0 B16R2.12 CC(CC1CCc2ccccc21)C(=O)O Amb33146112 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.12 CC(CN1CCc2ccccc21)C(=O)O Amb9400662 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.12 CC(Cc1cnc2ccccn12)C(=O)O Amb33274539 [0,0,0,0,0,0|2,0,1]=3 3 B16R2.12 CC(Cc1cnc2cnccn12)C(=O)O Amb32724551 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.12 CC(Cc1cnn2ccccc12)C(=O)O Amb33449063 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.12 CC(Cc1csc2ccccc12)C(=O)O Amb25198396 [0,0,0,0,0,0|2,0,0]=2 6 B16R2.12 CC(Cn1ccc2ccccc21)C(=O)O Amb19001382 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.12 CC(Cn1cnc2ccccc21)C(=O)O Amb2797759 [0,0,0,0,0,0|2,0,1]=3 8 B16R2.12 CC(Cn1ncc2ccccc21)C(=O)O Amb18986530 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.12 CC(Cn1nnc2ccccc21)C(=O)O Amb2225369 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.12 CC(Nc1nsc2ccccc12)C(=O)O Amb2372365 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.12 CC(Sc1nsc2ccccc12)C(=O)O Amb35678200 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.12 C[C@@H](CC1CCc2ccccc21)C(=O)O Amb33728363 [0,0,0,0,0,0|2,0,2]=4 13 B16R2.12 C[C@H](CC1CCc2ccccc21)C(=O)O Amb33728222 [0,0,0,0,0,0|2,0,2]=4 14 B16R2.12 NC(=O)C(N)Cc1coc2ccccc12 Amb33229633 [0,0,0,0,0,0|2,0,0]=2 15 B16R2.12 NC(=O)C(N)Cc1csc2ccccc12 Amb27829186 [0,0,0,0,0,0|2,0,0]=2 16 B16R2.12 NC(=O)C(N)Cn1cnc2ccccc21 Amb18984346 [0,0,0,0,0,0|2,0,1]=3 17 B16R2.12 NC(=O)C(N)Cn1ncc2ccccc21 Amb18986539 [0,0,0,0,0,0|4,0,0]=4 18 B16R2.12 NC(CC1CCc2ccccc21)C(=O)O Amb33146126 [0,0,0,0,0,0|1,0,2]=3 19 B16R2.12 NC(CC1CNc2ccccc21)C(=O)O Amb31031225 [0,0,0,0,0,0|0,0,2]=2 20 B16R2.12 NC(CC1COc2ccccc21)C(=O)O Amb30988032 [0,0,0,0,0,0|1,0,2]=3 21 B16R2.12 NC(CC1CSc2ccccc21)C(=O)O Amb24117191 [0,0,0,0,0,0|1,0,2]=3 22 B16R2.12 NC(Cc1cnc2ccccn12)C(=O)O Amb18783174 [0,0,0,0,0,0|1,0,1]=2 23 B16R2.12 NC(Cc1cnc2cnccn12)C(=O)O Amb33224312 [0,0,0,0,0,0|2,0,1]=3 24 B16R2.12 NC(Cc1cnn2ccccc12)C(=O)O Amb18654971 [0,0,0,0,0,0|1,0,1]=2 25 B16R2.12 NC(Cc1coc2ccccc12)C(=O)O Amb18783358 [0,0,0,0,0,0|1,0,0]=1 26 B16R2.12 NC(Cc1csc2ccccc12)C(=O)O Amb6856416 [0,0,0,0,0,0|1,0,0]=1 27 B16R2.12 NC(Cc1csc2ccccc12)C(F)F Amb33337821 [0,0,0,0,0,0|3,0,1]=4 28 B16R2.12 NC(Cn1ccc2cccnc21)C(=O)O Amb33299907 [0,0,0,0,0,0|3,0,0]=3 29 B16R2.12 NC(Cn1ccc2cccnc21)C(=O)O Amb6893870 [0,0,0,0,0,0|3,0,0]=3 30 B16R2.12 NC(Cn1cnc2ccccc21)C(=O)O Amb2697492 [0,0,0,0,0,0|1,0,1]=2 31 B16R2.12 NC(Cn1cnc2ccccc21)C(=O)O Amb31178363 [0,0,0,0,0,0|1,0,1]=2 32 B16R2.12 NC(Cn1ncc2ccccc21)C(=O)O Amb18986540 [0,0,0,0,0,0|3,0,0]=3 33 B16R2.12 NC(Cn1nnc2ccccc21)C(=O)O Amb25722703 [0,0,0,0,0,0|2,0,1]=3 34 B16R2.12 NC(Cn1nnc2ccccc21)C(=O)O Amb6893872 [0,0,0,0,0,0|2,0,1]=3 35 B16R2.12 N[C@@H](CC1COc2ccccc21)C(=O)O Amb27203282 [0,0,0,0,0,0|1,0,2]=3 36 B16R2.12 N[C@@H](Cc1csc2ccccc12)C(=O)O Amb10068196 [0,0,0,0,0,0|1,0,0]=1 37 B16R2.12 N[C@@H](Cn1ccc2cccnc21)C(=O)O Amb33194622 [0,0,0,0,0,0|3,0,0]=3 38 B16R2.12 N[C@@H](Cn1nnc2ccccc21)C(=O)O Amb33194620 [0,0,0,0,0,0|2,0,1]=3 39 B16R2.12 N[C@@H](Cn1nnc2ccccc21)C(=O)O Amb6893867 [0,0,0,0,0,0|2,0,1]=3 40 B16R2.12 N[C@H](Cc1csc2ccccc12)C(=O)O Amb8385666 [0,0,0,0,0,0|1,0,0]=1 41 B16R2.12 N\C(=C\c1coc2ccccc12)C(=O)O Amb35704319 [0,0,0,0,0,0|1,0,2]=3 42 B16R2.12 O=C(O)C(=O)Cc1cnc2ccccn12 Amb33447426 [0,0,0,0,0,0|2,0,2]=4 43 B16R2.12 O=C(O)C(=O)Cc1cnn2ccccc12 Amb33147973 [0,0,0,0,0,0|2,0,2]=4 44 B16R2.12 O=C(O)C(=O)Cc1csc2ccccc12 Amb18995285 [0,0,0,0,0,0|2,0,1]=3 45 B16R2.12 O=C(O)C(Cl)Cn1ccc2ccccc21 Amb27466971 [0,0,0,0,0,0|3,0,0]=3 46 B16R2.12 O=C(O)C(Cl)Cn1ncc2ccccc21 Amb27466972 [0,0,0,0,0,0|4,0,0]=4 47 B16R2.12 O=C(O)C(O)CC1CCc2ccccc21 Amb33146094 [0,0,0,0,0,0|2,0,2]=4 48 B16R2.12 O=C(O)C(O)CN1CCc2ccccc21 Amb25780917 [0,0,0,0,0,0|3,0,1]=4 49 B16R2.12 O=C(O)C(O)Cc1cnc2ccccn12 Amb33353371 [0,0,0,0,0,0|2,0,1]=3 50 B16R2.12 O=C(O)C(O)Cc1cnc2cnccn12 Amb32724515 [0,0,0,0,0,0|3,0,1]=4 51 B16R2.12 O=C(O)C(O)Cc1cnn2ccccc12 Amb33147956 [0,0,0,0,0,0|2,0,1]=3 52 B16R2.12 O=C(O)C(O)Cc1coc2ccccc12 Amb33353358 [0,0,0,0,0,0|2,0,0]=2 53 B16R2.12 O=C(O)C(O)Cc1csc2ccccc12 Amb33353421 [0,0,0,0,0,0|2,0,0]=2 54 B15R2.4 CC(C=O)Cc1coc2ccccc12 Amb35704267 [1,0,0,0,0,0|2,0,0]=3 55 B15R2.4 CC(CO)Cc1coc2ccccc12 Amb35704264 [1,0,0,0,0,0|2,0,1]=4 56 B15R2.4 CCC(N)Cc1csc2ccccc12 Amb19649477 [1,0,0,0,0,0|2,0,1]=4 57 B15R2.4 NC(CO)Cc1cnc2ccccn12 Amb18818397 [1,0,0,0,0,0|1,0,2]=4 58 B15R2.4 NC(CO)Cc1cnn2ccccc12 Amb33147893 [1,0,0,0,0,0|1,0,2]=4 59 B15R2.4 NC(CO)Cc1csc2ccccc12 Amb26937238 [1,0,0,0,0,0|1,0,1]=3 60 B15R2.6 CC(=O)CCc1cnc2ccccn12 Amb33147734 [1,0,0,0,0,0|2,0,1]=4 61 B15R2.6 CC(=O)CCc1cnn2ccccc12 Amb33147782 [1,0,0,0,0,0|2,0,1]=4 62 B15R2.6 CC(=O)CCc1csc2ccccc12 Amb27146067 [1,0,0,0,0,0|2,0,0]=3 63 B15R2.6 CC(=O)CCn1ccc2ccccc21 Amb27412080 [1,0,0,0,0,0|3,0,0]=4 64 B15R2.6 CC(O)CCc1csc2ccccc12 Amb24401820 [1,0,0,0,0,0|2,0,1]=4 65 B15R2.6 C[C@@H](O)CCc1csc2ccccc12 Amb33312710 [1,0,0,0,0,0|2,0,1]=4 66 B15R2.6 C[C@H](O)CCc1csc2ccccc12 Amb33225760 [1,0,0,0,0,0|2,0,1]=4 67 B15R2.6 NC(=O)CCc1coc2ccccc12 Amb27847228 [1,0,0,0,0,0|2,0,0]=3 68 B15R2.6 NC(=O)CCc1nsc2ccccc12 Amb24530646 [1,0,0,0,0,0|3,0,0]=4 69 B15R2.6 NC(=O)CCn1ccc2ccccc21 Amb1902855 [1,0,0,0,0,0|3,0,0]=4 70 B15R2.6 NC(=O)CCn1cnc2ccccc21 Amb1065271 [1,0,0,0,0,0|2,0,1]=4 71 B15R2.6 NC(=O)OCc1coc2ccccc12 Amb27647621 [1,0,0,0,0,0|3,0,0]=4 72 B15R2.6 O=C(O)C#Cc1coc2ccccc12 Amb27761000 [1,0,0,0,0,0|1,0,2]=4 73 B15R2.6 O=C(O)C#Cc1csc2ccccc12 Amb25877120 [1,0,0,0,0,0|1,0,2]=4 74 B15R2.6 O=C(O)CCC1=CCc2ccccc21 Amb24498312 [1,0,0,0,0,0|1,0,0]=2 75 B15R2.6 O=C(O)CCC1CCc2ccccc21 Amb18650564 [1,0,0,0,0,0|1,0,2]=4 76 B15R2.6 O=C(O)CCC1CNc2ccccc21 Amb18560673 [1,0,0,0,0,0|0,0,2]=3 77 B15R2.6 O=C(O)CCC1COc2ccccc21 Amb25901098 [1,0,0,0,0,0|1,0,2]=4 78 B15R2.6 O=C(O)CCC1CSc2ccccc21 Amb25137538 [1,0,0,0,0,0|1,0,2]=4 79 B15R2.6 O=C(O)CCC1N=Cc2ccccc21 Amb2713870 [1,0,0,0,0,0|2,0,1]=4 80 B15R2.6 O=C(O)CCN1CCc2ccccc21 Amb2235429 [1,0,0,0,0,0|2,0,1]=4 81 B15R2.6 O=C(O)CC[C@@H]1CCc2ccccc21 Amb27865599 [1,0,0,0,0,0|1,0,2]=4 82 B15R2.6 O=C(O)CC[NH+]1C=Nc2ccccc21 Amb4302532 [1,0,0,0,0,0|1,0,1]=3 83 B15R2.6 O=C(O)CC[n+]1csc2ccccc21 Amb4017250 [1,0,0,0,0,0|2,0,0]=3 84 B15R2.6 O=C(O)CCc1ccn2cnccc12 Amb18819664 [1,0,0,0,0,0|3,0,0]=4 85 B15R2.6 O=C(O)CCc1cnc2ccccn12 Amb17127695 [1,0,0,0,0,0|1,0,1]=3 86 B15R2.6 O=C(O)CCc1cnc2cnccn12 Amb32724651 [1,0,0,0,0,0|2,0,1]=4 87 B15R2.6 O=C(O)CCc1cnn2ccccc12 Amb25806764 [1,0,0,0,0,0|1,0,1]=3 88 B15R2.6 O=C(O)CCc1cnn2ccncc12 Amb33470137 [1,0,0,0,0,0|2,0,1]=4 89 B15R2.6 O=C(O)CCc1csc2ccccc12 Amb18995289 [1,0,0,0,0,0|1,0,0]=2 90 B15R2.6 O=C(O)CCc1ncc2ccccn12 Amb1141877 [1,0,0,0,0,0|3,0,0]=4 91 B15R2.6 O=C(O)CCc1ncn2ccccc12 Amb17052846 [1,0,0,0,0,0|3,0,0]=4 92 B15R2.6 O=C(O)CCc1nnc2ccccn12 Amb10875228 [1,0,0,0,0,0|2,0,1]=4 93 B15R2.6 O=C(O)CCc1noc2ccccc12 Amb18818911 [1,0,0,0,0,0|2,0,0]=3 94 B15R2.6 O=C(O)CCc1noc2ncccc12 Amb27221970 [1,0,0,0,0,0|3,0,0]=4 95 B15R2.6 O=C(O)CCc1onc2ccccc12 Amb18818950 [1,0,0,0,0,0|1,0,1]=3 96 B15R2.6 O=C(O)CCn1ccc2ccccc21 Amb1215762 [1,0,0,0,0,0|2,0,0]=3 97 B15R2.6 O=C(O)CCn1ccc2cccnc21 Amb21921525 [1,0,0,0,0,0|3,0,0]=4 98 B15R2.6 O=C(O)CCn1ccc2cnccc21 Amb27778594 [1,0,0,0,0,0|3,0,0]=4 99 B15R2.6 O=C(O)CCn1cnc2ccccc21 Amb1099400 [1,0,0,0,0,0|1,0,1]=3 100 B15R2.6 O=C(O)CCn1cnc2ccccc21 Amb1292760 [1,0,0,0,0,0|1,0,1]=3 101 B15R2.6 O=C(O)CCn1cnc2ccccc21 Amb22492319 [1,0,0,0,0,0|1,0,1]=3 102 B15R2.6 O=C(O)CCn1cnc2cccnc21 Amb18917199 [1,0,0,0,0,0|2,0,1]=4 103 B15R2.6 O=C(O)CCn1ncc2ccccc21 Amb2721982 [1,0,0,0,0,0|3,0,0]=4 104 B15R2.6 O=C(O)CCn1nnc2ccccc21 Amb1040365 [1,0,0,0,0,0|2,0,1]=4 105 B15R2.6 O=C(O)CNc1nsc2ccccc12 Amb2372428 [1,0,0,0,0,0|3,0,0]=4 106 B15R2.6 O=C(O)COc1cnc2ccccn12 Amb33146258 [1,0,0,0,0,0|2,0,1]=4 107 B15R2.6 O=C(O)COc1cnn2ccccc12 Amb33146813 [1,0,0,0,0,0|2,0,1]=4 108 B15R2.6 O=C(O)COc1csc2ccccc12 Amb26382826 [1,0,0,0,0,0|2,0,0]=3 109 B15R2.6 O=C(O)COc1noc2ccccc12 Amb18816808 [1,0,0,0,0,0|3,0,0]=4 110 B15R2.6 O=C(O)COc1nsc2ccccc12 Amb18776031 [1,0,0,0,0,0|3,0,0]=4 111 B15R2.6 O=C(O)COc1snc2ccccc12 Amb27804418 [1,0,0,0,0,0|2,0,1]=4 112 B15R2.6 O=C(O)CSC1C=Nc2ccccc21 