0 B16R3.1795 c1cc(N2CCC3CNCC32)ccn1 Amb28134422 [0,0,0,0,0,0|4,0,0]=4 1 B16R3.1795 c1ccc(C2=C3COCC3CC2)cc1 Amb27784174 [0,0,0,0,0,0|2,0,2]=4 2 B16R3.1795 c1ccc(C2=NOC3CNCC23)cc1 Amb27659447 [0,0,0,0,0,0|3,0,1]=4 3 B16R3.1795 c1ccc(C2CN=C3NCCN32)cc1 Amb35788297 [0,0,0,0,0,0|2,0,2]=4 4 B16R3.1795 c1ccc(C2CN=C3NCCN32)cc1 Amb8387307 [0,0,0,0,0,0|2,0,2]=4 5 B16R3.1795 c1ccc(C2CNC3CCCC32)cc1 Amb9783188 [0,0,0,0,0,0|0,0,0]=0 6 B16R3.1795 c1ccc(C2NCC3CCCN32)cc1 Amb17190321 [0,0,0,0,0,0|3,0,0]=3 7 B16R3.1795 c1ccc(C2NN=C3CCCN32)cc1 Amb24119323 [0,0,0,0,0,0|2,0,2]=4 8 B16R3.1795 c1ccc(N2CCC3CNCC32)cc1 Amb2372735 [0,0,0,0,0,0|3,0,0]=3 9 B16R3.1795 c1ccc(N2CC[C@@H]3CNC[C@@H]32)cc1 Amb27195444 [0,0,0,0,0,0|3,0,0]=3 10 B16R3.1795 c1ccc(N2CC[C@H]3CNC[C@H]32)cc1 Amb26637106 [0,0,0,0,0,0|3,0,0]=3 11 B16R3.1795 c1ccc(N2N=NC3CNCC32)cc1 Amb27607688 [0,0,0,0,0,0|3,0,1]=4 12 B17R3.108 CN1CC2CNCC2C1c3ccccc3 Amb19370968 [0,1,0,0,0,0|3,0,0]=4 13 B17R3.2443 Fc1cc(N2CCC3CCCC32)ccn1 Amb27750741 [0,1,0,0,0,0|3,0,0]=4 14 B17R3.2443 Fc1cccc(N2CCC3CCCC32)n1 Amb27648046 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.66 C=CCC1CC(c2ccccc2)CN1 Amb27876148 [0,0,1,0,0,0|0,0,2]=3 16 B15R2.66 CCNC1CCC(c2cccnc2)C1 Amb28126021 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.66 CCNC1COC(c2ccccc2)C1 Amb35614816 [0,0,1,0,0,0|3,0,0]=4 18 B15R2.66 CCN[C@@H]1CCN(c2ccccc2)C1 Amb27858882 [0,0,1,0,0,0|3,0,0]=4 19 B15R2.66 CC\N=C1\NCC(c2ccccc2)O1 Amb27832534 [0,0,1,0,0,0|2,0,1]=4 20 B15R2.66 CNCC1CCN(c2ccccc2)C1 Amb5755158 [0,0,1,0,0,0|3,0,0]=4 21 B15R2.66 CNCC1CCN(c2ccccc2)C1 Amb8503257 [0,0,1,0,0,0|3,0,0]=4 22 B15R2.66 CSCC1CCC(c2ccccc2)N1 Amb28204070 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.66 NCCC1OCC(c2ccccc2)O1 Amb17470837 [0,0,1,0,0,0|3,0,0]=4 24 B15R2.66 NCCN1CCC(c2ccccc2)C1 Amb2720689 [0,0,1,0,0,0|3,0,0]=4 25 B15R2.66 OCCC1CC[C@@H](c2ccccc2)N1 Amb32946703 [0,0,1,0,0,0|3,0,0]=4 26 B15R2.66 OCC[C@H]1C[C@H](c2ccccc2)ON1 Amb27775545 [0,0,1,0,0,0|2,0,0]=3 27 B15R2.72 CCCC1CCNC1c2ccccc2 Amb19072726 [0,0,1,0,0,0|2,0,0]=3 28 B15R2.72 CCCC1CNCC1c2ccccc2 Amb32655562 [0,0,1,0,0,0|0,0,0]=1 29 B15R2.72 CCCC1OCCN1c2ccccc2 Amb26652822 [0,0,1,0,0,0|3,0,0]=4 30 B15R2.72 CCC[C@@H]1CCN[C@H]1c2ccccc2 Amb27259208 [0,0,1,0,0,0|2,0,0]=3 31 B15R2.72 CCC[C@H]1CCN[C@H]1c2ccccc2 Amb27790717 [0,0,1,0,0,0|2,0,0]=3 32 B15R2.72 CCNC1CCCC1c2cccnc2 Amb18993623 [0,0,1,0,0,0|3,0,0]=4 33 B15R2.72 CCNC1CCOC1c2ccccc2 Amb27664969 [0,0,1,0,0,0|3,0,0]=4 34 B15R2.72 CCNC1COCC1c2ccccc2 Amb29877523 [0,0,1,0,0,0|2,0,0]=3 35 B15R2.72 CCNC1COCC1c2cccnc2 Amb29877524 [0,0,1,0,0,0|3,0,0]=4 36 B15R2.72 CCN[C@@H]1CCC[C@H]1c2ccccc2 Amb28256614 [0,0,1,0,0,0|2,0,0]=3 37 B15R2.72 CNCC1CCCN1c2ccccc2 Amb25028802 [0,0,1,0,0,0|3,0,0]=4 38 B15R2.72 CNC[C@@H]1CCO[C@H]1c2ccccc2 Amb27245006 [0,0,1,0,0,0|3,0,0]=4 39 B15R2.72 COCC1CNCC1c2ccccn2 Amb29848989 [0,0,1,0,0,0|2,0,0]=3 40 B15R2.72 NCCC1CCCC1c2ccccc2 Amb28384798 [0,0,1,0,0,0|2,0,0]=3 41 B15R2.72 NCCC1CCCN1c2ccccc2 Amb18819088 [0,0,1,0,0,0|3,0,0]=4 42 B15R2.72 OCC[C@H]1CCC[C@H]1c2ccccc2 Amb27452403 [0,0,1,0,0,0|2,0,0]=3 43 B15R2.118 BrCC1CCCN1Cc2ccccc2 Amb21861134 [0,0,1,0,0,0|3,0,0]=4 44 B15R2.118 BrC[C@H]1CCCN1Cc2ccccc2 Amb30012502 [0,0,1,0,0,0|3,0,0]=4 45 B15R2.118 C#CC1CCCN1Cc2ccccc2 Amb26967405 [0,0,1,0,0,0|2,0,1]=4 46 B15R2.118 C=CC1CCCN1Cc2ccccc2 Amb10568650 [0,0,1,0,0,0|2,0,1]=4 47 B15R2.118 CCC1=NCCC1Cc2ccccc2 Amb26356407 [0,0,1,0,0,0|2,0,1]=4 48 B15R2.118 CCC1CCCC1Nc2cccnc2 Amb27470494 [0,0,1,0,0,0|3,0,0]=4 49 B15R2.118 CCC1COCC1Nc2ccccc2 Amb30027213 [0,0,1,0,0,0|3,0,0]=4 50 B15R2.118 CNC1CCCC1Cc2ccccc2 Amb19040794 [0,0,1,0,0,0|0,0,0]=1 51 B15R2.118 CNC1CCCC1Cc2cccnc2 Amb27881411 [0,0,1,0,0,0|1,0,0]=2 52 B15R2.118 CNC1CCCC1Oc2ccccc2 Amb18982167 [0,0,1,0,0,0|1,0,0]=2 53 B15R2.118 CNC1CCCC1Sc2ccncn2 Amb27606252 [0,0,1,0,0,0|3,0,0]=4 54 B15R2.118 CNC1COCC1Cc2ccccc2 Amb35608458 [0,0,1,0,0,0|1,0,0]=2 55 B15R2.118 CNC1COCC1Cc2ccccn2 Amb35608464 [0,0,1,0,0,0|2,0,0]=3 56 B15R2.118 CNC1COCC1Cc2cccnc2 Amb35608461 [0,0,1,0,0,0|2,0,0]=3 57 B15R2.118 CNC1COCC1Cc2ccncc2 Amb35608460 [0,0,1,0,0,0|2,0,0]=3 58 B15R2.118 CN[C@@H]1CCC[C@H]1Oc2ccccc2 Amb28422726 [0,0,1,0,0,0|1,0,0]=2 59 B15R2.118 CN[C@H]1CCC[C@H]1Oc2ccccc2 Amb28052171 [0,0,1,0,0,0|1,0,0]=2 60 B15R2.118 COC1CCCC1Oc2ccccc2 Amb27625635 [0,0,1,0,0,0|2,0,0]=3 61 B15R2.118 ClCC1CCCN1Cc2ccccc2 Amb16187013 [0,0,1,0,0,0|3,0,0]=4 62 B15R2.118 ClC[C@@H]1CCCN1Cc2ccccc2 Amb22225470 [0,0,1,0,0,0|3,0,0]=4 63 B15R2.118 ClC[C@H]1CCCN1Cc2ccccc2 Amb15701449 [0,0,1,0,0,0|3,0,0]=4 64 B15R2.118 ClC[C@H]1CCCN1Cc2ccccc2 Amb22587343 [0,0,1,0,0,0|3,0,0]=4 65 B15R2.118 IC[C@@H]1CCCN1Cc2ccccc2 Amb22225472 [0,0,1,0,0,0|3,0,0]=4 66 B15R2.118 N#CC1CCCN1Cc2ccccc2 Amb33546095 [0,0,1,0,0,0|3,0,0]=4 67 B15R2.118 N#C[C@@H]1CCCN1Cc2ccccc2 Amb19888409 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.118 N#C[C@H]1CCCN1Cc2ccccc2 Amb27975643 [0,0,1,0,0,0|3,0,0]=4 69 B15R2.118 NCC1CCCC1Cc2ccncc2 Amb28046621 [0,0,1,0,0,0|3,0,0]=4 70 B15R2.118 NCC1CCCC1Nc2ccccc2 Amb27834016 [0,0,1,0,0,0|3,0,0]=4 71 B15R2.118 NCC1CCCN1Cc2ccccc2 Amb9731103 [0,0,1,0,0,0|3,0,0]=4 72 B15R2.118 NCC1CCNC1Cc2ccccc2 Amb18819084 [0,0,1,0,0,0|3,0,0]=4 73 B15R2.118 NC[C@@H]1CCCN1Cc2ccccc2 Amb22296986 [0,0,1,0,0,0|3,0,0]=4 74 B15R2.118 NC[C@H]1CCCN1Cc2ccccc2 Amb25291210 [0,0,1,0,0,0|3,0,0]=4 75 B15R2.118 O=CN1CCCC1Cc2ccccc2 Amb27242959 [0,0,1,0,0,0|3,0,0]=4 76 B15R2.118 O=C[C@@H]1CCCN1Cc2ccccc2 Amb22225482 [0,0,1,0,0,0|3,0,0]=4 77 B15R2.118 O=C[C@H]1CCC[C@@H]1Cc2ccccc2 Amb27439986 [0,0,1,0,0,0|2,0,0]=3 78 B15R2.118 OCC1CCCN1Cc2ccccc2 Amb18363965 [0,0,1,0,0,0|3,0,0]=4 79 B15R2.118 OCC1CCCN1Cc2ccccc2 Amb5755862 [0,0,1,0,0,0|3,0,0]=4 80 B15R2.118 OC[C@@H]1CCCN1Cc2ccccc2 Amb3939159 [0,0,1,0,0,0|3,0,0]=4 81 B15R2.118 OC[C@H]1CCCN1Cc2ccccc2 Amb8631564 [0,0,1,0,0,0|3,0,0]=4 82 B15R2.118 SCC1CCCN1Cc2ccccc2 Amb32953111 [0,0,1,0,0,0|3,0,0]=4 83 B15R2.131 BrCC(c1ccccc1)C2CCCC2 Amb17263193 [0,0,1,0,0,0|1,0,0]=2 84 B15R2.131 BrCC(c1ccccc1)C2CCSC2 Amb35704964 [0,0,1,0,0,0|2,0,0]=3 85 B15R2.131 C#CC(c1ccccc1)N2CCCC2 Amb28123412 [0,0,1,0,0,0|2,0,1]=4 86 B15R2.131 CCC(c1ccccc1)C2CCCN2 Amb2235883 [0,0,1,0,0,0|2,0,0]=3 87 B15R2.131 CCC(c1ccccc1)C2CCCN2 Amb9713454 [0,0,1,0,0,0|2,0,0]=3 88 B15R2.131 CCC(c1ccccc1)C2CCNC2 Amb28367216 [0,0,1,0,0,0|2,0,0]=3 89 B15R2.131 CCC(c1ccccc1)N2CCCC2 Amb24063854 [0,0,1,0,0,0|2,0,0]=3 90 B15R2.131 CNC(c1ccccc1)C2CCCO2 Amb9341578 [0,0,1,0,0,0|3,0,0]=4 91 B15R2.131 CNC(c1ccccc1)C2CCCS2 Amb28428296 [0,0,1,0,0,0|3,0,0]=4 92 B15R2.131 CNC(c1ccccn1)C2CCCC2 Amb18968321 [0,0,1,0,0,0|3,0,0]=4 93 B15R2.131 CNC(c1cccnc1)C2CCCC2 Amb18968326 [0,0,1,0,0,0|3,0,0]=4 94 B15R2.131 CNC(c1ccncc1)C2CCCC2 Amb18968332 [0,0,1,0,0,0|3,0,0]=4 95 B15R2.131 ClCC(c1ccccc1)C2CCCC2 Amb17240142 [0,0,1,0,0,0|1,0,0]=2 96 B15R2.131 ClCC(c1ccccc1)C2CCSC2 Amb35704962 [0,0,1,0,0,0|2,0,0]=3 97 B15R2.131 ClCC(c1ccccc1)N2CCCC2 Amb17240484 [0,0,1,0,0,0|2,0,0]=3 98 B15R2.131 ClCC(c1cccnc1)N2CCCC2 Amb17240795 [0,0,1,0,0,0|3,0,0]=4 99 B15R2.131 N#CC(c1ccccc1)C2CCCC2 Amb1094550 [0,0,1,0,0,0|0,0,2]=3 100 B15R2.131 N#CC(c1ccccc1)C2CCCN2 Amb20623337 [0,0,1,0,0,0|1,0,2]=4 101 B15R2.131 N#CC(c1ccccc1)C2CCCN2 Amb24395642 [0,0,1,0,0,0|1,0,2]=4 102 B15R2.131 N#CC(c1ccccc1)N2CCCC2 Amb22736588 [0,0,1,0,0,0|1,0,2]=4 103 B15R2.131 N#CC(c1ccccc1)N2CCCC2 Amb5756477 [0,0,1,0,0,0|1,0,2]=4 104 B15R2.131 NCC(c1ccccc1)C2CCCC2 Amb6353780 [0,0,1,0,0,0|0,0,0]=1 105 B15R2.131 NCC(c1ccccc1)C2CCOC2 Amb28044217 [0,0,1,0,0,0|1,0,0]=2 106 B15R2.131 NCC(c1ccccc1)N2CCCC2 Amb10808439 [0,0,1,0,0,0|1,0,0]=2 107 B15R2.131 NCC(c1ccccc1)N2CCCC2 Amb1486161 [0,0,1,0,0,0|1,0,0]=2 108 B15R2.131 NCC(c1ccccc1)N2CCCO2 Amb27875974 [0,0,1,0,0,0|2,0,0]=3 109 B15R2.131 NCC(c1cccnc1)N2CCCC2 Amb1141786 [0,0,1,0,0,0|2,0,0]=3 110 B15R2.131 NCC(c1ccncc1)C2CCCC2 Amb28249302 [0,0,1,0,0,0|1,0,0]=2 111 B15R2.131 NCC(c1ccncc1)N2CCCC2 Amb8010511 [0,0,1,0,0,0|2,0,0]=3 112 B15R2.131 NCC(c1cncnc1)N2CCCC2 Amb18190553 [0,0,1,0,0,0|3,0,0]=4 113 B15R2.131 NNC(c1ccccc1)C2CCCO2 Amb27469444 [0,0,1,0,0,0|2,0,0]=3 114 B15R2.131 NNC(c1ccccc1)C2CCOC2 Amb27882491 [0,0,1,0,0,0|2,0,0]=3 115 B15R2.131 NNC(c1cccnc1)C2CCCC2 Amb28058798 [0,0,1,0,0,0|2,0,0]=3 116 B15R2.131 NNC(c1cccnc1)C2CCOC2 Amb28072749 [0,0,1,0,0,0|3,0,0]=4 117 B15R2.131 NNC(c1ccncc1)C2CCCC2 Amb27619040 [0,0,1,0,0,0|2,0,0]=3 118 B15R2.131 NNC(c1ccncn1)C2CCCC2 Amb27168824 [0,0,1,0,0,0|3,0,0]=4 119 B15R2.131 O=CC(c1ccccc1)C2CCCC2 Amb27862146 [0,0,1,0,0,0|1,0,1]=3 120 B15R2.131 O=CC(c1ccccc1)N2CCCC2 Amb28144029 [0,0,1,0,0,0|2,0,1]=4 121 B15R2.131 O=C[C@@H](c1ccccc1)C2CCCC2 Amb27589820 [0,0,1,0,0,0|1,0,1]=3 122 B15R2.131 OCC(c1ccccc1)C2CCCC2 Amb3939481 [0,0,1,0,0,0|1,0,0]=2 123 B15R2.131 OCC(c1ccccc1)C2CCNC2 Amb27830492 [0,0,1,0,0,0|2,0,0]=3 124 B15R2.131 OCC(c1ccccc1)C2CCSC2 Amb30013240 [0,0,1,0,0,0|2,0,0]=3 125 B15R2.131 OCC(c1ccccc1)N2CCCC2 Amb17235105 [0,0,1,0,0,0|2,0,0]=3 126 B15R2.131 OCC(c1cccnc1)N2CCCC2 Amb17235445 [0,0,1,0,0,0|3,0,0]=4 127 B15R2.131 OC[C@@H](c1ccccc1)C2CCCC2 Amb27756442 [0,0,1,0,0,0|1,0,0]=2 128 B15R2.131 O\N=C(\c1ccccc1)C2CCCC2 