0 B19R3.2370 c1ccc(CCC2NCc3ccccc32)cc1 Amb31163175 [0,0,0,0,0,0|3,0,1]=4 1 B19R3.2370 c1ccc(CCn2ccc3ccccc32)cc1 Amb17244982 [0,0,0,0,0,0|3,0,0]=3 2 B19R3.2370 c1ccc(CNc2nsc3ccccc23)cc1 Amb25662167 [0,0,0,0,0,0|4,0,0]=4 3 B19R3.2370 c1ccc(CNc2onc3ccccc23)cc1 Amb8388911 [0,0,0,0,0,0|3,0,1]=4 4 B20R3.2931 NC(Cn1cnc2ccccc21)c3ccccc3 Amb1140119 [0,1,0,0,0,0|2,0,1]=4 5 B20R3.2931 OC(CN1CCc2ccccc21)c3ccncc3 Amb17158938 [0,1,0,0,0,0|2,0,1]=4 6 B20R3.2931 OC(Cn1ccc2ccccc21)c3ccccc3 Amb2613645 [0,1,0,0,0,0|3,0,0]=4 7 B20R3.2931 OC(Cn1cnc2ccccc21)c3ccccc3 Amb1971109 [0,1,0,0,0,0|2,0,1]=4 8 B20R3.5850 Nc1ccc2c(c1)ncn2CCc3ccccc3 Amb1073324 [0,1,0,0,0,0|2,0,1]=4 9 B20R3.5850 Nc1ccc2c(c1)ncn2CCc3ccccc3 Amb2452808 [0,1,0,0,0,0|2,0,1]=4 10 B20R3.8097 Nc1ccccc1CCc2coc3ccccc23 Amb31174915 [0,1,0,0,0,0|2,0,0]=3 11 B20R3.13142 Cc1cc2ccccn2c1CCc3ccncc3 Amb24065743 [0,1,0,0,0,0|2,0,0]=3 12 B20R3.13142 O=C1Nc2ccccc2\C1=N\Cc3ccccc3 Amb22360106 [0,1,0,0,0,0|2,0,0]=3 13 B20R3.13142 O=C1Oc2ccccc2N1CCc3ccccc3 Amb18526128 [0,1,0,0,0,0|3,0,0]=4 14 B20R3.13142 O=C1Sc2ccccc2N1CCc3ccccc3 Amb18003964 [0,1,0,0,0,0|3,0,0]=4 15 B20R3.13142 Sc1nc2ccccc2n1CCc3ccccc3 Amb6321668 [0,1,0,0,0,0|2,0,1]=4 16 B20R3.3470528 Cn1cc(CCc2ccncc2)c3ccccc31 Amb24064705 [0,1,0,0,0,0|0,0,0]=1 17 B18R2.2525 C(=C\Nc1ccccc1)/C=N/c2ccccc2 Amb1419375 [0,0,1,0,0,0|2,0,1]=4 18 B18R2.2525 C(=C\Nc1ccccc1)/C=N/c2ccccc2 Amb33715370 [0,0,1,0,0,0|2,0,1]=4 19 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccncc2 Amb22528714 [0,0,1,0,0,0|2,0,1]=4 20 B18R2.2525 c1ccc(CCCCNc2ccccc2)cc1 Amb28728654 [0,0,1,0,0,0|1,0,2]=4 21 B18R2.2525 c1ccc(CCNCCc2ccncc2)cc1 Amb33482931 [0,0,1,0,0,0|2,0,1]=4 22 B18R2.2525 c1ccc(CNCCCc2ccncc2)cc1 Amb2694637 [0,0,1,0,0,0|2,0,1]=4 23 B18R2.3606 N#CC(CCc1ccncc1)c2ccccc2 Amb17245662 [0,0,1,0,0,0|0,0,3]=4 24 B18R2.4001 CN(CCc1ccncc1)c2ncccc2N Amb17067583 [0,0,1,0,0,0|2,0,1]=4 25 B18R2.4001 C\C(=N\Cc1ccccc1)c2ccccc2N Amb27810357 [0,0,1,0,0,0|2,0,1]=4 26 