Amb27957620 [1,0,0,0,0,0|1,0,2]=4 113 B15R2.6 O=C(O)\C=C\c1coc2ccccc12 Amb18649743 [1,0,0,0,0,0|1,0,2]=4 114 B15R2.6 O=C(O)\C=C\c1csc2ccccc12 Amb33799931 [1,0,0,0,0,0|1,0,2]=4 115 B15R2.6 O=[N+]([O-])CCc1csc2ccccc12 Amb26527794 [1,0,0,0,0,0|2,0,1]=4 116 B17R2.7 CNC(=O)C(N)Cc1coc2ccccc12 Amb33229634 [0,1,0,0,0,0|2,0,0]=3 117 B17R2.7 COC(=O)C(N)Cc1coc2ccccc12 Amb32656251 [0,1,0,0,0,0|1,0,0]=2 118 B17R2.7 COC(=O)C(N)Cc1coc2ccccc12 Amb33803379 [0,1,0,0,0,0|1,0,0]=2 119 B17R2.7 COC(=O)C(N)Cc1csc2ccccc12 Amb18135741 [0,1,0,0,0,0|1,0,0]=2 120 B17R2.7 COC(=O)C(N)Cn1ccc2cccnc21 Amb33738718 [0,1,0,0,0,0|3,0,0]=4 121 B17R2.7 COC(=O)C(N)Cn1cnc2ccccc21 Amb32645709 [0,1,0,0,0,0|1,0,1]=3 122 B17R2.7 COC(=O)C(N)Cn1ncc2ccccc21 Amb19021214 [0,1,0,0,0,0|3,0,0]=4 123 B17R2.7 COC(=O)C(O)Cc1cnc2ccccn12 Amb33147005 [0,1,0,0,0,0|2,0,1]=4 124 B17R2.7 COC(=O)C(O)Cc1cnn2ccccc12 Amb33226645 [0,1,0,0,0,0|2,0,1]=4 125 B17R2.7 COC(=O)C(O)Cc1csc2ccccc12 Amb33474338 [0,1,0,0,0,0|2,0,0]=3 126 B17R2.138 CC(C)(Cc1cnc2ccccn12)C(=O)O Amb33274055 [0,1,0,0,0,0|2,0,1]=4 127 B17R2.138 CC(C)(Cc1cnn2ccccc12)C(=O)O Amb33147460 [0,1,0,0,0,0|2,0,1]=4 128 B17R2.138 CC(C)(Cc1csc2ccccc12)C(=O)O Amb33474021 [0,1,0,0,0,0|2,0,0]=3 129 B17R2.138 CC(N)(Cn1cnc2ccccc21)C(=O)O Amb18984345 [0,1,0,0,0,0|1,0,1]=3 130 B17R2.138 CC(N)(Cn1cnc2ccccc21)C(N)=O Amb18984347 [0,1,0,0,0,0|2,0,1]=4 131 B17R2.138 CC(N)(Cn1ncc2ccccc21)C(=O)O Amb18989251 [0,1,0,0,0,0|3,0,0]=4 132 B17R2.138 CC(O)(Cc1cnc2ccccn12)C(=O)O Amb33146750 [0,1,0,0,0,0|2,0,1]=4 133 B17R2.138 CC(O)(Cc1cnn2ccccc12)C(=O)O Amb33147125 [0,1,0,0,0,0|2,0,1]=4 134 B17R2.138 CC(O)(Cc1csc2ccccc12)C(=O)O Amb33312625 [0,1,0,0,0,0|2,0,0]=3 135 B17R2.138 O=C(O)C(F)(F)Cc1cnc2ccccn12 Amb33405037 [0,1,0,0,0,0|2,0,1]=4 136 B17R2.138 O=C(O)C(F)(F)Cc1cnn2ccccc12 Amb33402422 [0,1,0,0,0,0|2,0,1]=4 137 B17R2.138 O=C(O)C(F)(F)Cc1coc2ccccc12 Amb33349728 [0,1,0,0,0,0|2,0,0]=3 138 B17R2.138 O=C(O)C(F)(F)Cc1csc2ccccc12 Amb33400946 [0,1,0,0,0,0|2,0,0]=3 139 B17R2.289 CNC(Cn1cnc2ccccc21)C(=O)O Amb33349776 [0,1,0,0,0,0|1,0,1]=3 140 B17R2.289 CNC(Cn1cnc2ccccc21)C(N)=O Amb33350253 [0,1,0,0,0,0|2,0,1]=4 141 B17R2.289 CNC(Cn1ncc2ccccc21)C(=O)O Amb19021213 [0,1,0,0,0,0|3,0,0]=4 142 B17R2.289 COC(Cc1cnc2ccccn12)C(=O)O Amb33146696 [0,1,0,0,0,0|2,0,1]=4 143 B17R2.289 COC(Cc1cnn2ccccc12)C(=O)O Amb33147130 [0,1,0,0,0,0|2,0,1]=4 144 B17R2.289 COC(Cc1csc2ccccc12)C(=O)O Amb33312659 [0,1,0,0,0,0|2,0,0]=3 145 B17R2.5003 CC(Cc1c2ccccc2nn1C)C(=O)O Amb33314279 [0,1,0,0,0,0|2,0,1]=4 146 B17R2.5003 Cc1nc2ccccc2n1CC(C)C(=O)O Amb9762761 [0,1,0,0,0,0|2,0,1]=4 147 B17R2.5003 Cc1nc2ccccc2n1CC(N)C(=O)O Amb18984340 [0,1,0,0,0,0|1,0,1]=3 148 B17R2.5003 Cc1nc2ccccc2n1CC(N)C(N)=O Amb18984339 [0,1,0,0,0,0|2,0,1]=4 149 B17R2.5003 Cc1nc2ccccn2c1CC(O)C(=O)O Amb33353465 [0,1,0,0,0,0|2,0,1]=4 150 B17R2.5003 Cc1oc2ccccc2c1CC(O)C(=O)O Amb33353350 [0,1,0,0,0,0|2,0,0]=3 151 B17R2.5003 Cn1nc2ccccc2c1CC(N)C(=O)O Amb33079897 [0,1,0,0,0,0|1,0,1]=3 152 B17R2.5003 Cn1nc2ccccc2c1CC(O)C(=O)O Amb33312018 [0,1,0,0,0,0|2,0,1]=4 153 B17R2.5003 NC(CC1C(=O)Nc2ccccc21)C(=O)O Amb6316202 [0,1,0,0,0,0|0,0,1]=2 154 B17R2.25461 NC(Cc1csc2ccc(Cl)cc12)C(=O)O Amb2752248 [0,1,0,0,0,0|1,0,0]=2 155 B17R2.37147 Cc1cccc2c(CC(N)C(=O)O)coc12 Amb35788218 [0,1,0,0,0,0|1,0,0]=2 156 B17R2.37147 Cc1cccc2c(CC(N)C(=O)O)coc12 Amb35789122 [0,1,0,0,0,0|1,0,0]=2 157 B17R2.45515 CC(C(N)C(=O)O)n1cnc2ccccc21 Amb32936877 [0,1,0,0,0,0|1,0,1]=3 158 B17R2.45515 CC(C(N)C(=O)O)n1ncc2ccccc21 Amb32936876 [0,1,0,0,0,0|3,0,0]=4 159 B17R2.45515 CC(C(N)C(N)=O)n1cnc2ccccc21 Amb32936901 [0,1,0,0,0,0|2,0,1]=4 160 B17R2.45515 NC(C(=O)O)C(O)C1CCc2ccccc21 Amb33145750 [0,1,0,0,0,0|1,0,2]=4 161 B17R2.45515 NC(C(=O)O)C(O)c1cnc2ccccn12 Amb18765245 [0,1,0,0,0,0|1,0,1]=3 162 B17R2.45515 NC(C(=O)O)C(O)c1cnc2cnccn12 Amb32724398 [0,1,0,0,0,0|2,0,1]=4 163 B17R2.45515 NC(C(=O)O)C(O)c1cnn2ccccc12 Amb33147894 [0,1,0,0,0,0|1,0,1]=3 164 B17R2.45515 NC(C(=O)O)C(O)c1csc2ccccc12 Amb33358593 [0,1,0,0,0,0|1,0,0]=2 165 B17R2.78536 CC(=O)C(C)Cc1cn(C)c2ccccc12 Amb18866645 [0,1,0,0,0,0|2,0,0]=3 166 B17R2.78536 CC(Cc1cn(C)c2ccccc12)C(=O)O Amb10844275 [0,1,0,0,0,0|1,0,0]=2 167 B17R2.78536 CC(Cc1cn(C)c2ncccc12)C(=O)O Amb32881064 [0,1,0,0,0,0|2,0,0]=3 168 B17R2.78536 CC(Cc1nn(C)c2ccccc12)C(=O)O Amb33358403 [0,1,0,0,0,0|2,0,0]=3 169 B17R2.78536 CC(Oc1nn(C)c2ccccc12)C(=O)O Amb23560581 [0,1,0,0,0,0|3,0,0]=4 170 B17R2.78536 Cn1cc(CC(=O)C(=O)O)c2ccccc21 Amb33474725 [0,1,0,0,0,0|1,0,1]=3 171 B17R2.78536 Cn1cc(CC(=O)C(=O)O)c2cccnc21 Amb32880867 [0,1,0,0,0,0|2,0,1]=4 172 B17R2.78536 Cn1cc(CC(N)C(=O)O)c2ccccc21 Amb3941506 [0,1,0,0,0,0|0,0,0]=1 173 B17R2.78536 Cn1cc(CC(N)C(=O)O)c2cccnc21 Amb33449863 [0,1,0,0,0,0|1,0,0]=2 174 B17R2.78536 Cn1cc(CC(N)C(F)F)c2ccccc21 Amb32748586 [0,1,0,0,0,0|2,0,1]=4 175 B17R2.78536 Cn1cc(CC(O)C(=O)O)c2ccccc21 Amb33474125 [0,1,0,0,0,0|1,0,0]=2 176 B17R2.78536 Cn1cc(CC(O)C(=O)O)c2cccnc21 Amb32880459 [0,1,0,0,0,0|2,0,0]=3 177 B17R2.78536 Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21 Amb3941563 [0,1,0,0,0,0|0,0,0]=1 178 B17R2.78536 Cn1cc(C[C@@H](N)C(=O)O)c2cccnc21 Amb34163469 [0,1,0,0,0,0|1,0,0]=2 179 B17R2.78536 Cn1cc(C[C@H](N)C(=O)O)c2ccccc21 Amb2714828 [0,1,0,0,0,0|0,0,0]=1 180 B17R2.78536 Cn1cc(C[C@H](N)C(=O)O)c2cccnc21 Amb34137543 [0,1,0,0,0,0|1,0,0]=2 181 B17R2.78536 Cn1nc(CC(=O)C(=O)O)c2ccccc21 Amb33197026 [0,1,0,0,0,0|2,0,1]=4 182 B17R2.78536 Cn1nc(CC(N)C(=O)O)c2ccccc21 Amb32954130 [0,1,0,0,0,0|1,0,0]=2 183 B17R2.78536 Cn1nc(CC(O)C(=O)O)c2ccccc21 Amb32954277 [0,1,0,0,0,0|2,0,0]=3 184 B15R1.87 COc1ccccc1CCC(N)C(=O)O Amb17471347 [0,0,1,0,0,0|1,0,2]=4 185 B15R1.87 COc1ccccc1CC[C@@H](N)C(=O)O Amb34158244 [0,0,1,0,0,0|1,0,2]=4 186 B15R1.87 COc1ccccc1CC[C@H](N)C(=O)O Amb34913211 [0,0,1,0,0,0|1,0,2]=4 187 B15R1.87 N#Cc1ccccc1NCC(N)C(=O)O Amb27961002 [0,0,1,0,0,0|3,0,0]=4 188 B15R1.3664 NC(CCOCc1ccccc1)C(=O)O Amb25857076 [0,0,1,0,0,0|2,0,1]=4 189 B15R1.3664 NC(CSCCc1ccccc1)C(=O)O Amb9726827 [0,0,1,0,0,0|2,0,1]=4 190 B15R1.3664 N[C@@H](CCCCc1ccccc1)C(=O)O Amb34157766 [0,0,1,0,0,0|1,0,2]=4 191 B15R1.3664 N[C@@H](CCOCc1ccccc1)C(=O)O Amb16183871 [0,0,1,0,0,0|2,0,1]=4 192 B15R1.3664 N[C@H](CCCCc1ccccc1)C(=O)O Amb34912486 [0,0,1,0,0,0|1,0,2]=4 193 B15R1.3664 N[C@H](CCOCc1ccccc1)C(=O)O Amb16183869 [0,0,1,0,0,0|2,0,1]=4 194 B15R1.5793 CC(CC(=O)c1ccccc1Cl)C(=O)O Amb17247466 [0,0,1,0,0,0|3,0,0]=4 195 B15R1.5793 CC(CC(=O)c1ccccc1F)C(=O)O Amb17240511 [0,0,1,0,0,0|3,0,0]=4 196 B15R1.5793 Cc1ccccc1C(=O)CC(C)C(=O)O Amb10844303 [0,0,1,0,0,0|3,0,0]=4 197 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(=O)O Amb22002698 [0,0,1,0,0,0|1,0,0]=2 198 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(=O)O Amb2715375 [0,0,1,0,0,0|1,0,0]=2 199 B15R1.5793 Nc1ccccc1C(=O)C[C@@H](N)C(=O)O Amb28974629 [0,0,1,0,0,0|1,0,0]=2 200 B15R1.5793 Nc1ccccc1C(=O)C[C@H](N)C(=O)O Amb22352658 [0,0,1,0,0,0|1,0,0]=2 201 B15R1.5793 Nc1ccccc1C(=O)C[C@H](N)C(=O)O Amb6600079 [0,0,1,0,0,0|1,0,0]=2 202 B17R3.64991 O=C(O)C1CC1c2cnc3ccccn23 Amb33274530 [0,0,0,1,0,0|2,0,1]=4 203 B17R3.64991 O=C(O)C1CC1c2cnn3ccccc23 Amb23449124 [0,0,0,1,0,0|2,0,1]=4 204 B17R3.64991 O=C(O)C1CC1c2csc3ccccc23 Amb24715211 [0,0,0,1,0,0|2,0,0]=3 205 B17R3.64991 O=C(O)[C@@H]1C[C@H]1c2cnc3ccccn23 Amb33274411 [0,0,0,1,0,0|2,0,1]=4 206 B17R3.64991 O=C(O)[C@@H]1C[C@H]1c2cnn3ccccc23 Amb33148729 [0,0,0,1,0,0|2,0,1]=4 207 B17R3.64991 O=C(O)[C@@H]1C[C@H]1c2csc3ccccc23 Amb33313036 [0,0,0,1,0,0|2,0,0]=3 208 B17R3.65033 O=C(O)C1Cc2nc3ccccc3n2C1 Amb18787097 [0,0,0,1,0,0|2,0,1]=4 209 B15R2.1255 C=C(C(=O)O)c1csc2ccccc12 Amb33312695 [0,0,0,0,1,0|2,0,1]=4 210 B15R2.1255 C=C(C)C(N)c1csc2ccccc12 Amb27196119 [0,0,0,0,1,0|3,0,0]=4 211 B15R2.1255 CC(=O)C(N)c1csc2ccccc12 Amb27239947 [0,0,0,0,1,0|2,0,0]=3 212 B15R2.1255 CC(C(=O)O)c1cnc2ccccn12 Amb33225718 [0,0,0,0,1,0|2,0,1]=4 213 B15R2.1255 CC(C(=O)O)c1cnn2ccccc12 Amb26850951 [0,0,0,0,1,0|2,0,1]=4 214 B15R2.1255 CC(C(=O)O)c1coc2ccccc12 Amb18191020 [0,0,0,0,1,0|2,0,0]=3 215 B15R2.1255 CC(C(=O)O)c1csc2ccccc12 Amb25198652 [0,0,0,0,1,0|2,0,0]=3 216 B15R2.1255 CC(C(=O)O)n1ccc2ccccc21 Amb839771 [0,0,0,0,1,0|3,0,0]=4 217 B15R2.1255 CC(C(=O)O)n1cnc2ccccc21 