Amb24749408 [0,0,1,0,0,0|2,0,1]=4 129 B15R2.395 C=C(c1ccccc1)C2CCCC2O Amb27598451 [0,0,1,0,0,0|1,0,2]=4 130 B15R2.395 CC(c1ccccc1)C2NCCC2O Amb18818136 [0,0,1,0,0,0|2,0,0]=3 131 B15R2.395 CC(c1ccccc1)C2OCCC2N Amb28460986 [0,0,1,0,0,0|1,0,0]=2 132 B15R2.395 CC1CCCC1C(Br)c2ccccc2 Amb27238343 [0,0,1,0,0,0|2,0,0]=3 133 B15R2.395 CC1CCOC1C(Cl)c2ccccc2 Amb27229701 [0,0,1,0,0,0|3,0,0]=4 134 B15R2.395 CC1CCOC1C(N)c2ccccc2 Amb28254343 [0,0,1,0,0,0|3,0,0]=4 135 B15R2.395 CC1CNCC1C(O)c2ccccc2 Amb29875023 [0,0,1,0,0,0|3,0,0]=4 136 B15R2.395 CC1NCCC1C(O)c2ccccc2 Amb35584697 [0,0,1,0,0,0|3,0,0]=4 137 B15R2.395 CN(c1ccccc1)C2CCCC2N Amb1125388 [0,0,1,0,0,0|1,0,0]=2 138 B15R2.395 CN(c1ccccc1)[C@@H]2CCC[C@H]2Cl Amb27218520 [0,0,1,0,0,0|2,0,0]=3 139 B15R2.395 CN(c1ccccn1)C2CCCC2O Amb33609583 [0,0,1,0,0,0|3,0,0]=4 140 B15R2.395 CN1CCCC1C(N)c2ccccc2 Amb28184051 [0,0,1,0,0,0|3,0,0]=4 141 B15R2.395 CN1CCC[C@H]1[C@H](O)c2ccccc2 Amb27635220 [0,0,1,0,0,0|3,0,0]=4 142 B15R2.395 C[C@H](c1ccccc1)N2CCCC2=O Amb27589015 [0,0,1,0,0,0|2,0,1]=4 143 B15R2.395 C\C(=C1\CCCC1O)c2ccccc2 Amb27594757 [0,0,1,0,0,0|1,0,2]=4 144 B15R2.395 NC(c1ccccc1)[C@@H]2CCC[C@@H]2O Amb28051773 [0,0,1,0,0,0|2,0,0]=3 145 B15R2.395 NC1CCCC1C(O)c2cccnc2 Amb18817113 [0,0,1,0,0,0|2,0,0]=3 146 B15R2.395 NC1CCCC1C(O)c2cnccn2 Amb35582184 [0,0,1,0,0,0|3,0,0]=4 147 B15R2.395 NC1CCCC1C(O)c2cncnc2 Amb35622554 [0,0,1,0,0,0|3,0,0]=4 148 B15R2.395 NC1COCC1C(O)c2ccccc2 Amb35586830 [0,0,1,0,0,0|2,0,0]=3 149 B15R2.395 NC1COCC1C(O)c2cccnc2 Amb35625431 [0,0,1,0,0,0|3,0,0]=4 150 B15R2.395 NN1CCC[C@H]1[C@@H](O)c2ccccc2 Amb27457671 [0,0,1,0,0,0|2,0,0]=3 151 B15R2.395 N[C@@H]1CCC[C@@H]1C(=O)c2ccccc2 Amb35662734 [0,0,1,0,0,0|1,0,1]=3 152 B15R2.395 N[C@@H]1CCC[C@@H]1C(=O)c2cccnc2 Amb35662735 [0,0,1,0,0,0|2,0,1]=4 153 B15R2.395 N[C@@H]1CCC[C@@H]1C(O)c2ccccc2 Amb30039516 [0,0,1,0,0,0|1,0,0]=2 154 B15R2.395 N[C@@H]1CCC[C@@H]1C(O)c2cccnc2 Amb30039508 [0,0,1,0,0,0|2,0,0]=3 155 B15R2.395 N[C@@H]1CCC[C@@H]1C(O)c2cnccn2 Amb29892133 [0,0,1,0,0,0|3,0,0]=4 156 B15R2.395 N[C@@H]1CCC[C@@H]1C(O)c2cncnc2 Amb30039532 [0,0,1,0,0,0|3,0,0]=4 157 B15R2.395 N[C@@H]1COC[C@H]1C(=O)c2ccccc2 Amb33457243 [0,0,1,0,0,0|2,0,1]=4 158 B15R2.395 N[C@@H]1COC[C@H]1C(=O)c2ccccc2 Amb33457244 [0,0,1,0,0,0|2,0,1]=4 159 B15R2.395 O=C(c1ccccc1)C2CCCC2Cl Amb28428610 [0,0,1,0,0,0|2,0,1]=4 160 B15R2.395 O=C(c1ccccc1)[C@@H]2CCC[C@@H]2Cl Amb27428014 [0,0,1,0,0,0|2,0,1]=4 161 B15R2.395 O=C(c1ccccc1)[C@@H]2CCC[C@@H]2O Amb28053472 [0,0,1,0,0,0|2,0,1]=4 162 B15R2.395 OC1OCCC1C(O)c2ccccc2 Amb27833733 [0,0,1,0,0,0|3,0,0]=4 163 B15R2.395 O[C@H](c1ccccc1)[C@@H]2CCC[C@H]2O Amb28455600 [0,0,1,0,0,0|2,0,0]=3 164 B15R2.2169 c1ccc(C2CCCCCCN2)cc1 Amb26055992 [0,0,1,0,0,0|2,0,0]=3 165 B15R2.2169 c1ccc(C2CCCCCCN2)cc1 Amb33328757 [0,0,1,0,0,0|2,0,0]=3 166 B15R2.2196 C(/CCc1ccccc1)=C2/CCNC2 Amb31134942 [0,0,1,0,0,0|2,0,1]=4 167 B15R2.2196 c1cc(CNCC2CCCC2)ccn1 Amb8952715 [0,0,1,0,0,0|3,0,0]=4 168 B15R2.2196 c1cc(NCCC2CCCC2)ccn1 Amb19005804 [0,0,1,0,0,0|3,0,0]=4 169 B15R2.2196 c1ccc(CCCC2CCCN2)cc1 Amb3788434 [0,0,1,0,0,0|2,0,0]=3 170 B15R2.2196 c1ccc(CCCC2CCNC2)cc1 Amb21959199 [0,0,1,0,0,0|2,0,0]=3 171 B15R2.2196 c1ccc(CCCC2OCCO2)cc1 Amb27988562 [0,0,1,0,0,0|3,0,0]=4 172 B15R2.2196 c1ccc(CCNC2=NCCS2)cc1 Amb1103979 [0,0,1,0,0,0|2,0,1]=4 173 B15R2.2196 c1ccc(CCNC2CCCC2)cc1 Amb2097978 [0,0,1,0,0,0|0,0,0]=1 174 B15R2.2196 c1ccc(CCNC2CCCC2)cc1 Amb6695463 [0,0,1,0,0,0|0,0,0]=1 175 B15R2.2196 c1ccc(CCNC2CCOC2)cc1 Amb20667617 [0,0,1,0,0,0|1,0,0]=2 176 B15R2.2196 c1ccc(CCNC2CCOC2)cc1 Amb22059244 [0,0,1,0,0,0|1,0,0]=2 177 B15R2.2196 c1ccc(CCNC2CCSC2)nc1 Amb6694366 [0,0,1,0,0,0|2,0,0]=3 178 B15R2.2196 c1ccc(CCOC2CCNC2)cc1 Amb19073404 [0,0,1,0,0,0|2,0,0]=3 179 B15R2.2196 c1ccc(CNCC2CCCC2)cc1 Amb8952618 [0,0,1,0,0,0|2,0,0]=3 180 B15R2.2196 c1ccc(CNCC2CCCC2)nc1 Amb8952726 [0,0,1,0,0,0|3,0,0]=4 181 B15R2.2196 c1ccc(CNCC2CCCN2)cc1 Amb2237194 [0,0,1,0,0,0|3,0,0]=4 182 B15R2.2196 c1ccc(CNCC2CCCO2)cc1 Amb6537911 [0,0,1,0,0,0|3,0,0]=4 183 B15R2.2196 c1ccc(CNCC2CCCO2)cc1 Amb9751763 [0,0,1,0,0,0|3,0,0]=4 184 B15R2.2196 c1ccc(CNCC2CCNC2)cc1 Amb19036329 [0,0,1,0,0,0|3,0,0]=4 185 B15R2.2196 c1ccc(CNCC2CCOC2)cc1 Amb32410100 [0,0,1,0,0,0|3,0,0]=4 186 B15R2.2196 c1ccc(CNC[C@@H]2CCCN2)cc1 Amb27202300 [0,0,1,0,0,0|3,0,0]=4 187 B15R2.2196 c1ccc(CNC[C@@H]2CCCO2)cc1 Amb27173145 [0,0,1,0,0,0|3,0,0]=4 188 B15R2.2196 c1ccc(CNC[C@@H]2CCNC2)cc1 Amb28348250 [0,0,1,0,0,0|3,0,0]=4 189 B15R2.2196 c1ccc(CNC[C@H]2CCCN2)cc1 Amb27393160 [0,0,1,0,0,0|3,0,0]=4 190 B15R2.2196 c1ccc(CNC[C@H]2CCNC2)cc1 Amb27386674 [0,0,1,0,0,0|3,0,0]=4 191 B15R2.2196 c1ccc(COCC2CCCN2)cc1 Amb2235511 [0,0,1,0,0,0|3,0,0]=4 192 B15R2.2196 c1ccc(COCC2CCNC2)cc1 Amb19021967 [0,0,1,0,0,0|3,0,0]=4 193 B15R2.2196 c1ccc(COC[C@@H]2CCCN2)cc1 Amb17061752 [0,0,1,0,0,0|3,0,0]=4 194 B15R2.2196 c1ccc(COC[C@H]2CCCN2)cc1 Amb27746859 [0,0,1,0,0,0|3,0,0]=4 195 B15R2.2196 c1ccc(CONC2CCCC2)cc1 Amb27213650 [0,0,1,0,0,0|1,0,0]=2 196 B15R2.2196 c1ccc(CONC2CCSC2)cc1 Amb27213077 [0,0,1,0,0,0|2,0,0]=3 197 B15R2.2196 c1ccc(CSCC2CCCN2)cc1 Amb4134994 [0,0,1,0,0,0|3,0,0]=4 198 B15R2.2196 c1ccc(NCCC2CCCN2)cc1 Amb19015267 [0,0,1,0,0,0|3,0,0]=4 199 B15R2.2196 c1ccc(NCCC2CCCO2)cc1 Amb28288673 [0,0,1,0,0,0|3,0,0]=4 200 B15R2.2196 c1ccc(NCCC2CCNC2)cc1 Amb27813924 [0,0,1,0,0,0|3,0,0]=4 201 B15R2.2196 c1ccc(NCCN2CCCC2)cc1 Amb7173350 [0,0,1,0,0,0|3,0,0]=4 202 B15R2.2196 c1ccc(NCC[C@@H]2CCNC2)cc1 Amb35674883 [0,0,1,0,0,0|3,0,0]=4 203 B15R2.2196 c1ccc(NCC[C@H]2CCNC2)cc1 Amb35581035 [0,0,1,0,0,0|3,0,0]=4 204 B15R2.2196 c1ccc(OCCC2CCCN2)cc1 Amb17401562 [0,0,1,0,0,0|3,0,0]=4 205 B15R2.2196 c1ccc(OCCC2CCNC2)cc1 Amb21959194 [0,0,1,0,0,0|3,0,0]=4 206 B15R2.2196 c1ccc(OCCN2CCCC2)cc1 Amb8512941 [0,0,1,0,0,0|3,0,0]=4 207 B15R2.2196 c1cnc(CCNC2CCCC2)nc1 Amb33495856 [0,0,1,0,0,0|2,0,0]=3 208 B15R2.2196 c1cncc(CCNC2=NCCC2)c1 Amb28146640 [0,0,1,0,0,0|2,0,1]=4 209 B15R2.2196 c1cncc(CNCC2CCCC2)c1 Amb8952724 [0,0,1,0,0,0|3,0,0]=4 210 B15R2.2349 CC1OCC(c2ccccc2)C1C=O Amb32416875 [0,0,1,0,0,0|2,0,1]=4 211 B15R2.2349 CN1CCC(c2ccccc2)C1CO Amb27775396 [0,0,1,0,0,0|3,0,0]=4 212 B15R2.2349 CN[C@H]1C(=O)NC[C@H]1c2ccccc2 Amb28135455 [0,0,1,0,0,0|2,0,1]=4 213 B15R2.4808 CN1C(CO)CCC1c2ccccc2 Amb27665302 [0,0,1,0,0,0|3,0,0]=4 214 B15R2.4808 OCC1OCC(c2ccccc2)C1O Amb27773004 [0,0,1,0,0,0|3,0,0]=4 215 B15R2.4808 OC[C@@H]1NC[C@H](c2ccccc2)[C@H]1O Amb28319380 [0,0,1,0,0,0|2,0,0]=3 216 B15R3.1712 c1ccn(C2CCN3CCCC23)c1 Amb18795851 [0,0,0,0,1,0|3,0,0]=4 217 B15R3.1722 c1cc(C2CC3CNCC32)ccn1 Amb33716178 [0,0,0,0,1,0|2,0,0]=3 218 B15R3.1722 c1ccc(C2CC3CNCC32)cc1 Amb24489106 [0,0,0,0,1,0|1,0,0]=2 219 B15R3.1722 c1ccc(C2CC3CNCC32)cc1 Amb32668919 [0,0,0,0,1,0|1,0,0]=2 220 B15R3.1722 c1ccc([C@H]2C[C@@H]3CNC[C@@H]32)cc1 Amb27194327 [0,0,0,0,1,0|1,0,0]=2 221 B15R3.1722 c1ccc([C@H]2C[C@@H]3CNC[C@@H]32)cc1 Amb28723440 [0,0,0,0,1,0|1,0,0]=2 222 B15R3.1722 c1cncc(C2CC3CNCC32)c1 Amb27790921 [0,0,0,0,1,0|2,0,0]=3 223 B15R3.1722 c1cncc(N2CC3CNCC32)c1 Amb27791846 [0,0,0,0,1,0|3,0,0]=4 224 B17R3.8 c1ccc(C2CNC3=C2CCCC3)cc1 Amb17595290 [0,0,0,0,0,1|0,0,2]=3 225 B17R3.8 c1ccc(C2CNC3CCCCC32)cc1 Amb9783189 [0,0,0,0,0,1|0,0,0]=1 226 B17R3.8 c1ccc(C2CNC3CCOCC32)cc1 Amb32652113 [0,0,0,0,0,1|0,0,0]=1 227 B17R3.1941 c1ccc(C2CCC3NCCC3C2)cc1 Amb32794580 [0,0,0,0,0,1|2,0,0]=3 228 B17R3.1941 c1ccc(C2CC[C@@H]3CNC[C@@H]3C2)cc1 Amb18787330 [0,0,0,0,0,1|2,0,0]=3 229 B17R3.1941 c1ccc(C2CN3CCCC3CN2)cc1 Amb17578976 [0,0,0,0,0,1|3,0,0]=4 230 B17R3.1941 c1ccc(C2CNC3=NCCN3C2)cc1 Amb32714282 [0,0,0,0,0,1|2,0,1]=4 231 B17R3.8707 c1cc(C2CNC[C@H]3CCCN23)ccn1 Amb18785276 [0,0,0,0,0,1|2,0,0]=3 232 B17R3.8707 c1ccc(C2CCNC3=NCCN32)cc1 Amb32714337 [0,0,0,0,0,1|2,0,1]=4 233 B17R3.8707 c1ccc(C2CNCC3CCCN32)cc1 Amb18786353 [0,0,0,0,0,1|1,0,0]=2 234 B17R3.8707 c1ccc(C2CNC[C@H]3CCCN23)nc1 Amb18176795 [0,0,0,0,0,1|2,0,0]=3 235 B17R3.8707 c1ccc(C2NCCN3CCCC23)cc1 Amb18176926 [0,0,0,0,0,1|2,0,0]=3 236 B17R3.8707 c1cncc(C2CNC[C@H]3CCCN23)c1 Amb18785275 [0,0,0,0,0,1|2,0,0]=3 237 B17R3.8759 c1ccc(CN2CCC3CCCC32)cc1 Amb28191473 [0,0,0,0,0,1|2,0,0]=3 238 B17R3.8759 c1ccc(CN2CCC3CCNC32)cc1 Amb24592646 [0,0,0,0,0,1|3,0,0]=4 239 B17R3.8759 c1ccc(CN2CCC3CNCC32)cc1 Amb15691963 [0,0,0,0,0,1|3,0,0]=4 240 B17R3.8759 c1ccc(CN2CCC3CNCC32)cc1 Amb29083395 [0,0,0,0,0,1|3,0,0]=4 241 B17R3.8759 c1ccc(CN2CCC3NCCC32)cc1 Amb27257941 [0,0,0,0,0,1|3,0,0]=4 242 B17R3.8759 c1ccc(CN2CC[C@@H]3CNC[C@@H]32)cc1 Amb26403157 [0,0,0,0,0,1|3,0,0]=4 243 B17R3.8759 c1ccc(CN2CC[C@@H]3CNC[C@H]32)cc1 Amb18786340 [0,0,0,0,0,1|3,0,0]=4 244 B17R3.8759 c1ccc(CN2CC[C@@H]3NCC[C@@H]32)cc1 Amb27220518 [0,0,0,0,0,1|3,0,0]=4 245 B17R3.8759 c1ccc(CN2CC[C@H]3CNC[C@@H]32)cc1 Amb27206599 [0,0,0,0,0,1|3,0,0]=4 246 B17R3.8759 c1ccc(CN2CC[C@H]3CNC[C@H]32)cc1 Amb6893197 [0,0,0,0,0,1|3,0,0]=4 247 B17R3.8759 c1cncc(O[C@H]2CC[C@@H]3CNC[C@@H]32)c1 Amb30530495 [0,0,0,0,0,1|3,0,0]=4 248 B14R2.8 BrCC1CC(c2ccccc2)CO1 Amb27751749 [1,0,1,0,0,0|2,0,0]=4 249 B14R2.8 BrCC1CCC(c2ccccc2)C1 Amb25118230 [1,0,1,0,0,0|2,0,0]=4 250 B14R2.8 BrC[C@H]1CC[C@H](c2ccccc2)C1 Amb32663664 [1,0,1,0,0,0|2,0,0]=4 251 