0 B18R2.311 C=C(C)Cc1ccc(Oc2ccccc2)cc1 Amb6299237 [0,0,0,0,0,0|2,0,2]=4 1 B18R2.311 CC(=O)Cc1ccc(Oc2ccccc2)cc1 Amb6298654 [0,0,0,0,0,0|3,0,1]=4 2 B18R2.311 CC(=O)Nc1ccc(Cc2ccncc2)cc1 Amb6334951 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.311 CC(=O)Nc1ccc(Oc2ccccc2)cc1 Amb6346676 [0,0,0,0,0,0|2,0,1]=3 4 B18R2.311 CC(C)N=C1C=CC(=Nc2ccccc2)C=C1 Amb10570785 [0,0,0,0,0,0|0,0,2]=2 5 B18R2.311 CC(C)Nc1ccc(Nc2ccccc2)cc1 Amb1541331 [0,0,0,0,0,0|0,0,0]=0 6 B18R2.311 CC(C)Oc1ccc(Cc2ccccc2)cc1 Amb10808609 [0,0,0,0,0,0|2,0,0]=2 7 B18R2.311 CC(C)Oc1ccc(Nc2ccccc2)cc1 Amb4011882 [0,0,0,0,0,0|1,0,0]=1 8 B18R2.311 CC(C)Oc1ccc(Nc2ccccn2)cc1 Amb18267762 [0,0,0,0,0,0|2,0,0]=2 9 B18R2.311 CC(C)Oc1ccc(Nc2ccncc2)cc1 Amb18267737 [0,0,0,0,0,0|2,0,0]=2 10 B18R2.311 CC(N)Cc1ccc(Oc2ccccc2)cc1 Amb17142350 [0,0,0,0,0,0|3,0,0]=3 11 B18R2.311 CC(O)Cc1ccc(Oc2ccccc2)cc1 Amb30591573 [0,0,0,0,0,0|3,0,0]=3 12 B18R2.311 CN(C)Cc1ccc(Nc2ccccn2)cc1 Amb18269169 [0,0,0,0,0,0|3,0,0]=3 13 B18R2.311 CN(C)Cc1ccc(Nc2ccncc2)cc1 Amb18931972 [0,0,0,0,0,0|3,0,0]=3 14 B18R2.311 CN(O)Cc1ccc(Oc2ccccc2)cc1 Amb32951362 [0,0,0,0,0,0|4,0,0]=4 15 B18R2.311 C[C@@H](N)Cc1ccc(Oc2ccccc2)cc1 Amb32951500 [0,0,0,0,0,0|3,0,0]=3 16 B18R2.311 C[C@@H](O)Cc1ccc(Oc2ccccc2)cc1 Amb32951811 [0,0,0,0,0,0|3,0,0]=3 17 B18R2.311 C[C@H](N)Cc1ccc(Oc2ccccc2)cc1 Amb32951556 [0,0,0,0,0,0|3,0,0]=3 18 B18R2.311 C[C@H](O)Cc1ccc(Oc2ccccc2)cc1 Amb32951810 [0,0,0,0,0,0|3,0,0]=3 19 B18R2.311 FC(F)Oc1ccc(Oc2ccccc2)cc1 Amb17252687 [0,0,0,0,0,0|4,0,0]=4 20 B18R2.311 N=C(N)Nc1ccc(Oc2ccccc2)cc1 Amb10879741 [0,0,0,0,0,0|3,0,1]=4 21 B18R2.311 NC(=S)Nc1ccc(Oc2ccccc2)cc1 Amb2372755 [0,0,0,0,0,0|3,0,1]=4 22 B18R2.311 O=C(O)Cc1ccc(Nc2ccccc2)cc1 Amb18267851 [0,0,0,0,0,0|3,0,1]=4 23 B17R2.9 BrCCc1ccc(Oc2ccccc2)cc1 Amb18888028 [1,0,0,0,0,0|3,0,0]=4 24 B17R2.9 CCNc1ccc(Oc2ccccc2)cc1 Amb4313302 [1,0,0,0,0,0|1,0,0]=2 25 B17R2.9 CNCc1ccc(Cc2ccccc2)cc1 Amb18942267 [1,0,0,0,0,0|3,0,0]=4 26 B17R2.9 CNCc1ccc(Oc2ccccc2)cc1 Amb2724026 [1,0,0,0,0,0|3,0,0]=4 27 B17R2.9 CNCc1ccc(Oc2ccccc2)cc1 Amb34913740 [1,0,0,0,0,0|3,0,0]=4 28 B17R2.9 ClCCc1ccc(Oc2ccccc2)cc1 Amb18869759 [1,0,0,0,0,0|3,0,0]=4 29 B17R2.9 NCCc1ccc(Cc2ccccc2)cc1 Amb17101798 [1,0,0,0,0,0|3,0,0]=4 30 B17R2.9 NCCc1ccc(Nc2ccccn2)cc1 Amb18255194 [1,0,0,0,0,0|3,0,0]=4 31 B17R2.9 NCCc1ccc(Oc2ccccc2)cc1 Amb22899448 [1,0,0,0,0,0|3,0,0]=4 32 B17R2.9 NCCc1ccc(Oc2ccccc2)cc1 Amb2690247 [1,0,0,0,0,0|3,0,0]=4 33 B17R2.9 OCCc1ccc(Oc2ccccc2)cc1 Amb17595815 [1,0,0,0,0,0|3,0,0]=4 34 B17R2.9 S=C=Nc1ccc(Nc2ccccc2)cc1 Amb6315782 [1,0,0,0,0,0|1,0,2]=4 35 B17R2.9 SCCc1ccc(Oc2ccccc2)cc1 Amb17472208 [1,0,0,0,0,0|3,0,0]=4 36 B19R2.2635 CC(Br)C(=O)c1ccc(Oc2ccccc2)cc1 Amb8975797 [0,1,0,0,0,0|3,0,0]=4 37 B19R2.2635 CC(C)C(=O)c1ccc(Nc2ccccc2)cc1 Amb18577158 [0,1,0,0,0,0|1,0,0]=2 38 B19R2.2635 CC(N)C(=O)c1ccc(Oc2ccccc2)cc1 Amb18577576 [0,1,0,0,0,0|3,0,0]=4 39 B19R2.2735 CC(C#N)Nc1ccc(Oc2ccccc2)cc1 Amb17409857 [0,1,0,0,0,0|1,0,1]=3 40 B19R2.2735 CC(C#N)Oc1ccc(Oc2ccccc2)cc1 Amb5781002 [0,1,0,0,0,0|2,0,1]=4 41 B19R2.2735 CC(CO)Oc1ccc(Oc2ccccc2)cc1 Amb10610036 [0,1,0,0,0,0|2,0,0]=3 42 B19R2.2735 CCC(=O)Nc1ccc(Oc2ccccc2)cc1 Amb6540229 [0,1,0,0,0,0|2,0,1]=4 43 B19R2.2735 COC(=O)Cc1ccc(Nc2ccccc2)cc1 Amb18267608 [0,1,0,0,0,0|2,0,1]=4 44 B19R2.2735 NCC(=O)Nc1ccc(Oc2ccccc2)cc1 Amb19136064 [0,1,0,0,0,0|2,0,1]=4 45 B19R2.2735 NCC(=O)Nc1ccc(Oc2ccccc2)cc1 Amb6336809 [0,1,0,0,0,0|2,0,1]=4 46 B19R2.2735 O=C(CCl)Nc1ccc(Oc2ccccc2)cc1 Amb1201781 [0,1,0,0,0,0|2,0,1]=4 47 B19R2.2735 O=C(CCl)Nc1ccc(Sc2ccccc2)cc1 Amb5716060 [0,1,0,0,0,0|2,0,1]=4 48 B19R2.2735 O=C(CO)Nc1ccc(Oc2ccccc2)cc1 Amb33526657 [0,1,0,0,0,0|2,0,1]=4 49 B19R2.2735 O=C(CS)Nc1ccc(Oc2ccccc2)cc1 Amb838764 [0,1,0,0,0,0|2,0,1]=4 50 B19R2.4344 CC(=O)Nc1ccc(Nc2cc(N)ccn2)cc1 Amb17349081 [0,1,0,0,0,0|2,0,1]=4 51 B19R2.4344 CC(C)Oc1ccc(Nc2cc(N)ccn2)cc1 Amb17349503 [0,1,0,0,0,0|2,0,0]=3 52 B19R2.4344 CC(C)Oc1ccc(Nc2cccc(Cl)c2)cc1 Amb18930821 [0,1,0,0,0,0|1,0,0]=2 53 B19R2.4344 CC(C)Oc1ccc(Nc2cccc(F)c2)cc1 Amb18267755 [0,1,0,0,0,0|1,0,0]=2 54 B19R2.4344 CC(N)Cc1ccc(Oc2cccc(Cl)c2)cc1 Amb17163972 [0,1,0,0,0,0|3,0,0]=4 55 B19R2.4344 CC(N)Cc1ccc(Oc2cccc(F)c2)cc1 Amb17159778 [0,1,0,0,0,0|3,0,0]=4 56 B19R2.4344 CN(C)Cc1ccc(Nc2cccc(Cl)c2)cc1 Amb18931597 [0,1,0,0,0,0|2,0,0]=3 57 B19R2.4344 Cc1cccc(Oc2ccc(CC(C)N)cc2)c1 Amb17159175 [0,1,0,0,0,0|3,0,0]=4 58 B19R2.7504 CC(=O)Nc1ccc(Nc2ccccc2N)cc1 Amb18577652 [0,1,0,0,0,0|1,0,1]=3 59 B19R2.7504 CN(C)Cc1ccc(Nc2ccccc2F)cc1 Amb18931820 [0,1,0,0,0,0|2,0,0]=3 60 B19R2.12215 CC(=O)Nc1ccc(Nc2ccc(N)cc2)cc1 Amb9758412 [0,1,0,0,0,0|1,0,1]=3 61 B19R2.12215 CC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 Amb2235158 [0,1,0,0,0,0|2,0,1]=4 62 B19R2.12215 CC(C)Oc1ccc(Cc2ccc(N)cc2)cc1 Amb33625165 [0,1,0,0,0,0|2,0,0]=3 63 B19R2.12215 CC(C)Oc1ccc(Nc2ccc(F)cc2)cc1 Amb18930830 [0,1,0,0,0,0|1,0,0]=2 64 B19R2.12215 CC(N)Cc1ccc(Oc2ccc(Cl)cc2)cc1 Amb17163973 [0,1,0,0,0,0|3,0,0]=4 65 B19R2.12215 CC(N)Cc1ccc(Oc2ccc(F)cc2)cc1 Amb17159779 [0,1,0,0,0,0|3,0,0]=4 66 B19R2.12215 CN(C)Cc1ccc(Nc2ccc(Cl)cc2)cc1 Amb18268628 [0,1,0,0,0,0|2,0,0]=3 67 B19R2.12215 CN(C)Cc1ccc(Nc2ccc(F)cc2)cc1 Amb18931791 [0,1,0,0,0,0|2,0,0]=3 68 B19R2.12215 Cc1ccc(Oc2ccc(CC(C)N)cc2)cc1 Amb17159176 [0,1,0,0,0,0|3,0,0]=4 69 B19R2.13479 CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 Amb6346408 [0,1,0,0,0,0|2,0,1]=4 70 B19R2.13479 CC(C)Oc1ccc(C(=O)c2ccccc2)cc1 Amb8978781 [0,1,0,0,0,0|2,0,0]=3 71 B19R2.13479 CC(C)Oc1ccc(C(=O)c2ccccn2)cc1 Amb6301529 [0,1,0,0,0,0|3,0,0]=4 72 B19R2.13479 CC(C)Oc1ccc(C(N)c2ccccc2)cc1 Amb32412820 [0,1,0,0,0,0|2,0,0]=3 73 B19R2.13479 CC(C)Oc1ccc(C(N)c2cccnc2)cc1 Amb9207169 [0,1,0,0,0,0|3,0,0]=4 74 B19R2.13479 CN(C)Cc1ccc(C(N)c2ccccc2)cc1 Amb17320035 [0,1,0,0,0,0|3,0,0]=4 75 B19R2.49535 CC(C)(C)Oc1ccc(Nc2ccccc2)cc1 Amb18267581 [0,1,0,0,0,0|1,0,0]=2 76 B19R2.49535 CC(C)(C)Oc1ccc(Nc2cccnc2)cc1 Amb18930704 [0,1,0,0,0,0|2,0,0]=3 77 B19R2.49535 CC(C)(C)Oc1ccc(Nc2cncnc2)cc1 Amb18930701 [0,1,0,0,0,0|3,0,0]=4 78 B19R2.49535 CC(C)(N)Cc1ccc(Oc2ccccc2)cc1 Amb18577704 [0,1,0,0,0,0|2,0,0]=3 79 B19R2.49535 CC(C)(O)Cc1ccc(Oc2ccccc2)cc1 Amb32951547 [0,1,0,0,0,0|2,0,0]=3 80 B19R3.159 NC1CC1c2ccc(Oc3ccccc3)cc2 Amb18227594 [0,0,0,1,0,0|3,0,0]=4 81 B19R3.159 N[C@@H]1C[C@H]1c2ccc(Oc3ccccc3)cc2 Amb32951360 [0,0,0,1,0,0|3,0,0]=4 82 B19R3.256 CN1Cc2ccc(Nc3ccccn3)cc2C1 Amb18930995 [0,0,0,1,0,0|3,0,0]=4 83 B19R3.256 CN1Cc2ccc(Nc3ccncc3)cc2C1 Amb18268014 [0,0,0,1,0,0|3,0,0]=4 84 B19R3.256 O=C1Cc2cc(Oc3ccccc3)ccc2N1 Amb18896979 [0,0,0,1,0,0|2,0,1]=4 85 B19R3.2372 c1ccc(Oc2ccc(CC3CO3)cc2)cc1 Amb32951542 [0,0,0,1,0,0|3,0,0]=4 86 B19R3.202037 CC(N)Cc1ccc2oc3ccccc3c2c1 Amb7969268 [0,0,0,1,0,0|3,0,0]=4 87 B17R2.141 CC(=O)c1ccc(Cc2ccccc2)cc1 Amb2684271 [0,0,0,0,1,0|2,0,1]=4 88 B17R2.141 CC(=O)c1ccc(Nc2ccccc2)cc1 Amb8392745 [0,0,0,0,1,0|1,0,1]=3 89 B17R2.141 CC(=O)c1ccc(Nc2cccnc2)cc1 Amb18268527 [0,0,0,0,1,0|2,0,1]=4 90 B17R2.141 CC(=O)c1ccc(Oc2ccccc2)cc1 Amb1196783 [0,0,0,0,1,0|2,0,1]=4 91 B17R2.141 CC(=O)c1ccc(Sc2ccccc2)cc1 Amb2415056 [0,0,0,0,1,0|2,0,1]=4 92 B17R2.141 CC(C)c1ccc(Nc2ccccc2)cc1 Amb22171397 [0,0,0,0,1,0|0,0,0]=1 93 B17R2.141 CC(Cl)c1ccc(Oc2ccccc2)cc1 Amb32662569 [0,0,0,0,1,0|2,0,0]=3 94 B17R2.141 CC(N)c1ccc(Cc2ccccc2)cc1 Amb3789113 [0,0,0,0,1,0|2,0,0]=3 95 B17R2.141 CC(N)c1ccc(Oc2ccccc2)cc1 Amb9755685 [0,0,0,0,1,0|2,0,0]=3 96 B17R2.141 CC(N)c1ccc(Oc2cccnc2)cc1 Amb33528838 [0,0,0,0,1,0|3,0,0]=4 97 B17R2.141 CC(O)c1ccc(Cc2ccccc2)cc1 Amb17595749 [0,0,0,0,1,0|2,0,0]=3 98 B17R2.141 CC(O)c1ccc(Sc2ccccc2)cc1 Amb24080102 [0,0,0,0,1,0|2,0,0]=3 99 B17R2.141 CN(C)c1ccc(Nc2cccnc2)cc1 Amb18269145 [0,0,0,0,1,0|2,0,0]=3 100 B17R2.141 CN(C)c1ccc(Nc2ccncc2)cc1 Amb18269101 [0,0,0,0,1,0|2,0,0]=3 101 B17R2.141 C[C@@H](N)c1ccc(Oc2ccccc2)cc1 Amb33081795 [0,0,0,0,1,0|2,0,0]=3 102 B17R2.141 C[C@@H](O)c1ccc(Oc2ccccc2)cc1 Amb32954742 [0,0,0,0,1,0|2,0,0]=3 103 B17R2.141 C[C@@H](O)c1ccc(Sc2ccccc2)cc1 Amb32664439 [0,0,0,0,1,0|2,0,0]=3 104 B17R2.141 C[C@H](N)c1ccc(Oc2ccccc2)cc1 Amb32951538 [0,0,0,0,1,0|2,0,0]=3 105 B17R2.141 C[C@H](O)c1ccc(Sc2ccccc2)cc1 Amb32664357 [0,0,0,0,1,0|2,0,0]=3 106 B17R2.141 O=N(=O)c1ccc(Nc2ccccc2)cc1 Amb6356419 [0,0,0,0,1,0|3,0,0]=4 107 B17R2.141 O=[N+]([O-])c1ccc(Nc2ccccc2)cc1 Amb1869296 [0,0,0,0,1,0|3,0,0]=4 108 B17R2.246 CC(=O)Cc1ccc(-c2ccccc2)cc1 Amb1107872 [0,0,0,0,1,0|2,0,1]=4 109 B17R2.246 CC(=O)Nc1ccc(-c2ccccc2)cc1 Amb1209779 [0,0,0,0,1,0|1,0,1]=3 110 B17R2.246 CC(Br)Cc1ccc(-c2ccccc2)cc1 Amb18548893 [0,0,0,0,1,0|2,0,0]=3 111 B17R2.246 CC(C)Nc1ccc(-c2cccnc2)cc1 Amb32697533 [0,0,0,0,1,0|1,0,0]=2 112 B17R2.246 CC(C)Nc1ccc(-c2cccnn2)cc1 Amb32697552 [0,0,0,0,1,0|2,0,0]=3 113 B17R2.246 CC(C)Nc1ccc(-c2ccncc2)cc1 Amb32697531 [0,0,0,0,1,0|1,0,0]=2 114 B17R2.246 CC(C)Nc1ccc(-c2cnccn2)cc1 Amb32697557 [0,0,0,0,1,0|2,0,0]=3 115 B17R2.246 CC(C)Nc1ccc(-c2cncnc2)cc1 Amb32697532 [0,0,0,0,1,0|2,0,0]=3 116 B17R2.246 CC(C)Nc1ccc(-c2ncccn2)cc1 Amb32697556 [0,0,0,0,1,0|2,0,0]=3 117 B17R2.246 CC(Cl)Cc1ccc(-c2ccccc2)cc1 Amb18049951 [0,0,0,0,1,0|2,0,0]=3 118 B17R2.246 CC(N)Cc1ccc(-c2ccccc2)cc1 Amb33548469 [0,0,0,0,1,0|2,0,0]=3 119 B17R2.246 CC(N)Cc1ccc(-c2ccccc2)cc1 Amb6661986 [0,0,0,0,1,0|2,0,0]=3 120 B17R2.246 CC(N)Cc1ccc(-c2ccncc2)cc1 Amb18935241 [0,0,0,0,1,0|3,0,0]=4 121 B17R2.246 CC(O)Cc1ccc(-c2ccccc2)cc1 Amb30591572 [0,0,0,0,1,0|2,0,0]=3 122 B17R2.246 CN(O)Cc1ccc(-c2ccccc2)cc1 Amb33081650 [0,0,0,0,1,0|3,0,0]=4 123 B17R2.246 C[C@@H](N)Cc1ccc(-c2ccccc2)cc1 Amb33081924 [0,0,0,0,1,0|2,0,0]=3 124 B17R2.246 C[C@@H](O)Cc1ccc(-c2ccccc2)cc1 Amb33081358 [0,0,0,0,1,0|2,0,0]=3 125 B17R2.246 C[C@H](N)Cc1ccc(-c2ccccc2)cc1 Amb33081498 [0,0,0,0,1,0|2,0,0]=3 126 B17R2.246 C[C@H](O)Cc1ccc(-c2ccccc2)cc1 Amb33081356 [0,0,0,0,1,0|2,0,0]=3 127 B17R2.246 FC(F)Oc1ccc(-c2ccccc2)cc1 Amb17244115 [0,0,0,0,1,0|3,0,0]=4 128 B17R2.246 NC(=O)Nc1ccc(-c2ccccc2)cc1 Amb6889226 [0,0,0,0,1,0|2,0,1]=4 129 B17R2.246 NC(=S)Nc1ccc(-c2ccccc2)cc1 Amb6875303 [0,0,0,0,1,0|2,0,1]=4 130 B19R2.4606 CC(C)CNc1ccc(Oc2ccccc2)cc1 Amb4303719 [0,0,0,0,0,1|1,0,0]=2 131 B19R2.4606 CC(N)\C=C\c1ccc(Oc2ccccc2)cc1 Amb32951371 [0,0,0,0,0,1|3,0,0]=4 132 B19R2.13470 CC(=N)Nc1ccc(OCc2ccccc2)cc1 Amb27958074 [0,0,0,0,0,1|2,0,1]=4 133 B19R2.13470 CC(=O)Nc1ccc(CNc2cccnc2)cc1 Amb6686504 [0,0,0,0,0,1|2,0,1]=4 134 B19R2.13470 CC(=O)Nc1ccc(OCc2ccccc2)cc1 Amb6315561 [0,0,0,0,0,1|2,0,1]=4 135 B19R2.13470 CC(=O)Nc1ccc(SCc2ccccc2)cc1 Amb1190512 [0,0,0,0,0,1|2,0,1]=4 136 B19R2.13470 CC(=O)Oc1ccc(NCc2ccccc2)cc1 Amb18929220 [0,0,0,0,0,1|2,0,1]=4 137 B19R2.13470 CC(C)Oc1ccc(NCc2ccccn2)cc1 Amb9207640 [0,0,0,0,0,1|2,0,0]=3 138 B19R2.13470 FC(F)Sc1ccc(NCc2ccccc2)cc1 Amb9227522 [0,0,0,0,0,1|3,0,0]=4 139 B16R2.2 BrCc1ccc(Cc2ccccc2)cc1 Amb27495087 [2,0,0,0,0,0|2,0,0]=4 140 B16R2.2 BrCc1ccc(Oc2ccccc2)cc1 Amb2695509 [2,0,0,0,0,0|2,0,0]=4 141 B16R2.2 CCc1ccc(Cc2ccccc2)cc1 Amb24064562 [2,0,0,0,0,0|1,0,0]=3 142 B16R2.2 CNc1ccc(Oc2ccccc2)cc1 Amb33527995 [2,0,0,0,0,0|1,0,0]=3 143 B16R2.2 CNc1ccc(Oc2ccccn2)cc1 Amb18982311 [2,0,0,0,0,0|2,0,0]=4 144 B16R2.2 COc1ccc(Nc2ccccc2)cc1 Amb1208565 [2,0,0,0,0,0|1,0,0]=3 145 B16R2.2 COc1ccc(Nc2cccnc2)cc1 Amb18932004 [2,0,0,0,0,0|2,0,0]=4 146 B16R2.2 COc1ccc(Nc2ccncc2)cc1 Amb8278749 [2,0,0,0,0,0|2,0,0]=4 147 B16R2.2 CSc1ccc(Sc2ccccc2)cc1 Amb33038362 [2,0,0,0,0,0|2,0,0]=4 148 B16R2.2 ClCc1ccc(Cc2ccccc2)cc1 Amb19958841 [2,0,0,0,0,0|2,0,0]=4 149 B16R2.2 ClCc1ccc(Nc2ccccn2)cc1 Amb27396256 [2,0,0,0,0,0|2,0,0]=4 150 B16R2.2 ClCc1ccc(Oc2ccccc2)cc1 Amb7764652 [2,0,0,0,0,0|2,0,0]=4 151 B16R2.2 ClCc1ccc(Sc2ccccc2)cc1 Amb16234162 [2,0,0,0,0,0|2,0,0]=4 152 B16R2.2 N#Cc1ccc(Nc2ccccc2)cc1 Amb6679337 [2,0,0,0,0,0|1,0,1]=4 153 B16R2.2 N=[NH+]c1ccc(Nc2ccccc2)cc1 Amb16227051 [2,0,0,0,0,0|1,0,1]=4 154 B16R2.2 NCc1ccc(Cc2ccccc2)cc1 Amb17101774 [2,0,0,0,0,0|2,0,0]=4 155 B16R2.2 NCc1ccc(Cc2ccccc2)cc1 Amb33743328 [2,0,0,0,0,0|2,0,0]=4 156 B16R2.2 NCc1ccc(Nc2ccccc2)nc1 Amb18566173 [2,0,0,0,0,0|2,0,0]=4 157 B16R2.2 NCc1ccc(Nc2ccccn2)cc1 Amb33548357 [2,0,0,0,0,0|2,0,0]=4 158 B16R2.2 NCc1ccc(Nc2ccncc2)cc1 Amb18911363 [2,0,0,0,0,0|2,0,0]=4 159 B16R2.2 NCc1ccc(Oc2ccccc2)cc1 Amb2690243 [2,0,0,0,0,0|2,0,0]=4 160 B16R2.2 NCc1ccc(Oc2ccccc2)cc1 Amb2724027 [2,0,0,0,0,0|2,0,0]=4 161 B16R2.2 NCc1ccc(Sc2ccccc2)cc1 Amb9390167 [2,0,0,0,0,0|2,0,0]=4 162 B16R2.2 NNc1ccc(Oc2ccccc2)cc1 Amb17935625 [2,0,0,0,0,0|2,0,0]=4 163 B16R2.2 NNc1ccc(Oc2ccccc2)cc1 Amb2691309 [2,0,0,0,0,0|2,0,0]=4 164 B16R2.2 O=Cc1ccc(Nc2ccccc2)cc1 Amb4504278 [2,0,0,0,0,0|1,0,1]=4 165 B16R2.2 OCc1ccc(Cc2ccccc2)cc1 Amb22295899 [2,0,0,0,0,0|2,0,0]=4 166 B16R2.2 OCc1ccc(Oc2ccccc2)cc1 Amb2610429 [2,0,0,0,0,0|2,0,0]=4 167 B16R2.2 OCc1ccc(Sc2ccccc2)cc1 Amb837448 [2,0,0,0,0,0|2,0,0]=4 168 B16R2.2 SCc1ccc(Oc2ccccc2)cc1 Amb31099510 [2,0,0,0,0,0|2,0,0]=4 169 B18R2.4 CCOc1ccc(Nc2ccc(N)cn2)cc1 Amb9211922 [1,1,0,0,0,0|2,0,0]=4 170 B18R2.4 CCOc1ccc(Nc2ccc(N)nc2)cc1 Amb7802421 [1,1,0,0,0,0|2,0,0]=4 171 B18R2.4 CCOc1ccc(Oc2ccc(N)cc2)cc1 Amb2605331 [1,1,0,0,0,0|2,0,0]=4 172 B18R2.4 CCOc1ccc(Oc2ccc(N)cc2)cc1 Amb266528 [1,1,0,0,0,0|2,0,0]=4 173 B18R2.4 CCOc1ccc(Oc2ccc(O)cc2)cc1 Amb7094531 [1,1,0,0,0,0|2,0,0]=4 174 B18R2.28 BrCCOc1ccc(Oc2ccccc2)cc1 Amb4451461 [1,1,0,0,0,0|2,0,0]=4 175 B18R2.28 C=CCNc1ccc(Oc2ccccc2)cc1 Amb17306637 [1,1,0,0,0,0|1,0,1]=4 176 B18R2.28 CCCNc1ccc(Oc2ccccc2)cc1 Amb4313511 [1,1,0,0,0,0|1,0,0]=3 177 B18R2.28 CCNCc1ccc(Cc2ccccc2)cc1 Amb18942266 [1,1,0,0,0,0|1,0,0]=3 178 B18R2.28 CCNCc1ccc(Oc2ccccc2)cc1 Amb8903617 [1,1,0,0,0,0|1,0,0]=3 179 B18R2.28 CNCCc1ccc(Cc2ccccc2)cc1 Amb18942278 [1,1,0,0,0,0|2,0,0]=4 180 B18R2.28 CNCCc1ccc(Oc2ccccc2)cc1 Amb16230490 [1,1,0,0,0,0|2,0,0]=4 181 B18R2.28 CNNCc1ccc(Oc2ccccc2)cc1 Amb30588527 [1,1,0,0,0,0|2,0,0]=4 182 B18R2.28 N#CCNc1ccc(Oc2ccccc2)cc1 Amb6708986 [1,1,0,0,0,0|1,0,1]=4 183 B18R2.28 NCCCc1ccc(Oc2ccccc2)cc1 Amb18555254 [1,1,0,0,0,0|2,0,0]=4 184 B18R2.28 NCCNc1ccc(Oc2ccccc2)cc1 Amb17091072 [1,1,0,0,0,0|1,0,0]=3 185 B18R2.28 NCCOc1ccc(Cc2ccccc2)cc1 Amb32855948 [1,1,0,0,0,0|2,0,0]=4 186 B18R2.28 NCCOc1ccc(Cc2ccccc2)cc1 Amb33098641 [1,1,0,0,0,0|2,0,0]=4 187 B18R2.28 NCCOc1ccc(Oc2ccccc2)cc1 Amb1134497 [1,1,0,0,0,0|2,0,0]=4 188 B18R2.28 OCCCc1ccc(Oc2ccccc2)cc1 Amb18227728 [1,1,0,0,0,0|2,0,0]=4 189 B18R2.28 OCCNc1ccc(Oc2ccccc2)cc1 Amb6708992 [1,1,0,0,0,0|1,0,0]=3 190 B18R2.287 CCC(=O)c1ccc(Nc2ccccc2)cc1 Amb18571270 [1,1,0,0,0,0|1,0,0]=3 191 B18R2.287 CCC(=O)c1ccc(Oc2ccccc2)cc1 Amb6662852 [1,1,0,0,0,0|2,0,0]=4 192 B18R2.2461 CCOc1ccc(Cc2ccccc2Cl)cc1 Amb33719564 [1,1,0,0,0,0|2,0,0]=4 193 B18R2.2461 CCOc1ccc(Nc2ccncc2N)cc1 Amb7802420 [1,1,0,0,0,0|2,0,0]=4 194 B18R2.2461 CCOc1ccc(Nc2ncccc2N)cc1 Amb7802426 [1,1,0,0,0,0|2,0,0]=4 195 B18R2.2461 CCOc1ccc(Oc2ccccc2N)cc1 Amb1208485 [1,1,0,0,0,0|2,0,0]=4 196 B18R2.2461 CCOc1ccc(Oc2ccccc2N)cc1 Amb22049633 [1,1,0,0,0,0|2,0,0]=4 197 B18R2.3815 CCCc1ccc(C(O)c2ccccc2)cc1 Amb10808667 [1,1,0,0,0,0|2,0,0]=4 198 B18R2.3815 CCNc1ccc(N(C)c2ccccc2)nc1 Amb17318018 [1,1,0,0,0,0|1,0,0]=3 199 B18R2.3815 CCOc1ccc(C(=O)c2ccccc2)cc1 Amb4421858 [1,1,0,0,0,0|2,0,0]=4 200 B18R2.3815 CCOc1ccc(C(N)c2ccccc2)cc1 Amb6255293 [1,1,0,0,0,0|2,0,0]=4 201 B18R2.3815 CCOc1ccc(C(N)c2ccccc2)cc1 Amb7969644 [1,1,0,0,0,0|2,0,0]=4 202 B18R2.3815 CCOc1ccc(C(O)c2ccccc2)cc1 Amb17248159 [1,1,0,0,0,0|2,0,0]=4 203 B18R2.3815 CCOc1ccc(N(C)c2ccccc2)cc1 Amb24091511 [1,1,0,0,0,0|1,0,0]=3 204 B18R2.3815 CCSc1ccc(C(O)c2ccccc2)cc1 Amb2687947 [1,1,0,0,0,0|2,0,0]=4 205 B18R2.3815 CN(c1ccccc1)c2ccc(CCN)cc2 Amb18571482 [1,1,0,0,0,0|2,0,0]=4 206 B18R2.3815 CN(c1ccccc1)c2ccc(CCO)cc2 Amb18070351 [1,1,0,0,0,0|2,0,0]=4 207 B18R2.3825 CCOc1ccc(Oc2ccccc2)cc1N Amb18555850 [1,1,0,0,0,0|2,0,0]=4 208 B18R2.3839 CCOc1ccc(Nc2cc(N)ccn2)cc1 Amb17344328 [1,1,0,0,0,0|2,0,0]=4 209 B18R2.7634 NCCc1ccc(Nc2ccccc2)c(F)c1 