Amb1099031 [0,0,0,0,1,0|2,0,1]=4 218 B15R2.1255 CC(C(=O)O)n1cnc2ccccc21 Amb5502245 [0,0,0,0,1,0|2,0,1]=4 219 B15R2.1255 CC(O)C(N)c1coc2ccccc12 Amb27750442 [0,0,0,0,1,0|2,0,1]=4 220 B15R2.1255 CC(O)[C@@H](N)c1csc2ccccc12 Amb27182832 [0,0,0,0,1,0|2,0,1]=4 221 B15R2.1255 C[C@@H](C(=O)O)n1ccc2ccccc21 Amb28134617 [0,0,0,0,1,0|3,0,0]=4 222 B15R2.1255 C[C@@H](C(=O)O)n1cnc2ccccc21 Amb27875836 [0,0,0,0,1,0|2,0,1]=4 223 B15R2.1255 C[C@H](C(=O)O)n1ccc2ccccc21 Amb26019554 [0,0,0,0,1,0|3,0,0]=4 224 B15R2.1255 C[C@H](C(=O)O)n1cnc2ccccc21 Amb27646018 [0,0,0,0,1,0|2,0,1]=4 225 B15R2.1255 C[C@H](O)[C@@H](N)c1csc2ccccc12 Amb28241092 [0,0,0,0,1,0|2,0,1]=4 226 B15R2.1255 NC(=O)C(Cl)c1csc2ccccc12 Amb27795422 [0,0,0,0,1,0|3,0,0]=4 227 B15R2.1255 NC(=O)C(O)c1csc2ccccc12 Amb27759799 [0,0,0,0,1,0|3,0,0]=4 228 B15R2.1255 NC(C(=O)O)C1CCc2ccccc21 Amb20171617 [0,0,0,0,1,0|1,0,2]=4 229 B15R2.1255 NC(C(=O)O)C1CCc2ccccc21 Amb33338864 [0,0,0,0,1,0|1,0,2]=4 230 B15R2.1255 NC(C(=O)O)c1cnc2ccccn12 Amb33274794 [0,0,0,0,1,0|1,0,1]=3 231 B15R2.1255 NC(C(=O)O)c1cnc2cnccn12 Amb32724649 [0,0,0,0,1,0|2,0,1]=4 232 B15R2.1255 NC(C(=O)O)c1cnn2ccccc12 Amb26038819 [0,0,0,0,1,0|1,0,1]=3 233 B15R2.1255 NC(C(=O)O)c1cnn2ncccc12 Amb25186008 [0,0,0,0,1,0|2,0,1]=4 234 B15R2.1255 NC(C(=O)O)c1csc2ccccc12 Amb3903757 [0,0,0,0,1,0|1,0,0]=2 235 B15R2.1255 N[C@@H](C(=O)O)c1coc2ccccc12 Amb27593582 [0,0,0,0,1,0|1,0,0]=2 236 B15R2.1255 N[C@H](C(=O)O)[C@H]1CCc2ccccc21 Amb27983631 [0,0,0,0,1,0|1,0,2]=4 237 B15R2.1255 O=C(O)C(=O)c1csc2ccccc12 Amb9210537 [0,0,0,0,1,0|2,0,1]=4 238 B15R2.1255 O=C(O)C(Br)c1noc2ccccc12 Amb18137167 [0,0,0,0,1,0|3,0,0]=4 239 B15R2.1255 O=C(O)C(F)c1coc2ccccc12 Amb32713410 [0,0,0,0,1,0|2,0,0]=3 240 B15R2.1255 O=C(O)C(F)n1ccc2ccccc21 Amb28072384 [0,0,0,0,1,0|3,0,0]=4 241 B15R2.1255 O=C(O)C(F)n1cnc2ccccc21 Amb27173861 [0,0,0,0,1,0|2,0,1]=4 242 B15R2.1255 O=C(O)C(O)c1cnc2ccccn12 Amb33274532 [0,0,0,0,1,0|2,0,1]=4 243 B15R2.1255 O=C(O)C(O)c1cnn2ccccc12 Amb33148242 [0,0,0,0,1,0|2,0,1]=4 244 B15R2.1255 O=C(O)C(O)c1coc2ccccc12 Amb27799769 [0,0,0,0,1,0|2,0,0]=3 245 B15R2.1255 O=C(O)C(O)c1csc2ccccc12 Amb18963400 [0,0,0,0,1,0|2,0,0]=3 246 B15R2.1255 O=C(O)C(O)n1ccc2ccccc21 Amb27477961 [0,0,0,0,1,0|3,0,0]=4 247 B15R2.1255 O=C(O)[C@H](O)c1coc2ccccc12 Amb28118883 [0,0,0,0,1,0|2,0,0]=3 248 B15R2.107888 NC(CC1Cc2ccccc21)C(=O)O Amb28239447 [0,0,0,0,1,0|0,0,2]=3 249 B15R2.107888 O=C(O)C(O)CC1Cc2ccccc21 Amb27621209 [0,0,0,0,1,0|1,0,2]=4 250 B17R2.16 CC(CCc1cnc2ccccn12)C(=O)O Amb33146741 [0,0,0,0,0,1|2,0,1]=4 251 B17R2.16 CC(CCc1cnn2ccccc12)C(=O)O Amb33146838 [0,0,0,0,0,1|2,0,1]=4 252 B17R2.16 CC(CCc1csc2ccccc12)C(=O)O Amb33359681 [0,0,0,0,0,1|2,0,0]=3 253 B17R2.16 NC(=O)C(N)CCn1cnc2ccccc21 Amb19036898 [0,0,0,0,0,1|2,0,1]=4 254 B17R2.16 NC(CCn1cnc2ccccc21)C(=O)O Amb19036897 [0,0,0,0,0,1|1,0,1]=3 255 B17R2.16 NC(CCn1ncc2ccccc21)C(=O)O Amb19036908 [0,0,0,0,0,1|3,0,0]=4 256 B17R2.16 O=C(O)C(=O)NCC1=CCc2ccccc21 Amb31159978 [0,0,0,0,0,1|2,0,1]=4 257 B17R2.39 NC(CC(=O)O)Cc1cnc2ccccn12 Amb18168509 [0,0,0,0,0,1|1,0,1]=3 258 B17R2.39 N[C@@H](CC(=O)O)Cc1csc2ccccc12 Amb33726045 [0,0,0,0,0,1|1,0,0]=2 259 B17R2.39 N[C@H](CC(=O)O)Cc1csc2ccccc12 Amb10603270 [0,0,0,0,0,1|1,0,0]=2 260 B17R2.9167 CC(Cc1ccc2ccccc2c1)C(=O)O Amb33474978 [0,0,0,0,0,1|2,0,0]=3 261 B17R2.9167 CC(Cc1ccc2ccccc2n1)C(=O)O Amb17579671 [0,0,0,0,0,1|2,0,0]=3 262 B17R2.9167 CC(Cc1ccc2cccnc2c1)C(=O)O Amb33358598 [0,0,0,0,0,1|3,0,0]=4 263 B17R2.9167 CC(Cc1ccc2ncccc2c1)C(=O)O Amb33449163 [0,0,0,0,0,1|3,0,0]=4 264 B17R2.9167 CC(Cc1cnc2ccccc2c1)C(=O)O Amb33358349 [0,0,0,0,0,1|1,0,1]=3 265 B17R2.9167 CC(Cc1cnc2ccccc2n1)C(=O)O Amb32652409 [0,0,0,0,0,1|1,0,1]=3 266 B17R2.9167 CC(Oc1ccc2ccccc2c1)C(=O)O Amb5716787 [0,0,0,0,0,1|3,0,0]=4 267 B17R2.9167 C[C@@H](Cc1ccc2ccccc2c1)C(=O)O Amb10843997 [0,0,0,0,0,1|2,0,0]=3 268 B17R2.9167 C[C@@H](Cc1ccc2ccccc2n1)C(=O)O Amb33744354 [0,0,0,0,0,1|2,0,0]=3 269 B17R2.9167 C[C@@H](Cc1ccc2cccnc2c1)C(=O)O Amb33728822 [0,0,0,0,0,1|3,0,0]=4 270 B17R2.9167 C[C@@H](Cc1cnc2ccccc2c1)C(=O)O Amb33728380 [0,0,0,0,0,1|1,0,1]=3 271 B17R2.9167 C[C@H](Cc1ccc2ccccc2c1)C(=O)O Amb10843996 [0,0,0,0,0,1|2,0,0]=3 272 B17R2.9167 C[C@H](Cc1ccc2ccccc2n1)C(=O)O Amb33747384 [0,0,0,0,0,1|2,0,0]=3 273 B17R2.9167 C[C@H](Cc1ccc2cccnc2c1)C(=O)O Amb33729019 [0,0,0,0,0,1|3,0,0]=4 274 B17R2.9167 C[C@H](Cc1cnc2ccccc2c1)C(=O)O Amb33730916 [0,0,0,0,0,1|1,0,1]=3 275 B17R2.9167 C[C@H](Oc1ccc2ccccc2c1)C(=O)O Amb28872867 [0,0,0,0,0,1|3,0,0]=4 276 B17R2.9167 NC(CC1COc2ccccc2C1)C(=O)O Amb33226291 [0,0,0,0,0,1|1,0,2]=4 277 B17R2.9167 NC(CC1COc2ccccc2O1)C(=O)O Amb33079312 [0,0,0,0,0,1|1,0,2]=4 278 B17R2.9167 NC(Cc1ccc2ccccc2c1)C(=O)O Amb2683259 [0,0,0,0,0,1|1,0,0]=2 279 B17R2.9167 NC(Cc1ccc2ccccc2n1)C(=O)O Amb3789267 [0,0,0,0,0,1|1,0,0]=2 280 B17R2.9167 NC(Cc1ccc2cccnc2c1)C(=O)O Amb33079407 [0,0,0,0,0,1|2,0,0]=3 281 B17R2.9167 NC(Cc1ccc2ncccc2c1)C(=O)O Amb6743336 [0,0,0,0,0,1|2,0,0]=3 282 B17R2.9167 NC(Cc1cnc2ccccc2c1)C(=O)O Amb22799637 [0,0,0,0,0,1|0,0,1]=2 283 B17R2.9167 NC(Cc1cnc2ccccc2c1)C(=O)O Amb33742272 [0,0,0,0,0,1|0,0,1]=2 284 B17R2.9167 NC(Cc1cnc2ccccc2n1)C(=O)O Amb3789278 [0,0,0,0,0,1|0,0,1]=2 285 B17R2.9167 NC(Cc1cnc2nccnc2c1)C(=O)O Amb32665876 [0,0,0,0,0,1|2,0,1]=4 286 B17R2.9167 N[C@@H](Cc1ccc2ccccc2c1)C(=O)O Amb8515817 [0,0,0,0,0,1|1,0,0]=2 287 B17R2.9167 N[C@@H](Cc1ccc2ccccc2c1)C(=O)O Amb8627709 [0,0,0,0,0,1|1,0,0]=2 288 B17R2.9167 N[C@@H](Cc1ccc2ccccc2n1)C(=O)O Amb2698794 [0,0,0,0,0,1|1,0,0]=2 289 B17R2.9167 N[C@@H](Cc1cnc2ccccc2c1)C(=O)O Amb19373980 [0,0,0,0,0,1|0,0,1]=2 290 B17R2.9167 N[C@@H](Cc1cnc2nccnc2c1)C(=O)O Amb30526690 [0,0,0,0,0,1|2,0,1]=4 291 B17R2.9167 N[C@H](Cc1ccc2ccccc2c1)C(=O)O Amb19930508 [0,0,0,0,0,1|1,0,0]=2 292 B17R2.9167 N[C@H](Cc1ccc2ccccc2c1)C(=O)O Amb6356358 [0,0,0,0,0,1|1,0,0]=2 293 B17R2.9167 N[C@H](Cc1ccc2ccccc2n1)C(=O)O Amb2698795 [0,0,0,0,0,1|1,0,0]=2 294 B17R2.9167 O=C(O)C(=O)Cc1ccc2ccccc2c1 Amb33543279 [0,0,0,0,0,1|2,0,1]=4 295 B17R2.9167 O=C(O)C(=O)Cc1ccc2ccccc2n1 Amb232173 [0,0,0,0,0,1|2,0,1]=4 296 B17R2.9167 O=C(O)C(=O)Cc1cnc2ccccc2c1 Amb33324993 [0,0,0,0,0,1|1,0,2]=4 297 B17R2.9167 O=C(O)C(=O)Cc1cnc2ccccc2n1 Amb32954691 [0,0,0,0,0,1|1,0,2]=4 298 B17R2.9167 O=C(O)C(O)Cc1ccc2ccccc2c1 Amb33353459 [0,0,0,0,0,1|2,0,0]=3 299 B17R2.9167 O=C(O)C(O)Cc1ccc2ccccc2n1 Amb33353328 [0,0,0,0,0,1|2,0,0]=3 300 B17R2.9167 O=C(O)C(O)Cc1ccc2cccnc2c1 Amb32879507 [0,0,0,0,0,1|3,0,0]=4 301 B17R2.9167 O=C(O)C(O)Cc1ccc2ncccc2c1 Amb33079360 [0,0,0,0,0,1|3,0,0]=4 302 B17R2.9167 O=C(O)C(O)Cc1ccc2ncccc2c1 Amb35789307 [0,0,0,0,0,1|3,0,0]=4 303 B17R2.9167 O=C(O)C(O)Cc1cnc2ccccc2c1 Amb33079838 [0,0,0,0,0,1|1,0,1]=3 304 B17R2.9167 O=C(O)C(O)Cc1cnc2ccccc2n1 Amb33377783 [0,0,0,0,0,1|1,0,1]=3 305 B17R2.9167 O=C(O)[C@@H](O)Cc1ccc2ccccc2c1 Amb33347461 [0,0,0,0,0,1|2,0,0]=3 306 B17R2.9167 O=C([O-])C(O)Cc1ccc2ccccc2n1 Amb35746581 [0,0,0,0,0,1|2,0,1]=4 307 B17R2.520754 CC(Cc1cccc2ccccc12)C(=O)O Amb20224016 [0,0,0,0,0,1|2,0,0]=3 308 B17R2.520754 CC(Cc1cccc2cnccc12)C(=O)O Amb33359705 [0,0,0,0,0,1|3,0,0]=4 309 B17R2.520754 CC(Cc1ccnc2ccccc12)C(=O)O Amb32954195 [0,0,0,0,0,1|1,0,1]=3 310 B17R2.520754 CC(Cc1cncc2ccccc12)C(=O)O Amb28872829 [0,0,0,0,0,1|1,0,1]=3 311 B17R2.520754 CC(Cc1cncc2ccccc12)C(=O)O Amb32653167 [0,0,0,0,0,1|1,0,1]=3 312 B17R2.520754 CC(Nc1nccc2ccccc12)C(=O)O Amb19098711 [0,0,0,0,0,1|3,0,0]=4 313 B17R2.520754 CC(Nc1ncnc2ccccc12)C(=O)O Amb17740099 [0,0,0,0,0,1|2,0,1]=4 314 B17R2.520754 CC(Nc1ncnc2ccccc12)C(=O)O Amb2692836 [0,0,0,0,0,1|2,0,1]=4 315 B17R2.520754 CC(Oc1cccc2ccccc12)C(=O)O Amb5716786 [0,0,0,0,0,1|3,0,0]=4 316 B17R2.520754 CC(Oc1nccc2ccccc12)C(=O)O Amb32670833 [0,0,0,0,0,1|3,0,0]=4 317 B17R2.520754 C[C@@H](Cc1cccc2ccccc12)C(=O)O Amb10843995 [0,0,0,0,0,1|2,0,0]=3 318 B17R2.520754 C[C@@H](Cc1ccnc2ccccc12)C(=O)O Amb33749537 [0,0,0,0,0,1|1,0,1]=3 319 B17R2.520754 C[C@@H](Cc1cncc2ccccc12)C(=O)O Amb33728381 [0,0,0,0,0,1|1,0,1]=3 320 B17R2.520754 C[C@H](Cc1cccc2ccccc12)C(=O)O Amb10843994 [0,0,0,0,0,1|2,0,0]=3 321 B17R2.520754 C[C@H](Cc1ccnc2ccccc12)C(=O)O Amb33727766 [0,0,0,0,0,1|1,0,1]=3 322 B17R2.520754 C[C@H](Cc1cncc2ccccc12)C(=O)O Amb33730917 [0,0,0,0,0,1|1,0,1]=3 323 B17R2.520754 C[C@H](Oc1ccnc2ccccc12)C(=O)O Amb34913965 [0,0,0,0,0,1|2,0,1]=4 324 B17R2.520754 NC(CN1CCCc2ccccc21)C(=O)O Amb33282446 [0,0,0,0,0,1|2,0,1]=4 325 B17R2.520754 NC(Cc1cccc2ccccc12)C(=O)O Amb33038320 [0,0,0,0,0,1|1,0,0]=2 326 B17R2.520754 NC(Cc1cccc2ccccc12)C(=O)O Amb6256766 [0,0,0,0,0,1|1,0,0]=2 327 B17R2.520754 NC(Cc1cccc2cnccc12)C(=O)O Amb18770377 [0,0,0,0,0,1|2,0,0]=3 328 B17R2.520754 NC(Cc1ccnc2ccccc12)C(=O)O Amb3789264 [0,0,0,0,0,1|0,0,1]=2 329 B17R2.520754 NC(Cc1ncnc2ccccc12)C(=O)O Amb32665875 [0,0,0,0,0,1|0,0,1]=2 330 B17R2.520754 N[C@@H](Cc1cccc2ccccc12)C(=O)O Amb2719627 [0,0,0,0,0,1|1,0,0]=2 331 B17R2.520754 N[C@@H](Cc1cccc2ccccc12)C(=O)O Amb8383659 [0,0,0,0,0,1|1,0,0]=2 332 B17R2.520754 N[C@@H](Cc1cccc2cccnc12)C(=O)O Amb24085303 [0,0,0,0,0,1|2,0,0]=3 333 B17R2.520754 N[C@H](Cc1cccc2ccccc12)C(=O)O Amb8629292 [0,0,0,0,0,1|1,0,0]=2 334 B17R2.520754 N[C@H](Cc1cccc2cnccc12)C(=O)O Amb35745811 [0,0,0,0,0,1|2,0,0]=3 335 B17R2.520754 O=C(O)C(=O)Cc1cccc2ccccc12 Amb1138673 [0,0,0,0,0,1|2,0,1]=4 336 B17R2.520754 O=C(O)C(=O)Cc1ccnc2ccccc12 Amb33474524 [0,0,0,0,0,1|1,0,2]=4 337 B17R2.520754 O=C(O)C(O)Cc1cccc2ccccc12 Amb28872745 [0,0,0,0,0,1|2,0,0]=3 338 B17R2.520754 O=C(O)C(O)Cc1cccc2cnccc12 Amb32724674 [0,0,0,0,0,1|3,0,0]=4 339 B17R2.520754 O=C(O)C(O)Cc1ccnc2ccccc12 Amb32953381 [0,0,0,0,0,1|1,0,1]=3 340 B17R2.520754 O=C(O)[C@@H](O)Cc1cccc2ccccc12 Amb33347313 [0,0,0,0,0,1|2,0,0]=3 341 B14R1.161 Cc1ccccc1CCC(N)C(=O)O Amb17470839 [1,0,1,0,0,0|0,0,2]=4 342 B14R1.161 Cc1ccccc1CC[C@@H](N)C(=O)O Amb34155896 [1,0,1,0,0,0|0,0,2]=4 343 B14R1.161 Cc1ccccc1CC[C@H](N)C(=O)O Amb34157699 [1,0,1,0,0,0|0,0,2]=4 344 B14R1.161 NC(CCc1ccccc1Br)C(=O)O Amb17473600 [1,0,1,0,0,0|1,0,1]=4 345 B14R1.161 NC(CCc1ccccc1Cl)C(=O)O Amb17471477 [1,0,1,0,0,0|1,0,1]=4 346 B14R1.161 NC(CCc1ccccc1F)C(=O)O Amb17470953 [1,0,1,0,0,0|1,0,1]=4 347 B14R1.161 NC(CCc1ccccc1O)C(=O)O Amb33802215 [1,0,1,0,0,0|1,0,1]=4 348 B14R1.161 N[C@@H](CCc1ccccc1Cl)C(=O)O Amb33802149 [1,0,1,0,0,0|1,0,1]=4 349 B14R1.161 N[C@@H](CCc1ccccc1F)C(=O)O Amb34199376 [1,0,1,0,0,0|1,0,1]=4 350 B14R1.161 N[C@H](CCc1ccccc1F)C(=O)O Amb34198908 [1,0,1,0,0,0|1,0,1]=4 351 B14R1.161 Nc1ccccc1\C=C\C(N)C(=O)O Amb27252346 [1,0,1,0,0,0|0,0,1]=3 352 B14R1.415 CC(CC(=O)c1ccccc1)C(=O)O Amb3939945 [1,0,1,0,0,0|2,0,0]=4 353 B14R1.415 CC(CC(N)C(=O)O)c1ccccc1 Amb2696732 [1,0,1,0,0,0|0,0,2]=4 354 B14R1.415 CC(CC(N)C(=O)O)c1ccccc1 Amb31156574 [1,0,1,0,0,0|0,0,2]=4 355 B14R1.415 CN(CC(N)C(=O)O)c1ccccc1 Amb19079990 [1,0,1,0,0,0|1,0,1]=4 356 B14R1.415 CN(CC(N)C(=O)O)c1ccccc1 Amb33292428 [1,0,1,0,0,0|1,0,1]=4 357 B14R1.415 NC(CC(=O)c1ccccc1)C(=O)O Amb17470829 [1,0,1,0,0,0|1,0,0]=3 358 B14R1.415 NC(CC(=O)c1ccccc1)C(=O)O Amb6383360 [1,0,1,0,0,0|1,0,0]=3 359 B14R1.415 NC(CC(O)c1ccccc1)C(=O)O Amb28750788 [1,0,1,0,0,0|1,0,1]=4 360 B14R1.415 NC(CC(O)c1ccccc1)C(=O)O Amb32686917 [1,0,1,0,0,0|1,0,1]=4 361 B14R1.415 NC(NC(=O)c1ccccc1)C(=O)O Amb27659493 [1,0,1,0,0,0|2,0,0]=4 362 B14R1.415 N[C@@H](CC(=O)c1ccccc1)C(=O)O Amb23403688 [1,0,1,0,0,0|1,0,0]=3 363 B14R1.422 O=C(O)CCS\C=C\c1ccccc1 Amb2725415 [1,0,1,0,0,0|2,0,0]=4 364 B14R1.160 Cc1ccccc1C(=O)CCC(=O)O Amb2689620 [1,0,1,0,0,0|2,0,0]=4 365 B14R1.160 Nc1ccccc1C(=O)NCC(=O)O Amb30868136 [1,0,1,0,0,0|2,0,0]=4 366 B14R1.160 Nc1ccccc1C(=O)NCC(=O)O Amb445428 [1,0,1,0,0,0|2,0,0]=4 367 B14R1.160 O=C(O)CCC(=O)c1ccccc1Br Amb6305103 [1,0,1,0,0,0|2,0,0]=4 368 B14R1.160 O=C(O)CCC(=O)c1ccccc1Cl Amb6305598 [1,0,1,0,0,0|2,0,0]=4 369 B14R1.160 O=C(O)CCC(=O)c1ccccc1F Amb2699669 [1,0,1,0,0,0|2,0,0]=4 370 B14R1.160 O=C(O)CCC(=O)c1ccccc1I Amb6305286 [1,0,1,0,0,0|2,0,0]=4 371 B14R1.160 O=C(O)CCC(=O)c1ccccc1O Amb18651666 [1,0,1,0,0,0|2,0,0]=4 372 B14R2.2 CC(N)Cc1csc2ccccc12 Amb2237287 [2,0,0,0,0,0|1,0,1]=4 373 B14R2.2 CC(O)CC1=CCc2ccccc21 Amb27970563 [2,0,0,0,0,0|2,0,0]=4 374 B14R2.2 CC(O)Cc1coc2ccccc12 Amb28061306 [2,0,0,0,0,0|2,0,0]=4 375 B14R2.2 CC(O)Cc1csc2ccccc12 Amb26944427 [2,0,0,0,0,0|2,0,0]=4 376 B14R2.2 C[C@@H](N)Cc1csc2ccccc12 Amb33312707 [2,0,0,0,0,0|1,0,1]=4 377 B14R2.2 C[C@@H](O)Cc1csc2ccccc12 Amb33312704 [2,0,0,0,0,0|2,0,0]=4 378 B14R2.2 C[C@H](N)Cc1csc2ccccc12 Amb33312706 [2,0,0,0,0,0|1,0,1]=4 379 B14R2.2 C[C@H](O)Cc1csc2ccccc12 Amb33312705 [2,0,0,0,0,0|2,0,0]=4 380 B14R2.2 NC(=O)Cc1coc2ccccc12 Amb22039467 [2,0,0,0,0,0|1,0,1]=4 381 B14R2.2 NC(=O)Cc1csc2ccccc12 Amb25322207 [2,0,0,0,0,0|1,0,1]=4 382 B14R2.3 C=CCCc1coc2ccccc12 Amb35704125 [2,0,0,0,0,0|2,0,0]=4 383 B14R2.3 O=CCCc1cnc2ccccn12 Amb33146742 [2,0,0,0,0,0|1,0,1]=4 384 B14R2.3 O=CCCc1cnn2ccccc12 Amb33147783 [2,0,0,0,0,0|1,0,1]=4 385 B14R2.3 O=CCCc1coc2ccccc12 Amb28321950 [2,0,0,0,0,0|1,0,0]=3 386 B14R2.3 O=CCCc1csc2ccccc12 Amb26851937 [2,0,0,0,0,0|1,0,0]=3 387 B14R2.3 O=CCCn1ccc2ccccc21 Amb17074399 [2,0,0,0,0,0|2,0,0]=4 388 B14R2.3 OCCCc1coc2ccccc12 Amb25898468 [2,0,0,0,0,0|1,0,1]=4 389 B14R2.3 OCCCc1csc2ccccc12 Amb25138282 [2,0,0,0,0,0|1,0,1]=4 390 B16R1.4122 NC(CC(=O)NCc1ccccc1)C(=O)O Amb27164223 [0,1,1,0,0,0|2,0,0]=4 391 B16R1.4122 NC(CC(=O)OCc1ccccc1)C(=O)O Amb8390389 [0,1,1,0,0,0|2,0,0]=4 392 B16R1.4122 N[C@@H](CC(=O)NCc1ccccc1)C(=O)O Amb27857885 [0,1,1,0,0,0|2,0,0]=4 393 B16R1.4122 N[C@@H](CC(=O)OCc1ccccc1)C(=O)O Amb6356876 [0,1,1,0,0,0|2,0,0]=4 394 B16R1.4122 N[C@H](CC(=O)OCc1ccccc1)C(=O)O Amb2760428 [0,1,1,0,0,0|2,0,0]=4 395 B16R1.4132 N[C@@H](CCC(=O)Nc1ccccc1)C(=O)O Amb30868131 [0,1,1,0,0,0|0,0,1]=3 396 B16R1.11263 Nc1c(O)cccc1C(=O)CC(N)C(=O)O Amb18134507 [0,1,1,0,0,0|1,0,0]=3 397 B16R1.11263 Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O Amb6600080 [0,1,1,0,0,0|1,0,0]=3 398 B16R1.11441 Cc1ccc(C(=O)CC(N)C(=O)O)c(C)c1 Amb17471813 [0,1,1,0,0,0|2,0,0]=4 399 B16R1.11443 Cc1ccc(C)c(C(=O)CC(N)C(=O)O)c1 Amb17471808 [0,1,1,0,0,0|2,0,0]=4 400 B16R1.11443 NC(CC(=O)c1cc(F)ccc1F)C(=O)O Amb17472171 [0,1,1,0,0,0|2,0,0]=4 401 B16R2.3 CC(N)(CO)Cc1csc2ccccc12 Amb33312691 [1,1,0,0,0,0|1,0,1]=4 402 B16R2.33556 CCC(N)Cc1cn(C)c2ccccc12 Amb32660515 [1,1,0,0,0,0|1,0,1]=4 403 B16R2.33556 CCC(N)Cc1cn(C)c2ccccc12 Amb32660517 [1,1,0,0,0,0|1,0,1]=4 404 B16R2.33556 Cn1cc(CC(N)CO)c2ccccc21 Amb18784125 [1,1,0,0,0,0|0,0,1]=3 405 B16R2.33556 Cn1cc(CC(N)CO)c2cccnc21 Amb32880426 [1,1,0,0,0,0|1,0,1]=4 406 B16R2.33556 Cn1nc(CC(N)CO)c2ccccc21 Amb33358902 [1,1,0,0,0,0|1,0,1]=4 407 B16R2.14 COC(=O)CCn1cnc2ccccc21 Amb7755707 [1,1,0,0,0,0|1,0,1]=4 408 B16R2.520 CC(=O)CC(C)c1coc2ccccc12 Amb35704271 [1,1,0,0,0,0|2,0,0]=4 409 B16R2.520 CC(CC(=O)O)c1cnc2ccccn12 Amb33274540 [1,1,0,0,0,0|1,0,1]=4 410 B16R2.520 CC(CC(=O)O)c1cnn2ccccc12 Amb33079031 [1,1,0,0,0,0|1,0,1]=4 411 B16R2.520 CC(CC(=O)O)c1coc2ccccc12 Amb35713831 [1,1,0,0,0,0|1,0,0]=3 412 B16R2.520 CC(CC(=O)O)c1csc2ccccc12 Amb33195465 [1,1,0,0,0,0|1,0,0]=3 413 B16R2.520 CC(CC(=O)O)n1cnc2ccccc21 Amb2570630 [1,1,0,0,0,0|1,0,1]=4 414 B16R2.520 CC(CC(=O)O)n1cnc2ccccc21 Amb3311724 [1,1,0,0,0,0|1,0,1]=4 415 B16R2.520 NC(=O)C[C@H](N)c1coc2ccccc12 Amb27774257 [1,1,0,0,0,0|2,0,0]=4 416 B16R2.520 NC(CC(=O)O)c1cnc2ccccn12 Amb33445894 [1,1,0,0,0,0|1,0,1]=4 417 B16R2.520 NC(CC(=O)O)c1cnn2ccccc12 Amb33474856 [1,1,0,0,0,0|1,0,1]=4 418 B16R2.520 NC(CC(=O)O)c1csc2ccccc12 Amb18995286 [1,1,0,0,0,0|1,0,0]=3 419 B16R2.520 N[C@@H](CC(=O)O)c1coc2ccccc12 Amb27173691 [1,1,0,0,0,0|1,0,0]=3 420 B16R2.520 N[C@H](CC(=O)O)c1coc2ccccc12 Amb27767044 [1,1,0,0,0,0|1,0,0]=3 421 B16R2.520 N[C@H](CC(=O)O)c1csc2ccccc12 Amb27781028 [1,1,0,0,0,0|1,0,0]=3 422 B16R2.520 O=C(O)CC(O)c1cnc2ccccn12 Amb32953914 [1,1,0,0,0,0|1,0,1]=4 423 B16R2.520 O=C(O)CC(O)c1cnn2ccccc12 Amb32954268 [1,1,0,0,0,0|1,0,1]=4 424 B16R2.520 O=C(O)CC(O)c1coc2ccccc12 Amb31117174 [1,1,0,0,0,0|1,0,0]=3 425 B16R2.520 O=C(O)CC(O)c1csc2ccccc12 Amb18995300 [1,1,0,0,0,0|1,0,0]=3 426 B16R2.520 O=C(O)C[C@@H](O)c1cnc2ccccn12 Amb33274094 [1,1,0,0,0,0|1,0,1]=4 427 B16R2.520 O=C(O)C[C@@H](O)c1cnn2ccccc12 Amb33147535 [1,1,0,0,0,0|1,0,1]=4 428 B16R2.520 O=C(O)C[C@@H](O)c1csc2ccccc12 Amb33313001 [1,1,0,0,0,0|1,0,0]=3 429 B16R2.520 O=C(O)C[C@H](O)c1cnc2ccccn12 Amb33274066 [1,1,0,0,0,0|1,0,1]=4 430 B16R2.520 O=C(O)C[C@H](O)c1cnn2ccccc12 Amb33147536 [1,1,0,0,0,0|1,0,1]=4 431 B16R2.520 O=C(O)C[C@H](O)c1csc2ccccc12 