B14R2.8 CCC1NCC(c2ccccc2)O1 Amb28054826 [1,0,1,0,0,0|1,0,0]=3 252 B14R2.8 CCC1OCC(c2ccccc2)O1 Amb4036253 [1,0,1,0,0,0|2,0,0]=4 253 B14R2.8 CNC1CC(c2ccccc2)CN1 Amb27407842 [1,0,1,0,0,0|1,0,0]=3 254 B14R2.8 CNC1CCC(c2ccccc2)C1 Amb18065568 [1,0,1,0,0,0|2,0,0]=4 255 B14R2.8 ClCC1NCC(c2ccccc2)O1 Amb27179150 [1,0,1,0,0,0|2,0,0]=4 256 B14R2.8 NCC1CC(c2ccccc2)CO1 Amb32665180 [1,0,1,0,0,0|2,0,0]=4 257 B14R2.8 NCC1CCC(c2ccccc2)C1 Amb18065570 [1,0,1,0,0,0|2,0,0]=4 258 B14R2.8 NC[C@@H]1C[C@@H](c2ccccc2)CO1 Amb32665182 [1,0,1,0,0,0|2,0,0]=4 259 B14R2.8 NC[C@@H]1C[C@H](c2ccccc2)CO1 Amb32665181 [1,0,1,0,0,0|2,0,0]=4 260 B14R2.8 OCC1CCC(c2ccccc2)C1 Amb27415089 [1,0,1,0,0,0|2,0,0]=4 261 B14R2.8 OC[C@@H]1CC[C@@H](c2ccccc2)C1 Amb26389433 [1,0,1,0,0,0|2,0,0]=4 262 B14R2.8 OC[C@H]1C[C@@H](c2ccccc2)CN1 Amb27433898 [1,0,1,0,0,0|1,0,0]=3 263 B14R2.8 OC[C@H]1C[C@H](c2ccccc2)CO1 Amb27448783 [1,0,1,0,0,0|2,0,0]=4 264 B14R2.14 CCC1CCNC1c2ccccc2 Amb3788233 [1,0,1,0,0,0|2,0,0]=4 265 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [1,0,1,0,0,0|0,0,0]=2 266 B14R2.14 CC[C@@H]1CCN[C@H]1c2ccccc2 Amb27437908 [1,0,1,0,0,0|2,0,0]=4 267 B14R2.14 CC[C@H]1CCN[C@H]1c2ccccc2 Amb27623237 [1,0,1,0,0,0|2,0,0]=4 268 B14R2.14 CNC1CCCC1c2ccccc2 Amb18286605 [1,0,1,0,0,0|2,0,0]=4 269 B14R2.14 CNC1COCC1c2ccccc2 Amb35635689 [1,0,1,0,0,0|2,0,0]=4 270 B14R2.14 CN[C@@H]1CCC[C@H]1c2ccccc2 Amb27944980 [1,0,1,0,0,0|2,0,0]=4 271 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb27419896 [1,0,1,0,0,0|1,0,0]=3 272 B14R2.14 ClCC1CCCC1c2ccccc2 Amb27816406 [1,0,1,0,0,0|2,0,0]=4 273 B14R2.14 N#CC1CNCC1c2ccccc2 Amb23597889 [1,0,1,0,0,0|1,0,1]=4 274 B14R2.14 N#CC1CNCC1c2ccccc2 Amb32661064 [1,0,1,0,0,0|1,0,1]=4 275 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb25175728 [1,0,1,0,0,0|1,0,1]=4 276 B14R2.14 N#C[C@@H]1CNC[C@H]1c2ccccc2 Amb26838387 [1,0,1,0,0,0|1,0,1]=4 277 B14R2.14 NCC1CCCC1c2ccccc2 Amb26980483 [1,0,1,0,0,0|2,0,0]=4 278 B14R2.14 NCC1CCCC1c2ccccc2 Amb28556058 [1,0,1,0,0,0|2,0,0]=4 279 B14R2.14 NCC1COCC1c2ccccc2 Amb27624694 [1,0,1,0,0,0|2,0,0]=4 280 B14R2.14 OCC1CNCC1c2ccccc2 Amb9781840 [1,0,1,0,0,0|1,0,0]=3 281 B14R2.14 OCC1CNCC1c2ccccn2 Amb27596998 [1,0,1,0,0,0|2,0,0]=4 282 B14R2.14 OC[C@@H]1CCC[C@H]1c2ccccc2 Amb27844164 [1,0,1,0,0,0|2,0,0]=4 283 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb22756588 [1,0,1,0,0,0|1,0,0]=3 284 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb35789802 [1,0,1,0,0,0|1,0,0]=3 285 B14R2.14 OC[C@H]1CNC[C@@H]1c2ccccc2 Amb26588980 [1,0,1,0,0,0|1,0,0]=3 286 B14R2.14 OC[C@H]1CNC[C@@H]1c2ccccn2 Amb27422097 [1,0,1,0,0,0|2,0,0]=4 287 B14R2.14 OC[C@H]1CNC[C@H]1c2ccccc2 Amb27964542 [1,0,1,0,0,0|1,0,0]=3 288 B14R2.30 BrC1CCCC1Cc2cccnc2 Amb27607039 [1,0,1,0,0,0|2,0,0]=4 289 B14R2.30 BrC1CCCC1Cc2ccncc2 Amb27832072 [1,0,1,0,0,0|2,0,0]=4 290 B14R2.30 BrC1COCC1Cc2ccccc2 Amb29877885 [1,0,1,0,0,0|2,0,0]=4 291 B14R2.30 CC1CCCC1Nc2ccccc2 Amb27470643 [1,0,1,0,0,0|1,0,0]=3 292 B14R2.30 CC1CCCC1Nc2ccccn2 Amb27272983 [1,0,1,0,0,0|2,0,0]=4 293 B14R2.30 CC1CCCC1Nc2ccncc2 Amb27221797 [1,0,1,0,0,0|2,0,0]=4 294 B14R2.30 CC1CCCN1Cc2ccccc2 Amb27771867 [1,0,1,0,0,0|1,0,0]=3 295 B14R2.30 CC1CCCN1Cc2ccccn2 Amb28400555 [1,0,1,0,0,0|2,0,0]=4 296 B14R2.30 CC1CCCN1Cc2cccnc2 Amb28349573 [1,0,1,0,0,0|2,0,0]=4 297 B14R2.30 CC1CCN[C@H]1Cc2ccccc2 Amb27947239 [1,0,1,0,0,0|1,0,0]=3 298 B14R2.30 CC1CNCC1Cc2ccccc2 Amb28056531 [1,0,1,0,0,0|1,0,0]=3 299 B14R2.30 CC1COCC1Nc2ccccc2 Amb35590885 [1,0,1,0,0,0|2,0,0]=4 300 B14R2.30 CC1CSCC1Nc2ccccc2 Amb27872676 [1,0,1,0,0,0|2,0,0]=4 301 B14R2.30 CC1NCCC1Cc2ccccc2 Amb18960801 [1,0,1,0,0,0|1,0,0]=3 302 B14R2.30 CC1OCCC1Nc2ccccc2 Amb28242101 [1,0,1,0,0,0|2,0,0]=4 303 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [1,0,1,0,0,0|1,0,0]=3 304 B14R2.30 C[C@@H]1CNC[C@H]1Cc2ccccc2 Amb33191275 [1,0,1,0,0,0|1,0,0]=3 305 B14R2.30 C[C@H]1CCN[C@@H]1Cc2ccccc2 Amb27624379 [1,0,1,0,0,0|1,0,0]=3 306 B14R2.30 ClC1CCCC1Cc2ccncc2 Amb27181063 [1,0,1,0,0,0|2,0,0]=4 307 B14R2.30 ClC1CCCC1Oc2ccccc2 Amb28040809 [1,0,1,0,0,0|2,0,0]=4 308 B14R2.30 ClC1COCC1Cc2ccccc2 Amb29877819 [1,0,1,0,0,0|2,0,0]=4 309 B14R2.30 Cl[C@@H]1CCC[C@@H]1Sc2ccccc2 Amb27219497 [1,0,1,0,0,0|2,0,0]=4 310 B14R2.30 Cl[C@@H]1CCC[C@H]1Sc2ccccc2 Amb27219834 [1,0,1,0,0,0|2,0,0]=4 311 B14R2.30 Cl[C@H]1CCC[C@@H]1Sc2ccccc2 Amb28053491 [1,0,1,0,0,0|2,0,0]=4 312 B14R2.30 FC1CCNC1Cc2ccccc2 Amb27224993 [1,0,1,0,0,0|2,0,0]=4 313 B14R2.30 F[C@@H]1CNC[C@@H]1Cc2ccccc2 Amb33069652 [1,0,1,0,0,0|2,0,0]=4 314 B14R2.30 F[C@@H]1CNC[C@@H]1Cc2ccccc2 Amb33069653 [1,0,1,0,0,0|2,0,0]=4 315 B14R2.30 NC1CCCC1Cc2ccccc2 Amb18284144 [1,0,1,0,0,0|0,0,0]=2 316 B14R2.30 NC1CCCC1Cc2ccccn2 Amb33548687 [1,0,1,0,0,0|1,0,0]=3 317 B14R2.30 NC1CCCC1Cc2cccnc2 Amb18196515 [1,0,1,0,0,0|1,0,0]=3 318 B14R2.30 NC1CCCC1Cc2ccncc2 Amb18196514 [1,0,1,0,0,0|1,0,0]=3 319 B14R2.30 NC1CCCC1Nc2ccccc2 Amb23590780 [1,0,1,0,0,0|1,0,0]=3 320 B14R2.30 NC1CCCC1Oc2ccccc2 Amb1130186 [1,0,1,0,0,0|1,0,0]=3 321 B14R2.30 NC1CCCC1Oc2ccccc2 Amb19341661 [1,0,1,0,0,0|1,0,0]=3 322 B14R2.30 NC1CCCC1Oc2ccncc2 Amb27605587 [1,0,1,0,0,0|2,0,0]=4 323 B14R2.30 NC1CCCC1Sc2ccccn2 Amb28249840 [1,0,1,0,0,0|2,0,0]=4 324 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [1,0,1,0,0,0|1,0,0]=3 325 B14R2.30 NC1CCOC1Cc2ccccc2 Amb28349412 [1,0,1,0,0,0|1,0,0]=3 326 B14R2.30 NC1COCC1Cc2ccccc2 Amb29866236 [1,0,1,0,0,0|1,0,0]=3 327 B14R2.30 NC1COCC1Cc2ccccn2 Amb35608385 [1,0,1,0,0,0|2,0,0]=4 328 B14R2.30 NC1COCC1Cc2cccnc2 Amb35608412 [1,0,1,0,0,0|2,0,0]=4 329 B14R2.30 NC1COCC1Cc2ccncc2 Amb35608384 [1,0,1,0,0,0|2,0,0]=4 330 B14R2.30 NN1CCCC1Cc2ccccc2 Amb25135272 [1,0,1,0,0,0|1,0,0]=3 331 B14R2.30 N[C@@H]1CCC[C@@H]1Oc2ccccc2 Amb23536469 [1,0,1,0,0,0|1,0,0]=3 332 B14R2.30 N[C@@H]1CNC[C@@H]1Cc2ccccc2 Amb32709351 [1,0,1,0,0,0|1,0,0]=3 333 B14R2.30 N[C@H]1CCC[C@H]1Cc2ccccc2 Amb27244825 [1,0,1,0,0,0|0,0,0]=2 334 B14R2.30 N[C@H]1CNC[C@@H]1Cc2ccccc2 Amb27259451 [1,0,1,0,0,0|1,0,0]=3 335 B14R2.30 N[C@H]1CNC[C@H]1Cc2ccccc2 Amb27625093 [1,0,1,0,0,0|1,0,0]=3 336 B14R2.30 O=C1CCCC1Cc2ccccc2 Amb3994669 [1,0,1,0,0,0|1,0,1]=4 337 B14R2.30 OC1CCCC1Cc2ccccc2 Amb18808902 [1,0,1,0,0,0|1,0,0]=3 338 B14R2.30 OC1CCCC1Cc2ccccn2 Amb26968273 [1,0,1,0,0,0|2,0,0]=4 339 B14R2.30 OC1CCCC1Cc2cccnc2 Amb24672858 [1,0,1,0,0,0|2,0,0]=4 340 B14R2.30 OC1CCCC1Cc2ccncc2 Amb26333457 [1,0,1,0,0,0|2,0,0]=4 341 B14R2.30 OC1CCC[C@@H]1Cc2ccccc2 Amb27260244 [1,0,1,0,0,0|1,0,0]=3 342 B14R2.30 OC1CCNC1Cc2ccccc2 Amb32410236 [1,0,1,0,0,0|2,0,0]=4 343 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [1,0,1,0,0,0|2,0,0]=4 344 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [1,0,1,0,0,0|2,0,0]=4 345 B14R2.30 OC1CCOC1Cc2ccccc2 Amb27179516 [1,0,1,0,0,0|2,0,0]=4 346 B14R2.30 OC1CNCC1Cc2ccccc2 Amb26848016 [1,0,1,0,0,0|2,0,0]=4 347 B14R2.30 OC1COCC1Cc2ccccc2 Amb28061951 [1,0,1,0,0,0|2,0,0]=4 348 B14R2.30 OC1NCCC1Cc2ccccc2 Amb27650899 [1,0,1,0,0,0|2,0,0]=4 349 B14R2.30 OC1OCCC1Cc2ccccc2 Amb22752559 [1,0,1,0,0,0|2,0,0]=4 350 B14R2.30 O[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb27452089 [1,0,1,0,0,0|1,0,0]=3 351 B14R2.30 O[C@@H]1CCC[C@@H]1Sc2ccccc2 Amb27207356 [1,0,1,0,0,0|2,0,0]=4 352 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccccc2 Amb26905499 [1,0,1,0,0,0|1,0,0]=3 353 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccccn2 Amb32945202 [1,0,1,0,0,0|2,0,0]=4 354 B14R2.30 O[C@@H]1CCC[C@H]1Cc2cccnc2 Amb32944668 [1,0,1,0,0,0|2,0,0]=4 355 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccncc2 Amb33213814 [1,0,1,0,0,0|2,0,0]=4 356 B14R2.30 O[C@@H]1CCC[C@H]1Nc2ccccc2 Amb24726900 [1,0,1,0,0,0|2,0,0]=4 357 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 Amb25839231 [1,0,1,0,0,0|2,0,0]=4 358 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccccc2 Amb22747057 [1,0,1,0,0,0|2,0,0]=4 359 B14R2.30 O[C@@H]1CNC[C@H]1Cc2ccccc2 Amb32992315 [1,0,1,0,0,0|2,0,0]=4 360 B14R2.30 O[C@@H]1COC[C@H]1Cc2ccccc2 Amb26435152 [1,0,1,0,0,0|2,0,0]=4 361 B14R2.30 O[C@H]1CCC[C@@H]1Cc2ccccn2 Amb27880701 [1,0,1,0,0,0|2,0,0]=4 362 B14R2.30 O[C@H]1CCC[C@@H]1Oc2ccccc2 Amb27822942 [1,0,1,0,0,0|2,0,0]=4 363 B14R2.30 O[C@H]1CCC[C@@H]1Sc2ccccc2 Amb28248826 [1,0,1,0,0,0|2,0,0]=4 364 B14R2.30 O[C@H]1CCC[C@H]1Oc2ccccc2 Amb28286728 [1,0,1,0,0,0|2,0,0]=4 365 B14R2.30 O[C@H]1CCN[C@H]1Cc2ccccc2 Amb27966070 [1,0,1,0,0,0|2,0,0]=4 366 B14R2.30 O[C@H]1COC[C@@H]1Cc2ccccc2 Amb27431379 [1,0,1,0,0,0|2,0,0]=4 367 B14R2.114 C=C(c1ccccc1)C2CCCC2 Amb4035619 [1,0,1,0,0,0|0,0,2]=4 368 B14R2.114 CC(c1ccccc1)C2CCCN2 Amb23536676 [1,0,1,0,0,0|1,0,0]=3 369 B14R2.114 CC(c1ccccc1)C2CCNC2 Amb18197082 [1,0,1,0,0,0|1,0,0]=3 370 B14R2.114 CC(c1ccccc1)C2CCNC2 Amb33482692 [1,0,1,0,0,0|1,0,0]=3 371 B14R2.114 CC(c1ccccc1)C2NCCS2 Amb18321178 [1,0,1,0,0,0|2,0,0]=4 372 B14R2.114 CC(c1ccccc1)C2OCCO2 Amb575774 [1,0,1,0,0,0|2,0,0]=4 373 B14R2.114 CC(c1ccccc1)N2CCCO2 Amb28324710 [1,0,1,0,0,0|2,0,0]=4 374 B14R2.114 CC(c1cccnc1)C2CCNC2 Amb25703240 [1,0,1,0,0,0|2,0,0]=4 375 B14R2.114 CC(c1cccnc1)C2CCNC2 Amb32665252 [1,0,1,0,0,0|2,0,0]=4 376 B14R2.114 CC(c1ccncc1)C2CCNC2 Amb27593710 [1,0,1,0,0,0|2,0,0]=4 377 B14R2.114 