Amb18572589 [1,1,0,0,0,0|2,0,0]=4 210 B18R2.2633 CC(C)(C)c1ccc(Nc2ccccc2)cc1 Amb8392082 [0,1,0,0,1,0|0,0,0]=2 211 B18R2.2633 CC(C)(C)c1ccc(Oc2ccccc2)cc1 Amb4011985 [0,1,0,0,1,0|1,0,0]=3 212 B18R2.2633 CC(C)(N)c1ccc(Oc2ccccc2)cc1 Amb18571592 [0,1,0,0,1,0|1,0,0]=3 213 B18R2.2633 CC(C)(O)c1ccc(Oc2ccccc2)cc1 Amb30589235 [0,1,0,0,1,0|1,0,0]=3 214 B18R2.2633 C[Si](C)(C)c1ccc(Oc2ccccc2)cc1 Amb19886429 [0,1,0,0,1,0|1,1,0]=4 215 B18R2.3631 CN(C)c1ccc(Cc2ccccc2)cc1N Amb17142203 [0,1,0,0,1,0|2,0,0]=4 216 B18R2.3632 CC(=O)c1ccc(Nc2ccccc2)c(F)c1 Amb18572044 [0,1,0,0,1,0|1,0,1]=4 217 B18R2.3632 CC(=O)c1ccc(Nc2ccccc2)c(N)c1 Amb18867673 [0,1,0,0,1,0|1,0,1]=4 218 B18R2.3632 CC(N)c1ccc(Oc2ccccc2)c(Cl)c1 Amb21984371 [0,1,0,0,1,0|2,0,0]=4 219 B18R2.3632 CC(N)c1ccc(Oc2ccccc2)c(F)c1 Amb6682559 [0,1,0,0,1,0|2,0,0]=4 220 B18R2.3632 CC(N)c1ccc(Sc2ccccc2)c(Cl)c1 Amb21984370 [0,1,0,0,1,0|2,0,0]=4 221 B18R2.3632 CC(O)c1ccc(Oc2ccccc2)c(Cl)c1 Amb21984361 [0,1,0,0,1,0|2,0,0]=4 222 B18R2.3632 CC(O)c1ccc(Oc2ccccc2)c(F)c1 Amb9366932 [0,1,0,0,1,0|2,0,0]=4 223 B18R2.3632 CC(O)c1ccc(Oc2ccccc2)c(N)c1 Amb29845095 [0,1,0,0,1,0|2,0,0]=4 224 B18R2.3632 CC(O)c1ccc(Sc2ccccc2)c(Cl)c1 Amb21984360 [0,1,0,0,1,0|2,0,0]=4 225 B18R2.3632 CC(O)c1ccc(Sc2ccccc2)c(N)c1 Amb29845096 [0,1,0,0,1,0|2,0,0]=4 226 B18R2.3887 CC(C)c1ccc(Cc2cccc(N)c2)cc1 Amb17142106 [0,1,0,0,1,0|1,0,0]=3 227 B18R2.3887 CC(C)c1ccc(Nc2cc(N)ccn2)cc1 Amb17343866 [0,1,0,0,1,0|1,0,0]=3 228 B18R2.3887 CC(C)c1ccc(Nc2nccc(N)n2)cc1 Amb31137246 [0,1,0,0,1,0|2,0,0]=4 229 B18R2.3887 CC(N)c1ccc(Cc2cccc(Cl)c2)cc1 Amb17101851 [0,1,0,0,1,0|2,0,0]=4 230 B18R2.3887 CC(N)c1ccc(Cc2cccc(F)c2)cc1 Amb17101848 [0,1,0,0,1,0|2,0,0]=4 231 B18R2.3887 CN(C)c1ccc(Nc2cccc(Cl)c2)cc1 Amb18268670 [0,1,0,0,1,0|1,0,0]=3 232 B18R2.3887 CN(C)c1ccc(Nc2cccc(F)c2)cc1 Amb18931772 [0,1,0,0,1,0|1,0,0]=3 233 B18R2.3887 CN(C)c1ccc(Nc2cccc(O)c2)cc1 Amb18268980 [0,1,0,0,1,0|1,0,0]=3 234 B18R2.3887 Cc1cccc(Cc2ccc(C(C)N)cc2)c1 Amb17101845 [0,1,0,0,1,0|2,0,0]=4 235 B18R2.6290 CC(=O)c1ccc(Nc2ccccc2Cl)cc1 Amb18931389 [0,1,0,0,1,0|1,0,1]=4 236 B18R2.6290 CC(=O)c1ccc(Nc2ccccc2F)cc1 Amb18931395 [0,1,0,0,1,0|1,0,1]=4 237 B18R2.6290 CC(=O)c1ccc(Nc2ccccc2N)cc1 Amb18571458 [0,1,0,0,1,0|1,0,1]=4 238 B18R2.6290 CC(C)c1ccc(Cc2ccccc2N)cc1 Amb17142110 [0,1,0,0,1,0|1,0,0]=3 239 B18R2.6290 CC(C)c1ccc(Nc2ccncc2N)cc1 Amb7802803 [0,1,0,0,1,0|1,0,0]=3 240 B18R2.6290 CC(C)c1ccc(Nc2ncccc2N)cc1 Amb7802809 [0,1,0,0,1,0|1,0,0]=3 241 B18R2.6290 CC(C)c1ccc(Oc2ccccc2N)cc1 Amb6619811 [0,1,0,0,1,0|1,0,0]=3 242 B18R2.6290 CC(C)c1ccc(Oc2ccccc2N)cc1 Amb6760530 [0,1,0,0,1,0|1,0,0]=3 243 B18R2.6290 CC(C)c1ccc(Oc2ncccc2N)cc1 Amb6718338 [0,1,0,0,1,0|2,0,0]=4 244 B18R2.6290 CC(C)c1ccc([SH2]c2ccccc2N)cc1 Amb18541314 [0,1,0,0,1,0|1,0,0]=3 245 B18R2.6290 CC(N)c1ccc(Cc2ccccc2Cl)cc1 Amb17101850 [0,1,0,0,1,0|2,0,0]=4 246 B18R2.6290 CC(N)c1ccc(Cc2ccccc2F)cc1 Amb17101847 [0,1,0,0,1,0|2,0,0]=4 247 B18R2.6290 CC(O)c1ccc(Oc2ccccc2F)cc1 Amb9366880 [0,1,0,0,1,0|2,0,0]=4 248 B18R2.6290 CN(C)c1ccc(Nc2ccccc2N)cc1 Amb9481170 [0,1,0,0,1,0|1,0,0]=3 249 B18R2.6290 CN(C)c1ccc(Nc2ncccc2N)cc1 Amb28991385 [0,1,0,0,1,0|2,0,0]=4 250 B18R2.6290 CN(C)c1ccc(Nc2ncccc2N)cc1 Amb9481169 [0,1,0,0,1,0|2,0,0]=4 251 B18R2.6290 CN(C)c1ccc(Oc2ccccc2N)cc1 Amb18061996 [0,1,0,0,1,0|2,0,0]=4 252 B18R2.6290 Cc1ccccc1Cc2ccc(C(C)N)cc2 Amb17101844 [0,1,0,0,1,0|2,0,0]=4 253 B18R2.7085 CC(=O)c1ccc(N(C)c2ccccc2)cc1 Amb6681350 [0,1,0,0,1,0|1,0,1]=4 254 B18R2.7085 CC(C)c1ccc(C(=O)c2ccccc2)cc1 Amb4036155 [0,1,0,0,1,0|1,0,0]=3 255 B18R2.7085 CC(C)c1ccc(C(=O)c2ccccn2)cc1 Amb6301528 [0,1,0,0,1,0|2,0,0]=4 256 B18R2.7085 CC(C)c1ccc(C(=O)c2cccnc2)cc1 Amb8472622 [0,1,0,0,1,0|2,0,0]=4 257 B18R2.7085 CC(C)c1ccc(C(=O)c2ccncc2)cc1 Amb8472625 [0,1,0,0,1,0|2,0,0]=4 258 B18R2.7085 CC(C)c1ccc(C(N)c2ccccc2)cc1 Amb6663476 [0,1,0,0,1,0|1,0,0]=3 259 B18R2.7085 CC(C)c1ccc(C(N)c2cccnc2)cc1 Amb5751842 [0,1,0,0,1,0|2,0,0]=4 260 B18R2.7085 CC(C)c1ccc(C(O)c2ccccc2)cc1 Amb17247419 [0,1,0,0,1,0|1,0,0]=3 261 B18R2.7085 CC(C)c1ccc(C(O)c2cccnc2)cc1 Amb17247778 [0,1,0,0,1,0|2,0,0]=4 262 B18R2.7085 CC(N)c1ccc(C(=O)c2ccccc2)cc1 Amb17101619 [0,1,0,0,1,0|2,0,0]=4 263 B18R2.7085 CN(C)c1ccc(C(=O)c2ccccc2)cc1 Amb1208391 [0,1,0,0,1,0|2,0,0]=4 264 B18R2.7085 CN(C)c1ccc(C(O)c2ccccc2)cc1 Amb1110874 [0,1,0,0,1,0|2,0,0]=4 265 B18R2.7085 C[C@@H](N)c1ccc(C(=O)c2ccccc2)cc1 Amb24088235 [0,1,0,0,1,0|2,0,0]=4 266 B18R2.7085 C[C@H](N)c1ccc(C(=O)c2ccccc2)cc1 Amb24088236 [0,1,0,0,1,0|2,0,0]=4 267 B18R2.9194 CC(=O)c1ccc(Nc2ccc(Cl)cc2)cc1 Amb18268515 [0,1,0,0,1,0|1,0,1]=4 268 B18R2.9194 CC(=O)c1ccc(Nc2ccc(N)cc2)cc1 Amb9758407 [0,1,0,0,1,0|1,0,1]=4 269 B18R2.9194 CC(C)c1ccc(Cc2ccc(N)cc2)cc1 Amb17142105 [0,1,0,0,1,0|1,0,0]=3 270 B18R2.9194 CC(C)c1ccc(Nc2ccc(N)cn2)cc1 Amb7802813 [0,1,0,0,1,0|1,0,0]=3 271 B18R2.9194 CC(C)c1ccc(Nc2ccc(N)nc2)cc1 Amb7802804 [0,1,0,0,1,0|1,0,0]=3 272 B18R2.9194 CC(C)c1ccc(Oc2ccc(N)cc2)cc1 Amb3963548 [0,1,0,0,1,0|1,0,0]=3 273 B18R2.9194 CC(C)c1ccc(Oc2ccc(N)cc2)cc1 Amb6760516 [0,1,0,0,1,0|1,0,0]=3 274 B18R2.9194 CC(C)c1ccc(Oc2ccc(N)cn2)cc1 Amb1127804 [0,1,0,0,1,0|2,0,0]=4 275 B18R2.9194 CC(C)c1ccc(Oc2ccc(N)nc2)cc1 Amb6679826 [0,1,0,0,1,0|2,0,0]=4 276 B18R2.9194 CC(C)c1ccc(Oc2ccc(O)cc2)cc1 Amb7094681 [0,1,0,0,1,0|1,0,0]=3 277 B18R2.9194 CC(C)c1ccc(Sc2ccc(N)cc2)cc1 Amb17350400 [0,1,0,0,1,0|1,0,0]=3 278 B18R2.9194 CC(C)c1ccc([SH2]c2ccc(N)cc2)cc1 Amb18541313 [0,1,0,0,1,0|1,0,0]=3 279 B18R2.9194 CC(N)c1ccc(Cc2ccc(Cl)cc2)cc1 Amb17101852 [0,1,0,0,1,0|2,0,0]=4 280 B18R2.9194 CC(N)c1ccc(Cc2ccc(F)cc2)cc1 Amb17101849 [0,1,0,0,1,0|2,0,0]=4 281 B18R2.9194 CC(N)c1ccc(Oc2ccc(F)cc2)cc1 Amb32933349 [0,1,0,0,1,0|2,0,0]=4 282 B18R2.9194 CC(N)c1ccc(Oc2ccc(F)cc2)cc1 Amb6682556 [0,1,0,0,1,0|2,0,0]=4 283 B18R2.9194 CC(O)c1ccc(Oc2ccc(Br)cc2)cc1 Amb9366885 [0,1,0,0,1,0|2,0,0]=4 284 B18R2.9194 CN(C)c1ccc(N=C2C=CC(=O)C=C2)cc1 Amb6356474 [0,1,0,0,1,0|1,0,1]=4 285 B18R2.9194 CN(C)c1ccc(Nc2ccc(Cl)cc2)cc1 Amb18268637 [0,1,0,0,1,0|1,0,0]=3 286 B18R2.9194 CN(C)c1ccc(Nc2ccc(N)cn2)cc1 Amb9481167 [0,1,0,0,1,0|2,0,0]=4 287 B18R2.9194 CN(C)c1ccc(Nc2ccc(N)nc2)cc1 Amb9481180 [0,1,0,0,1,0|2,0,0]=4 288 B18R2.9194 CN(C)c1ccc(Nc2ccc(O)cc2)cc1 Amb18268947 [0,1,0,0,1,0|1,0,0]=3 289 B18R2.9194 CN(C)c1ccc(Oc2ccc(N)cc2)cc1 Amb18061990 [0,1,0,0,1,0|2,0,0]=4 290 B18R2.9194 Cc1ccc(Cc2ccc(C(C)N)cc2)cc1 Amb17101846 [0,1,0,0,1,0|2,0,0]=4 291 B18R2.9194 Cc1ccc(Nc2ccc(C(C)C)cc2)cc1 Amb19958307 [0,1,0,0,1,0|0,0,0]=2 292 B18R2.271 CC(=O)Nc1ccc(-c2ccc(C)cc2)cc1 Amb32427828 [0,1,0,0,1,0|1,0,1]=4 293 B18R2.271 CC(=O)Nc1ccc(-c2ccc(F)cc2)cc1 Amb3998157 [0,1,0,0,1,0|1,0,1]=4 294 B18R2.271 CC(=O)Nc1ccc(-c2ccc(N)cc2)cc1 Amb2974838 [0,1,0,0,1,0|1,0,1]=4 295 B18R2.271 CC(=O)Nc1ccc(-c2ccc(O)cc2)cc1 Amb17596247 [0,1,0,0,1,0|1,0,1]=4 296 B18R2.271 CC(C)Cc1ccc(-c2ccc(Br)cc2)cc1 Amb31115676 [0,1,0,0,1,0|1,0,0]=3 297 B18R2.271 CC(C)Nc1ccc(-c2ccc(N)cc2)cn1 Amb17343869 [0,1,0,0,1,0|1,0,0]=3 298 B18R2.271 CC(C)Oc1ccc(-c2ccc(Br)cc2)cc1 Amb22491145 [0,1,0,0,1,0|1,0,0]=3 299 B18R2.271 CC(C)Oc1ccc(-c2ccc(Cl)nc2)cc1 Amb17259645 [0,1,0,0,1,0|2,0,0]=4 300 B18R2.271 CC(C)Oc1ccc(-c2ccc(N)cc2)cc1 Amb17142310 [0,1,0,0,1,0|1,0,0]=3 301 B18R2.271 CC(C)Oc1ccc(-c2ccc(N)cn2)cc1 Amb17248219 [0,1,0,0,1,0|2,0,0]=4 302 B18R2.271 CC(C)Oc1ccc(-c2ccc(N)nc2)cc1 Amb17248217 [0,1,0,0,1,0|2,0,0]=4 303 B18R2.271 CC(C)Oc1ccc(-c2ccc(O)cc2)cc1 Amb17142415 [0,1,0,0,1,0|1,0,0]=3 304 B18R2.271 CC(C)Sc1ccc(-c2ccc(Br)cc2)cc1 Amb31161154 [0,1,0,0,1,0|1,0,0]=3 305 B18R2.271 CC(C)Sc1ccc(-c2ccc(N)cc2)cc1 Amb31185514 [0,1,0,0,1,0|1,0,0]=3 306 B18R2.271 CC(N)Cc1ccc(-c2ccc(Cl)cc2)cc1 Amb18935064 [0,1,0,0,1,0|2,0,0]=4 307 B18R2.271 CN(C)Cc1ccc(-c2ccc(O)cc2)cc1 Amb17136188 [0,1,0,0,1,0|2,0,0]=4 308 B18R2.271 C[C@H](O)Cc1ccc(-c2ccc(Br)cc2)cc1 Amb33620395 [0,1,0,0,1,0|2,0,0]=4 309 B18R2.271 Cc1ccc(-c2ccc(CC(C)N)cc2)cc1 Amb18271372 [0,1,0,0,1,0|2,0,0]=4 310 B18R2.2534 CC(C)C(=O)c1ccc(-c2ccccc2)cc1 Amb8841785 [0,1,0,0,1,0|1,0,0]=3 311 B18R2.2534 CC(N)C(=O)c1ccc(-c2ccccc2)cc1 Amb18070091 [0,1,0,0,1,0|2,0,0]=4 312 B18R2.2534 CC(O)C(=O)c1ccc(-c2ccccc2)cc1 Amb31136481 [0,1,0,0,1,0|2,0,0]=4 313 B18R2.2609 CC(CCl)Oc1ccc(-c2ccccc2)cc1 Amb17258911 [0,1,0,0,1,0|1,0,0]=3 314 B18R2.2609 CC(CO)Oc1ccc(-c2ccccc2)cc1 Amb17248168 [0,1,0,0,1,0|1,0,0]=3 315 B18R2.2609 CNC(C)Cc1ccc(-c2ccccc2)cc1 Amb18270820 [0,1,0,0,1,0|1,0,0]=3 316 B18R2.2609 CNC(C)Cc1ccc(-c2ccncc2)cc1 Amb18270798 [0,1,0,0,1,0|2,0,0]=4 317 B18R2.2609 NC(CO)Cc1ccc(-c2ccccc2)cc1 Amb33082667 [0,1,0,0,1,0|2,0,0]=4 318 B18R2.2609 NCC(O)Cc1ccc(-c2ccccc2)cc1 Amb33080817 [0,1,0,0,1,0|2,0,0]=4 319 B18R2.2609 N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1 Amb32405719 [0,1,0,0,1,0|2,0,0]=4 320 B18R2.2609 O=C(CCl)Nc1ccc(-c2ccccc2)cc1 Amb1208874 [0,1,0,0,1,0|1,0,1]=4 321 B18R2.2609 O=C(CO)Nc1ccc(-c2ccccc2)cc1 Amb5798064 [0,1,0,0,1,0|1,0,1]=4 322 B18R2.2609 O[C@@H](CCl)Cc1ccc(-c2ccccc2)cc1 Amb32405720 [0,1,0,0,1,0|2,0,0]=4 323 B18R2.3629 CC(=O)Nc1ccc(-c2ccccc2)cc1C Amb24055811 [0,1,0,0,1,0|1,0,1]=4 324 B18R2.3884 CC(C)Cc1ccc(-c2cc(N)ccn2)cc1 Amb31136634 [0,1,0,0,1,0|2,0,0]=4 325 B18R2.3884 CC(C)Cc1ccc(-c2cccc(Br)c2)cc1 Amb31134144 [0,1,0,0,1,0|1,0,0]=3 326 B18R2.3884 CC(C)Nc1ccc(-c2cccc(N)c2)cn1 Amb17343871 [0,1,0,0,1,0|1,0,0]=3 327 B18R2.3884 CC(C)Oc1ccc(-c2cc(N)ccn2)cc1 Amb31137206 [0,1,0,0,1,0|2,0,0]=4 328 B18R2.3884 CC(C)Oc1ccc(-c2cccc(Br)c2)cc1 Amb31134207 [0,1,0,0,1,0|1,0,0]=3 329 B18R2.3884 CC(C)Oc1ccc(-c2cccc(N)c2)cc1 Amb17142311 [0,1,0,0,1,0|1,0,0]=3 330 B18R2.3884 CC(C)Oc1ccc(-c2cccc(O)c2)cc1 Amb17142416 [0,1,0,0,1,0|1,0,0]=3 331 B18R2.3884 CC(C)Oc1ccc(-c2cncc(N)c2)cc1 Amb17248218 [0,1,0,0,1,0|2,0,0]=4 332 B18R2.3884 CC(C)Sc1ccc(-c2cc(N)ccn2)cc1 Amb31139623 [0,1,0,0,1,0|2,0,0]=4 333 B18R2.3884 CC(C)Sc1ccc(-c2cccc(Br)c2)cc1 Amb31161155 [0,1,0,0,1,0|1,0,0]=3 334 B18R2.3884 CC(C)Sc1ccc(-c2cccc(N)c2)cc1 Amb31185515 [0,1,0,0,1,0|1,0,0]=3 335 B18R2.3884 CC(N)Cc1ccc(-c2cccc(Cl)c2)cc1 Amb18935076 [0,1,0,0,1,0|2,0,0]=4 336 B18R2.3884 CN(C)Cc1ccc(-c2cccc(O)c2)cc1 Amb17137483 [0,1,0,0,1,0|2,0,0]=4 337 B18R2.3884 Cc1cccc(-c2ccc(CC(C)N)cc2)c1 Amb18935193 [0,1,0,0,1,0|2,0,0]=4 338 B18R2.4727 CC(C)Oc1ccc(-c2cccnc2Cl)cc1 Amb17259646 [0,1,0,0,1,0|2,0,0]=4 339 B18R2.4727 CC(C)Oc1ccc(-c2cnccc2N)cc1 Amb18571898 [0,1,0,0,1,0|2,0,0]=4 340 B18R2.4727 CC(C)Oc1ccc(-c2ncccc2N)cc1 Amb18070392 [0,1,0,0,1,0|2,0,0]=4 341 B18R2.4727 CC(N)Cc1ccc(-c2ccccc2Cl)cc1 Amb18935088 [0,1,0,0,1,0|2,0,0]=4 342 B18R2.4727 CC(N)Cc1ccc(-c2ccccc2F)cc1 Amb18271351 [0,1,0,0,1,0|2,0,0]=4 343 B18R2.4727 CN(C)Cc1ccc(-c2ccccc2N)cc1 Amb17137478 [0,1,0,0,1,0|2,0,0]=4 344 B18R2.32246 CC(C)(N)Cc1ccc(-c2ccccc2)cc1 Amb18070124 [0,1,0,0,1,0|1,0,0]=3 345 B18R2.32246 CC(C)(O)Cc1ccc(-c2ccccc2)cc1 Amb30593375 [0,1,0,0,1,0|1,0,0]=3 346 B18R2.32246 CS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 Amb2682384 [0,1,0,0,1,0|2,0,0]=4 347 B20R2.2705 CC(Br)C(=O)Nc1ccc(Oc2ccccc2)cc1 Amb17333115 [0,1,0,0,0,1|2,0,0]=4 348 B20R2.2705 CC(Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 Amb1204240 [0,1,0,0,0,1|2,0,0]=4 349 B20R2.2705 CC(N)C(=O)Nc1ccc(Oc2ccccc2)cc1 Amb6274133 [0,1,0,0,0,1|2,0,0]=4 350 B20R2.4471 CC(C)OC(=O)c1ccc(Cc2ccccc2)cc1 Amb18942276 [0,1,0,0,0,1|2,0,0]=4 351 B20R2.4471 CC(C)OC(=O)c1ccc(Oc2ccccc2)cc1 Amb18276590 [0,1,0,0,0,1|2,0,0]=4 352 B20R2.8665 CC(C)CCc1ccc(Oc2ccccc2N)cc1 Amb24090006 [0,1,0,0,0,1|2,0,0]=4 353 B20R2.8665 CC(C)COc1ccc(Nc2ncccc2N)cc1 Amb17067626 [0,1,0,0,0,1|2,0,0]=4 354 B20R2.15796 CC(C)COc1ccc(Nc2ccc(N)cn2)cc1 Amb17041136 [0,1,0,0,0,1|2,0,0]=4 355 B20R2.15796 CC(C)COc1ccc(Nc2ccc(N)nc2)cc1 Amb17041229 [0,1,0,0,0,1|2,0,0]=4 356 B20R2.8668 CC(C)Oc1ccc(NCc2ccccc2F)cc1 Amb7781581 [0,1,0,0,0,1|1,0,0]=3 357 B20R2.8668 CN(C)Cc1ccc(NCc2ccccc2Cl)cc1 Amb9613209 [0,1,0,0,0,1|2,0,0]=4 358 B20R2.15999 CC(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1 Amb6687168 [0,1,0,0,0,1|1,0,1]=4 359 B20R2.15999 CC(C)Nc1ccc(OCc2ccc(Cl)cc2)cc1 Amb17307075 [0,1,0,0,0,1|1,0,0]=3 360 B20R2.15999 CC(C)Oc1ccc(CNc2ccc(F)cc2)cc1 Amb9629093 [0,1,0,0,0,1|1,0,0]=3 361 B20R2.15999 CN(C)Cc1ccc(NCc2ccc(Cl)cc2)cc1 Amb9613212 [0,1,0,0,0,1|2,0,0]=4 362 B20R2.17713 CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Amb6422714 [0,1,0,0,0,1|1,0,1]=4 363 B20R2.17713 CC(C)Oc1ccc(NC(C)c2ccccn2)cc1 Amb9207648 [0,1,0,0,0,1|2,0,0]=4 364 B20R2.17722 CC(C)Oc1ccc(C(=O)Nc2cccnc2)cc1 Amb6537441 [0,1,0,0,0,1|2,0,0]=4 365 B20R2.24657 CC(C)C(=O)c1ccc(SCc2ccccc2)cc1 Amb17481901 [0,1,0,0,0,1|2,0,0]=4 366 B20R2.2714548 CC(C)(C)Oc1ccc(CNc2ccccc2)cc1 Amb18269858 [0,1,0,0,0,1|1,0,0]=3 367 B20R2.2714548 CC(C)(C)Oc1ccc(CNc2cccnc2)cc1 Amb18932623 [0,1,0,0,0,1|2,0,0]=4 368 B20R2.2714548 CS(=O)(=O)Nc1ccc(NCc2ccccc2)cc1 Amb9591164 [0,1,0,0,0,1|2,0,0]=4 369 B20R2.10538 CC(C)C(C)(N)c1ccc(Oc2ccccc2)cc1 Amb18585486 [0,2,0,0,0,0|2,0,0]=4 370 B20R2.24665 CC(C)C(=O)c1ccc(N(C)c2ccccc2)cc1 Amb17161773 [0,2,0,0,0,0|1,0,0]=3 371 B20R2.29393 CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1 Amb6356833 [0,2,0,0,0,0|2,0,0]=4 372 B20R2.392 N#CCC(=O)Nc1ccc(Nc2ccccc2)cc1 Amb17210498 [0,2,0,0,0,0|1,0,1]=4 373 B20R2.7806 CC(C)(C#N)Nc1ccc(Oc2ccccc2)cc1 Amb17413775 [0,2,0,0,0,0|1,0,0]=3 374 B20R2.140372 Cc1cc(OC(C)(C)C)ccc1Nc2ccncc2 Amb18269077 [0,2,0,0,0,0|2,0,0]=4 375 B20R2.3401 CN(C)Cc1ccc(Nc2cccc(C#N)c2)cc1 Amb18268795 [0,2,0,0,0,0|2,0,0]=4 376 B20R2.3401 COc1cccc(Nc2ccc(OC(C)C)cc2)c1 Amb18930825 [0,2,0,0,0,0|1,0,0]=3 377 B20R2.4685 CC(C)Oc1ccc(Nc2cccc(Cl)c2Cl)cc1 Amb18930808 [0,2,0,0,0,0|1,0,0]=3 378 B20R2.4685 Cc1c(Cl)cccc1Nc2ccc(OC(C)C)cc2 Amb18930809 [0,2,0,0,0,0|1,0,0]=3 379 B20R2.4814 CC(C)Oc1ccc(Nc2cc(F)ccc2F)cc1 Amb18930819 [0,2,0,0,0,0|1,0,0]=3 380 B20R2.4814 CN(C)Cc1ccc(Nc2cc(F)ccc2F)cc1 Amb18931471 [0,2,0,0,0,0|2,0,0]=4 381 B20R2.4814 Cc1ccc(Cl)cc1Nc2ccc(CN(C)C)cc2 Amb18268198 [0,2,0,0,0,0|2,0,0]=4 382 B20R2.15382 CC(C)Oc1ccc(Nc2ccc(F)c(F)c2)cc1 Amb18930817 [0,2,0,0,0,0|1,0,0]=3 383 B20R2.15382 CN(C)Cc1ccc(Nc2ccc(F)c(Cl)c2)cc1 Amb18268072 [0,2,0,0,0,0|2,0,0]=4 384 B20R2.15382 CN(C)Cc1ccc(Nc2ccc(F)c(F)c2)cc1 Amb18931546 [0,2,0,0,0,0|2,0,0]=4 385 B20R2.15382 Cc1cc(Nc2ccc(OC(C)C)cc2)ncc1N Amb18879479 [0,2,0,0,0,0|2,0,0]=4 386 B20R2.15382 Cc1ccc(Nc2ccc(CN(C)C)cc2)cc1Cl Amb18268259 [0,2,0,0,0,0|2,0,0]=4 387 B20R2.15382 Cc1ccc(Nc2ccc(OC(C)C)cc2)cc1C Amb18930827 [0,2,0,0,0,0|1,0,0]=3 388 B20R2.153159 CC(C)Cc1ccc(C(=O)c2cccc(N)c2)cc1 Amb17263476 [0,2,0,0,0,0|2,0,0]=4 389 B20R2.153159 CC(C)Oc1ccc(C(=O)c2cccc(F)c2)cc1 Amb8989907 [0,2,0,0,0,0|2,0,0]=4 390 B20R2.153159 CC(C)Oc1ccc(C(=O)c2cccc(N)c2)cc1 Amb17229435 [0,2,0,0,0,0|2,0,0]=4 391 B20R2.153159 CC(C)Sc1ccc(C(=O)c2cccc(N)c2)cc1 Amb18055642 [0,2,0,0,0,0|2,0,0]=4 392 B20R2.153159 Cc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1 Amb8989905 [0,2,0,0,0,0|2,0,0]=4 393 B20R2.6637 CC(C)(C)Cc1ccc(Oc2ccccc2N)cc1 Amb24093996 [0,2,0,0,0,0|2,0,0]=4 394 B20R2.6637 CC(C)(C)Oc1ccc(Nc2ccccc2Cl)cc1 Amb18930692 [0,2,0,0,0,0|1,0,0]=3 395 B20R2.6637 CC(C)(C)Oc1ccc(Nc2ccccc2F)cc1 Amb18930697 [0,2,0,0,0,0|1,0,0]=3 396 B20R2.8344 CC(C)Cc1ccc(C(=O)c2ccccc2N)cc1 Amb17263477 [0,2,0,0,0,0|2,0,0]=4 397 B20R2.8344 CC(C)Oc1ccc(C(=O)c2ccccc2N)cc1 Amb17229437 [0,2,0,0,0,0|2,0,0]=4 398 B20R2.8344 CC(C)Sc1ccc(C(=O)c2ccccc2N)cc1 Amb18554498 [0,2,0,0,0,0|2,0,0]=4 399 B20R2.8344 Cc1ccccc1C(=O)c2ccc(OC(C)C)cc2 Amb8989910 [0,2,0,0,0,0|2,0,0]=4 400 B20R2.18909 CC(C)Oc1ccc(Nc2ncccc2C#N)cc1 Amb7781820 [0,2,0,0,0,0|2,0,0]=4 401 B20R2.18909 COc1ccccc1Nc2ccc(CN(C)C)cc2 Amb18931696 [0,2,0,0,0,0|2,0,0]=4 402 B20R2.156213 CC(=O)Nc1ccc(Nc2ccc(Cl)cc2N)cc1 Amb18595410 [0,2,0,0,0,0|1,0,1]=4 403 B20R2.156213 CC(=O)Nc1ccc(Nc2ccc(N)cc2Cl)cc1 Amb18595412 [0,2,0,0,0,0|1,0,1]=4 404 B20R2.156213 CC(C)Oc1ccc(Nc2ccc(Cl)cc2N)cc1 Amb7803526 [0,2,0,0,0,0|1,0,0]=3 