Amb33312963 [1,1,0,0,0,0|1,0,0]=3 432 B16R2.2976 Cc1ccc2c(ccn2CCC(=O)O)c1 Amb16187224 [1,1,0,0,0,0|2,0,0]=4 433 B16R2.2976 Cc1ccn2c(CCC(=O)O)cnc2c1 Amb17127698 [1,1,0,0,0,0|1,0,1]=4 434 B16R2.2976 Nc1ccc2c(ccn2CCC(=O)O)c1 Amb18975446 [1,1,0,0,0,0|2,0,0]=4 435 B16R2.2976 O=C(O)CCC1CNc2cc(Br)ccc21 Amb18560677 [1,1,0,0,0,0|0,0,2]=4 436 B16R2.2976 O=C(O)CCC1CNc2cc(Cl)ccc21 Amb18560676 [1,1,0,0,0,0|0,0,2]=4 437 B16R2.2976 O=C(O)CCC1CNc2cc(F)ccc21 Amb18063355 [1,1,0,0,0,0|0,0,2]=4 438 B16R2.2976 O=C(O)CCc1cnc2cc(Cl)ccn12 Amb18106750 [1,1,0,0,0,0|1,0,1]=4 439 B16R2.2976 O=C(O)CCn1ccc2cc(Br)ccc21 Amb535817 [1,1,0,0,0,0|2,0,0]=4 440 B16R2.2976 O=C(O)CCn1ccc2cc(Cl)ccc21 Amb18245278 [1,1,0,0,0,0|2,0,0]=4 441 B16R2.2976 O=C(O)CCn1ccc2cc(F)ccc21 Amb18895719 [1,1,0,0,0,0|2,0,0]=4 442 B16R2.4003 Cc1cc2ccccc2n1CCC(=O)O Amb1971460 [1,1,0,0,0,0|2,0,0]=4 443 B16R2.4003 Cc1cc2ccccn2c1CCC(=O)O Amb18560930 [1,1,0,0,0,0|2,0,0]=4 444 B16R2.4003 Cc1nc2ccccc2n1CCC(=O)O Amb1760925 [1,1,0,0,0,0|1,0,1]=4 445 B16R2.4003 Cc1nc2ccccc2n1CCC(=O)O Amb5751284 [1,1,0,0,0,0|1,0,1]=4 446 B16R2.4003 Cc1nc2ccccn2c1CCC(=O)O Amb17991252 [1,1,0,0,0,0|1,0,1]=4 447 B16R2.4003 Cc1nc2ccccn2c1CCC(=O)O Amb5734862 [1,1,0,0,0,0|1,0,1]=4 448 B16R2.4003 Cc1nn2ccccc2c1CCC(=O)O Amb18864943 [1,1,0,0,0,0|1,0,1]=4 449 B16R2.4003 Cn1nc2ccccc2c1CCC(=O)O Amb33349747 [1,1,0,0,0,0|1,0,1]=4 450 B16R2.4003 O=C(O)CCC1C(=O)Nc2ccccc21 Amb9776214 [1,1,0,0,0,0|0,0,1]=3 451 B16R2.4003 O=C(O)CCN1C(=O)Cc2ccccc21 Amb6249439 [1,1,0,0,0,0|2,0,0]=4 452 B16R2.4003 O=C(O)CCN1C(=O)Nc2ccccc21 Amb18540823 [1,1,0,0,0,0|1,0,0]=3 453 B16R2.4003 O=C(O)CCN1C(=O)Nc2cccnc21 Amb18255148 [1,1,0,0,0,0|2,0,0]=4 454 B16R2.4003 O=C(O)CCN1C(=O)Oc2ccccc21 Amb17988705 [1,1,0,0,0,0|2,0,0]=4 455 B16R2.4003 O=C(O)CCN1C(=O)Sc2ccccc21 Amb19205174 [1,1,0,0,0,0|2,0,0]=4 456 B16R2.4003 O=C(O)CCN1C(=S)Oc2ccccc21 Amb19772558 [1,1,0,0,0,0|2,0,0]=4 457 B16R2.4003 O=C(O)CCn1c(S)nc2ccccc21 Amb21994082 [1,1,0,0,0,0|1,0,1]=4 458 B16R2.15551 Cc1ccc2c(c1)C(CCC(=O)O)CN2 Amb18063013 [1,1,0,0,0,0|0,0,2]=4 459 B16R2.15551 Cc1ccc2ccn(CCC(=O)O)c2c1 Amb8853521 [1,1,0,0,0,0|2,0,0]=4 460 B16R2.15551 Cc1ccc2ncc(CCC(=O)O)n2c1 Amb17127697 [1,1,0,0,0,0|1,0,1]=4 461 B16R2.15551 Cc1ccc2onc(CCC(=O)O)c2c1 Amb17040416 [1,1,0,0,0,0|2,0,0]=4 462 B16R2.15551 Nc1ccc2ccn(CCC(=O)O)c2c1 Amb18975447 [1,1,0,0,0,0|2,0,0]=4 463 B16R2.15551 O=C(O)CCC1CNc2ccc(Br)cc21 Amb18063018 [1,1,0,0,0,0|0,0,2]=4 464 B16R2.15551 O=C(O)CCC1CNc2ccc(Cl)cc21 Amb18560675 [1,1,0,0,0,0|0,0,2]=4 465 B16R2.15551 O=C(O)CCC1CNc2ccc(F)cc21 Amb18560674 [1,1,0,0,0,0|0,0,2]=4 466 B16R2.15551 O=C(O)CCc1cnc2ccc(Br)cn12 Amb17127702 [1,1,0,0,0,0|1,0,1]=4 467 B16R2.15551 O=C(O)CCc1cnc2ccc(Cl)cn12 Amb17127701 [1,1,0,0,0,0|1,0,1]=4 468 B16R2.15551 O=C(O)CCc1noc2ccc(Cl)cc12 Amb17040419 [1,1,0,0,0,0|2,0,0]=4 469 B16R2.15551 O=C(O)CCn1ccc2ccc(Br)cc21 Amb535818 [1,1,0,0,0,0|2,0,0]=4 470 B16R2.15551 O=C(O)CCn1ccc2ccc(Cl)cc21 Amb8853529 [1,1,0,0,0,0|2,0,0]=4 471 B16R2.15551 O=C(O)CCn1ccc2ccc(F)cc21 Amb535819 [1,1,0,0,0,0|2,0,0]=4 472 B16R2.22833 Cc1cccc2c1NCC2CCC(=O)O Amb18063022 [1,1,0,0,0,0|0,0,2]=4 473 B16R2.22833 Cc1cccc2c1ccn2CCC(=O)O Amb8853511 [1,1,0,0,0,0|2,0,0]=4 474 B16R2.22833 Cc1cccn2c(CCC(=O)O)cnc12 Amb17127699 [1,1,0,0,0,0|1,0,1]=4 475 B16R2.22833 Nc1cccc2c1ccn2CCC(=O)O Amb32699298 [1,1,0,0,0,0|2,0,0]=4 476 B16R2.22833 O=C(O)CCC1CNc2c(Br)cccc21 Amb18063025 [1,1,0,0,0,0|0,0,2]=4 477 B16R2.22833 O=C(O)CCC1CNc2c(Cl)cccc21 Amb18063024 [1,1,0,0,0,0|0,0,2]=4 478 B16R2.22833 O=C(O)CCC1CNc2c(F)cccc21 Amb18560680 [1,1,0,0,0,0|0,0,2]=4 479 B16R2.22833 O=C(O)CCn1ccc2c(Cl)cccc21 Amb13777457 [1,1,0,0,0,0|2,0,0]=4 480 B16R2.22904 Cc1cccc2ccn(CCC(=O)O)c12 Amb18894997 [1,1,0,0,0,0|2,0,0]=4 481 B16R2.22904 Nc1cccc2ccn(CCC(=O)O)c12 Amb32699297 [1,1,0,0,0,0|2,0,0]=4 482 B16R2.22904 O=C(O)CCn1ccc2cccc(Br)c21 Amb18906279 [1,1,0,0,0,0|2,0,0]=4 483 B16R2.22904 O=C(O)CCn1ccc2cccc(Cl)c21 Amb18245282 [1,1,0,0,0,0|2,0,0]=4 484 B16R2.22904 O=C(O)CCn1ccc2cccc(F)c21 Amb18895720 [1,1,0,0,0,0|2,0,0]=4 485 B16R2.104522 CC(=O)CCc1cn(C)c2ccccc12 Amb17595348 [1,1,0,0,0,0|1,0,0]=3 486 B16R2.104522 CC(=O)CCc1cn(C)c2ncccc12 Amb33224574 [1,1,0,0,0,0|2,0,0]=4 487 B16R2.104522 CC(=O)CCc1nn(C)c2ccccc12 Amb28124503 [1,1,0,0,0,0|2,0,0]=4 488 B16R2.104522 CC(O)CCc1cn(C)c2ccccc12 Amb33172540 [1,1,0,0,0,0|1,0,1]=4 489 B16R2.104522 CN1CC(CCC(=O)O)c2ccccc21 Amb18063071 [1,1,0,0,0,0|0,0,2]=4 490 B16R2.104522 C[C@@H](O)CCc1cn(C)c2ccccc12 Amb33320666 [1,1,0,0,0,0|1,0,1]=4 491 B16R2.104522 C[C@H](O)CCc1cn(C)c2ccccc12 Amb33320667 [1,1,0,0,0,0|1,0,1]=4 492 B16R2.104522 Cc1cn(CCC(=O)O)c2ccccc12 Amb592052 [1,1,0,0,0,0|2,0,0]=4 493 B16R2.104522 Cn1cc(C#CC(=O)O)c2ccccc21 Amb22713540 [1,1,0,0,0,0|0,0,2]=4 494 B16R2.104522 Cn1cc(CCC(=O)O)c2ccccc21 Amb6356128 [1,1,0,0,0,0|0,0,0]=2 495 B16R2.104522 Cn1cc(CCC(=O)O)c2cccnc21 Amb32881135 [1,1,0,0,0,0|1,0,0]=3 496 B16R2.104522 Cn1cc(CC[N+](=O)[O-])c2ccccc21 Amb33319503 [1,1,0,0,0,0|1,0,1]=4 497 B16R2.104522 Cn1cc(CNC(N)=O)c2ccccc21 Amb31129069 [1,1,0,0,0,0|2,0,0]=4 498 B16R2.104522 Cn1cc(NCC(=O)O)c2ccccc21 Amb31129173 [1,1,0,0,0,0|1,0,0]=3 499 B16R2.104522 Cn1cc(OCC(=O)O)c2ccccc21 Amb33319461 [1,1,0,0,0,0|1,0,0]=3 500 B16R2.104522 Cn1cc(OCC(=O)O)c2cccnc21 Amb32878640 [1,1,0,0,0,0|2,0,0]=4 501 B16R2.104522 Cn1cc(SCC(=O)O)c2ccccc21 Amb1058730 [1,1,0,0,0,0|1,0,0]=3 502 B16R2.104522 Cn1cc(SCC(N)=O)c2ccccc21 Amb1349739 [1,1,0,0,0,0|2,0,0]=4 503 B16R2.104522 Cn1cc(\C=C\C(=O)O)c2ccccc21 Amb9174683 [1,1,0,0,0,0|0,0,2]=4 504 B16R2.104522 Cn1nc(CCC(=O)O)c2ccccc21 Amb26466075 [1,1,0,0,0,0|1,0,0]=3 505 B16R2.104522 Cn1nc(OCC(=O)O)c2ccccc21 Amb23568598 [1,1,0,0,0,0|2,0,0]=4 506 B16R2.104522 O=C(O)CCn1cc(Cl)c2ccccc21 Amb18998035 [1,1,0,0,0,0|2,0,0]=4 507 B16R2.495 CC(C)(C(=O)O)c1coc2ccccc12 Amb32713390 [0,1,0,0,1,0|2,0,0]=4 508 B16R2.495 CC(C)(C(=O)O)c1csc2ccccc12 Amb33429818 [0,1,0,0,1,0|2,0,0]=4 509 B16R2.495 CC(N)(C(=O)O)c1coc2ccccc12 Amb31116860 [0,1,0,0,1,0|1,0,0]=3 510 B16R2.495 CC(N)(C(=O)O)c1csc2ccccc12 Amb3941915 [0,1,0,0,1,0|1,0,0]=3 511 B16R2.495 CC(O)(C(=O)O)c1coc2ccccc12 Amb31117175 [0,1,0,0,1,0|2,0,0]=4 512 B16R2.495 O=C(O)C(F)(F)c1coc2ccccc12 Amb32713380 [0,1,0,0,1,0|2,0,0]=4 513 B16R2.495 O=C(O)C(F)(F)c1csc2ccccc12 Amb33400934 [0,1,0,0,1,0|2,0,0]=4 514 B16R2.2314 CCC(C(=O)O)c1coc2ccccc12 Amb32713409 [0,1,0,0,1,0|2,0,0]=4 515 B16R2.2314 CCC(C(=O)O)c1csc2ccccc12 Amb33195467 [0,1,0,0,1,0|2,0,0]=4 516 B16R2.2314 CNC(C(N)=O)c1csc2ccccc12 Amb18995296 [0,1,0,0,1,0|2,0,0]=4 517 B16R2.2314 NCC(C(=O)O)c1cnc2ccccn12 Amb33274789 [0,1,0,0,1,0|1,0,1]=4 518 B16R2.2314 NCC(C(=O)O)c1cnn2ccccc12 Amb33079946 [0,1,0,0,1,0|1,0,1]=4 519 B16R2.2314 NCC(C(=O)O)c1csc2ccccc12 Amb33313052 [0,1,0,0,1,0|1,0,0]=3 520 B16R2.4002 CC(C(=O)O)N1C(=O)Nc2ccccc21 Amb18917459 [0,1,0,0,1,0|2,0,0]=4 521 B16R2.4002 Cn1nc2ccccc2c1C(N)C(=O)O Amb33474903 [0,1,0,0,1,0|1,0,1]=4 522 B16R2.4002 NC(C(=O)O)C1C(=O)Nc2ccccc21 Amb35663209 [0,1,0,0,1,0|0,0,1]=3 523 B16R2.4002 O=C(O)\C(S)=C1\C(=O)Nc2ccccc21 Amb24115519 [0,1,0,0,1,0|1,0,1]=4 524 B16R2.104521 C=C(C(=O)O)c1cn(C)c2ccccc12 Amb18566347 [0,1,0,0,1,0|1,0,1]=4 525 B16R2.104521 CC(C(=O)O)c1cn(C)c2ccccc12 Amb18566694 [0,1,0,0,1,0|1,0,0]=3 526 B16R2.104521 CC(C(=O)O)c1cn(C)c2ncccc12 Amb32881121 [0,1,0,0,1,0|2,0,0]=4 527 B16R2.104521 CC(C(=O)O)c1nn(C)c2ccccc12 Amb33226226 [0,1,0,0,1,0|2,0,0]=4 528 B16R2.104521 Cn1cc(C(=O)C(=O)O)c2ccccc21 Amb18566642 [0,1,0,0,1,0|1,0,1]=4 529 B16R2.104521 Cn1cc(C(Cl)C(=O)O)c2ccccc21 Amb18069345 [0,1,0,0,1,0|1,0,0]=3 530 B16R2.104521 Cn1cc(C(N)C(=O)O)c2ccccc21 Amb2696711 [0,1,0,0,1,0|0,0,0]=2 531 B16R2.104521 Cn1cc(C(N)C(=O)O)c2cccnc21 Amb32881447 [0,1,0,0,1,0|1,0,0]=3 532 B16R2.104521 Cn1cc(C(O)C(=O)O)c2ccccc21 Amb18783415 [0,1,0,0,1,0|1,0,0]=3 533 B16R2.104521 Cn1cc(C(O)C(=O)O)c2cccnc21 Amb32880868 [0,1,0,0,1,0|2,0,0]=4 534 B16R2.104521 Cn1cc(C(O)C(N)=O)c2ccccc21 Amb31129169 [0,1,0,0,1,0|2,0,0]=4 535 B16R2.104521 Cn1nc(C(N)C(=O)O)c2ccccc21 Amb33449141 [0,1,0,0,1,0|1,0,0]=3 536 B16R2.104521 Cn1nc(C(O)C(=O)O)c2ccccc21 Amb33197027 [0,1,0,0,1,0|2,0,0]=4 537 B18R2.978763 CC(CCc1cn(C)c2ccccc12)C(=O)O Amb33319475 [0,1,0,0,0,1|1,0,0]=3 538 B18R2.978763 CC(CCc1cn(C)c2ncccc12)C(=O)O Amb32879012 [0,1,0,0,0,1|2,0,0]=4 539 B18R2.978763 CC(CCc1nn(C)c2ccccc12)C(=O)O Amb33080328 [0,1,0,0,0,1|2,0,0]=4 540 B18R2.978763 Cn1cc(CNC(=O)C(=O)O)c2ccccc21 Amb31103939 [0,1,0,0,0,1|1,0,1]=4 541 B18R2.978778 CN(CC(=O)O)Cc1cn(C)c2ccccc12 Amb18869467 [0,1,0,0,0,1|2,0,0]=4 542 B18R2.978778 Cn1cc(CC(N)CC(=O)O)c2ccccc21 Amb18869465 [0,1,0,0,0,1|0,0,0]=2 543 B18R2.30019 COC(=O)C(N)Cc1ccc2ccccc2c1 Amb2683258 [0,1,0,0,0,1|1,0,0]=3 544 B18R2.30019 COC(=O)C(N)Cc1cnc2ccccc2c1 Amb33607507 [0,1,0,0,0,1|0,0,1]=3 545 B18R2.30019 COC(=O)C(N)Cc1cnc2ccccc2c1 Amb33729795 [0,1,0,0,0,1|0,0,1]=3 546 B18R2.30019 COC(=O)C(O)Cc1ccc2ccccc2c1 Amb33361873 [0,1,0,0,0,1|2,0,0]=4 547 B18R2.30019 COC(=O)C(O)Cc1ccc2ccccc2n1 Amb33450076 [0,1,0,0,0,1|2,0,0]=4 548 B18R2.30019 COC(=O)C(O)Cc1cnc2ccccc2c1 Amb33323582 [0,1,0,0,0,1|1,0,1]=4 549 B18R2.30019 COC(=O)C(O)Cc1cnc2ccccc2n1 Amb33376996 [0,1,0,0,0,1|1,0,1]=4 550 B18R2.30019 COC(=O)[C@@H](N)Cc1ccc2ccccc2c1 Amb33727202 [0,1,0,0,0,1|1,0,0]=3 551 B18R2.30019 COC(=O)[C@@H](N)Cc1ccc2ccccc2c1 Amb34138828 [0,1,0,0,0,1|1,0,0]=3 552 B18R2.31385 CC(Cc1ccc2ccc(Cl)cc2n1)C(=O)O Amb17583373 [0,1,0,0,0,1|2,0,0]=4 553 B18R2.31781 NC(C(=O)O)C(O)c1ccc2ccccc2c1 Amb32954952 [0,1,0,0,0,1|1,0,0]=3 554 B18R2.31781 NC(C(=O)O)C(O)c1ccc2ccccc2n1 Amb33171457 [0,1,0,0,0,1|1,0,0]=3 555 B18R2.31781 NC(C(=O)O)C(O)c1ccc2cccnc2c1 Amb32879191 [0,1,0,0,0,1|2,0,0]=4 556 B18R2.31781 NC(C(=O)O)C(O)c1ccc2ncccc2c1 Amb32953879 [0,1,0,0,0,1|2,0,0]=4 557 B18R2.31781 NC(C(=O)O)C(O)c1cnc2ccccc2c1 Amb33224203 [0,1,0,0,0,1|0,0,1]=3 558 B18R2.31781 NC(C(=O)O)C(O)c1cnc2ccccc2n1 Amb33377765 [0,1,0,0,0,1|0,0,1]=3 559 B18R2.31781 N[C@H](c1ccc2ccccc2c1)[C@@H](O)C(=O)O Amb22756733 [0,1,0,0,0,1|2,0,0]=4 560 B18R2.61970 CC(Cc1cc2ccccc2nc1Cl)C(=O)O Amb33058640 [0,1,0,0,0,1|1,0,1]=4 561 B18R2.61970 NC(CC1=Cc2ccccc2NC1=O)C(=O)O Amb31106391 [0,1,0,0,0,1|0,0,0]=2 562 B18R2.78780 CC(=O)C(CN)Cc1ccc2ccccc2n1 Amb33447077 [0,1,0,0,0,1|2,0,0]=4 563 B18R2.78780 CN[C@H](Cc1ccc2ccccc2c1)C(=O)O Amb33347472 [0,1,0,0,0,1|1,0,0]=3 564 B18R2.78780 COC(Cc1ccc2ccccc2c1)C(=O)O Amb33361870 [0,1,0,0,0,1|2,0,0]=4 565 B18R2.78780 COC(Cc1ccc2ccccc2n1)C(=O)O Amb33201341 [0,1,0,0,0,1|2,0,0]=4 566 B18R2.78780 COC(Cc1cnc2ccccc2c1)C(=O)O Amb33323579 [0,1,0,0,0,1|1,0,1]=4 567 B18R2.78780 COC(Cc1cnc2ccccc2n1)C(=O)O Amb33376995 [0,1,0,0,0,1|1,0,1]=4 568 B18R2.339507 CC(Cc1ccc2cc(F)ccc2n1)C(=O)O Amb17581279 [0,1,0,0,0,1|2,0,0]=4 569 B18R2.339507 Cc1ccc2cc(CC(N)C(=O)O)ccc2n1 Amb33079880 [0,1,0,0,0,1|2,0,0]=4 570 B18R2.483954 CC(Cc1ccc2cccc(Br)c2n1)C(=O)O Amb17590840 [0,1,0,0,0,1|2,0,0]=4 571 B18R2.559985 CC(C)(Cc1ccc2ccccc2c1)C(=O)O Amb33457890 [0,1,0,0,0,1|2,0,0]=4 572 B18R2.559985 CC(C)(Cc1ccc2ccccc2n1)C(=O)O Amb32953072 [0,1,0,0,0,1|2,0,0]=4 573 B18R2.559985 CC(C)(Cc1cnc2ccccc2c1)C(=O)O Amb33079541 [0,1,0,0,0,1|1,0,1]=4 574 B18R2.559985 CC(C)(Cc1cnc2ccccc2n1)C(=O)O Amb33378845 [0,1,0,0,0,1|1,0,1]=4 575 B18R2.559985 CC(O)(Cc1ccc2ccccc2c1)C(=O)O Amb33362158 [0,1,0,0,0,1|2,0,0]=4 576 B18R2.559985 CC(O)(Cc1ccc2ccccc2n1)C(=O)O Amb33201308 [0,1,0,0,0,1|2,0,0]=4 577 B18R2.559985 CC(O)(Cc1cnc2ccccc2c1)C(=O)O Amb33323559 [0,1,0,0,0,1|1,0,1]=4 578 B18R2.559985 CC(O)(Cc1cnc2ccccc2n1)C(=O)O Amb33376989 [0,1,0,0,0,1|1,0,1]=4 579 B18R2.559985 O=C(O)C(F)(F)Cc1ccc2ccccc2c1 Amb33337242 [0,1,0,0,0,1|2,0,0]=4 580 B18R2.559985 O=C(O)C(F)(F)Cc1ccc2ccccc2n1 Amb33337908 [0,1,0,0,0,1|2,0,0]=4 581 B18R2.559985 O=C(O)C(F)(F)Cc1cnc2ccccc2c1 Amb32745828 [0,1,0,0,0,1|1,0,1]=4 582 B18R2.559985 O=C(O)C(F)(F)Cc1cnc2ccccc2n1 Amb33399788 [0,1,0,0,0,1|1,0,1]=4 583 B18R2.6164 Cc1cc(CC(C)C(=O)O)c2ccccc2n1 Amb33474544 [0,1,0,0,0,1|1,0,1]=4 584 B18R2.6164 Cc1cc(CC(N)C(=O)O)c2ccccc2n1 Amb33359162 [0,1,0,0,0,1|0,0,1]=3 585 B18R2.6164 Cc1cc(CC(O)C(=O)O)c2ccccc2n1 Amb33310274 [0,1,0,0,0,1|1,0,1]=4 586 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(=O)O Amb18661444 [0,1,0,0,0,1|0,0,0]=2 587 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(=O)O Amb19888547 [0,1,0,0,0,1|0,0,0]=2 588 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(=O)O Amb22234038 [0,1,0,0,0,1|0,0,0]=2 589 B18R2.6164 N[C@@H](CC1=CC(=O)Nc2ccccc21)C(=O)O Amb33758075 [0,1,0,0,0,1|0,0,0]=2 590 B18R2.6551 CC(Cc1c(O)ccc2ccccc12)C(=O)O Amb33359064 [0,1,0,0,0,1|2,0,0]=4 591 B18R2.6551 NC(Cc1c(O)ccc2ccccc12)C(=O)O Amb33429742 [0,1,0,0,0,1|1,0,0]=3 592 B18R2.6551 O=C(O)C(O)Cc1c(O)ccc2ccccc12 Amb33422141 [0,1,0,0,0,1|2,0,0]=4 593 B18R2.62416 Cc1ccc(CC(C)C(=O)O)c2ccccc12 Amb33200198 [0,1,0,0,0,1|2,0,0]=4 594 B18R2.62416 Cc1ccc(CC(N)C(=O)O)c2ccccc12 Amb33079388 [0,1,0,0,0,1|1,0,0]=3 595 B18R2.62416 Cc1ccc(CC(O)C(=O)O)c2ccccc12 Amb33199212 [0,1,0,0,0,1|2,0,0]=4 596 B18R2.904449 COC(=O)C(N)Cc1cccc2ccccc12 Amb34912862 [0,1,0,0,0,1|1,0,0]=3 597 B18R2.904449 COC(=O)C(O)Cc1cccc2ccccc12 Amb32954135 [0,1,0,0,0,1|2,0,0]=4 598 B18R2.904449 COC(=O)C(O)Cc1ccnc2ccccc12 Amb32953853 [0,1,0,0,0,1|1,0,1]=4 599 B18R2.904449 COC(=O)[C@@H](N)Cc1cccc2ccccc12 Amb33749357 [0,1,0,0,0,1|1,0,0]=3 600 B18R2.904449 COC(=O)[C@@H](N)Cc1cccc2ccccc12 Amb34157764 [0,1,0,0,0,1|1,0,0]=3 601 B18R2.904449 COC(=O)[C@H](N)Cc1cccc2ccccc12 Amb34913896 [0,1,0,0,0,1|1,0,0]=3 602 B18R2.913225 CC(=O)C(CN)Cc1cncc2ccccc12 Amb33447074 [0,1,0,0,0,1|1,0,1]=4 603 B18R2.913225 CN[C@H](Cc1cccc2ccccc12)C(=O)O Amb33347468 [0,1,0,0,0,1|1,0,0]=3 604 B18R2.913225 COC(Cc1cccc2ccccc12)C(=O)O Amb23320914 [0,1,0,0,0,1|2,0,0]=4 605 B18R2.913225 COC(Cc1ccnc2ccccc12)C(=O)O Amb33145310 [0,1,0,0,0,1|1,0,1]=4 606 B18R2.913225 N#CC(Cc1cccc2ccccc12)C(=O)O Amb33624289 [0,1,0,0,0,1|1,0,1]=4 607 B18R2.913225 NCC(Cc1cccc2ccccc12)C(=O)O Amb32992301 [0,1,0,0,0,1|1,0,0]=3 608 B18R2.913225 NCC(Cc1cccc2ccccc12)C(=O)O Amb7800936 [0,1,0,0,0,1|1,0,0]=3 609 B18R2.913225 NCC(Cc1cccc2ccccc12)C(N)=O Amb7800990 [0,1,0,0,0,1|2,0,0]=4 610 B18R2.1372400 CC(C)(Cc1cccc2ccccc12)C(=O)O Amb17333789 [0,1,0,0,0,1|2,0,0]=4 611 B18R2.1372400 CC(C)(Cc1ccnc2ccccc12)C(=O)O Amb33171921 [0,1,0,0,0,1|1,0,1]=4 612 B18R2.1372400 CC(O)(Cc1cccc2ccccc12)C(=O)O Amb33195982 [0,1,0,0,0,1|2,0,0]=4 613 B18R2.1372400 CC(O)(Cc1ccnc2ccccc12)C(=O)O Amb33145344 [0,1,0,0,0,1|1,0,1]=4 614 B18R2.1372400 O=C(O)C(F)(F)Cc1cccc2ccccc12 Amb32811421 [0,1,0,0,0,1|2,0,0]=4 615 B18R2.1372400 O=C(O)C(F)(F)Cc1ccnc2ccccc12 Amb33338532 [0,1,0,0,0,1|1,0,1]=4 616 B18R2.2912343 NC(C(=O)O)C(O)c1cccc2ccccc12 Amb33449404 [0,1,0,0,0,1|1,0,0]=3 617 B18R2.2912343 NC(C(=O)O)C(O)c1cccc2cnccc12 Amb32724425 [0,1,0,0,0,1|2,0,0]=4 618 B18R2.2912343 NC(C(=O)O)C(O)c1ccnc2ccccc12 Amb32953799 [0,1,0,0,0,1|0,0,1]=3 619 B18R2.2912343 N[C@H](c1cccc2ccccc12)[C@@H](O)C(=O)O Amb22756730 [0,1,0,0,0,1|2,0,0]=4 620 B18R2.12 CCNC(=O)C(N)Cc1coc2ccccc12 Amb33229635 [0,2,0,0,0,0|2,0,0]=4 621 B18R2.12 CCOC(=O)C(N)Cc1coc2ccccc12 Amb18661845 [0,2,0,0,0,0|1,0,0]=3 622 B18R2.12 CCOC(=O)C(N)Cc1csc2ccccc12 Amb33075996 [0,2,0,0,0,0|1,0,0]=3 623 B18R2.12 CCOC(=O)C(N)Cc1csc2ccccc12 Amb33496183 [0,2,0,0,0,0|1,0,0]=3 624 B18R2.374 COC(=O)C(C)(N)Cn1cnc2ccccc21 Amb32753631 [0,2,0,0,0,0|1,0,1]=4 625 B18R2.374 COC(=O)C(C)(N)Cn1cnc2ccccc21 Amb32753637 [0,2,0,0,0,0|1,0,1]=4 626 B18R2.125805 COC(=O)C(O)Cc1cn(C)c2ccccc12 Amb33319498 [0,2,0,0,0,0|1,0,0]=3 627 B18R2.125805 COC(=O)C(O)Cc1cn(C)c2ncccc12 Amb32879268 [0,2,0,0,0,0|2,0,0]=4 628 B18R2.125805 COC(=O)C(O)Cc1nn(C)c2ccccc12 Amb33475233 [0,2,0,0,0,0|2,0,0]=4 629 B18R2.125811 COC(=O)C(N)CN1C(=O)Oc2ccccc21 Amb22642970 [0,2,0,0,0,0|2,0,0]=4 630 B18R2.60850 O=C(O)C(F)(F)Cc1c(Cl)oc2ccccc12 Amb33404500 [0,2,0,0,0,0|2,0,0]=4 631 B18R2.2319184 Cn1cc(CC(C)(C)C(=O)O)c2ccccc21 Amb18572952 [0,2,0,0,0,0|1,0,0]=3 632 B18R2.2319184 Cn1cc(CC(C)(C)C(=O)O)c2cccnc21 Amb32880063 [0,2,0,0,0,0|2,0,0]=4 633 B18R2.2319184 Cn1cc(CC(C)(O)C(=O)O)c2ccccc21 Amb33319490 [0,2,0,0,0,0|1,0,0]=3 634 B18R2.2319184 Cn1cc(CC(C)(O)C(=O)O)c2cccnc21 Amb32879259 [0,2,0,0,0,0|2,0,0]=4 635 B18R2.2319184 Cn1cc(CC(F)(F)C(=O)O)c2ccccc21 Amb32748566 [0,2,0,0,0,0|1,0,0]=3 636 B18R2.2319184 Cn1cc(CC(F)(F)C(=O)O)c2cccnc21 Amb33402915 [0,2,0,0,0,0|2,0,0]=4 637 B18R2.2319184 Cn1nc(CC(C)(C)C(=O)O)c2ccccc21 Amb33474853 [0,2,0,0,0,0|2,0,0]=4 638 B18R2.2319184 Cn1nc(CC(C)(O)C(=O)O)c2ccccc21 Amb33196356 [0,2,0,0,0,0|2,0,0]=4 639 B18R2.2319184 Cn1nc(CC(F)(F)C(=O)O)c2ccccc21 Amb32811377 [0,2,0,0,0,0|2,0,0]=4 640 B18R2.913092 COC(Cc1cn(C)c2ccccc12)C(=O)O Amb33319496 [0,2,0,0,0,0|1,0,0]=3 641 B18R2.913092 COC(Cc1cn(C)c2ncccc12)C(=O)O Amb32879263 [0,2,0,0,0,0|2,0,0]=4 642 B18R2.913092 COC(Cc1nn(C)c2ccccc12)C(=O)O Amb33196358 [0,2,0,0,0,0|2,0,0]=4 643 B18R2.314287 NC(Cn1cnc2cc(F)c(F)cc21)C(=O)O Amb28653726 [0,2,0,0,0,0|1,0,1]=4 644 B18R2.6150 Cn1nc2ccccc2c1C(O)C(N)C(=O)O Amb33311735 [0,2,0,0,0,0|1,0,1]=4 645 B18R2.483861 Cc1cccc2c1NC(=O)C2CC(N)C(=O)O Amb31031223 [0,2,0,0,0,0|0,0,1]=3 646 B18R2.483861 NC(CC1C(=O)Nc2c(Br)cccc21)C(=O)O Amb31031224 [0,2,0,0,0,0|0,0,1]=3 647 B18R2.2313826 CC(=O)C(C)Cc1c(C)n(C)c2ccccc12 Amb18868367 [0,2,0,0,0,0|2,0,0]=4 648 B18R2.2313826 Cc1c(CC(=O)C(=O)O)c2ccccc2n1C Amb32732263 [0,2,0,0,0,0|1,0,1]=4 649 B18R2.2313826 Cc1c(CC(C)C(=O)O)c2ccccc2n1C Amb31099111 [0,2,0,0,0,0|1,0,0]=3 650 B18R2.2313826 Cc1c(CC(N)C(=O)O)c2ccccc2n1C Amb18573460 [0,2,0,0,0,0|0,0,0]=2 651 B18R2.2313826 Cc1c(CC(O)C(=O)O)c2ccccc2n1C Amb32732160 [0,2,0,0,0,0|1,0,0]=3 652 B18R2.508861 Cn1cc(CC(N)C(=O)O)c2cc(Br)ccc21 Amb31165540 [0,2,0,0,0,0|0,0,0]=2 653 B18R2.59658 Cn1cc(CC(N)C(=O)O)c2cccc(Br)c21 Amb31165542 [0,2,0,0,0,0|0,0,0]=2 654 B18R2.12995 CC(C(=O)O)C(C)(C)c1coc2ccccc12 Amb31119471 [0,2,0,0,0,0|2,0,0]=4 655 B18R2.12995 CC(C(=O)O)C(C)(C)c1csc2ccccc12 Amb31140793 [0,2,0,0,0,0|2,0,0]=4 656 B18R2.12995 CC(C)(c1cnc2ccccn12)C(N)C(=O)O Amb33274384 [0,2,0,0,0,0|1,0,1]=4 657 B18R2.12995 CC(C)(c1cnn2ccccc12)C(N)C(=O)O Amb33147902 [0,2,0,0,0,0|1,0,1]=4 658 B18R2.131797 Cn1cc(C(O)C(N)C(=O)O)c2ccccc21 Amb18743840 [0,2,0,0,0,0|0,0,0]=2 659 B18R2.131797 Cn1cc(C(O)C(N)C(=O)O)c2cccnc21 Amb32880427 [0,2,0,0,0,0|1,0,0]=3 660 B18R2.131797 Cn1nc(C(O)C(N)C(=O)O)c2ccccc21 Amb33196718 [0,2,0,0,0,0|1,0,0]=3 661 B18R2.254902 N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)O Amb16183846 [0,2,0,0,0,0|0,0,0]=2 662 B18R2.254902 N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)O Amb16183842 [0,2,0,0,0,0|0,0,0]=2 663 B16R2.3355 Cn1c(C(N)C(=O)O)cc2ccccc21 Amb33358972 [0,0,1,1,0,0|0,0,2]=4 664 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2c1 Amb1813708 [0,0,1,1,0,0|1,0,1]=4 665 B16R2.6284 NC(C(=O)O)c1ccc2ccccc2c1 Amb33550772 [0,0,1,1,0,0|1,0,1]=4 666 B16R2.6284 NC(C(=O)O)c1cnc2ccccc2c1 Amb2696721 [0,0,1,1,0,0|0,0,2]=4 667 B16R2.6284 N[C@@H](C(=O)O)c1ccc2ccccc2c1 Amb30869525 [0,0,1,1,0,0|1,0,1]=4 668 B16R2.2880 O=C(O)C1CC(c2ccccc2)C(=O)N1 Amb32412125 [0,0,1,1,0,0|1,0,1]=4 669 B16R2.2880 O=C(O)C1CN(c2ccccc2)C(=O)N1 Amb31117188 [0,0,1,1,0,0|2,0,0]=4 670 B16R2.40082 N\N=C1/CC(C(=O)O)Oc2ccccc21 Amb33724494 [0,0,1,1,0,0|2,0,0]=4 671 B16R2.6271 CC(Cc1cn2ccccc2n1)C(=O)O Amb27475544 [0,0,1,1,0,0|2,0,0]=4 672 B16R2.6271 NC(Cc1cc2ccccc2o1)C(=O)O Amb18783356 [0,0,1,1,0,0|2,0,0]=4 673 B16R2.6271 NC(Cc1cc2ccccc2o1)C(=O)O Amb33552959 [0,0,1,1,0,0|2,0,0]=4 674 B16R2.6271 NC(Cc1cc2ccccc2s1)C(=O)O Amb33171619 [0,0,1,1,0,0|2,0,0]=4 675 B16R2.6271 NC(Cc1cc2ncccn2n1)C(=O)O Amb33145556 [0,0,1,1,0,0|2,0,0]=4 676 B16R2.6271 NC(Cc1cn2ccccc2n1)C(=O)O Amb6260075 [0,0,1,1,0,0|1,0,0]=3 677 B16R2.6271 N[C@@H](Cc1cc2ccccc2o1)C(=O)O Amb24651971 [0,0,1,1,0,0|2,0,0]=4 678 B16R2.6271 N[C@@H](Cc1cn2ccccc2n1)C(=O)O Amb28073713 [0,0,1,1,0,0|1,0,0]=3 679 B16R2.6271 O=C(O)C(O)Cc1cn2ccccc2n1 Amb33353157 [0,0,1,1,0,0|2,0,0]=4 680 B16R2.244415 NC(C(=O)O)C1CCNc2ccccc21 Amb30039881 [0,0,1,1,0,0|0,0,2]=4 681 B16R2.244415 NC(C(=O)O)c1cccc2ccccc12 Amb32684544 [0,0,1,1,0,0|1,0,1]=4 682 B16R2.244415 NC(C(=O)O)c1cccc2ccccc12 Amb9727131 [0,0,1,1,0,0|1,0,1]=4 683 B16R2.244415 NC(C(=O)O)c1ccnc2ccccc12 Amb2696716 [0,0,1,1,0,0|0,0,2]=4 684 B16R2.244415 N[C@@H](C(=O)O)c1cccc2ccccc12 Amb30982088 [0,0,1,1,0,0|1,0,1]=4 685 B16R2.244415 N[C@H](C(=O)O)c1cccc2ccccc12 Amb33870814 [0,0,1,1,0,0|1,0,1]=4 686 B16R2.6257 NC(Cc1ccc2occc2c1)C(=O)O Amb18783355 [0,0,1,1,0,0|2,0,0]=4 687 B16R2.6257 NC(Cc1cnc2ccnn2c1)C(=O)O Amb32729666 [0,0,1,1,0,0|2,0,0]=4 688 B16R2.49441 NC(Cc1cccc2c1NCC2)C(=O)O Amb33875849 [0,0,1,1,0,0|0,0,2]=4 689 B16R3.426 O=C(O)C1CC12C=Cc3ccccc32 Amb27849614 [1,0,0,1,0,0|1,0,1]=4 690 B16R3.426 O=C(O)[C@@H]1C[C@@]12C=Cc3ccccc32 Amb27634827 [1,0,0,1,0,0|1,0,1]=4 691 B18R3.7470 O=C(O)C1CC(c2coc3ccccc23)C1 Amb31133768 [0,0,0,1,0,1|2,0,0]=4 692 B18R3.7470 O=C(O)C1CC(c2csc3ccccc23)C1 Amb31106552 [0,0,0,1,0,1|2,0,0]=4 693 B18R3.115362 O=C(O)C1Cc2cc3ccccc3nc2N1 Amb31133451 [0,0,0,1,0,1|0,0,1]=3 694 B18R3.987165 O=C(O)C1CC1c2ccc3ccccc3c2 Amb9677096 [0,0,0,1,0,1|2,0,0]=4 695 B18R3.987165 O=C(O)C1CC1c2ccc3ccccc3n2 Amb33474728 [0,0,0,1,0,1|2,0,0]=4 696 B18R3.987165 O=C(O)C1CC1c2cnc3ccccc3c2 Amb32953356 [0,0,0,1,0,1|1,0,1]=4 697 B18R3.987165 O=C(O)C1CC1c2cnc3ccccc3n2 Amb33377839 [0,0,0,1,0,1|1,0,1]=4 698 B18R3.987165 O=C(O)[C@@H]1C[C@@H]1c2ccc3ccccc3c2 Amb34916207 [0,0,0,1,0,1|2,0,0]=4 699 B18R3.987165 O=C(O)[C@@H]1C[C@H]1c2ccc3ccccc3n2 Amb33202016 [0,0,0,1,0,1|2,0,0]=4 700 B18R3.987165 O=C(O)[C@@H]1C[C@H]1c2cnc3ccccc3c2 Amb33325100 [0,0,0,1,0,1|1,0,1]=4 701 B18R3.987165 O=C(O)[C@@H]1C[C@H]1c2cnc3ccccc3n2 Amb33377782 [0,0,0,1,0,1|1,0,1]=4 702 B18R3.7353 O=C(O)C1CC1c2cccc3ccccc23 Amb9677123 [0,0,0,1,0,1|2,0,0]=4 703 B18R3.7353 O=C(O)C1CC1c2ccnc3ccccc23 Amb33079438 [0,0,0,1,0,1|1,0,1]=4 704 B18R3.7353 O=C(O)[C@@H]1C[C@H]1c2ccnc3ccccc23 Amb33146056 [0,0,0,1,0,1|1,0,1]=4 705 B18R3.118304 O=C(O)C1(Cc2csc3ccccc23)CC1 Amb33448970 [0,1,0,1,0,0|2,0,0]=4 706 B18R3.622433 Cn1c2c(c3ccccc31)CC(C(=O)O)C2 Amb23454182 [0,1,0,1,0,0|1,0,0]=3 707 B18R3.2545567 Cn1cc(C2CC2C(=O)O)c3ccccc31 Amb18225327 [0,1,0,1,0,0|1,0,0]=3 708 B18R3.2545567 Cn1cc(C2CC2C(=O)O)c3cccnc31 Amb32880866 [0,1,0,1,0,0|2,0,0]=4 709 B18R3.2545567 Cn1cc([C@@H]2C[C@H]2C(=O)O)c3ccccc31 Amb33319839 [0,1,0,1,0,0|1,0,0]=3 710 B18R3.2545567 Cn1cc([C@@H]2C[C@H]2C(=O)O)c3cccnc31 Amb32880458 [0,1,0,1,0,0|2,0,0]=4 711 B18R3.2545567 Cn1nc(C2CC2C(=O)O)c3ccccc31 Amb33197020 [0,1,0,1,0,0|2,0,0]=4 712 B18R3.2545567 Cn1nc([C@@H]2C[C@H]2C(=O)O)c3ccccc31 Amb33196753 [0,1,0,1,0,0|2,0,0]=4 713 B14R1.3135 C#Cc1ccccc1CC(N)C(=O)O Amb33314786 [0,0,1,0,1,0|1,0,1]=4 714 B14R1.3135 CCc1ccccc1CC(N)C(=O)O Amb19029523 [0,0,1,0,1,0|1,0,1]=4 715 B14R1.3135 CNc1ncccc1CC(N)C(=O)O Amb27748173 [0,0,1,0,1,0|1,0,1]=4 716 B14R1.3135 COc1ccccc1CC(N)C(=O)O Amb2697485 [0,0,1,0,1,0|1,0,1]=4 717 B14R1.3135 COc1ccccc1C[C@@H](N)C(=O)O Amb19063345 [0,0,1,0,1,0|1,0,1]=4 718 B14R1.3135 COc1ccccc1C[C@H](N)C(=O)O Amb22641421 [0,0,1,0,1,0|1,0,1]=4 719 B14R1.3135 COc1ccccc1C[C@H](N)C(=O)O Amb2699193 [0,0,1,0,1,0|1,0,1]=4 720 B14R1.3135 CSc1ccccc1CC(N)C(=O)O Amb33448512 [0,0,1,0,1,0|1,0,1]=4 721 B14R1.3135 N#Cc1ccccc1CC(N)C(=O)O Amb21858527 [0,0,1,0,1,0|2,0,0]=4 722 B14R1.3135 N#Cc1ccccc1C[C@@H](N)C(=O)O Amb8397026 [0,0,1,0,1,0|2,0,0]=4 723 B14R1.3135 N#Cc1ccccc1C[C@H](N)C(=O)O Amb8397025 [0,0,1,0,1,0|2,0,0]=4 724 B14R1.3135 NCc1ccccc1CC(N)C(=O)O Amb33330212 [0,0,1,0,1,0|2,0,0]=4 725 B14R1.3135 NCc1ccccc1CC(N)C(=O)O Amb33330213 [0,0,1,0,1,0|2,0,0]=4 726 B14R1.3135 NCc1ccccc1C[C@@H](N)C(=O)O Amb8397032 [0,0,1,0,1,0|2,0,0]=4 727 B14R1.1027 NC(C(=O)O)\C(=N\O)c1ccccc1 Amb28383538 [0,0,1,0,1,0|2,0,0]=4 728 B14R1.6449 CC(C\C=C\c1ccccc1)C(=O)O Amb33082406 [0,0,1,0,1,0|1,0,0]=3 729 B14R1.6449 C[C@H](N\C=C\c1ccccc1)C(=O)O Amb16231751 [0,0,1,0,1,0|2,0,0]=4 730 B14R1.6449 NC(CCCc1ccccc1)C(=O)O Amb19342362 [0,0,1,0,1,0|0,0,2]=4 731 B14R1.6449 NC(CCCc1ccccc1)C(=O)O Amb9726682 [0,0,1,0,1,0|0,0,2]=4 732 B14R1.6449 NC(CCOc1ccccc1)C(=O)O Amb32752690 [0,0,1,0,1,0|1,0,1]=4 733 B14R1.6449 NC(CCOc1ccccc1)C(=O)O Amb33547968 [0,0,1,0,1,0|1,0,1]=4 734 B14R1.6449 NC(CCSc1ccccc1)C(=O)O Amb28653163 [0,0,1,0,1,0|1,0,1]=4 735 B14R1.6449 NC(CNCc1ccccc1)C(=O)O Amb26032867 [0,0,1,0,1,0|1,0,1]=4 736 B14R1.6449 NC(CNCc1ccccc1)C(=O)O Amb28750769 [0,0,1,0,1,0|1,0,1]=4 737 B14R1.6449 NC(COCc1ccccc1)C(=O)O Amb3941669 [0,0,1,0,1,0|1,0,1]=4 738 B14R1.6449 NC(CSCc1ccccc1)C(=O)O Amb9726318 [0,0,1,0,1,0|1,0,1]=4 739 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O Amb6270143 [0,0,1,0,1,0|0,0,0]=2 