CN(c1ccccc1)C2CCNC2 Amb25069354 [1,0,1,0,0,0|2,0,0]=4 378 B14R2.114 CN(c1ccccc1)C2CCNC2 Amb34158290 [1,0,1,0,0,0|2,0,0]=4 379 B14R2.114 FC(c1ccccc1)C2CCNC2 Amb28248712 [1,0,1,0,0,0|2,0,0]=4 380 B14R2.114 NC(c1ccccc1)C2CCCC2 Amb33548092 [1,0,1,0,0,0|0,0,0]=2 381 B14R2.114 NC(c1ccccc1)C2CCCC2 Amb9717938 [1,0,1,0,0,0|0,0,0]=2 382 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb10609099 [1,0,1,0,0,0|1,0,0]=3 383 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb9717761 [1,0,1,0,0,0|1,0,0]=3 384 B14R2.114 NC(c1ccccc1)C2CCNC2 Amb18196474 [1,0,1,0,0,0|1,0,0]=3 385 B14R2.114 NC(c1ccccc1)C2CCOC2 Amb18952434 [1,0,1,0,0,0|1,0,0]=3 386 B14R2.114 NC(c1ccccc1)C2CCOC2 Amb33291311 [1,0,1,0,0,0|1,0,0]=3 387 B14R2.114 NC(c1ccccc1)N2CCCC2 Amb27881547 [1,0,1,0,0,0|1,0,0]=3 388 B14R2.114 NC(c1ccccn1)C2CCCC2 Amb18281183 [1,0,1,0,0,0|1,0,0]=3 389 B14R2.114 NC(c1cccnc1)C2CCCC2 Amb18949709 [1,0,1,0,0,0|1,0,0]=3 390 B14R2.114 NC(c1cccnc1)C2CCCC2 Amb35745589 [1,0,1,0,0,0|1,0,0]=3 391 B14R2.114 NC(c1cccnc1)C2CCSC2 Amb27456822 [1,0,1,0,0,0|2,0,0]=4 392 B14R2.114 NC(c1ccncc1)C2CCOC2 Amb28043323 [1,0,1,0,0,0|2,0,0]=4 393 B14R2.114 NC(c1ccncn1)C2CCCC2 Amb27410230 [1,0,1,0,0,0|2,0,0]=4 394 B14R2.114 NC(c1ncccn1)C2CCCC2 Amb18281191 [1,0,1,0,0,0|2,0,0]=4 395 B14R2.114 N[C@@H](c1cccnc1)C2CCCC2 Amb27162206 [1,0,1,0,0,0|1,0,0]=3 396 B14R2.114 N[C@H](c1ccccc1)C2CCCC2 Amb27788456 [1,0,1,0,0,0|0,0,0]=2 397 B14R2.114 N[C@H](c1cnccn1)C2CCCC2 Amb27398143 [1,0,1,0,0,0|2,0,0]=4 398 B14R2.114 O=C(c1ccccc1)C2CCCC2 Amb2720859 [1,0,1,0,0,0|1,0,1]=4 399 B14R2.114 OC(c1ccccc1)C2CCCC2 Amb17138792 [1,0,1,0,0,0|1,0,0]=3 400 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb17138819 [1,0,1,0,0,0|2,0,0]=4 401 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb33545282 [1,0,1,0,0,0|2,0,0]=4 402 B14R2.114 OC(c1ccccc1)C2CCNC2 Amb27841619 [1,0,1,0,0,0|2,0,0]=4 403 B14R2.114 OC(c1ccccc1)C2CCOC2 Amb18790941 [1,0,1,0,0,0|2,0,0]=4 404 B14R2.114 OC(c1ccccc1)[C@@H]2CCCN2 Amb27608662 [1,0,1,0,0,0|2,0,0]=4 405 B14R2.114 OC(c1ccccc1)[C@@H]2CCNC2 Amb30039178 [1,0,1,0,0,0|2,0,0]=4 406 B14R2.114 OC(c1ccccc1)[C@H]2CCNC2 Amb35662315 [1,0,1,0,0,0|2,0,0]=4 407 B14R2.114 OC(c1cccnc1)C2CCCC2 Amb17233268 [1,0,1,0,0,0|2,0,0]=4 408 B14R2.114 OC(c1ccncc1)C2CCCC2 Amb18795916 [1,0,1,0,0,0|2,0,0]=4 409 B14R2.114 O[C@@H](c1ccccc1)[C@@H]2CCCN2 Amb27244166 [1,0,1,0,0,0|2,0,0]=4 410 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 Amb25238672 [1,0,1,0,0,0|2,0,0]=4 411 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 Amb32667633 [1,0,1,0,0,0|2,0,0]=4 412 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 Amb25294762 [1,0,1,0,0,0|2,0,0]=4 413 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 Amb32667652 [1,0,1,0,0,0|2,0,0]=4 414 B14R2.4514 CC1C(=O)NCC1c2ccccc2 Amb24312552 [1,0,1,0,0,0|1,0,1]=4 415 B14R2.4514 CC1C(Br)CCC1c2ccccc2 Amb28461113 [1,0,1,0,0,0|2,0,0]=4 416 B14R2.4514 CC1C(O)CCC1c2ccccc2 Amb27607035 [1,0,1,0,0,0|2,0,0]=4 417 B14R2.4514 CC1CNC(c2ccccc2)C1C Amb27620724 [1,0,1,0,0,0|2,0,0]=4 418 B14R2.4514 C[C@@H]1C(=O)NC[C@H]1c2ccccc2 Amb27197156 [1,0,1,0,0,0|1,0,1]=4 419 B14R2.4514 C[C@H]1[C@H](O)CC[C@H]1c2ccccc2 Amb28321346 [1,0,1,0,0,0|2,0,0]=4 420 B16R2.141 COC(=O)C1CC(c2ccccc2)CN1 Amb18655069 [0,1,1,0,0,0|1,0,1]=4 421 B16R2.150 NCCCN1CCC(c2ccccc2)C1 Amb2720691 [0,1,1,0,0,0|2,0,0]=4 422 B16R2.3806 COCC1CC(Br)C(c2ccccc2)C1 Amb35597636 [0,1,1,0,0,0|2,0,0]=4 423 B16R2.3806 COCC1CC(Cl)C(c2ccccc2)C1 Amb35667940 [0,1,1,0,0,0|2,0,0]=4 424 B16R2.99 CCCC1CNCC1c2ccc(Br)cc2 Amb32655563 [0,1,1,0,0,0|0,0,0]=2 425 B16R2.99 CCCC1CNCC1c2ccc(C)cc2 Amb32655570 [0,1,1,0,0,0|0,0,0]=2 426 B16R2.99 CCCC1CNCC1c2ccc(Cl)cc2 Amb32655565 [0,1,1,0,0,0|0,0,0]=2 427 B16R2.99 CCCC1CNCC1c2ccc(F)cc2 Amb32655545 [0,1,1,0,0,0|0,0,0]=2 428 B16R2.148 COC(=O)C1CNCC1c2ccccc2 Amb22586139 [0,1,1,0,0,0|1,0,1]=4 429 B16R2.148 COC(=O)C1CNCC1c2ccccc2 Amb2382881 [0,1,1,0,0,0|1,0,1]=4 430 B16R2.148 COC(=O)[C@@H]1CNC[C@@H]1c2ccccc2 Amb10068762 [0,1,1,0,0,0|1,0,1]=4 431 B16R2.148 COC(=O)[C@@H]1CNC[C@@H]1c2ccccc2 Amb28921020 [0,1,1,0,0,0|1,0,1]=4 432 B16R2.148 COC(=O)[C@@H]1CNC[C@H]1c2ccccc2 Amb32406099 [0,1,1,0,0,0|1,0,1]=4 433 B16R2.148 COC(=O)[C@@H]1CNC[C@H]1c2ccccc2 Amb33523721 [0,1,1,0,0,0|1,0,1]=4 434 B16R2.148 COC(=O)[C@H]1CNC[C@@H]1c2ccccc2 Amb10808429 [0,1,1,0,0,0|1,0,1]=4 435 B16R2.148 COC(=O)[C@H]1CNC[C@H]1c2ccccc2 Amb34140305 [0,1,1,0,0,0|1,0,1]=4 436 B16R2.161 CN(C)CC1CNCC1c2ccccc2 Amb32410142 [0,1,1,0,0,0|1,0,0]=3 437 B16R2.586 CCCN1CC[C@@H](N)[C@@H]1c2ccccc2 Amb32949403 [0,1,1,0,0,0|2,0,0]=4 438 B16R2.664 CCCC1CNCC1c2ccccc2Br Amb32655546 [0,1,1,0,0,0|0,0,0]=2 439 B16R2.664 CCCC1CNCC1c2ccccc2C Amb32655569 [0,1,1,0,0,0|0,0,0]=2 440 B16R2.664 CCCC1CNCC1c2ccccc2Cl Amb32655568 [0,1,1,0,0,0|0,0,0]=2 441 B16R2.664 CCCC1CNCC1c2ccccc2F Amb32655556 [0,1,1,0,0,0|0,0,0]=2 442 B16R2.2813 CCCC1CNCC1c2cccc(Br)c2 Amb32655547 [0,1,1,0,0,0|0,0,0]=2 443 B16R2.2813 CCCC1CNCC1c2cccc(C)c2 Amb32655506 [0,1,1,0,0,0|0,0,0]=2 444 B16R2.2813 CCCC1CNCC1c2cccc(Cl)c2 Amb32655564 [0,1,1,0,0,0|0,0,0]=2 445 B16R2.2813 CCCC1CNCC1c2cccc(F)c2 Amb32655567 [0,1,1,0,0,0|0,0,0]=2 446 B16R2.28 CCC1C(N)CCN1Cc2ccccc2 Amb18783762 [0,1,1,0,0,0|2,0,0]=4 447 B16R2.28 CCC1C(O)CCN1Cc2ccccc2 Amb28205248 [0,1,1,0,0,0|2,0,0]=4 448 B16R2.59 BrCCC1CCCN1Cc2ccccc2 Amb25065691 [0,1,1,0,0,0|2,0,0]=4 449 B16R2.59 CNCC1CCCN1Cc2ccccc2 Amb5754772 [0,1,1,0,0,0|1,0,0]=3 450 B16R2.59 CNC[C@@H]1CCCN1Cc2ccccc2 Amb22224771 [0,1,1,0,0,0|1,0,0]=3 451 B16R2.59 ClCCC1CCCN1Cc2ccccc2 Amb27591835 [0,1,1,0,0,0|2,0,0]=4 452 B16R2.59 NCCC1CCCN1Cc2ccccc2 Amb18783719 [0,1,1,0,0,0|2,0,0]=4 453 B16R2.59 NNCC1CCCN1Cc2ccccc2 Amb32952689 [0,1,1,0,0,0|2,0,0]=4 454 B16R2.59 OCCC1CCCN1Cc2ccccc2 Amb26511047 [0,1,1,0,0,0|2,0,0]=4 455 B16R2.59 ONCC1CCCN1Cc2ccccc2 Amb32952397 [0,1,1,0,0,0|2,0,0]=4 456 B16R2.59 SCCC1CCCN1Cc2ccccc2 Amb32953113 [0,1,1,0,0,0|2,0,0]=4 457 B16R2.168 CCC1CCNC1Cc2cccc(C)c2 Amb3788758 [0,1,1,0,0,0|2,0,0]=4 458 B16R2.168 COC1CCCC1Oc2cccc(Br)c2 Amb28191542 [0,1,1,0,0,0|2,0,0]=4 459 B16R2.168 COC1CCCC1Oc2cccc(I)c2 Amb27185271 [0,1,1,0,0,0|2,0,0]=4 460 B16R2.464 CC(=O)C1CCCN1Cc2ccccc2 Amb32954333 [0,1,1,0,0,0|2,0,0]=4 461 B16R2.464 CC(N)C1CCCN1Cc2ccccc2 Amb25943087 [0,1,1,0,0,0|2,0,0]=4 462 B16R2.464 CN(C)C1CCCC1Oc2ccccn2 Amb33611795 [0,1,1,0,0,0|2,0,0]=4 463 B16R2.464 C[C@@H](N)C1CCCN1Cc2ccccc2 Amb32952424 [0,1,1,0,0,0|2,0,0]=4 464 B16R2.464 C[C@@H](O)C1CCCN1Cc2ccccc2 Amb32952651 [0,1,1,0,0,0|2,0,0]=4 465 B16R2.464 C[C@H](N)C1CCCN1Cc2ccccc2 Amb32952427 [0,1,1,0,0,0|2,0,0]=4 466 B16R2.464 C[C@H](O)C1CCCN1Cc2ccccc2 Amb32952656 [0,1,1,0,0,0|2,0,0]=4 467 B16R2.464 O=C(O)C1CCCC1Cc2ccccc2 Amb27196571 [0,1,1,0,0,0|2,0,0]=4 468 B16R2.1632 CCC1CCNC1Cc2ccccc2C Amb3788763 [0,1,1,0,0,0|2,0,0]=4 469 B16R2.1632 CCC1CCNC1Cc2ccccc2F Amb3788936 [0,1,1,0,0,0|2,0,0]=4 470 B16R2.1632 COC1CCCC1Oc2ccccc2I Amb28314800 [0,1,1,0,0,0|2,0,0]=4 471 B16R2.2244 COC1CCCC1Oc2ccc(Br)cc2 Amb28061480 [0,1,1,0,0,0|2,0,0]=4 472 B16R2.2516 CNC1COCC1C(=O)c2ccccc2 Amb27168500 [0,1,1,0,0,0|1,0,1]=4 473 B16R2.100 CNCC(c1ccccc1)C2CCCC2 Amb17237852 [0,1,1,0,0,0|0,0,0]=2 474 B16R2.100 CNCC(c1ccccc1)N2CCCC2 Amb5785560 [0,1,1,0,0,0|1,0,0]=3 475 B16R2.100 NCCC(c1ccccc1)C2CCCC2 Amb17237898 [0,1,1,0,0,0|0,0,0]=2 476 B16R2.100 NCCC(c1ccccc1)N2CCCC2 Amb33743933 [0,1,1,0,0,0|1,0,0]=3 477 B16R2.100 NCCC(c1ccccc1)N2CCCC2 Amb5758654 [0,1,1,0,0,0|1,0,0]=3 478 B16R2.100 NCCC(c1ccccn1)N2CCCC2 Amb18782112 [0,1,1,0,0,0|2,0,0]=4 479 B16R2.100 NCCC(c1ccncc1)N2CCCC2 Amb5758662 [0,1,1,0,0,0|2,0,0]=4 480 B16R2.100 NC\C=C(\c1ccccc1)C2CCCC2 Amb31116278 [0,1,1,0,0,0|0,0,1]=3 481 B16R2.100 NC\C=C(\c1ccccn1)C2CCCC2 Amb31116414 [0,1,1,0,0,0|1,0,1]=4 482 B16R2.100 NC\C=C(\c1cccnc1)C2CCCC2 Amb31116415 [0,1,1,0,0,0|1,0,1]=4 483 B16R2.100 NC\C=C(\c1ccncc1)C2CCCC2 Amb31116416 [0,1,1,0,0,0|1,0,1]=4 484 B16R2.100 O=C=NC(c1ccccc1)C2CCCC2 Amb17237286 [0,1,1,0,0,0|1,0,1]=4 485 B16R2.100 OCCC(c1ccccc1)C2CCCC2 Amb17238216 [0,1,1,0,0,0|1,0,0]=3 486 B16R2.189 BrCC(c1ccc(Br)cc1)C2CCSC2 Amb35704992 [0,1,1,0,0,0|2,0,0]=4 487 B16R2.189 CCC(c1ccc(N)cc1)N2CCCC2 Amb17090426 [0,1,1,0,0,0|2,0,0]=4 488 B16R2.189 CNC(c1ccc(Br)cc1)C2CCCC2 Amb9341116 [0,1,1,0,0,0|2,0,0]=4 489 B16R2.189 CNC(c1ccc(Cl)cc1)C2CCCC2 Amb9341471 [0,1,1,0,0,0|2,0,0]=4 490 B16R2.189 Cc1ccc(C(C#N)C2CCCC2)cc1 Amb17236974 [0,1,1,0,0,0|0,0,2]=4 491 B16R2.189 Cc1ccc(C(CBr)C2CCCC2)cc1 Amb17272609 [0,1,1,0,0,0|1,0,0]=3 492 B16R2.189 Cc1ccc(C(CBr)C2CCSC2)cc1 Amb35704978 [0,1,1,0,0,0|2,0,0]=4 493 B16R2.189 Cc1ccc(C(CCl)C2CCSC2)cc1 Amb35704967 [0,1,1,0,0,0|2,0,0]=4 494 B16R2.189 Cc1ccc(C(CCl)N2CCCC2)cc1 Amb17246412 [0,1,1,0,0,0|2,0,0]=4 495 B16R2.189 Cc1ccc(C(CN)C2CCCC2)cc1 Amb17087376 [0,1,1,0,0,0|0,0,0]=2 496 B16R2.189 Cc1ccc(C(CN)N2CCCC2)cc1 Amb1126755 [0,1,1,0,0,0|1,0,0]=3 497 B16R2.189 Cc1ccc(C(CO)C2CCCC2)cc1 Amb17238185 [0,1,1,0,0,0|1,0,0]=3 498 B16R2.189 Cc1ccc(C(CO)N2CCCC2)cc1 Amb17238476 [0,1,1,0,0,0|2,0,0]=4 499 B16R2.189 ClCC(c1ccc(Br)cc1)C2CCSC2 Amb35704987 [0,1,1,0,0,0|2,0,0]=4 500 B16R2.189 ClCC(c1ccc(Cl)cc1)C2CCSC2 Amb35704973 [0,1,1,0,0,0|2,0,0]=4 