 [0,0,0,0,2,0|2,0,0]=4 293 B14R2.2 CC(=O)Oc1coc2ccccc12 Amb6357855 [0,0,0,0,2,0|2,0,0]=4 294 B14R2.2 NC(=O)Cc1coc2ccccc12 Amb22039467 [0,0,0,0,2,0|2,0,0]=4 295 B14R2.2 NC(=O)Cc1csc2ccccc12 Amb25322207 [0,0,0,0,2,0|2,0,0]=4 296 B14R2.2 NC(=O)Nc1csc2ccccc12 Amb28182833 [0,0,0,0,2,0|2,0,0]=4 297 B14R2.2 O=C(Cl)Cc1coc2ccccc12 Amb2723678 [0,0,0,0,2,0|2,0,0]=4 298 B14R2.2 O=C(O)Cc1coc2ccccc12 Amb2723677 [0,0,0,0,2,0|2,0,0]=4 299 B14R2.2 O=C(O)Cc1csc2ccccc12 Amb2725408 [0,0,0,0,2,0|2,0,0]=4 300 B16R1.10817 CC(=O)NCCNC(=O)c1ccccc1N Amb33534343 [0,0,1,0,0,1|1,0,0]=3 301 B16R2.2441 O=CCCCc1ccc2ccccc2c1 Amb18549395 [1,0,0,0,0,1|2,0,0]=4 302 B16R2.2441 O=CCCCc1cnc2ccccc2c1 Amb33172349 [1,0,0,0,0,1|1,0,1]=4 303 B16R2.2441 O=CCCCc1cnc2ccccc2n1 Amb33378899 [1,0,0,0,0,1|1,0,1]=4 304 B16R2.2441 O=CNCCc1ccc2ccccc2n1 Amb24073056 [1,0,0,0,0,1|1,0,0]=3 305 B16R2.50359 O=CCCCc1cccc2ccccc12 Amb33172170 [1,0,0,0,0,1|2,0,0]=4 306 B16R2.50359 O=CCCCc1ccnc2ccccc12 Amb32953973 [1,0,0,0,0,1|1,0,1]=4 307 B16R2.50359 O=CNCCc1ccnc2ccccc12 Amb24073079 [1,0,0,0,0,1|0,0,1]=3 308 B18R2.9909 CC(=O)NCCNc1ccc2ncccc2c1 Amb18270430 [0,0,0,0,0,2|2,0,0]=4 309 B18R2.9909 CC(=O)NCCOc1ccc2ccccc2c1 Amb6358979 [0,0,0,0,0,2|1,0,0]=3 310 B18R2.9909 NC(=O)NCCOc1ccc2ccccc2c1 Amb17248951 [0,0,0,0,0,2|2,0,0]=4 311 B18R2.556536 CC(=O)NCCOc1cccc2cccnc12 Amb6322219 [0,0,0,0,0,2|2,0,0]=4 312 B18R2.556536 NC(=O)NCCOc1cccc2ccccc12 Amb17248953 [0,0,0,0,0,2|2,0,0]=4