405 B20R2.156213 CC(C)Oc1ccc(Nc2ccc(N)cc2Cl)cc1 Amb7803523 [0,2,0,0,0,0|1,0,0]=3 406 B20R2.156213 CC(C)Oc1ccc(Nc2ncc(N)cc2Cl)cc1 Amb18888468 [0,2,0,0,0,0|2,0,0]=4 407 B20R2.156213 CN(C)Cc1ccc(Nc2ccc(F)cc2F)cc1 Amb18268562 [0,2,0,0,0,0|2,0,0]=4 408 B20R2.156213 Cc1cc(N)cnc1Nc2ccc(OC(C)C)cc2 Amb18879478 [0,2,0,0,0,0|2,0,0]=4 409 B20R2.49 CC(C)Oc1ccc(Nc2ccc(C#N)cn2)cc1 Amb7781821 [0,2,0,0,0,0|2,0,0]=4 410 B20R2.4429 CC(C)(C)Oc1ccc(Nc2ccc(Cl)cc2)cc1 Amb18930690 [0,2,0,0,0,0|1,0,0]=3 411 B20R2.15344 CC(C)Cc1ccc(C(=O)c2ccc(N)cc2)cc1 Amb17263475 [0,2,0,0,0,0|2,0,0]=4 412 B20R2.15344 CC(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 Amb8841023 [0,2,0,0,0,0|2,0,0]=4 413 B20R2.15344 CC(C)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 Amb8978782 [0,2,0,0,0,0|2,0,0]=4 414 B20R2.15344 CC(C)Oc1ccc(C(=O)c2ccc(N)cc2)cc1 Amb17229436 [0,2,0,0,0,0|2,0,0]=4 415 B20R2.15344 CC(C)Sc1ccc(C(=O)c2ccc(N)cc2)cc1 Amb18055643 [0,2,0,0,0,0|2,0,0]=4 416 B20R2.15344 Cc1ccc(C(=O)c2ccc(OC(C)C)cc2)cc1 Amb8989913 [0,2,0,0,0,0|2,0,0]=4 417 B18R2.3199 CC(C)Oc1ccc(-n2cccc2C=O)cc1 Amb840002 [0,0,1,1,0,0|2,0,0]=4 418 B18R3.12792 c1ccc(Nc2ccc3c(c2)CCN3)nc1 Amb18917534 [1,0,0,1,0,0|1,0,0]=3 419 B18R3.12792 c1ccc(Oc2ccc3c(c2)CCN3)cc1 Amb1135972 [1,0,0,1,0,0|1,0,0]=3 420 B18R3.12792 c1cnc(Nc2ccc3c(c2)CCN3)nc1 Amb18255177 [1,0,0,1,0,0|2,0,0]=4 421 B18R3.90 NC1CC1c2ccc(-c3ccccc3)cc2 Amb9677207 [0,0,0,1,1,0|2,0,0]=4 422 B18R3.90 N[C@@H]1C[C@H]1c2ccc(-c3ccccc3)cc2 Amb33081652 [0,0,0,1,1,0|2,0,0]=4 423 B18R3.151 O=C1Cc2cc(-c3ccccc3)ccc2N1 Amb17240220 [0,0,0,1,1,0|1,0,1]=4 424 B18R3.12809 c1ccc(-c2ccc(CC3CO3)cc2)cc1 Amb24080712 [0,0,0,1,1,0|2,0,0]=4 425 B18R3.12809 c1ccc(-c2ccc(NC3CC3)cc2)cc1 Amb31117816 [0,0,0,1,1,0|0,0,0]=2 426 B20R3.14684554 CC1(C)CNc2ccc(Oc3ccccc3)cc21 Amb18899938 [0,0,0,1,0,1|1,0,0]=3 427 B20R3.12027 CN1Cc2ccc(NCc3ccccc3)cc2C1 Amb29859631 [0,0,0,1,0,1|2,0,0]=4 428 B20R3.700 NCC1CC1c2ccc(Oc3ccccc3)cc2 Amb32951577 [0,1,0,1,0,0|2,0,0]=4 429 B20R3.700 NC[C@@H]1C[C@H]1c2ccc(Oc3ccccc3)cc2 Amb32951574 [0,1,0,1,0,0|2,0,0]=4 430 B20R3.2731 c1ccc(Cc2ccc(OC3CNC3)cc2)cc1 Amb21956445 [0,1,0,1,0,0|2,0,0]=4 431 B20R3.2731 c1ccc(Oc2ccc(CC3CNC3)cc2)cc1 Amb18577139 [0,1,0,1,0,0|2,0,0]=4 432 B20R3.2731 c1ccc(Oc2ccc(OC3CNC3)cc2)cc1 Amb32955633 [0,1,0,1,0,0|2,0,0]=4 433 B20R3.6017 NC1(Cc2ccc(Oc3ccccc3)cc2)CC1 Amb32952244 [0,1,0,1,0,0|2,0,0]=4 434 B20R3.6017 OC1(Cc2ccc(Oc3ccccc3)cc2)CC1 Amb32951587 [0,1,0,1,0,0|2,0,0]=4 435 B20R3.2789488 CN1Cc2ccc(Nc3cccc(Cl)c3)cc2C1 Amb18268005 [0,1,0,1,0,0|2,0,0]=4 436 B20R3.2789488 CN1Cc2ccc(Nc3cccc(F)c3)cc2C1 Amb18930994 [0,1,0,1,0,0|2,0,0]=4 437 B20R3.407802 CN1Cc2ccc(Nc3ccc(F)cc3)cc2C1 Amb18268010 [0,1,0,1,0,0|2,0,0]=4 438 B20R3.12019 CC1Cc2cc(C(=O)c3ccccc3)ccc2N1 Amb17121841 [0,1,0,1,0,0|1,0,0]=3 439 B20R3.3478484 CC(=O)Nc1ccc2c(c1)c3ccccc3n2C Amb2225351 [0,1,0,1,0,0|1,0,1]=4 440 B16R2.7 BrCCc1ccc(-c2ccccc2)cc1 Amb18548871 [1,0,0,0,1,0|2,0,0]=4 441 B16R2.7 CCCc1ccc(-c2ccccc2)cc1 Amb4036285 [1,0,0,0,1,0|1,0,0]=3 442 B16R2.7 CCNc1ccc(-c2ccccc2)cc1 Amb9226196 [1,0,0,0,1,0|0,0,0]=2 443 B16R2.7 CCNc1ccc(-c2cccnc2)cc1 Amb32697528 [1,0,0,0,1,0|1,0,0]=3 444 B16R2.7 CCNc1ccc(-c2cccnn2)cc1 Amb32697336 [1,0,0,0,1,0|2,0,0]=4 445 B16R2.7 CCNc1ccc(-c2ccncc2)cc1 Amb32697521 [1,0,0,0,1,0|1,0,0]=3 446 B16R2.7 CCNc1ccc(-c2cnccn2)cc1 Amb32697547 [1,0,0,0,1,0|2,0,0]=4 447 B16R2.7 CCNc1ccc(-c2cncnc2)cc1 Amb32697527 [1,0,0,0,1,0|2,0,0]=4 448 B16R2.7 CCNc1ccc(-c2ncccn2)cc1 Amb32697546 [1,0,0,0,1,0|2,0,0]=4 449 B16R2.7 CCOc1ccc(-c2ccccc2)cc1 Amb3632020 [1,0,0,0,1,0|1,0,0]=3 450 B16R2.7 CCOc1ccc(-c2ccccc2)cn1 Amb33872966 [1,0,0,0,1,0|2,0,0]=4 451 B16R2.7 CNCc1ccc(-c2ccccc2)cc1 Amb1120613 [1,0,0,0,1,0|2,0,0]=4 452 B16R2.7 CNCc1ccc(-c2ccccc2)cc1 Amb6865176 [1,0,0,0,1,0|2,0,0]=4 453 B16R2.7 ClCCc1ccc(-c2ccccc2)cc1 Amb18049971 [1,0,0,0,1,0|2,0,0]=4 454 B16R2.7 NCCc1ccc(-c2ccccc2)cc1 Amb20669578 [1,0,0,0,1,0|2,0,0]=4 455 B16R2.7 NCCc1ccc(-c2ccccc2)cc1 Amb2684698 [1,0,0,0,1,0|2,0,0]=4 456 B16R2.7 OCCc1ccc(-c2ccccc2)cc1 Amb10975826 [1,0,0,0,1,0|2,0,0]=4 457 B16R2.7 SCCc1ccc(-c2ccccc2)cc1 Amb17471504 [1,0,0,0,1,0|2,0,0]=4 458 B16R2.85 CC(=O)c1ccc(-c2ccccc2)cc1 Amb1216476 [0,0,0,0,2,0|1,0,1]=4 459 B16R2.85 CC(Br)c1ccc(-c2ccccc2)cc1 Amb8835402 [0,0,0,0,2,0|1,0,0]=3 460 B16R2.85 CC(C)c1ccc(-c2ccccc2)cc1 Amb8384527 [0,0,0,0,2,0|0,0,0]=2 461 B16R2.85 CC(N)c1ccc(-c2ccccc2)cc1 Amb1995319 [0,0,0,0,2,0|1,0,0]=3 462 B16R2.85 CC(N)c1ccc(-c2ccccc2)cc1 Amb9703029 [0,0,0,0,2,0|1,0,0]=3 463 B16R2.85 CC(N)c1ccc(-c2ccccn2)cc1 Amb18935276 [0,0,0,0,2,0|2,0,0]=4 464 B16R2.85 CC(N)c1ccc(-c2cccnc2)cc1 Amb18281669 [0,0,0,0,2,0|2,0,0]=4 465 B16R2.85 CC(N)c1ccc(-c2cccnc2)cc1 Amb33527659 [0,0,0,0,2,0|2,0,0]=4 466 B16R2.85 CC(N)c1ccc(-c2ccncc2)cc1 Amb18966091 [0,0,0,0,2,0|2,0,0]=4 467 B16R2.85 CC(O)c1ccc(-c2ccccc2)cc1 Amb1792046 [0,0,0,0,2,0|1,0,0]=3 468 B16R2.85 CC(S)c1ccc(-c2ccccc2)cc1 Amb7784716 [0,0,0,0,2,0|1,0,0]=3 469 B16R2.85 CN(C)c1ccc(-c2ccccn2)cc1 Amb19928803 [0,0,0,0,2,0|2,0,0]=4 470 B16R2.85 CN(C)c1ccc(-c2ccncc2)cc1 Amb1021757 [0,0,0,0,2,0|2,0,0]=4 471 B16R2.85 C[C@@H](N)c1ccc(-c2ccccc2)cc1 Amb19374896 [0,0,0,0,2,0|1,0,0]=3 472 B16R2.85 C[C@@H](O)c1ccc(-c2ccccc2)cc1 Amb6893474 [0,0,0,0,2,0|1,0,0]=3 