B18R2.4001 Cc1ccccc1C(=O)CCc2ccccc2 Amb6303696 [0,0,1,0,0,0|3,0,0]=4 27 B18R2.4001 Nc1ccccc1C(=O)NCc2ccccc2 Amb6334950 [0,0,1,0,0,0|3,0,0]=4 28 B18R2.4001 Nc1ccccc1C(=O)NCc2ccncc2 Amb2736560 [0,0,1,0,0,0|2,0,0]=3 29 B18R2.4001 Nc1ccccc1C(=O)OCc2ccccc2 Amb2684622 [0,0,1,0,0,0|3,0,0]=4 30 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2Cl Amb6303724 [0,0,1,0,0,0|3,0,0]=4 31 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2F Amb6303725 [0,0,1,0,0,0|3,0,0]=4 32 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2O Amb3940305 [0,0,1,0,0,0|3,0,0]=4 33 B18R3.2098 c1ccc(CC2CNc3ccccc32)cc1 Amb17240364 [0,0,0,0,1,0|1,0,2]=4 34 B18R3.2098 c1ccc(C[n+]2csc3ccccc32)cc1 Amb3993671 [0,0,0,0,1,0|3,0,0]=4 35 B18R3.2098 c1ccc(Cn2ccc3ccccc32)cc1 Amb6353698 [0,0,0,0,1,0|3,0,0]=4 36 B18R3.2098 c1ccc(Cn2cnc3ccccc32)cc1 Amb1219763 [0,0,0,0,1,0|2,0,1]=4 37 B20R3.2720 C(=C\c1cccc2ccccc12)/c3ccncc3 Amb22496673 [0,0,0,0,0,1|1,0,2]=4 38 B20R3.2720 c1ccc(CCN2CCNc3ccccc32)cc1 Amb17254366 [0,0,0,0,0,1|2,0,1]=4 39 B20R3.2720 c1ccc(CNc2cccc3ccccc23)cc1 Amb839001 [0,0,0,0,0,1|3,0,0]=4 40 B20R3.2720 c1ccc(CNc2ccnc3ccccc23)cc1 Amb27241807 [0,0,0,0,0,1|2,0,1]=4 41 B20R3.2720 c1ccc(CNc2nccc3ccccc23)cc1 Amb3997915 [0,0,0,0,0,1|3,0,0]=4 42 B20R3.2720 c1ccc(CNc2ncnc3ccccc23)cc1 Amb2554311 [0,0,0,0,0,1|2,0,1]=4 43 B20R3.2720 c1ccc(COc2cccc3ccccc23)cc1 Amb6360521 [0,0,0,0,0,1|3,0,0]=4 44 B20R3.2720 c1ccc(COc2ncnc3ccccc23)cc1 Amb28070242 [0,0,0,0,0,1|2,0,1]=4 45 B20R3.2720 c1ccc(NCc2cccc3ccccc23)cc1 Amb838169 [0,0,0,0,0,1|3,0,0]=4 46 B20R3.2720 c1cnc2ncnc(NCc3ccncc3)c2c1 Amb16888831 [0,0,0,0,0,1|2,0,1]=4 47 B20R3.2725 c1ccc(CNCC2CNc3ccccc32)cc1 Amb24761160 [0,0,0,0,0,1|1,0,2]=4 48 B20R3.2725 c1ccc(OCCn2ccc3ccccc32)cc1 Amb17253683 [0,0,0,0,0,1|3,0,0]=4 49 B20R3.2725 c1ccc(OCCn2cnc3ccccc32)cc1 Amb1054302 [0,0,0,0,0,1|2,0,1]=4 50 B20R3.30190 c1ccc(CCc2ccc3ccccc3n2)cc1 Amb16225646 [0,0,0,0,0,1|2,0,0]=3 51 B20R3.30190 c1ccc(CNc2ccc3ccccc3c2)cc1 Amb838929 [0,0,0,0,0,1|3,0,0]=4 52 B20R3.30190 c1ccc(CNc2cnc3ccccc3c2)cc1 Amb9556821 [0,0,0,0,0,1|2,0,1]=4 53 B20R3.30190 c1ccc(COc2ccc3ccccc3c2)cc1 Amb2617115 [0,0,0,0,0,1|3,0,0]=4 54 B20R3.30190 c1ccc(COc2cnc3ccccc3c2)cc1 Amb28289828 [0,0,0,0,0,1|2,0,1]=4 55 B20R3.30190 c1ccc(CSc2ccc3ccccc3n2)cc1 Amb4011980 [0,0,0,0,0,1|3,0,0]=4 56 B17R2.3956 Nc1ccccc1NCCc2ccccc2 Amb1103711 [1,0,1,0,0,0|2,0,0]=4 57 B17R2.3956 Nc1ccccc1NCCc2ccccc2 Amb2603080 [1,0,1,0,0,0|2,0,0]=4 58 B17R2.3956 Nc1ccccc1NCCc2ccncc2 Amb19009293 [1,0,1,0,0,0|1,0,0]=3 59 B17R2.3956 Nc1ccccc1OCCc2ccccc2 Amb1112568 [1,0,1,0,0,0|2,0,0]=4 60 B17R2.3956 Nc1cccnc1NCCc2ccncc2 Amb32418468 [1,0,1,0,0,0|2,0,0]=4 61 B17R2.2342 NC(CCc1ccccc1)c2ccccc2 Amb10609173 [1,0,1,0,0,0|1,0,1]=4 62 B17R2.2342 NC(CCc1ccccc1)c2ccccc2 Amb5737005 [1,0,1,0,0,0|1,0,1]=4 63 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 Amb2228399 [1,0,1,0,0,0|2,0,0]=4 64 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 Amb2660640 [0,1,1,0,0,0|1,0,1]=4 65 B19R2.16162 O=C(CCc1ccccc1)NNc2ccccc2 Amb2775788 [0,1,1,0,0,0|2,0,0]=4 66 B19R2.4401 Nc1c(Cl)cccc1C(=O)NCc2ccncc2 Amb18938217 [0,1,1,0,0,0|2,0,0]=4 67 B19R2.4480 CN(Cc1ccncc1)C(=O)c2ccccc2N Amb9426817 [0,1,1,0,0,0|2,0,0]=4 68 B19R2.4531 CN(CCc1ccncc1)c2ccc(Cl)cc2N Amb18589775 [0,1,1,0,0,0|1,0,1]=4 69 B19R2.50154 Cc1cnccc1CNC(=O)c2ccccc2N Amb31104091 [0,1,1,0,0,0|2,0,0]=4 70 B19R3.288 O=C1Nc2ccccc2C1Cc3ccccc3 Amb2744754 [0,1,0,0,1,0|1,0,1]=4 71 B19R3.288 O=C1Nc2ccccc2N1Cc3ccccc3 Amb18537191 [0,1,0,0,1,0|2,0,0]=4 72 B19R3.288 O=C1Nc2ccccc2N1Cc3ccncc3 Amb18538707 [0,1,0,0,1,0|1,0,0]=3 73 B19R3.288 O=C1Nc2ccccc2\C1=C/c3ccccc3 Amb3698403 [0,1,0,0,1,0|1,0,1]=4 74 B19R3.288 O=C1Nc2ccccc2\C1=C\c3ccccc3 Amb1817868 [0,1,0,0,1,0|1,0,1]=4 75 B19R3.288 O=C1Nc2ccccc2\C1=N/c3ccccc3 Amb20527651 [0,1,0,0,1,0|2,0,0]=4 76 B19R3.288 O=C1Nc2ccccc2\C1=N\c3ccccc3 Amb1774503 [0,1,0,0,1,0|2,0,0]=4 77 B19R3.288 S=C1Nc2ccccc2N1Cc3ccccc3 Amb19205278 [0,1,0,0,1,0|2,0,0]=4 