501 B16R2.189 ClCC(c1ccc(Cl)cc1)N2CCCC2 Amb17256985 [0,1,1,0,0,0|2,0,0]=4 502 B16R2.189 Clc1ccc(C(CBr)C2CCSC2)cc1 Amb35704988 [0,1,1,0,0,0|2,0,0]=4 503 B16R2.189 Fc1ccc(C(CBr)C2CCCC2)cc1 Amb17275351 [0,1,1,0,0,0|1,0,0]=3 504 B16R2.189 Fc1ccc(C(CBr)C2CCSC2)cc1 Amb35704982 [0,1,1,0,0,0|2,0,0]=4 505 B16R2.189 Fc1ccc(C(CCl)C2CCSC2)cc1 Amb35704969 [0,1,1,0,0,0|2,0,0]=4 506 B16R2.189 Fc1ccc(C(CCl)N2CCCC2)cc1 Amb17247994 [0,1,1,0,0,0|2,0,0]=4 507 B16R2.189 N#CC(c1ccc(Br)cc1)C2CCCC2 Amb17270786 [0,1,1,0,0,0|0,0,2]=4 508 B16R2.189 N#CC(c1ccc(Cl)cc1)C2CCCC2 Amb17244093 [0,1,1,0,0,0|0,0,2]=4 509 B16R2.189 N#CC(c1ccc(F)cc1)C2CCCC2 Amb17237697 [0,1,1,0,0,0|0,0,2]=4 510 B16R2.189 NCC(c1ccc(Br)cc1)C2CCCC2 Amb17087385 [0,1,1,0,0,0|0,0,0]=2 511 B16R2.189 NCC(c1ccc(Br)cc1)N2CCCC2 Amb1129435 [0,1,1,0,0,0|1,0,0]=3 512 B16R2.189 NCC(c1ccc(Cl)cc1)C2CCCC2 Amb33527604 [0,1,1,0,0,0|0,0,0]=2 513 B16R2.189 NCC(c1ccc(Cl)cc1)C2CCCC2 Amb6316196 [0,1,1,0,0,0|0,0,0]=2 514 B16R2.189 NCC(c1ccc(Cl)cc1)N2CCCC2 Amb15740798 [0,1,1,0,0,0|1,0,0]=3 515 B16R2.189 NCC(c1ccc(Cl)cc1)N2CCCC2 Amb21954342 [0,1,1,0,0,0|1,0,0]=3 516 B16R2.189 NCC(c1ccc(Cl)cc1)N2CCCC2 Amb9708280 [0,1,1,0,0,0|1,0,0]=3 517 B16R2.189 NCC(c1ccc(F)cc1)C2CCCC2 Amb17087383 [0,1,1,0,0,0|0,0,0]=2 518 B16R2.189 NCC(c1ccc(F)cc1)N2CCCC2 Amb34912606 [0,1,1,0,0,0|1,0,0]=3 519 B16R2.189 NCC(c1ccc(F)cc1)N2CCCC2 Amb9708628 [0,1,1,0,0,0|1,0,0]=3 520 B16R2.189 NCC(c1ccc(N)cc1)C2CCCC2 Amb18062061 [0,1,1,0,0,0|0,0,0]=2 521 B16R2.189 NCC(c1ccc(N)cc1)N2CCCC2 Amb31128875 [0,1,1,0,0,0|1,0,0]=3 522 B16R2.189 NCC(c1ccc(O)cc1)N2CCCC2 Amb1127156 [0,1,1,0,0,0|1,0,0]=3 523 B16R2.189 Nc1ccc(C(CO)C2CCCC2)cc1 Amb18062050 [0,1,1,0,0,0|1,0,0]=3 524 B16R2.189 OCC(c1ccc(Br)cc1)C2CCCC2 Amb17273858 [0,1,1,0,0,0|1,0,0]=3 525 B16R2.189 OCC(c1ccc(Br)cc1)N2CCCC2 Amb17274559 [0,1,1,0,0,0|2,0,0]=4 526 B16R2.189 OCC(c1ccc(Cl)cc1)C2CCCC2 Amb17246799 [0,1,1,0,0,0|1,0,0]=3 527 B16R2.189 OCC(c1ccc(Cl)cc1)N2CCCC2 Amb17247171 [0,1,1,0,0,0|2,0,0]=4 528 B16R2.189 OCC(c1ccc(F)cc1)C2CCCC2 Amb17239891 [0,1,1,0,0,0|1,0,0]=3 529 B16R2.189 OCC(c1ccc(F)cc1)N2CCCC2 Amb17240229 [0,1,1,0,0,0|2,0,0]=4 530 B16R2.519 CC(C)C(c1ccccc1)C2CCCN2 Amb33175607 [0,1,1,0,0,0|2,0,0]=4 531 B16R2.519 CC(C)C(c1ccccc1)C2CCNC2 Amb32954175 [0,1,1,0,0,0|2,0,0]=4 532 B16R2.519 CC(N)C(c1ccccc1)N2CCCC2 Amb9710752 [0,1,1,0,0,0|1,0,0]=3 533 B16R2.519 NC(=O)C(c1ccccc1)N2CCCC2 Amb4010700 [0,1,1,0,0,0|1,0,1]=4 534 B16R2.519 O=C(Cl)C(c1ccccc1)C2CCCC2 Amb24090313 [0,1,1,0,0,0|1,0,1]=4 535 B16R2.519 O=C(O)C(c1ccccc1)C2CCCC2 Amb2722572 [0,1,1,0,0,0|1,0,1]=4 536 B16R2.2222 BrCC(c1cccc(Br)c1)C2CCCC2 Amb27870617 [0,1,1,0,0,0|1,0,0]=3 537 B16R2.2222 BrCC(c1cccc(Br)c1)C2CCSC2 Amb35704993 [0,1,1,0,0,0|2,0,0]=4 538 B16R2.2222 CCC(c1cccc(N)c1)N2CCCC2 Amb17090342 [0,1,1,0,0,0|2,0,0]=4 539 B16R2.2222 CNC(c1cccc(Br)c1)C2CCCC2 Amb18593113 [0,1,1,0,0,0|2,0,0]=4 540 B16R2.2222 Cc1cccc(C(C#N)C2CCCC2)c1 Amb17236973 [0,1,1,0,0,0|0,0,2]=4 541 B16R2.2222 Cc1cccc(C(CBr)C2CCCC2)c1 Amb17272607 [0,1,1,0,0,0|1,0,0]=3 542 B16R2.2222 Cc1cccc(C(CBr)C2CCSC2)c1 Amb35704979 [0,1,1,0,0,0|2,0,0]=4 543 B16R2.2222 Cc1cccc(C(CCl)C2CCCC2)c1 Amb17245940 [0,1,1,0,0,0|1,0,0]=3 544 B16R2.2222 Cc1cccc(C(CCl)C2CCSC2)c1 Amb35704966 [0,1,1,0,0,0|2,0,0]=4 545 B16R2.2222 Cc1cccc(C(CCl)N2CCCC2)c1 Amb17246411 [0,1,1,0,0,0|2,0,0]=4 546 B16R2.2222 Cc1cccc(C(CN)C2CCCC2)c1 Amb17194405 [0,1,1,0,0,0|0,0,0]=2 547 B16R2.2222 Cc1cccc(C(CN)N2CCCC2)c1 Amb1125477 [0,1,1,0,0,0|1,0,0]=3 548 B16R2.2222 Cc1cccc(C(CO)C2CCCC2)c1 Amb17194393 [0,1,1,0,0,0|1,0,0]=3 549 B16R2.2222 Cc1cccc(C(CO)N2CCCC2)c1 Amb17238474 [0,1,1,0,0,0|2,0,0]=4 550 B16R2.2222 ClCC(c1cccc(Br)c1)C2CCCC2 Amb17287381 [0,1,1,0,0,0|1,0,0]=3 551 B16R2.2222 ClCC(c1cccc(Br)c1)C2CCSC2 Amb35704986 [0,1,1,0,0,0|2,0,0]=4 552 B16R2.2222 ClCC(c1cccc(Cl)c1)C2CCSC2 Amb35704975 [0,1,1,0,0,0|2,0,0]=4 553 B16R2.2222 ClCC(c1cccc(Cl)c1)N2CCCC2 Amb17256984 [0,1,1,0,0,0|2,0,0]=4 554 B16R2.2222 Clc1cccc(C(CBr)C2CCSC2)c1 Amb35704985 [0,1,1,0,0,0|2,0,0]=4 555 B16R2.2222 Fc1cccc(C(CBr)C2CCCC2)c1 Amb28241687 [0,1,1,0,0,0|1,0,0]=3 556 B16R2.2222 Fc1cccc(C(CBr)C2CCSC2)c1 Amb35704981 [0,1,1,0,0,0|2,0,0]=4 557 B16R2.2222 Fc1cccc(C(CCl)C2CCCC2)c1 Amb28291193 [0,1,1,0,0,0|1,0,0]=3 558 B16R2.2222 Fc1cccc(C(CCl)C2CCSC2)c1 Amb35704971 [0,1,1,0,0,0|2,0,0]=4 559 B16R2.2222 N#CC(c1cccc(Br)c1)C2CCCC2 Amb17270785 [0,1,1,0,0,0|0,0,2]=4 560 B16R2.2222 N#CC(c1cccc(Cl)c1)C2CCCC2 Amb17244092 [0,1,1,0,0,0|0,0,2]=4 561 B16R2.2222 NCC(c1cccc(Br)c1)C2CCCC2 Amb17273296 [0,1,1,0,0,0|0,0,0]=2 562 B16R2.2222 NCC(c1cccc(Br)c1)N2CCCC2 Amb1139888 [0,1,1,0,0,0|1,0,0]=3 563 B16R2.2222 NCC(c1cccc(Cl)c1)C2CCCC2 Amb17194403 [0,1,1,0,0,0|0,0,0]=2 564 B16R2.2222 NCC(c1cccc(Cl)c1)N2CCCC2 Amb9710522 [0,1,1,0,0,0|1,0,0]=3 565 B16R2.2222 NCC(c1cccc(F)c1)C2CCCC2 Amb17194401 [0,1,1,0,0,0|0,0,0]=2 566 B16R2.2222 NCC(c1cccc(F)c1)N2CCCC2 Amb1141133 [0,1,1,0,0,0|1,0,0]=3 567 B16R2.2222 NCC(c1cccc(N)c1)C2CCCC2 Amb18062074 [0,1,1,0,0,0|0,0,0]=2 568 B16R2.2222 NCC(c1cccc(N)c1)N2CCCC2 Amb31128874 [0,1,1,0,0,0|1,0,0]=3 569 B16R2.2222 NCC(c1cccc(O)c1)N2CCCC2 Amb1135616 [0,1,1,0,0,0|1,0,0]=3 570 B16R2.2222 Nc1cccc(C(CO)C2CCCC2)c1 Amb18559545 [0,1,1,0,0,0|1,0,0]=3 571 B16R2.2222 OCC(c1cccc(Br)c1)C2CCCC2 Amb17273856 [0,1,1,0,0,0|1,0,0]=3 572 B16R2.2222 OCC(c1cccc(Br)c1)N2CCCC2 Amb17274557 [0,1,1,0,0,0|2,0,0]=4 573 B16R2.2222 OCC(c1cccc(Cl)c1)C2CCCC2 Amb17194391 [0,1,1,0,0,0|1,0,0]=3 574 B16R2.2222 OCC(c1cccc(Cl)c1)N2CCCC2 Amb17247169 [0,1,1,0,0,0|2,0,0]=4 575 B16R2.2222 OCC(c1cccc(F)c1)C2CCCC2 Amb17194389 [0,1,1,0,0,0|1,0,0]=3 576 B16R2.2222 OCC(c1cccc(F)c1)N2CCCC2 Amb23442894 [0,1,1,0,0,0|2,0,0]=4 577 B16R2.2442 CC(C=O)(c1ccccc1)C2CCCC2 Amb35730412 [0,1,1,0,0,0|1,0,1]=4 578 B16R2.2442 CC(CN)(c1ccccc1)C2CCCC2 Amb31112587 [0,1,1,0,0,0|0,0,0]=2 579 B16R2.2442 CC(CN)(c1ccccc1)N2CCCC2 Amb3964986 [0,1,1,0,0,0|1,0,0]=3 580 B16R2.2442 CC(CN)(c1ccccn1)C2CCCC2 Amb31112802 [0,1,1,0,0,0|1,0,0]=3 581 B16R2.2442 CC(CN)(c1cccnc1)C2CCCC2 Amb31112803 [0,1,1,0,0,0|1,0,0]=3 582 B16R2.2442 CC(CN)(c1ccncc1)C2CCCC2 Amb31112804 [0,1,1,0,0,0|1,0,0]=3 583 B16R2.2442 CC(CN)(c1cnccn1)C2CCCC2 Amb31117074 [0,1,1,0,0,0|2,0,0]=4 584 B16R2.2442 CC(CO)(c1ccccc1)N2CCCC2 Amb23555672 [0,1,1,0,0,0|2,0,0]=4 585 B16R2.2442 NCC(O)(c1ccccc1)C2CCCC2 Amb31117029 [0,1,1,0,0,0|0,0,0]=2 586 B16R2.2442 NCC(O)(c1ccccn1)C2CCCC2 Amb31117275 [0,1,1,0,0,0|1,0,0]=3 587 B16R2.2442 NCC(O)(c1cccnc1)C2CCCC2 Amb31117276 [0,1,1,0,0,0|1,0,0]=3 588 B16R2.2442 NCC(O)(c1ccncc1)C2CCCC2 Amb31117277 [0,1,1,0,0,0|1,0,0]=3 589 B16R2.2442 OC[C@](O)(c1ccccc1)C2CCCC2 Amb33622585 [0,1,1,0,0,0|1,0,0]=3 590 B16R2.5483 BrCC(c1ccccc1Br)C2CCSC2 Amb35704994 [0,1,1,0,0,0|2,0,0]=4 591 B16R2.5483 Cc1ccccc1C(C#N)C2CCCC2 Amb17236972 [0,1,1,0,0,0|0,0,2]=4 592 B16R2.5483 Cc1ccccc1C(CBr)C2CCCC2 Amb17272605 [0,1,1,0,0,0|1,0,0]=3 593 B16R2.5483 Cc1ccccc1C(CBr)C2CCSC2 Amb35704977 [0,1,1,0,0,0|2,0,0]=4 594 B16R2.5483 Cc1ccccc1C(CCl)C2CCCC2 Amb17245938 [0,1,1,0,0,0|1,0,0]=3 595 B16R2.5483 Cc1ccccc1C(CCl)C2CCSC2 Amb35704968 [0,1,1,0,0,0|2,0,0]=4 596 B16R2.5483 Cc1ccccc1C(CCl)N2CCCC2 Amb17246410 [0,1,1,0,0,0|2,0,0]=4 597 B16R2.5483 Cc1ccccc1C(CN)C2CCCC2 Amb17194404 [0,1,1,0,0,0|0,0,0]=2 598 B16R2.5483 Cc1ccccc1C(CN)N2CCCC2 Amb9708391 [0,1,1,0,0,0|1,0,0]=3 599 B16R2.5483 Cc1ccccc1C(CO)C2CCCC2 Amb17194392 [0,1,1,0,0,0|1,0,0]=3 600 B16R2.5483 Cc1ccccc1C(CO)N2CCCC2 Amb17238472 [0,1,1,0,0,0|2,0,0]=4 601 B16R2.5483 ClCC(c1ccccc1Br)C2CCSC2 Amb35704984 [0,1,1,0,0,0|2,0,0]=4 602 B16R2.5483 ClCC(c1ccccc1Cl)C2CCCC2 Amb17256470 [0,1,1,0,0,0|1,0,0]=3 603 B16R2.5483 ClCC(c1ccccc1Cl)C2CCSC2 Amb35704974 [0,1,1,0,0,0|2,0,0]=4 604 B16R2.5483 ClCC(c1ccccc1Cl)N2CCCC2 Amb17256983 [0,1,1,0,0,0|2,0,0]=4 605 B16R2.5483 Clc1ccccc1C(CBr)C2CCSC2 Amb35704989 [0,1,1,0,0,0|2,0,0]=4 606 B16R2.5483 Fc1ccccc1C(CBr)C2CCSC2 Amb35704980 [0,1,1,0,0,0|2,0,0]=4 607 B16R2.5483 Fc1ccccc1C(CCl)C2CCSC2 Amb35704970 [0,1,1,0,0,0|2,0,0]=4 608 B16R2.5483 Fc1ccccc1C(CCl)N2CCCC2 Amb17247993 [0,1,1,0,0,0|2,0,0]=4 609 B16R2.5483 N#CC(c1ccccc1Cl)C2CCCC2 Amb2099572 [0,1,1,0,0,0|0,0,2]=4 610 B16R2.5483 N#CC(c1ccccc1F)C2CCCC2 Amb17237696 [0,1,1,0,0,0|0,0,2]=4 611 B16R2.5483 NCC(c1ccccc1Br)N2CCCC2 Amb6256247 [0,1,1,0,0,0|1,0,0]=3 612 B16R2.5483 NCC(c1ccccc1Cl)C2CCCC2 Amb17194402 [0,1,1,0,0,0|0,0,0]=2 613 B16R2.5483 NCC(c1ccccc1Cl)N2CCCC2 Amb10576202 [0,1,1,0,0,0|1,0,0]=3 614 B16R2.5483 NCC(c1ccccc1Cl)N2CCCC2 Amb5717370 [0,1,1,0,0,0|1,0,0]=3 615 B16R2.5483 NCC(c1ccccc1F)C2CCCC2 Amb17194400 [0,1,1,0,0,0|0,0,0]=2 616 B16R2.5483 NCC(c1ccccc1F)N2CCCC2 Amb9713828 [0,1,1,0,0,0|1,0,0]=3 617 B16R2.5483 NCC(c1ccccc1N)C2CCCC2 Amb18559558 [0,1,1,0,0,0|0,0,0]=2 618 B16R2.5483 NCC(c1ccccc1O)N2CCCC2 Amb17143364 [0,1,1,0,0,0|1,0,0]=3 619 B16R2.5483 Nc1ccccc1C(CO)C2CCCC2 Amb18559553 [0,1,1,0,0,0|1,0,0]=3 620 B16R2.5483 OCC(c1ccccc1Cl)C2CCCC2 Amb17194390 [0,1,1,0,0,0|1,0,0]=3 621 B16R2.5483 OCC(c1ccccc1Cl)N2CCCC2 Amb17247167 [0,1,1,0,0,0|2,0,0]=4 622 B16R2.5483 OCC(c1ccccc1F)C2CCCC2 Amb17194388 [0,1,1,0,0,0|1,0,0]=3 623 B16R2.5483 OCC(c1ccccc1F)N2CCCC2 Amb17240227 [0,1,1,0,0,0|2,0,0]=4 624 B16R2.1084 CC1CCCC1C(Br)c2ccc(Cl)cc2 Amb27390862 [0,1,1,0,0,0|2,0,0]=4 625 B16R2.1084 CC1CCCN1C(C)c2ccc(Br)cc2 Amb27598901 [0,1,1,0,0,0|2,0,0]=4 626 B16R2.1084 Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2N)cc1 Amb35660415 [0,1,1,0,0,0|1,0,1]=4 627 B16R2.1084 NC1CCCC1C(=O)c2ccc(Br)cc2 Amb35614560 [0,1,1,0,0,0|1,0,1]=4 628 B16R2.1084 NC1CCCC1C(=O)c2ccc(Cl)cc2 Amb27404428 [0,1,1,0,0,0|1,0,1]=4 629 B16R2.1084 N[C@@H]1CCC[C@@H]1C(=O)c2ccc(Br)cc2 Amb35662960 [0,1,1,0,0,0|1,0,1]=4 630 B16R2.1084 N[C@@H]1CCC[C@@H]1C(=O)c2ccc(Cl)cc2 Amb29892082 [0,1,1,0,0,0|1,0,1]=4 631 B16R2.1084 N[C@@H]1CCC[C@@H]1C(=O)c2ccc(F)cc2 Amb35660429 [0,1,1,0,0,0|1,0,1]=4 632 B16R2.22598 Cc1ccccc1C(=O)[C@@H]2CCC[C@@H]2N Amb35660416 [0,1,1,0,0,0|1,0,1]=4 633 B16R2.22598 NC1CCCC1C(=O)c2ccccc2Cl Amb28341440 [0,1,1,0,0,0|1,0,1]=4 634 B16R2.22598 N[C@@H]1CCC[C@@H]1C(=O)c2ccccc2Cl Amb29892084 [0,1,1,0,0,0|1,0,1]=4 635 B16R2.22598 N[C@@H]1CCC[C@@H]1C(=O)c2ccccc2F Amb35660427 [0,1,1,0,0,0|1,0,1]=4 636 B16R2.25698 CC1CCCN1C(C)c2cccc(Br)c2 Amb27776060 [0,1,1,0,0,0|2,0,0]=4 637 B16R2.25698 Cc1cccc(C(=O)[C@@H]2CCC[C@@H]2N)c1 Amb35660414 [0,1,1,0,0,0|1,0,1]=4 638 B16R2.25698 NC1CCCC1C(=O)c2cccc(Br)c2 Amb30021589 [0,1,1,0,0,0|1,0,1]=4 639 B16R2.25698 N[C@@H]1CCC[C@@H]1C(=O)c2cccc(Br)c2 Amb35662961 [0,1,1,0,0,0|1,0,1]=4 640 B16R2.25698 N[C@@H]1CCC[C@@H]1C(=O)c2cccc(Cl)c2 Amb29892081 [0,1,1,0,0,0|1,0,1]=4 641 B16R2.25698 N[C@@H]1CCC[C@@H]1C(=O)c2cccc(F)c2 Amb35660428 [0,1,1,0,0,0|1,0,1]=4 642 B16R2.3281 O=C1CCCCCC(c2ccccc2)N1 Amb32862494 [0,1,1,0,0,0|2,0,0]=4 643 B16R2.11538 Cc1ccc(C2CCCCCCN2)cc1 Amb32862588 [0,1,1,0,0,0|2,0,0]=4 644 B16R2.11538 Clc1ccc(C2CCCCCCN2)cc1 Amb32862591 [0,1,1,0,0,0|2,0,0]=4 645 B16R2.11538 Fc1ccc(C2CCCCCCN2)cc1 Amb32862597 [0,1,1,0,0,0|2,0,0]=4 646 B16R2.11538 Nc1ccc(C2CCCCCCN2)cc1 Amb32862559 [0,1,1,0,0,0|2,0,0]=4 647 B16R2.11538 Nc1ccc(N2CCCCCCC2)cc1 Amb6750187 [0,1,1,0,0,0|2,0,0]=4 648 B16R2.11867 Cc1cccc(C2CCCCCCN2)c1 Amb32862595 [0,1,1,0,0,0|2,0,0]=4 649 B16R2.11867 Clc1cccc(C2CCCCCCN2)c1 Amb32862606 [0,1,1,0,0,0|2,0,0]=4 650 B16R2.11867 Fc1cccc(C2CCCCCCN2)c1 Amb32862608 [0,1,1,0,0,0|2,0,0]=4 651 B16R2.11867 Nc1cccc(C2CCCCCCN2)c1 Amb32862601 [0,1,1,0,0,0|2,0,0]=4 652 B16R2.14656 Nc1ccccc1N2CCCCCCC2 Amb6750190 [0,1,1,0,0,0|2,0,0]=4 653 B16R2.135 Brc1ccc(CCCC2CCCN2)cc1 Amb33332174 [0,1,1,0,0,0|2,0,0]=4 654 B16R2.135 Brc1ccc(CCCC2CCNC2)cc1 Amb33332159 [0,1,1,0,0,0|2,0,0]=4 655 B16R2.135 Brc1ccc(CCCN2CCCC2)cc1 Amb22263723 [0,1,1,0,0,0|2,0,0]=4 656 B16R2.135 Brc1ccc(CCNC2CCCC2)cc1 Amb17273303 [0,1,1,0,0,0|0,0,0]=2 657 B16R2.135 Brc1ccc(CCOC2CCNC2)cc1 Amb33334094 [0,1,1,0,0,0|2,0,0]=4 658 B16R2.135 Cc1ccc(CCCC2CCCN2)cc1 Amb18566842 [0,1,1,0,0,0|2,0,0]=4 659 B16R2.135 Cc1ccc(CCNC2CCCC2)cc1 Amb17237864 [0,1,1,0,0,0|0,0,0]=2 660 B16R2.135 Cc1ccc(CNCC2CCCC2)cc1 Amb8952628 [0,1,1,0,0,0|2,0,0]=4 661 B16R2.135 Clc1ccc(CCCC2CCCN2)cc1 Amb18571054 [0,1,1,0,0,0|2,0,0]=4 662 B16R2.135 Clc1ccc(CCNC2CCCC2)cc1 Amb6723754 [0,1,1,0,0,0|0,0,0]=2 663 B16R2.135 Clc1ccc(CCNC2CCSC2)cc1 Amb6723758 [0,1,1,0,0,0|1,0,0]=3 664 B16R2.135 Fc1ccc(CCCC2CCCN2)cc1 Amb18568081 [0,1,1,0,0,0|2,0,0]=4 665 B16R2.135 Fc1ccc(CCCC2CCNC2)cc1 Amb33319927 [0,1,1,0,0,0|2,0,0]=4 666 B16R2.135 Fc1ccc(CCNC2CCCC2)cc1 Amb20668800 [0,1,1,0,0,0|0,0,0]=2 667 B16R2.135 Fc1ccc(CCNC2CCCC2)cc1 Amb6689366 [0,1,1,0,0,0|0,0,0]=2 668 B16R2.135 Fc1ccc(CCNC2CCSC2)cc1 Amb6689370 [0,1,1,0,0,0|1,0,0]=3 669 B16R2.135 Fc1ccc(CCOC2CCNC2)cc1 Amb33320651 [0,1,1,0,0,0|2,0,0]=4 670 B16R2.135 Nc1ccc(CCCN2CCCC2)cc1 Amb17050732 [0,1,1,0,0,0|2,0,0]=4 671 B16R2.135 Nc1ccc(CCCN2CCCC2)cc1 Amb17505006 [0,1,1,0,0,0|2,0,0]=4 672 B16R2.135 Oc1ccc(CCCN2CCCC2)cc1 Amb17511326 [0,1,1,0,0,0|2,0,0]=4 673 B16R2.255 Brc1cccc(CCCC2CCCN2)c1 Amb33435422 [0,1,1,0,0,0|2,0,0]=4 674 B16R2.255 Brc1cccc(CCCC2CCNC2)c1 Amb33433425 [0,1,1,0,0,0|2,0,0]=4 675 B16R2.255 Brc1cccc(CCNC2CCCC2)c1 Amb17273297 [0,1,1,0,0,0|0,0,0]=2 676 B16R2.255 Brc1cccc(CCOC2CCNC2)c1 Amb33433792 [0,1,1,0,0,0|2,0,0]=4 677 B16R2.255 Cc1cccc(CCCC2CCCN2)c1 Amb18566841 [0,1,1,0,0,0|2,0,0]=4 678 B16R2.255 Cc1cccc(CCNC2CCCC2)c1 Amb17237859 [0,1,1,0,0,0|0,0,0]=2 679 B16R2.255 Cc1cccc(CCNC2CCSC2)c1 Amb33506157 [0,1,1,0,0,0|1,0,0]=3 680 B16R2.255 Clc1cccc(CCCC2CCCN2)c1 Amb18571053 [0,1,1,0,0,0|2,0,0]=4 681 B16R2.255 Clc1cccc(CCNC2CCCC2)c1 Amb17246424 [0,1,1,0,0,0|0,0,0]=2 682 B16R2.255 Fc1cccc(CCCC2CCCN2)c1 Amb18568080 [0,1,1,0,0,0|2,0,0]=4 683 B16R2.255 Fc1cccc(CCNC2CCCC2)c1 Amb20668801 [0,1,1,0,0,0|0,0,0]=2 684 B16R2.255 Fc1cccc(CCNC2CCCC2)c1 Amb9255567 [0,1,1,0,0,0|0,0,0]=2 685 B16R2.255 Nc1cccc(CCCN2CCCC2)c1 Amb17050708 [0,1,1,0,0,0|2,0,0]=4 686 B16R2.255 Nc1cccc(CCNC2CCCC2)c1 Amb18550392 [0,1,1,0,0,0|0,0,0]=2 687 B16R2.255 Oc1cccc(CCCN2CCCC2)c1 Amb17511302 [0,1,1,0,0,0|2,0,0]=4 688 B16R2.524 CN(Cc1ccccc1)CC2CCCC2 Amb17237838 [0,1,1,0,0,0|2,0,0]=4 689 B16R2.524 NC(Cc1ccccc1)CN2CCCC2 Amb34914070 [0,1,1,0,0,0|2,0,0]=4 690 B16R2.524 NC(Cc1ccncc1)CC2CCCC2 Amb19028034 [0,1,1,0,0,0|2,0,0]=4 691 B16R2.524 NC(Cc1ccncc1)CC2CCCC2 Amb32751283 [0,1,1,0,0,0|2,0,0]=4 692 B16R2.524 N[C@@H](Cc1ccccc1)CN2CCCC2 Amb34913976 [0,1,1,0,0,0|2,0,0]=4 693 B16R2.524 N[C@@H](Cc1ccccc1)CN2CCCC2 Amb5782178 [0,1,1,0,0,0|2,0,0]=4 694 B16R2.524 N[C@H](Cc1ccccc1)CN2CCCC2 Amb34912504 [0,1,1,0,0,0|2,0,0]=4 695 B16R2.524 O=C(Cc1ccccc1)NC2CCNC2 Amb9467305 [0,1,1,0,0,0|1,0,1]=4 696 B16R2.524 O=C(Cc1cccnc1)NC2CCCC2 Amb31199858 [0,1,1,0,0,0|1,0,1]=4 697 B16R2.524 S=C(Nc1ccccc1)NC2CCCC2 Amb1264290 [0,1,1,0,0,0|1,0,1]=4 698 B16R2.2238 CN(CCc1ccccc1)C2CCNC2 Amb20622835 [0,1,1,0,0,0|1,0,0]=3 699 B16R2.2238 CN(CCc1ccncc1)C2CCNC2 Amb17134916 [0,1,1,0,0,0|2,0,0]=4 700 B16R2.2238 NC(CCc1ccccc1)C2CCCC2 Amb17139926 [0,1,1,0,0,0|1,0,0]=3 701 B16R2.2238 O=C(CCc1ccccc1)C2CCCC2 Amb6303745 [0,1,1,0,0,0|1,0,0]=3 702 B16R2.2238 O=C(CCc1ccccc1)C2CCCN2 Amb17237814 [0,1,1,0,0,0|2,0,0]=4 703 B16R2.2238 O=C(CSc1ccccc1)C2CCCC2 Amb32683034 [0,1,1,0,0,0|2,0,0]=4 704 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 Amb2660800 [0,1,1,0,0,0|2,0,0]=4 705 B16R2.2238 O=C(OCc1ccccc1)C2CCCC2 Amb24393419 [0,1,1,0,0,0|2,0,0]=4 706 B16R2.2238 OC(CCc1ccccc1)C2CCCC2 Amb17139972 [0,1,1,0,0,0|1,0,0]=3 707 B16R2.2832 CC1CCC(NCCc2ccccc2)C1 Amb33496644 [0,1,1,0,0,0|0,0,0]=2 708 B16R2.2832 CC1CCC(NCCc2ccccn2)C1 Amb33496641 [0,1,1,0,0,0|1,0,0]=3 709 B16R2.2832 CC1CCC(NOCc2ccccc2)C1 Amb27228446 [0,1,1,0,0,0|1,0,0]=3 710 B16R2.2832 CN1CCC(NCCc2ccccc2)C1 Amb19035124 [0,1,1,0,0,0|1,0,0]=3 711 B16R2.2832 CN1CCC(NOCc2ccccc2)C1 Amb27774305 [0,1,1,0,0,0|2,0,0]=4 712 B16R2.2832 NC1CCC(COCc2ccccc2)C1 Amb27767204 [0,1,1,0,0,0|2,0,0]=4 713 B16R2.2832 NC1CCN(CCCc2ccccc2)C1 Amb17471126 [0,1,1,0,0,0|2,0,0]=4 714 B16R2.2832 N[C@H]1CC[C@@H](CNCc2ccccc2)C1 Amb33071898 [0,1,1,0,0,0|2,0,0]=4 715 B16R2.2832 N[C@H]1CC[C@@H](COCc2ccccc2)C1 Amb28204069 [0,1,1,0,0,0|2,0,0]=4 716 B16R2.2832 OC1CCC(CNCc2ccccc2)C1 Amb27197757 [0,1,1,0,0,0|2,0,0]=4 717 B16R2.2959 Cc1ccccc1CCCC2CCCN2 Amb18566840 [0,1,1,0,0,0|2,0,0]=4 718 B16R2.2959 Cc1ccccc1CCNC2CCCC2 Amb17237854 [0,1,1,0,0,0|0,0,0]=2 719 B16R2.2959 Clc1ccccc1CCCC2CCCN2 Amb18571052 [0,1,1,0,0,0|2,0,0]=4 720 B16R2.2959 Clc1ccccc1CCNC2CCCC2 Amb17246418 [0,1,1,0,0,0|0,0,0]=2 721 B16R2.2959 Fc1ccccc1CCNC2CCCC2 Amb6693016 [0,1,1,0,0,0|0,0,0]=2 722 B16R2.2959 Fc1ccccc1CCNC2CCSC2 Amb6693020 [0,1,1,0,0,0|1,0,0]=3 723 B16R2.2959 Nc1ccccc1CCCN2CCCC2 Amb17050683 [0,1,1,0,0,0|2,0,0]=4 724 B16R2.3250 BrC1CCCC1OCCc2ccccc2 Amb33348482 [0,1,1,0,0,0|1,0,0]=3 725 B16R2.3250 BrC1COCC1OCCc2ccccc2 Amb33348607 [0,1,1,0,0,0|2,0,0]=4 726 B16R2.3250 CC1CCCC1CNCc2ccccc2 Amb27654507 [0,1,1,0,0,0|2,0,0]=4 727 B16R2.3250 CC1CCCC1NCCc2ccccc2 Amb33496267 [0,1,1,0,0,0|0,0,0]=2 728 B16R2.3250 CC1CCCC1NCCc2ccccn2 Amb33496275 [0,1,1,0,0,0|1,0,0]=3 729 B16R2.3250 CC1OCCC1NCCc2ccccc2 Amb33442009 [0,1,1,0,0,0|1,0,0]=3 730 B16R2.3250 CC1OCCC1NCCc2ccccn2 Amb33441994 [0,1,1,0,0,0|2,0,0]=4 731 B16R2.3250 CC1OCCC1NOCc2ccccc2 Amb27487902 [0,1,1,0,0,0|2,0,0]=4 732 B16R2.3250 IC1CCCC1OCCc2ccccc2 Amb33348923 [0,1,1,0,0,0|1,0,0]=3 733 B16R2.3250 IC1COCC1OCCc2ccccc2 Amb33349045 [0,1,1,0,0,0|2,0,0]=4 734 B16R2.3250 NC1CCCC1OCCc2ccccc2 Amb9208540 [0,1,1,0,0,0|1,0,0]=3 735 B16R2.3250 OC1CCCC1CNCc2ccccc2 Amb26395556 [0,1,1,0,0,0|2,0,0]=4 736 B16R2.3250 O[C@@H]1CCC[C@@H]1CNCc2ccccc2 Amb22800128 [0,1,1,0,0,0|2,0,0]=4 737 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 Amb8953834 [0,1,1,0,0,0|2,0,0]=4 738 B16R2.5767 ClC(CCN1CCCC1)c2ccccc2 Amb24064159 [0,1,1,0,0,0|2,0,0]=4 739 B16R2.5767 NC(CCN1CCCC1)c2ccccc2 Amb29847193 [0,1,1,0,0,0|2,0,0]=4 740 B16R2.5767 NC(CCN1CCCC1)c2ccccc2 Amb6715006 [0,1,1,0,0,0|2,0,0]=4 741 B16R2.5767 O=C(CNC1CCCC1)c2ccccc2 Amb17313781 [0,1,1,0,0,0|0,0,1]=3 742 B16R2.5767 O=C(CSC1CCCC1)c2ccccc2 Amb15250 [0,1,1,0,0,0|1,0,1]=4 743 B16R2.5767 OC(CCN1CCCC1)c2ccccc2 Amb17231412 [0,1,1,0,0,0|2,0,0]=4 744 B16R2.5767 OC(CCN1CCCC1)c2ccccc2 Amb21984415 [0,1,1,0,0,0|2,0,0]=4 745 B16R2.5767 OC(CNC1CCCC1)c2ccccc2 Amb21575 [0,1,1,0,0,0|0,0,0]=2 746 B16R2.5767 OC(CNC1CCCC1)c2ccccn2 Amb17140107 [0,1,1,0,0,0|1,0,0]=3 747 B16R2.5767 OC(CNC1CCCC1)c2cccnc2 Amb17140108 [0,1,1,0,0,0|1,0,0]=3 748 B16R2.5767 OC(CNC1CCCC1)c2ccncc2 Amb17140109 [0,1,1,0,0,0|1,0,0]=3 749 B16R2.14780 CC1(CCCc2ccccc2)CCCN1 Amb32667959 [0,1,1,0,0,0|2,0,0]=4 750 B16R2.14780 CC1(CCCc2ccccc2)CCCN1 Amb32668105 [0,1,1,0,0,0|2,0,0]=4 751 B16R2.14780 FC1(CNCc2ccccc2)CCCC1 Amb27599280 [0,1,1,0,0,0|2,0,0]=4 752 B16R2.14780 NC1(CCOc2ccccc2)CCCC1 Amb17074927 [0,1,1,0,0,0|2,0,0]=4 753 B16R2.14780 NC1(COCc2ccccc2)CCCC1 Amb27668307 [0,1,1,0,0,0|2,0,0]=4 754 B16R2.14780 OC1(CCCc2ccccc2)CCNC1 Amb33082090 [0,1,1,0,0,0|2,0,0]=4 755 B16R2.14780 OC1(CNCc2ccccc2)CCCC1 Amb18314736 [0,1,1,0,0,0|2,0,0]=4 756 B16R2.75907 Cc1ccccc1[C@@H]2CN[C@@H](CO)[C@H]2O Amb30527450 [0,1,1,0,0,0|2,0,0]=4 757 B16R3.1738 O[C@@H]1[C@@H]2CC=C[C@@H]2[C@@H]1c3ccccc3 Amb27484805 [0,1,0,0,1,0|0,0,2]=4 758 B16R3.1738 O[C@H]1[C@@H]2CC=C[C@@H]2[C@@H]1c3ccccc3 Amb27255248 [0,1,0,0,1,0|0,0,2]=4 759 B16R3.2048 Brc1ccc(C2CC3CNCC32)cc1 Amb32655433 [0,1,0,0,1,0|1,0,0]=3 760 B16R3.2048 Cc1ccc(C2CC3CNCC32)cc1 Amb32655442 [0,1,0,0,1,0|1,0,0]=3 761 B16R3.2048 Clc1ccc(C2CC3CNCC32)cc1 Amb24440721 [0,1,0,0,1,0|1,0,0]=3 762 B16R3.2048 Clc1ccc(C2CC3CNCC32)cn1 Amb28363902 [0,1,0,0,1,0|2,0,0]=4 763 B16R3.2048 Clc1ccc([C@H]2C[C@H]3CNC[C@@H]23)cc1 Amb27221149 [0,1,0,0,1,0|1,0,0]=3 764 B16R3.2048 Fc1ccc(C2CC3CNCC32)cc1 Amb27219428 [0,1,0,0,1,0|1,0,0]=3 765 B16R3.2064 Brc1cccc(C2CC3CNCC32)c1 Amb32655434 [0,1,0,0,1,0|1,0,0]=3 766 B16R3.2064 Cc1cccc(C2CC3CNCC32)c1 Amb32655444 [0,1,0,0,1,0|1,0,0]=3 767 B16R3.2064 Clc1cccc(C2CC3CNCC32)c1 Amb25737533 [0,1,0,0,1,0|1,0,0]=3 768 B16R3.2064 Clc1cccc([C@H]2C[C@H]3CNC[C@@H]23)c1 Amb28197212 [0,1,0,0,1,0|1,0,0]=3 769 B16R3.2064 Fc1cccc(C2CC3CNCC32)c1 Amb32655439 [0,1,0,0,1,0|1,0,0]=3 770 B16R3.2486 Brc1ccccc1C2CC3CNCC32 Amb32655446 [0,1,0,0,1,0|1,0,0]=3 771 B16R3.2486 Cc1ccccc1C2CC3CNCC32 Amb32655441 [0,1,0,0,1,0|1,0,0]=3 772 B16R3.2486 Clc1ccccc1C2CC3CNCC32 Amb32655429 [0,1,0,0,1,0|1,0,0]=3 773 B16R3.2486 Fc1ccccc1C2CC3CNCC32 Amb25861813 [0,1,0,0,1,0|1,0,0]=3 774 B16R3.2486 Fc1ccccc1[C@H]2C[C@@H]3CNC[C@@H]32 Amb28051943 [0,1,0,0,1,0|1,0,0]=3 775 B16R3.2486 Fc1ccccc1[C@H]2C[C@H]3CNC[C@@H]23 Amb27776835 [0,1,0,0,1,0|1,0,0]=3 776 B18R3.4253 CN1CCC2NCC(c3ccccc3)C2C1 Amb18770082 [0,1,0,0,0,1|0,0,0]=2 777 B18R3.171 NC1CC2CCCN2CC1c3ccccc3 Amb18171965 [0,1,0,0,0,1|2,0,0]=4 778 B18R3.3140 Cc1ccccc1C2CNC[C@@H]3CCCN23 Amb18171970 [0,1,0,0,0,1|1,0,0]=3 779 B18R3.3140 Clc1ccccc1C2CNCC3CCCN32 Amb18736379 [0,1,0,0,0,1|1,0,0]=3 780 B18R3.3140 Oc1ccccc1C2CNC[C@@H]3CCCN23 Amb18768839 [0,1,0,0,0,1|1,0,0]=3 781 B18R3.8788 Cc1ccc(C2CNC[C@@H]3CCCN23)cc1 Amb18171973 [0,1,0,0,0,1|1,0,0]=3 782 B18R3.8788 Clc1ccc(C2CNC[C@@H]3CCCN23)cc1 Amb18736381 [0,1,0,0,0,1|1,0,0]=3 783 B18R3.8788 Oc1ccc(C2CNC[C@@H]3CCCN23)cc1 Amb18768836 [0,1,0,0,0,1|1,0,0]=3 784 B18R3.31674 Cc1cccc(C2CNC[C@@H]3CCCN23)c1 Amb18171976 [0,1,0,0,0,1|1,0,0]=3 785 B18R3.31674 Clc1cccc(C2CNC[C@@H]3CCCN23)c1 Amb18736380 [0,1,0,0,0,1|1,0,0]=3 786 B18R3.31674 Oc1cccc(C2CNC[C@@H]3CCCN23)c1 Amb18768837 [0,1,0,0,0,1|1,0,0]=3 787 B18R3.4213 N[C@@H]1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 Amb33016853 [0,1,0,0,0,1|2,0,0]=4 788 B18R3.4213 N[C@@H]1CC[C@H]2CCN(Cc3ccccc3)[C@H]21 Amb33483643 [0,1,0,0,0,1|2,0,0]=4 789 B14R1.38 CC(SCCCCN)c1ccccc1 Amb17500945 [0,0,2,0,0,0|1,0,0]=3 790 B14R1.38 CCCCCNC(C)c1ccccc1 Amb6688105 [0,0,2,0,0,0|2,0,0]=4 791 B14R1.38 CCCCNCC(C)c1ccccc1 Amb2119259 [0,0,2,0,0,0|0,0,0]=2 792 B14R1.38 CCCCNCC(C)c1ccccc1 Amb6729197 [0,0,2,0,0,0|0,0,0]=2 793 B14R1.38 CCCCNCC(O)c1ccccc1 Amb9242095 [0,0,2,0,0,0|1,0,0]=3 794 B14R1.38 CCCNCCC(C)c1ccccc1 Amb19073616 [0,0,2,0,0,0|2,0,0]=4 795 B14R1.38 CCCNCCC(C)c1ccccc1 Amb19890572 [0,0,2,0,0,0|2,0,0]=4 796 B14R1.38 NCCCCCC(N)c1ccccn1 Amb10606958 [0,0,2,0,0,0|2,0,0]=4 797 B14R1.38 NCCCCCC(N)c1cccnc1 Amb10606957 [0,0,2,0,0,0|2,0,0]=4 798 B14R1.38 NCCCCCC(N)c1ccncc1 Amb10606956 [0,0,2,0,0,0|2,0,0]=4 799 B14R1.121 CCCCNC(CC)c1ccccc1 Amb9736122 [0,0,2,0,0,0|2,0,0]=4 800 B14R1.121 CCCCNC(CO)c1ccccc1 Amb33496251 [0,0,2,0,0,0|2,0,0]=4 801 B14R1.121 CCCCOC(CBr)c1ccccc1 Amb33348519 [0,0,2,0,0,0|2,0,0]=4 802 B14R1.121 CCCCOC(CI)c1ccccc1 Amb33349136 [0,0,2,0,0,0|2,0,0]=4 803 B14R1.520 CCCC(C)NCCc1ccccn1 Amb6694519 [0,0,2,0,0,0|1,0,0]=3 804 B14R1.520 CCCC(C)NOCc1ccccc1 Amb27832202 [0,0,2,0,0,0|1,0,0]=3 805 B14R1.520 COCC(C)NCCc1ccccc1 Amb6689549 [0,0,2,0,0,0|1,0,0]=3 806 B14R1.520 COCC(C)NCCc1ccccn1 Amb19080164 [0,0,2,0,0,0|2,0,0]=4 807 B14R1.123 BrCCCCCCCc1ccccc1 Amb2685410 [0,0,2,0,0,0|2,0,0]=4 808 B14R1.123 CCCCCCCCc1ccccc1 Amb6619511 [0,0,2,0,0,0|1,0,0]=3 809 B14R1.123 CCCCCCCCc1ccccn1 Amb22235250 [0,0,2,0,0,0|2,0,0]=4 810 B14R1.123 CCCCCCCCc1cccnc1 Amb22235254 [0,0,2,0,0,0|2,0,0]=4 811 B14R1.123 CCCCCCCCc1ccncc1 Amb10553162 [0,0,2,0,0,0|2,0,0]=4 812 B14R1.123 CCCCCCNCc1ccccc1 Amb838135 [0,0,2,0,0,0|2,0,0]=4 813 B14R1.123 CCCCCNCCc1ccccc1 Amb6688086 [0,0,2,0,0,0|0,0,0]=2 814 B14R1.123 CCCCCNOCc1ccccc1 Amb25943392 [0,0,2,0,0,0|1,0,0]=3 815 B14R1.123 CCCCNCCCc1ccccc1 Amb10559435 [0,0,2,0,0,0|2,0,0]=4 816 B14R1.123 CCCCNCCCc1ccccc1 Amb6709575 [0,0,2,0,0,0|2,0,0]=4 817 B14R1.123 CCOCCNCCc1ccccc1 Amb9241005 [0,0,2,0,0,0|1,0,0]=3 818 B14R1.123 CNCCCCNCc1ccccc1 Amb19050856 [0,0,2,0,0,0|1,0,0]=3 819 B14R1.123 CNCCCCOCc1ccccc1 Amb19062004 [0,0,2,0,0,0|1,0,0]=3 820 B14R1.123 CNCCCNCCc1ccccc1 Amb6888027 [0,0,2,0,0,0|1,0,0]=3 821 B14R1.123 CNCCSCOCc1ccccc1 Amb27434622 [0,0,2,0,0,0|2,0,0]=4 822 B14R1.123 COCCCCCNc1ccccc1 Amb33133276 [0,0,2,0,0,0|2,0,0]=4 823 B14R1.123 COCCCCNCc1ccccc1 Amb10610303 [0,0,2,0,0,0|2,0,0]=4 824 B14R1.123 COCCCNCCc1ccccc1 Amb876019 [0,0,2,0,0,0|1,0,0]=3 825 B14R1.123 COCCNCCCc1ccccc1 Amb6707136 [0,0,2,0,0,0|2,0,0]=4 826 B14R1.123 FCCCCNOCc1ccccc1 Amb27765238 [0,0,2,0,0,0|2,0,0]=4 827 B14R1.123 NCCCCNOCc1ccccc1 Amb24707828 [0,0,2,0,0,0|2,0,0]=4 828 B14R1.123 NCCCCNOCc1ccccc1 Amb32663258 [0,0,2,0,0,0|2,0,0]=4 829 B14R1.123 NCCCCNOCc1ccccc1 Amb32663272 [0,0,2,0,0,0|2,0,0]=4 830 B14R1.123 NCCCCOCCc1ccccc1 Amb7790965 [0,0,2,0,0,0|2,0,0]=4 831 B14R1.123 NNCCCCOCc1ccccc1 Amb27246241 [0,0,2,0,0,0|2,0,0]=4 832 B14R1.123 OCCCCCCCc1ccccc1 Amb10807513 [0,0,2,0,0,0|2,0,0]=4 833 B14R1.171 CNCC(CCOC)c1ccccc1 Amb33133443 [0,0,2,0,0,0|1,0,0]=3 834 B14R1.494 CCCC(Cc1ccccc1)NCC Amb19050333 [0,0,2,0,0,0|2,0,0]=4 835 B14R1.494 CCNC(COC)Cc1ccccc1 Amb19051272 [0,0,2,0,0,0|2,0,0]=4 836 B14R1.1031 CCC(Cc1ccccc1)C(C)CN Amb33735114 [0,0,2,0,0,0|2,0,0]=4 837 B14R1.1031 CCC(Cc1ccccc1)C(C)CO Amb33749675 [0,0,2,0,0,0|2,0,0]=4 838 B14R1.1031 CCC(Cc1ccccc1)[C@@H](C)CN Amb33729623 [0,0,2,0,0,0|2,0,0]=4 839 B14R1.1031 CCC(Cc1ccccc1)[C@@H](C)CO Amb33747164 [0,0,2,0,0,0|2,0,0]=4 840 B14R1.1031 CCC(Cc1ccccc1)[C@H](C)CN Amb33727648 [0,0,2,0,0,0|2,0,0]=4 841 B14R1.1031 CCC(Cc1ccccc1)[C@H](C)CO Amb33744413 [0,0,2,0,0,0|2,0,0]=4 842 B14R1.391 CCN(CC)C(CN)c1ccccc1 Amb9723113 [0,0,2,0,0,0|1,0,0]=3 843 B14R1.391 CCN(CC)C(CN)c1ccncc1 Amb17143135 [0,0,2,0,0,0|2,0,0]=4 844 B14R1.546 CCC(CC)NCCc1ccccc1 Amb22587067 [0,0,2,0,0,0|0,0,0]=2 845 B14R1.546 CCC(CC)NCCc1ccccc1 Amb6695502 [0,0,2,0,0,0|0,0,0]=2 846 B14R1.546 CCC(CC)NCCc1ccccn1 Amb6694426 [0,0,2,0,0,0|1,0,0]=3 847 B14R1.546 CCC(CO)NCCc1ccccc1 Amb6735058 [0,0,2,0,0,0|1,0,0]=3 848 B14R1.546 OCC(CO)NCCc1ccccc1 Amb33362988 [0,0,2,0,0,0|2,0,0]=4 849 B16R3.1791 c1ccc(C2CNC(C3CC3)C2)cc1 Amb27233133 [0,0,1,1,0,0|0,0,0]=2 850 B16R3.2271 OC1C[C@@H]2C[C@H](c3ccccc3)[C@H]1C2 Amb27653140 [0,0,1,1,0,0|2,0,0]=4 851 B16R3.2279 ClC1CC2CCC1(c3ccccc3)C2 Amb27166518 [0,0,1,1,0,0|2,0,0]=4 852 B16R3.2279 Cl[C@@H]1C[C@H]2CC[C@]1(c3ccccc3)C2 Amb27215380 [0,0,1,1,0,0|2,0,0]=4 853 B16R3.2279 OC1CC2CCC1(c3ccccc3)C2 Amb27946859 [0,0,1,1,0,0|2,0,0]=4 854 B16R3.2279 O[C@H]1C[C@H]2CC[C@@]1(c3ccccc3)C2 Amb28435718 [0,0,1,1,0,0|2,0,0]=4 855 B16R3.5766 BrCC1C2CCC1(c3ccccc3)C2 Amb33100822 [0,0,1,1,0,0|2,0,0]=4 856 B16R3.5766 ClCC1C2CCC1(c3ccccc3)C2 Amb33100811 [0,0,1,1,0,0|2,0,0]=4 857 B16R3.5766 NCC1C2CCC1(c3ccccc3)C2 Amb33100825 [0,0,1,1,0,0|2,0,0]=4 858 B16R3.5766 OCC1C2CCC1(c3ccccc3)C2 Amb33100824 [0,0,1,1,0,0|2,0,0]=4 859 B16R3.5988 c1ccc(C2CC3CNCC3C2)cc1 Amb27210952 [0,0,1,1,0,0|2,0,0]=4 860 B16R3.6001 c1ccc([C@@H]2C[C@H]3CCC[C@@H]2N3)nc1 Amb28052189 [0,0,1,1,0,0|1,0,0]=3 861 B16R3.62912 c1ccc(C23CCC(CNC2)C3)cc1 Amb27445623 [0,0,1,1,0,0|2,0,0]=4 862 B16R3.62912 c1ccc(C23CCCC(C2)NC3)cc1 Amb28435195 [0,0,1,1,0,0|0,0,0]=2 863 B16R3.1786 c1ccc(C2CNCC23CCC3)cc1 Amb26012611 [0,0,1,1,0,0|0,0,0]=2 864 B16R3.1786 c1ccc(C2CNCC23CCC3)cc1 Amb28920891 [0,0,1,1,0,0|0,0,0]=2 865 B16R3.1787 c1ccc(C2CCNC2C3CC3)cc1 Amb27254424 [0,0,1,1,0,0|2,0,0]=4 866 B16R3.1787 c1ccc(C2NCCC2C3CC3)cc1 Amb19071057 [0,0,1,1,0,0|2,0,0]=4 867 B16R3.1812 c1ccc2c(c1)NCCC3CCCC23 Amb27441684 [0,0,1,1,0,0|2,0,0]=4 868 B16R3.3283 OC1CC2CC1CC2c3ccccc3 Amb24592530 [0,0,1,1,0,0|2,0,0]=4 869 B16R3.3283 O[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2c3ccccc3 Amb27208206 [0,0,1,1,0,0|2,0,0]=4 870 B16R3.3283 O[C@H]1C[C@H]2C[C@@H]1C[C@@H]2c3ccccc3 Amb27978238 [0,0,1,1,0,0|2,0,0]=4 871 