473 B16R2.85 C[C@H](N)c1ccc(-c2ccccc2)cc1 Amb33868859 [0,0,0,0,2,0|1,0,0]=3 474 B16R2.85 C[C@H](N)c1ccc(-c2ccccc2)cc1 Amb6893477 [0,0,0,0,2,0|1,0,0]=3 475 B16R2.85 C[C@H](O)c1ccc(-c2ccccc2)cc1 Amb6893475 [0,0,0,0,2,0|1,0,0]=3 476 B16R2.157 CC(C)Nc1nc(-c2ccccc2)cs1 Amb244389 [0,0,0,0,2,0|2,0,0]=4 477 B18R2.3840 CCNc1ccc(NCc2ccccc2)nc1 Amb17318019 [1,0,0,0,0,1|1,0,0]=3 478 B18R2.3840 CCNc1ccc(NCc2ccncc2)nc1 Amb17317966 [1,0,0,0,0,1|2,0,0]=4 479 B18R2.3840 CCOc1ccc(CNc2cccnc2)cc1 Amb6686473 [1,0,0,0,0,1|2,0,0]=4 480 B18R2.3840 CCOc1ccc(NCc2ccccc2)cc1 Amb2508175 [1,0,0,0,0,1|1,0,0]=3 481 B18R2.3840 CCOc1ccc(NCc2cccnc2)cc1 Amb6573937 [1,0,0,0,0,1|2,0,0]=4 482 B18R2.3840 CCOc1ccc(NCc2ccncc2)cc1 Amb1926878 [1,0,0,0,0,1|2,0,0]=4 483 B18R2.3840 CCOc1ccc(OCc2ccccc2)cc1 Amb10766322 [1,0,0,0,0,1|2,0,0]=4 484 B18R2.3840 CCOc1ccc(\C=N\c2ccccc2)cc1 Amb6344516 [1,0,0,0,0,1|1,0,1]=4 485 B18R2.3840 COCc1ccc(NCc2ccccc2)cc1 Amb28255213 [1,0,0,0,0,1|2,0,0]=4 486 B18R2.7076 CC(=O)c1ccc(NCc2ccccc2)cc1 Amb8394239 [0,0,0,0,1,1|1,0,1]=4 487 B18R2.7076 CC(Br)c1ccc(OCc2ccccc2)cc1 Amb8835434 [0,0,0,0,1,1|2,0,0]=4 488 B18R2.7076 CC(C)c1ccc(CNc2ccccc2)cc1 Amb837773 [0,0,0,0,1,1|0,0,0]=2 489 B18R2.7076 CC(C)c1ccc(CNc2ccccn2)cc1 Amb1763154 [0,0,0,0,1,1|1,0,0]=3 490 B18R2.7076 CC(C)c1ccc(COc2ccccc2)cc1 Amb22266097 [0,0,0,0,1,1|1,0,0]=3 491 B18R2.7076 CC(C)c1ccc(NCc2ccccc2)cc1 Amb6632028 [0,0,0,0,1,1|0,0,0]=2 492 B18R2.7076 CC(C)c1ccc(NCc2ccccn2)cc1 Amb6692948 [0,0,0,0,1,1|1,0,0]=3 493 B18R2.7076 CC(C)c1ccc(NCc2cccnc2)cc1 Amb6692903 [0,0,0,0,1,1|1,0,0]=3 494 B18R2.7076 CC(C)c1ccc(NCc2ccncc2)cc1 Amb6692907 [0,0,0,0,1,1|1,0,0]=3 495 B18R2.7076 CC(C)c1ccc(OCc2ccccc2)cc1 Amb25026888 [0,0,0,0,1,1|1,0,0]=3 496 B18R2.7076 CC(N)c1ccc(CCc2ccccc2)cc1 Amb3789722 [0,0,0,0,1,1|2,0,0]=4 497 B18R2.7076 CC(N)c1ccc(COc2ccccc2)cc1 Amb29847183 [0,0,0,0,1,1|2,0,0]=4 498 B18R2.7076 CC(N)c1ccc(NCc2ccccc2)nc1 Amb23446504 [0,0,0,0,1,1|2,0,0]=4 499 B18R2.7076 CC(N)c1ccc(OCc2ccccc2)cc1 Amb1138339 [0,0,0,0,1,1|2,0,0]=4 500 B18R2.7076 CC(O)c1ccc(COc2ccccc2)cc1 Amb29847182 [0,0,0,0,1,1|2,0,0]=4 501 B18R2.7076 CC(O)c1ccc(OCc2ccccc2)cc1 Amb1109805 [0,0,0,0,1,1|2,0,0]=4 502 B18R2.7076 CC(S)c1ccc(OCc2ccccc2)cc1 Amb7784757 [0,0,0,0,1,1|2,0,0]=4 503 B18R2.7076 CN(C)c1ccc(CNc2ccccc2)cc1 Amb838869 [0,0,0,0,1,1|1,0,0]=3 504 B18R2.7076 CN(C)c1ccc(CNc2ccccn2)cc1 Amb1839684 [0,0,0,0,1,1|2,0,0]=4 505 B18R2.7076 CN(C)c1ccc(CNc2ccncc2)cc1 Amb18932736 [0,0,0,0,1,1|2,0,0]=4 506 B18R2.7076 CN(C)c1ccc(NCc2ccccc2)cc1 Amb838346 [0,0,0,0,1,1|1,0,0]=3 507 B18R2.7076 CN(C)c1ccc(NCc2ccccn2)cc1 Amb33532250 [0,0,0,0,1,1|2,0,0]=4 508 B18R2.7076 CN(C)c1ccc(NCc2cccnc2)cc1 Amb837858 [0,0,0,0,1,1|2,0,0]=4 509 B18R2.7076 CN(C)c1ccc(NCc2ccncc2)cc1 Amb838389 [0,0,0,0,1,1|2,0,0]=4 510 B18R2.7076 CN(C)c1ccc(\C=C\c2ccccc2)cc1 Amb33997901 [0,0,0,0,1,1|2,0,0]=4 511 B18R2.7076 CN(C)c1ccc(\C=N\c2ccccc2)cc1 Amb3095227 [0,0,0,0,1,1|1,0,1]=4 512 B18R2.7076 CN(C)c1ccc(\N=N\c2ccccc2)cc1 Amb9171877 [0,0,0,0,1,1|1,0,1]=4 513 B18R2.7076 C[C@@H](N)c1ccc(OCc2ccccc2)cc1 Amb2699307 [0,0,0,0,1,1|2,0,0]=4 514 B18R2.7076 C[C@@H](O)c1ccc(OCc2ccccc2)cc1 Amb6893551 [0,0,0,0,1,1|2,0,0]=4 515 B18R2.7076 C[C@H](N)c1ccc(NCc2ccccc2)cc1 Amb27964519 [0,0,0,0,1,1|1,0,0]=3 516 B18R2.7076 C[C@H](N)c1ccc(OCc2ccccc2)cc1 Amb2699308 [0,0,0,0,1,1|2,0,0]=4 517 B18R2.7076 C[C@H](O)c1ccc(OCc2ccccc2)cc1 Amb6893550 [0,0,0,0,1,1|2,0,0]=4 518 B18R2.7076 FC(F)c1ccc(NCc2ccccc2)cc1 Amb27470302 [0,0,0,0,1,1|2,0,0]=4 519 B18R2.312 CC(=O)Nc1cccc(Nc2ccccc2)c1 Amb8392746 [0,0,0,0,1,1|1,0,1]=4 520 B18R2.7098 CC(C)NCc1ccc(-c2ccccc2)cc1 Amb2118688 [0,0,0,0,1,1|0,0,0]=2 521 B18R2.7098 CC(C)NCc1ccc(-c2ccccc2)cc1 Amb6685380 [0,0,0,0,1,1|0,0,0]=2 522 B18R2.7098 CC(N)CCc1ccc(-c2ccccc2)cc1 Amb18227633 [0,0,0,0,1,1|2,0,0]=4 523 B18R2.7098 CC(N)\C=C\c1ccc(-c2ccccc2)cc1 Amb32953210 [0,0,0,0,1,1|2,0,0]=4 524 B18R2.7098 CC(O)CCc1ccc(-c2ccccc2)cc1 Amb33082970 [0,0,0,0,1,1|2,0,0]=4 525 B18R2.7098 C[C@@H](N)CCc1ccc(-c2ccccc2)cc1 Amb33081809 [0,0,0,0,1,1|2,0,0]=4 526 B18R2.7098 C[C@@H](N)COc1ccc(-c2ccccc2)cc1 Amb18036070 [0,0,0,0,1,1|2,0,0]=4 527 B18R2.7098 C[C@@H](O)CCc1ccc(-c2ccccc2)cc1 Amb33081808 [0,0,0,0,1,1|2,0,0]=4 528 B18R2.7098 C[C@H](N)CCc1ccc(-c2ccccc2)cc1 Amb33081810 [0,0,0,0,1,1|2,0,0]=4 529 B18R2.7098 C[C@H](O)CCc1ccc(-c2ccccc2)cc1 Amb33081807 [0,0,0,0,1,1|2,0,0]=4 530 B20R2.202 CN(C)CCNc1ccc(Oc2ccccc2)cc1 Amb6708983 [0,0,0,0,0,2|2,0,0]=4 531 B20R2.202 CN(C)CCOc1ccc(Nc2ccccc2)cc1 Amb18931938 [0,0,0,0,0,2|2,0,0]=4 532 B20R2.10648 CC(C)CNc1ccc(OCc2ccccc2)cc1 Amb17306947 [0,0,0,0,0,2|1,0,0]=3 533 B20R2.10648 CC(C)COc1ccc(CNc2ccccc2)cc1 Amb17162281 [0,0,0,0,0,2|1,0,0]=3 534 B20R2.10648 CC(C)NCc1ccc(OCc2ccccc2)cc1 Amb2118463 [0,0,0,0,0,2|1,0,0]=3 535 B20R2.10648 CC(C)NCc1ccc(OCc2ccccc2)cc1 Amb6685378 [0,0,0,0,0,2|1,0,0]=3 536 B20R2.17714 CC(=O)Nc1ccc(CNCc2ccccc2)cc1 Amb29471677 [0,0,0,0,0,2|1,0,1]=4 537 B20R2.17714 CC(C)Cc1ccc(CNCc2ccccc2)cn1 Amb32993541 [0,0,0,0,0,2|2,0,0]=4 538 B20R2.17714 CC(C)Oc1ccc(CNCc2ccccc2)cc1 Amb9292986 [0,0,0,0,0,2|1,0,0]=3 539 B20R2.17714 CC(C)Oc1ccc(CNCc2cccnc2)cc1 Amb9292994 [0,0,0,0,0,2|2,0,0]=4 540 B20R2.17714 CC(C)Oc1ccc(NCCc2ccccc2)cc1 Amb7781656 [0,0,0,0,0,2|1,0,0]=3