78 B19R3.288 Sc1nc2ccccc2n1Cc3ccncc3 Amb7802247 [0,1,0,0,1,0|1,0,1]=4 79 B19R3.2487 NC(c1ccccc1)c2csc3ccccc23 Amb9212769 [0,1,0,0,1,0|2,0,0]=4 80 B19R3.2487 O=C(c1ccncc1)c2coc3ccccc23 Amb31163025 [0,1,0,0,1,0|1,0,1]=4 81 B19R3.8943 O=C1Nc2ccccc2N1CCc3cccs3 Amb18036125 [0,1,0,0,1,0|2,0,0]=4 82 B21R3.8413 Nc1ccc2c(NCc3ccncc3)nccc2c1 Amb19098112 [0,1,0,0,0,1|2,0,0]=4 83 B21R3.19514 Clc1cc2ccccc2c(NCc3ccncc3)n1 Amb19097790 [0,1,0,0,0,1|2,0,0]=4 84 B21R3.19514 Clc1nc(NCc2ccncc2)c3ccccc3n1 Amb5785753 [0,1,0,0,0,1|1,0,1]=4 85 B21R3.19514 O=C1C=C(OCc2ccccc2)c3ccccc3N1 Amb22651667 [0,1,0,0,0,1|2,0,0]=4 86 B21R3.393077 Brc1cccc2c(NCc3ccncc3)ncnc12 Amb16887744 [0,1,0,0,0,1|1,0,1]=4 87 B21R3.433959 Cc1cnc(NCc2ccncc2)c3ccccc13 Amb18456665 [0,1,0,0,0,1|2,0,0]=4 88 B21R3.521193 CN(Cc1cccc2ccccc12)c3ccncc3 Amb29523008 [0,1,0,0,0,1|2,0,0]=4 89 B21R3.19837 N=C1Nc2ccccc2N1CCCc3ccccc3 Amb22388936 [0,1,0,0,0,1|2,0,0]=4 90 B21R3.19837 O=C1Nc2ccccc2N1CCCc3ccccc3 Amb18538973 [0,1,0,0,0,1|2,0,0]=4 91 B21R3.19837 O=C1Nc2ccccc2N1CCOc3ccccc3 Amb18537192 [0,1,0,0,0,1|2,0,0]=4 92 B21R3.19837 O=C1Nc2ccccc2\C1=N\NCc3ccccc3 Amb6210630 [0,1,0,0,0,1|2,0,0]=4 93 B21R3.4959521 Cn1cc(CNCc2ccccc2)c3ccccc31 Amb21969126 [0,1,0,0,0,1|1,0,0]=3 94 B21R3.4959521 Cn1cc(CNCc2ccccc2)c3ccccc31 Amb22519051 [0,1,0,0,0,1|1,0,0]=3 95 B21R3.4959521 Cn1cc(CNCc2ccccn2)c3ccccc31 Amb22534055 [0,1,0,0,0,1|2,0,0]=4 96 B21R3.4959521 Cn1cc(CNCc2cccnc2)c3ccccc31 Amb22535503 [0,1,0,0,0,1|2,0,0]=4 97 B21R3.4959521 Cn1cc(CNCc2ccncc2)c3ccccc31 Amb22534056 [0,1,0,0,0,1|0,0,0]=2 98 B21R3.505 O=C1Nc2ccccc2N=C1NCc3ccccc3 Amb19654372 [0,1,0,0,0,1|2,0,0]=4 99 B21R3.24438 O=C(Cc1ccncc1)c2ccc3ccccc3c2 Amb9175373 [0,1,0,0,0,1|1,0,1]=4 100 B21R3.24492 NC(Cc1ccc2ccccc2n1)c3ccccc3 Amb9206049 [0,1,0,0,0,1|2,0,0]=4 101 B21R3.24492 OC(Cc1cnc2ccccc2n1)c3ccccc3 Amb2691344 [0,1,0,0,0,1|1,0,1]=4 102 B21R3.218733 Nc1ccccc1CCc2ccc3ccccc3n2 Amb9870441 [0,1,0,0,0,1|2,0,0]=4 103 B21R3.444247 