740 B14R1.6449 N[C@@H](CC#Cc1ccccc1)C(=O)O Amb27874967 [0,0,1,0,1,0|0,0,2]=4 741 B14R1.6449 N[C@@H](CCCc1ccccc1)C(=O)O Amb20241024 [0,0,1,0,1,0|0,0,2]=4 742 B14R1.6449 N[C@@H](CCOc1ccccc1)C(=O)O Amb32667500 [0,0,1,0,1,0|1,0,1]=4 743 B14R1.6449 N[C@@H](COCc1ccccc1)C(=O)O Amb2760730 [0,0,1,0,1,0|1,0,1]=4 744 B14R1.6449 N[C@@H](COCc1ccccc1)C(=O)O Amb31289420 [0,0,1,0,1,0|1,0,1]=4 745 B14R1.6449 N[C@@H](CSCc1ccccc1)C(=O)O Amb533304 [0,0,1,0,1,0|1,0,1]=4 746 B14R1.6449 N[C@@H](C\C=C\c1ccccc1)C(=O)O Amb22746168 [0,0,1,0,1,0|0,0,0]=2 747 B14R1.6449 N[C@H](CCCc1ccccc1)C(=O)O Amb6295896 [0,0,1,0,1,0|0,0,2]=4 748 B14R1.6449 N[C@H](CCOc1ccccc1)C(=O)O Amb32668011 [0,0,1,0,1,0|1,0,1]=4 749 B14R1.6449 N[C@H](CCOc1ccccc1)C(=O)O Amb32668012 [0,0,1,0,1,0|1,0,1]=4 750 B14R1.6449 N[C@H](CNCc1ccccc1)C(=O)O Amb8389449 [0,0,1,0,1,0|1,0,1]=4 751 B14R1.6449 N[C@H](COCc1ccccc1)C(=O)O Amb19944297 [0,0,1,0,1,0|1,0,1]=4 752 B14R1.6449 N[C@H](COCc1ccccc1)C(=O)O Amb3938903 [0,0,1,0,1,0|1,0,1]=4 753 B14R1.6449 N[C@H](CSCc1ccccc1)C(=O)O Amb8389452 [0,0,1,0,1,0|1,0,1]=4 754 B14R1.6449 N[C@H](C\C=C\c1ccccc1)C(=O)O Amb34912482 [0,0,1,0,1,0|0,0,0]=2 755 B14R1.6449 O=C(O)C(=O)C\C=C\c1ccccc1 Amb33081312 [0,0,1,0,1,0|1,0,1]=4 756 B14R1.6449 O=C(O)C(O)C\C=C\c1ccccc1 Amb32954515 [0,0,1,0,1,0|1,0,0]=3 757 B14R2.95 C=CC(N)c1coc2ccccc12 Amb25291360 [1,0,0,0,1,0|2,0,0]=4 758 B14R2.95 C=CC(N)c1csc2ccccc12 Amb25989336 [1,0,0,0,1,0|2,0,0]=4 759 B14R2.95 C=C[C@@H](N)c1csc2ccccc12 Amb27468593 [1,0,0,0,1,0|2,0,0]=4 760 B14R2.95 CC(C=O)c1csc2ccccc12 Amb24492430 [1,0,0,0,1,0|2,0,0]=4 761 B14R2.95 NC(CO)c1coc2ccccc12 Amb28316514 [1,0,0,0,1,0|1,0,1]=4 762 B14R2.95 NC(CO)c1csc2ccccc12 Amb18963399 [1,0,0,0,1,0|1,0,1]=4 763 B14R2.95 N[C@@H](CO)c1csc2ccccc12 Amb27873960 [1,0,0,0,1,0|1,0,1]=4 764 B14R2.95 N[C@H](CO)c1csc2ccccc12 Amb28043058 [1,0,0,0,1,0|1,0,1]=4 765 B14R2.95 O=CC(O)c1coc2ccccc12 Amb35704118 [1,0,0,0,1,0|2,0,0]=4 766 B16R2.5347 NC(CO)Cc1ccc2ccccc2c1 Amb24056375 [1,0,0,0,0,1|1,0,1]=4 767 B16R2.5347 NC(CO)Cc1ccc2ccccc2n1 Amb33358975 [1,0,0,0,0,1|1,0,1]=4 768 B16R2.5347 NC(CO)Cc1cnc2ccccc2c1 Amb33171436 [1,0,0,0,0,1|0,0,2]=4 769 B16R2.5347 NC(CO)Cc1cnc2ccccc2n1 Amb33358194 [1,0,0,0,0,1|0,0,2]=4 770 B16R2.170412 NC(CO)Cc1cccc2ccccc12 Amb32953908 [1,0,0,0,0,1|1,0,1]=4 771 B16R2.170412 NC(CO)Cc1ccnc2ccccc12 Amb33080386 [1,0,0,0,0,1|0,0,2]=4 772 B16R2.36 O=C(O)CCCc1cnc2ccccn12 Amb33147740 [1,0,0,0,0,1|1,0,1]=4 773 B16R2.36 O=C(O)CCCc1cnn2ccccc12 Amb33147741 [1,0,0,0,0,1|1,0,1]=4 774 B16R2.36 O=C(O)CCCc1csc2ccccc12 Amb7808731 [1,0,0,0,0,1|1,0,0]=3 775 B16R2.36 O=C(O)CCCn1ccc2ccccc21 Amb6717212 [1,0,0,0,0,1|2,0,0]=4 776 B16R2.36 O=C(O)CCCn1cnc2ccccc21 Amb5846621 [1,0,0,0,0,1|1,0,1]=4 777 B16R2.36 O=C(O)CCNc1nsc2ccccc12 Amb1109757 [1,0,0,0,0,1|2,0,0]=4 778 B16R2.36 O=C(O)CCOc1noc2ccccc12 Amb18780012 [1,0,0,0,0,1|2,0,0]=4 779 B16R2.36 O=C(O)C\C=C\c1coc2ccccc12 Amb31116302 [1,0,0,0,0,1|1,0,1]=4 780 B16R2.36 O=C(O)C\C=C\c1csc2ccccc12 Amb31175427 [1,0,0,0,0,1|1,0,1]=4 781 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 Amb28041962 [1,0,0,0,0,1|2,0,0]=4 782 B16R2.477 CC(=O)CCc1ccc2ccccc2n1 Amb25122255 [1,0,0,0,0,1|2,0,0]=4 783 B16R2.477 CC(=O)CCc1cnc2ccccc2c1 Amb8454845 [1,0,0,0,0,1|1,0,1]=4 784 B16R2.477 CC(=O)CCc1cnc2ccccc2n1 Amb24648465 [1,0,0,0,0,1|1,0,1]=4 785 B16R2.477 O=C(O)CCC1=Cc2ccccc2OC1 Amb17108942 [1,0,0,0,0,1|1,0,1]=4 786 B16R2.477 O=C(O)CCC1CNc2ccccc2C1 Amb31142883 [1,0,0,0,0,1|0,0,2]=4 787 B16R2.477 O=C(O)CCc1ccc2ccccc2c1 Amb3934499 [1,0,0,0,0,1|1,0,0]=3 788 B16R2.477 O=C(O)CCc1ccc2ccccc2n1 Amb2320110 [1,0,0,0,0,1|1,0,0]=3 789 B16R2.477 O=C(O)CCc1ccc2cccnc2c1 Amb18354032 [1,0,0,0,0,1|2,0,0]=4 790 B16R2.477 O=C(O)CCc1ccc2ccncc2c1 Amb18353951 [1,0,0,0,0,1|2,0,0]=4 791 B16R2.477 O=C(O)CCc1ccc2cnccc2c1 Amb18353952 [1,0,0,0,0,1|2,0,0]=4 792 B16R2.477 O=C(O)CCc1ccc2ncccc2c1 Amb18354030 [1,0,0,0,0,1|2,0,0]=4 793 B16R2.477 O=C(O)CCc1cnc2ccccc2c1 Amb18653534 [1,0,0,0,0,1|0,0,1]=3 794 B16R2.477 O=C(O)CCc1cnc2ccccc2n1 Amb21955317 [1,0,0,0,0,1|0,0,1]=3 795 B16R2.477 O=C(O)CCc1ncc2ccccc2n1 Amb18137487 [1,0,0,0,0,1|2,0,0]=4 796 B16R2.477 O=C(O)CCc1nnc2ccccc2n1 Amb18864732 [1,0,0,0,0,1|1,0,1]=4 797 B16R2.477 O=C(O)CNc1ccc2ccccc2c1 Amb4598585 [1,0,0,0,0,1|2,0,0]=4 798 B16R2.477 O=C(O)CNc1ccc2ccccc2n1 Amb6262374 [1,0,0,0,0,1|2,0,0]=4 799 B16R2.477 O=C(O)CNc1cnc2ccccc2c1 Amb18933565 [1,0,0,0,0,1|1,0,1]=4 800 B16R2.477 O=C(O)COc1ccc2ccccc2c1 Amb1830480 [1,0,0,0,0,1|2,0,0]=4 801 B16R2.477 O=C(O)COc1ccc2ccccc2n1 Amb25193627 [1,0,0,0,0,1|2,0,0]=4 802 B16R2.477 O=C(O)COc1cnc2ccccc2c1 Amb27870338 [1,0,0,0,0,1|1,0,1]=4 803 B16R2.477 O=C(O)COc1cnc2ccccc2n1 Amb2445489 [1,0,0,0,0,1|1,0,1]=4 804 B16R2.477 O=C(O)CSc1ccc2ccccc2c1 Amb1212229 [1,0,0,0,0,1|2,0,0]=4 805 B16R2.477 O=C(O)CSc1cnc2ccccc2n1 Amb1548001 [1,0,0,0,0,1|1,0,1]=4 806 B16R2.179941 CC(=O)CCc1cccc2ccccc12 Amb9031575 [1,0,0,0,0,1|2,0,0]=4 807 B16R2.179941 CC(=O)CCc1ccnc2ccccc12 Amb24734114 [1,0,0,0,0,1|1,0,1]=4 808 B16R2.179941 CC(=O)CCc1cncc2ccccc12 Amb24345143 [1,0,0,0,0,1|1,0,1]=4 809 B16R2.179941 NC(=O)CCc1nccc2ccccc12 Amb18353969 [1,0,0,0,0,1|2,0,0]=4 810 B16R2.179941 O=C(O)CCC1CCNc2ccccc21 Amb19515514 [1,0,0,0,0,1|0,0,2]=4 811 B16R2.179941 O=C(O)CCc1cccc2ccccc12 Amb2610656 [1,0,0,0,0,1|1,0,0]=3 812 B16R2.179941 O=C(O)CCc1cccc2ccncc12 Amb18353954 [1,0,0,0,0,1|2,0,0]=4 813 B16R2.179941 O=C(O)CCc1cccc2cnccc12 Amb16232776 [1,0,0,0,0,1|2,0,0]=4 814 B16R2.179941 O=C(O)CCc1cccc2ncccc12 Amb27649551 [1,0,0,0,0,1|2,0,0]=4 815 B16R2.179941 O=C(O)CCc1ccnc2ccccc12 Amb18653535 [1,0,0,0,0,1|0,0,1]=3 816 B16R2.179941 O=C(O)CCc1ccnc2cccnc12 Amb25126015 [1,0,0,0,0,1|1,0,1]=4 817 B16R2.179941 O=C(O)CCc1ccnc2ncccc12 Amb32713341 [1,0,0,0,0,1|1,0,1]=4 818 B16R2.179941 O=C(O)CCc1cncc2ccccc12 Amb19106146 [1,0,0,0,0,1|0,0,1]=3 819 B16R2.179941 O=C(O)CCc1nccc2ccccc12 Amb18653508 [1,0,0,0,0,1|1,0,0]=3 820 B16R2.179941 O=C(O)CCc1ncnc2ccccc12 Amb18137489 [1,0,0,0,0,1|0,0,1]=3 821 B16R2.179941 O=C(O)CNc1ccnc2ccccc12 Amb18291609 [1,0,0,0,0,1|1,0,1]=4 822 B16R2.179941 O=C(O)CNc1ncnc2ccccc12 Amb1210962 [1,0,0,0,0,1|1,0,1]=4 823 B16R2.179941 O=C(O)CNc1ncnc2ccccc12 Amb17740098 [1,0,0,0,0,1|1,0,1]=4 824 B16R2.179941 O=C(O)COc1cccc2ccccc12 Amb6336448 [1,0,0,0,0,1|2,0,0]=4 825 B16R2.179941 O=C(O)COc1ccnc2ccccc12 Amb22642035 [1,0,0,0,0,1|1,0,1]=4 826 B16R2.179941 O=C(O)COc1ncnc2ccccc12 Amb2537185 [1,0,0,0,0,1|1,0,1]=4 827 B16R2.179941 O=C(O)CSc1cccc2ccccc12 Amb2760435 [1,0,0,0,0,1|2,0,0]=4 828 B16R2.179941 O=C(O)CSc1ccnc2ccccc12 Amb8422661 [1,0,0,0,0,1|1,0,1]=4 829 B16R2.179941 O=C(O)CSc1cnnc2ccccc12 Amb17516094 [1,0,0,0,0,1|1,0,1]=4 830 B16R2.179941 O=C(O)CSc1nccc2ccccc12 Amb2722141 [1,0,0,0,0,1|2,0,0]=4 831 B16R2.179941 O=C(O)CSc1ncnc2ccccc12 Amb1195853 [1,0,0,0,0,1|1,0,1]=4 832 B18R2.12980 CC(CCc1ccc2ccccc2c1)C(=O)O Amb33362143 [0,0,0,0,0,2|2,0,0]=4 833 B18R2.12980 CC(CCc1ccc2ccccc2n1)C(=O)O Amb33473911 [0,0,0,0,0,2|2,0,0]=4 834 B18R2.12980 CC(CCc1cnc2ccccc2c1)C(=O)O Amb33323547 [0,0,0,0,0,2|1,0,1]=4 835 B18R2.12980 CC(CCc1cnc2ccccc2n1)C(=O)O Amb33378900 [0,0,0,0,0,2|1,0,1]=4 836 B18R2.12980 CC(COc1ccc2ccccc2c1)C(=O)O Amb9399634 [0,0,0,0,0,2|2,0,0]=4 837 B18R2.12980 NC(CCc1ccc2ccccc2c1)C(=O)O Amb23598287 [0,0,0,0,0,2|1,0,0]=3 838 B18R2.12980 N[C@@H](CCc1ccc2ccccc2c1)C(=O)O Amb34913961 [0,0,0,0,0,2|1,0,0]=3 839 B18R2.12980 N[C@H](CCc1ccc2ccccc2c1)C(=O)O Amb34154638 [0,0,0,0,0,2|1,0,0]=3 840 B18R2.2417296 CC(CCc1cccc2ccccc12)C(=O)O Amb4019782 [0,0,0,0,0,2|2,0,0]=4 841 B18R2.2417296 CC(CCc1ccnc2ccccc12)C(=O)O Amb33226604 [0,0,0,0,0,2|1,0,1]=4 842 B18R2.2417296 CC(COc1cccc2ccccc12)C(=O)O Amb9399601 [0,0,0,0,0,2|2,0,0]=4 843 B18R2.2417296 CC(NCc1cccc2ccccc12)C(=O)O Amb9327005 [0,0,0,0,0,2|2,0,0]=4 844 B18R2.71948 NC(CC(=O)O)Cc1ccc2ccccc2c1 Amb24061848 [0,0,0,0,0,2|1,0,0]=3 845 B18R2.71948 N[C@@H](CC(=O)O)Cc1ccc2ccccc2c1 Amb16232543 [0,0,0,0,0,2|1,0,0]=3 846 B18R2.71948 N[C@H](CC(=O)O)Cc1ccc2ccccc2c1 Amb22746268 [0,0,0,0,0,2|1,0,0]=3 847 B18R2.2880857 NC(CC(=O)O)Cc1cccc2ccccc12 Amb24061846 [0,0,0,0,0,2|1,0,0]=3 848 B18R2.2880857 N[C@H](CC(=O)O)Cc1cccc2ccccc12 Amb22746266 [0,0,0,0,0,2|1,0,0]=3