O=c1cc(CCc2ccccc2)oc3ccccc13 Amb24089700 [0,1,0,0,0,1|2,0,0]=4 104 B21R3.661650 O=C1Nc2ccccc2N1CCc3ccc(Cl)cc3 Amb18539161 [0,2,0,0,0,0|2,0,0]=4 105 B21R3.661650 O=C1Nc2ccccc2N1CCc3ccc(F)cc3 Amb18539012 [0,2,0,0,0,0|2,0,0]=4 106 B21R3.19579 O=C1Nc2ccccc2\C1=C\C(=O)c3ccncc3 Amb32667142 [0,2,0,0,0,0|0,0,2]=4 107 B21R3.442558 O=C1Nc2ccccc2N1CCc3ccccc3F Amb18539011 [0,2,0,0,0,0|2,0,0]=4 108 B21R3.7442827 O=C1Nc2ccccc2N1CCc3cccc(Cl)c3 Amb18539162 [0,2,0,0,0,0|2,0,0]=4 109 B19R3.27 c1ccc(C2=NNC(c3ccccc3)C2)cc1 Amb2264581 [0,0,1,1,0,0|2,0,0]=4 110 B19R3.9171 O=C1CC(c2ccccc2)Nc3ccccc31 Amb8439860 [0,0,1,1,0,0|2,0,0]=4 111 B19R3.9171 O=C1NC(c2ccncc2)Nc3ccccc31 Amb1231606 [0,0,1,1,0,0|2,0,0]=4 112 B19R4.2073 c1ccc2c(c1)CC3=C2Cc4ccccc43 Amb4012573 [0,0,0,1,1,0|2,0,0]=4 113 B17R2.2382 c1ccc(CCCNc2ccccc2)cc1 Amb4313446 [0,0,1,0,1,0|1,0,1]=4 114 B17R2.2382 c1ccc(CNCCc2ccncc2)cc1 Amb2592523 [0,0,1,0,1,0|1,0,1]=4 115 B17R2.162 NCC(Cc1ccncc1)c2ccccc2 Amb5733599 [0,0,1,0,1,0|0,0,2]=4 116 B17R2.162 O=CC(Cc1ccncc1)c2ccccc2 Amb5749233 [0,0,1,0,1,0|1,0,1]=4 117 B17R2.162 O=C\C(=C\c1ccncc1)c2ccccc2 Amb17339289 [0,0,1,0,1,0|1,0,1]=4 118 B17R2.3417 Nc1ccccc1C(=O)Cc2ccccc2 Amb6315840 [0,0,1,0,1,0|2,0,0]=4 119 B17R2.3417 Nc1ccccc1C(=O)Nc2ccncc2 Amb33536542 [0,0,1,0,1,0|2,0,0]=4 120 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2Cl Amb22753966 [0,0,1,0,1,0|2,0,0]=4 121 B17R3.8 C1=C(c2ccccc2)c3ccccc3C1 Amb17778883 [0,0,0,0,2,0|2,0,0]=4 122 B17R3.8 c1ccc(-c2coc3ccccc23)cc1 Amb10067083 [0,0,0,0,2,0|2,0,0]=4 123 B19R2.4485 Nc1ccccc1CC(=O)NCc2ccncc2 Amb6624080 [0,0,1,0,0,1|2,0,0]=4 124 B19R2.4485 Nc1ccccc1NC(=O)CCc2ccccc2 Amb1140148 [0,0,1,0,0,1|2,0,0]=4 125 B19R2.5666 Nc1ccccc1C(=O)NCCc2ccccc2 Amb6315842 [0,0,1,0,0,1|2,0,0]=4 126 B19R2.5666 Nc1ccccc1C(=O)OCCc2ccccc2 Amb17307696 [0,0,1,0,0,1|2,0,0]=4 127 B21R3.3124 c1ccc(CNCc2cccc3ccccc23)cc1 Amb1850855 [0,0,0,0,0,2|2,0,0]=4 128 B21R3.3124 c1ccc2c(CNCc3ccncc3)cccc2c1 Amb837988 [0,0,0,0,0,2|1,0,0]=3