B16R3.3555 O[C@H]1C[C@@H]2CC[C@H]1C2c3ccccc3 Amb27195859 [0,0,1,1,0,0|2,0,0]=4 872 B16R3.5908 OCC1c2ccccc2C3CCCC13 Amb27665411 [0,0,1,1,0,0|2,0,0]=4 873 B16R3.5980 c1ccc(C23CCCC2NCC3)cc1 Amb18649680 [0,0,1,1,0,0|2,0,0]=4 874 B16R3.5980 c1ccc(C23CNCC2COC3)cc1 Amb32683386 [0,0,1,1,0,0|1,0,0]=3 875 B16R3.5980 c1ccc(C23CNCC2COC3)cc1 Amb32683387 [0,0,1,1,0,0|1,0,0]=3 876 B16R3.5980 c1ccc([C@]23CNC[C@H]2COC3)cc1 Amb32683421 [0,0,1,1,0,0|1,0,0]=3 877 B16R3.5980 c1ccc([C@]23CNC[C@H]2COC3)cc1 Amb32683515 [0,0,1,1,0,0|1,0,0]=3 878 B16R3.5985 c1ccc([C@H]2[C@@H]3CC[C@H]2CNC3)cc1 Amb27244832 [0,0,1,1,0,0|2,0,0]=4 879 B16R3.13490 OC1CC2CCCC2c3ccccc31 Amb27598515 [0,0,1,1,0,0|2,0,0]=4 880 B16R3.13490 OC1C[C@@H]2CCC[C@H]2c3ccccc31 Amb28064114 [0,0,1,1,0,0|2,0,0]=4 881 B16R3.13490 OC1C[C@H]2CCC[C@H]2c3ccccc31 Amb27970597 [0,0,1,1,0,0|2,0,0]=4 882 B16R3.5972 c1ccc(CN2CCCC23CC3)cc1 Amb24473079 [0,0,1,1,0,0|2,0,0]=4 883 B16R3.6018 c1ccc(CC2NC3CCC2C3)cc1 Amb18821343 [0,0,1,1,0,0|2,0,0]=4 884 B16R3.6018 c1ccc(CN2CC3CCC2C3)cc1 Amb32753670 [0,0,1,1,0,0|2,0,0]=4 885 B16R3.6018 c1ccc(NC2CC3CCC2C3)cc1 Amb19046676 [0,0,1,1,0,0|2,0,0]=4 886 B16R3.6018 c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 Amb27201679 [0,0,1,1,0,0|2,0,0]=4 887 B16R3.6018 c1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 Amb28132827 [0,0,1,1,0,0|2,0,0]=4 888 B16R3.6018 c1ccc(OC2CC3CCC2C3)cc1 Amb27413259 [0,0,1,1,0,0|2,0,0]=4 889 B16R3.8 c1ccc2c(c1)CCC2C3CCCN3 Amb33146586 [0,0,1,1,0,0|2,0,0]=4 890 B16R3.8 c1ccc2c(c1)CCC2C3CCNC3 Amb27647839 [0,0,1,1,0,0|2,0,0]=4 891 B16R3.8 c1ccc2c(c1)NCC2C3CCCC3 Amb27247172 [0,0,1,1,0,0|0,0,0]=2 892 B16R3.8 c1ccc2c(c1)NCC2N3CCCC3 Amb26017946 [0,0,1,1,0,0|1,0,0]=3 893 B16R3.1739 NC1C(c2ccccc2)[C@@H]3CC[C@H]1C3 Amb27781125 [0,0,1,1,0,0|0,0,0]=2 894 B16R3.1739 NC1C(c2ccccc2)[C@H]3CC[C@@H]1C3 Amb28346263 [0,0,1,1,0,0|0,0,0]=2 895 B16R3.1739 NC1C2C=CC(C2)C1c3ccccc3 Amb22446451 [0,0,1,1,0,0|0,0,2]=4 896 B16R3.1739 NC1C2C=CC(C2)C1c3ccccc3 Amb24119072 [0,0,1,1,0,0|0,0,2]=4 897 B16R3.1739 NC1C2CCC(C2)C1c3ccccc3 Amb22731668 [0,0,1,1,0,0|0,0,0]=2 898 B16R3.1739 NC1C2CCC(C2)C1c3ccccc3 Amb33331022 [0,0,1,1,0,0|0,0,0]=2 899 B16R3.1739 NC1C2CCN(C2)C1c3ccccc3 Amb27747859 [0,0,1,1,0,0|1,0,0]=3 900 B16R3.1739 N[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1c3ccccc3 Amb33339188 [0,0,1,1,0,0|0,0,2]=4 901 B16R3.1739 N[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1c3ccccc3 Amb33339202 [0,0,1,1,0,0|0,0,2]=4 902 B16R3.1739 N[C@@H]1[C@H]2CCN(C2)[C@@H]1c3ccccc3 Amb27441698 [0,0,1,1,0,0|1,0,0]=3 903 B16R3.1739 N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1c3ccccc3 Amb28436683 [0,0,1,1,0,0|0,0,0]=2 904 B16R3.1739 N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c3ccccc3 Amb27250659 [0,0,1,1,0,0|0,0,0]=2 905 B16R3.1739 N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c3ccccc3 Amb28195313 [0,0,1,1,0,0|0,0,2]=4 906 B16R3.1739 N[C@H]1[C@H]2CCN(C2)[C@@H]1c3ccccc3 Amb28368217 [0,0,1,1,0,0|1,0,0]=3 907 B16R3.1739 N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c3ccccc3 Amb27420051 [0,0,1,1,0,0|0,0,0]=2 908 B16R3.1739 O[C@@H]1C2CCC(C2)[C@@H]1c3ccccc3 Amb28455165 [0,0,1,1,0,0|1,0,0]=3 909 B16R3.1739 O[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c3ccccc3 Amb28248728 [0,0,1,1,0,0|1,0,0]=3 910 B16R3.1798 c1ccc(C2NCC3CCC2C3)cc1 Amb27259518 [0,0,1,1,0,0|2,0,0]=4 911 B16R3.5981 c1ccc(C2NCC23CCCC3)cc1 Amb27775936 [0,0,1,1,0,0|2,0,0]=4 912 B16R3.5992 c1ccc(C2(C3CCCN3)CC2)cc1 Amb19046678 [0,0,1,1,0,0|2,0,0]=4 913 B16R3.5992 c1ccc(C2(C3CCNC3)CC2)cc1 Amb25736355 [0,0,1,1,0,0|2,0,0]=4 914 B16R3.2169 OC1CCC[C@]12C[C@H]2c3ccccc3 Amb27805324 [0,0,1,1,0,0|1,0,0]=3 915 B16R3.2169 O[C@@H]1CCC[C@]12OC2c3ccccc3 Amb27207751 [0,0,1,1,0,0|2,0,0]=4 916 B16R3.2169 O[C@H]1CCC[C@]12OC2c3ccccc3 Amb27448887 [0,0,1,1,0,0|2,0,0]=4 917 B16R3.2753 NC1[C@H]2CC[C@H]1[C@H](O)c3ccccc32 Amb28051775 [0,0,1,1,0,0|1,0,0]=3 918 B16R3.2753 N[C@@H]1[C@H]2CC[C@@H]1[C@@H](O)c3ccccc32 Amb27965470 [0,0,1,1,0,0|1,0,0]=3 919 B16R3.2753 OC1C2CCC1[C@@H](O)c3ccccc32 Amb27662310 [0,0,1,1,0,0|2,0,0]=4 920 B16R3.5224 O[C@@H]1[C@H]2CC[C@@H]1[C@@H](c3ccccc3)C2 Amb27853209 [0,0,1,1,0,0|1,0,0]=3 921 B16R3.66132 BrC(c1ccccc1)C23CCCC2C3 Amb30017471 [0,0,1,1,0,0|2,0,0]=4 922 B16R3.66132 ClC(c1ccccc1)C23CCCC2C3 Amb30017465 [0,0,1,1,0,0|2,0,0]=4 923 B16R3.66132 NC(c1ccccc1)C23CCCC2C3 Amb35722801 [0,0,1,1,0,0|2,0,0]=4 924 B16R3.66132 OC(c1ccccc1)C23CCCC2C3 Amb35712316 [0,0,1,1,0,0|2,0,0]=4 925 B16R3.66132 OC(c1ccccc1)C23CCCC2O3 Amb27588938 [0,0,1,1,0,0|2,0,0]=4 926 B16R3.1783 c1ccc(C2CC3CCNCC32)cc1 Amb27667013 [0,0,1,1,0,0|2,0,0]=4 927 B16R3.1783 c1ccc(C2CC3CCNCC32)cc1 Amb32651725 [0,0,1,1,0,0|2,0,0]=4 928 B16R3.1783 c1ccc([C@@H]2C[C@H]3CCNC[C@H]32)cc1 Amb27783104 [0,0,1,1,0,0|2,0,0]=4 929 B16R3.1783 c1ccc([C@H]2C[C@@H]3CCNC[C@H]23)cc1 Amb33033212 [0,0,1,1,0,0|2,0,0]=4 930 B16R3.1783 c1ccc([C@H]2C[C@@H]3CCNC[C@H]23)cc1 Amb33189285 [0,0,1,1,0,0|2,0,0]=4 931 B16R3.5983 c1ccc(C23CCCCC2CN3)cc1 Amb20668951 [0,0,1,1,0,0|2,0,0]=4 932 B16R3.1777 c1ccc2c(c1)CC2NC3CCSC3 Amb27396552 [0,0,1,1,0,0|1,0,0]=3 933 B16R3.1782 c1ccc([C@@H]2C[C@H]2C3CCNC3)cc1 Amb28053407 [0,0,1,1,0,0|2,0,0]=4 934 B16R3.1785 c1ccc(NCC2C3CCCC32)cc1 Amb28047062 [0,0,1,1,0,0|2,0,0]=4 935 B16R3.1811 c1ccc2c(c1)CCCC23CCNC3 Amb19071040 [0,0,1,1,0,0|2,0,0]=4 936 B16R3.1811 c1ccc2c(c1)CNCC23CCCC3 Amb2606137 [0,0,1,1,0,0|2,0,0]=4 937 B16R3.1811 c1ccc2c(c1)CNCC23CCCC3 Amb28750761 [0,0,1,1,0,0|2,0,0]=4 938 B16R3.5976 c1ccc(NC2C[C@H]3CCC[C@@H]23)cc1 Amb32698088 [0,0,1,1,0,0|2,0,0]=4 939 B16R3.2620 OC1CCC2c3ccccc3CCC12 Amb28189467 [0,0,1,1,0,0|2,0,0]=4 940 B16R3.2620 O[C@H]1CC[C@H]2c3ccccc3CC[C@@H]12 Amb27484791 [0,0,1,1,0,0|2,0,0]=4 941 B16R3.30540 C[C@H]1[C@H]2[C@H](O)OC[C@@]12c3ccccc3 Amb27443625 [0,0,1,1,0,0|2,0,0]=4 942 B16R3.30987 O=C1NCC2(c3ccccc3)CCC12 Amb27864439 [0,0,1,1,0,0|1,0,1]=4 943 B14R2.41 CCNC1CC(c2cccnc2)C1 Amb27648847 [0,0,1,0,1,0|2,0,0]=4 944 B14R2.41 CNCC1CC(c2ccccc2)C1 Amb27806488 [0,0,1,0,1,0|1,0,0]=3 945 B14R2.41 ClCCN1CC(c2ccccc2)C1 Amb28458512 [0,0,1,0,1,0|2,0,0]=4 946 B14R2.245 CCCC1COCC1n2cccc2 Amb35636440 [0,0,1,0,1,0|2,0,0]=4 947 B14R2.78 NCC1CCC1Cc2ccccc2 Amb27609004 [0,0,1,0,1,0|2,0,0]=4 948 B14R2.83 CNC1CCCC1Cc2ccns2 Amb29870858 [0,0,1,0,1,0|2,0,0]=4 949 B14R2.83 CNC1CCCC1Cc2ccoc2 Amb27984344 [0,0,1,0,1,0|1,0,0]=3 950 B14R2.83 CNC1CCCC1Cc2nccs2 Amb27265507 [0,0,1,0,1,0|2,0,0]=4 951 B14R2.83 CNC1COCC1Cc2cccs2 Amb35608440 [0,0,1,0,1,0|2,0,0]=4 952 B14R2.83 CNC1COCC1Cc2ccsc2 Amb35608443 [0,0,1,0,1,0|2,0,0]=4 953 B14R2.83 CNC1CSCC1Cc2cccs2 Amb27753336 [0,0,1,0,1,0|2,0,0]=4 954 B14R2.83 CNC1CSCC1Cc2ccoc2 Amb27598887 [0,0,1,0,1,0|2,0,0]=4 955 B14R2.1259 CCC(C1CCCC1)n2cccc2 Amb27200987 [0,0,1,0,1,0|2,0,0]=4 956 B14R2.1259 NCC(c1ccco1)C2CCCC2 Amb17087394 [0,0,1,0,1,0|1,0,0]=3 957 B14R2.1259 NCC(c1ccco1)N2CCCC2 Amb1102648 [0,0,1,0,1,0|2,0,0]=4 958 B14R2.1259 NCC(c1cccs1)C2CCCC2 Amb17087375 [0,0,1,0,1,0|1,0,0]=3 959 B14R2.1259 NCC(c1cccs1)N2CCCC2 Amb436489 [0,0,1,0,1,0|2,0,0]=4 960 B14R2.1259 NCC(c1ccoc1)N2CCCC2 Amb27205851 [0,0,1,0,1,0|2,0,0]=4 961 B14R2.1259 NCC(c1ccsc1)N2CCCC2 Amb1131425 [0,0,1,0,1,0|2,0,0]=4 962 B14R2.1259 NNC(c1ccoc1)C2CCCC2 Amb27874805 [0,0,1,0,1,0|2,0,0]=4 963 B14R2.1259 OCC(C1CCCC1)n2cccc2 Amb27212550 [0,0,1,0,1,0|2,0,0]=4 964 B14R2.2850 NCC(c1ccccc1)C2CCC2 Amb17087352 [0,0,1,0,1,0|0,0,0]=2 965 B14R2.2850 NCC(c1ccccn1)C2CCC2 Amb24659876 [0,0,1,0,1,0|1,0,0]=3 966 B14R2.2850 NCC(c1ccccn1)N2CCC2 Amb27188351 [0,0,1,0,1,0|2,0,0]=4 967 B14R2.2850 NCC(c1cccnc1)C2CCC2 Amb25135124 [0,0,1,0,1,0|1,0,0]=3 968 B14R2.2850 NCC(c1ccncc1)C2CCC2 Amb25801993 [0,0,1,0,1,0|1,0,0]=3 969 B14R2.2850 NNC(c1ccccc1)C2CSC2 Amb35697126 [0,0,1,0,1,0|2,0,0]=4 970 B14R2.2850 NNC(c1ccccn1)C2CCC2 Amb28317037 [0,0,1,0,1,0|2,0,0]=4 971 B14R2.2850 O=CC(c1ccccc1)C2CCC2 Amb25839748 [0,0,1,0,1,0|1,0,1]=4 972 B14R2.2850 OCC(c1ccccc1)C2CCC2 Amb27664520 [0,0,1,0,1,0|1,0,0]=3 973 B14R2.308 NC1CCCC1C(O)c2ccco2 Amb18824113 [0,0,1,0,1,0|2,0,0]=4 974 B14R2.308 NC1CCCC1C(O)c2cccs2 Amb18188343 [0,0,1,0,1,0|2,0,0]=4 975 B14R2.308 NC1CCCC1C(O)c2ccoc2 Amb35622558 [0,0,1,0,1,0|2,0,0]=4 976 B14R2.308 NC1CCCC1C(O)c2ccsc2 Amb35622556 [0,0,1,0,1,0|2,0,0]=4 977 B14R2.308 N[C@@H]1CCC[C@@H]1C(O)c2ccco2 Amb30039546 [0,0,1,0,1,0|2,0,0]=4 978 B14R2.308 N[C@@H]1CCC[C@@H]1C(O)c2cccs2 Amb30039521 [0,0,1,0,1,0|2,0,0]=4 979 B14R2.308 N[C@@H]1CCC[C@@H]1C(O)c2ccoc2 Amb30039536 [0,0,1,0,1,0|2,0,0]=4 980 B14R2.308 N[C@@H]1CCC[C@@H]1C(O)c2ccsc2 Amb30039534 [0,0,1,0,1,0|2,0,0]=4 981 B14R2.335 CN(c1ccccc1)C2CCC2O Amb27220179 [0,0,1,0,1,0|2,0,0]=4 982 B14R2.1253 C1=C(c2ccccc2)CCCCC1 Amb4001532 [0,0,1,0,1,0|0,0,2]=4 983 B14R2.1253 C1=CC(c2ccccc2)CCCC1 Amb4035375 [0,0,1,0,1,0|0,0,2]=4 984 B14R2.1253 c1cc(C2CCCCCN2)ccn1 Amb2234754 [0,0,1,0,1,0|1,0,0]=3 985 B14R2.1253 c1cc(C2CCCNCC2)ccn1 Amb28254766 [0,0,1,0,1,0|2,0,0]=4 986 B14R2.1253 c1cc(C2CCCNCC2)ccn1 Amb32680379 [0,0,1,0,1,0|2,0,0]=4 987 B14R2.1253 c1ccc(C2=NCCCCN2)cc1 Amb4011404 [0,0,1,0,1,0|1,0,1]=4 988 B14R2.1253 c1ccc(C2CCCCCC2)cc1 Amb27954588 [0,0,1,0,1,0|0,0,0]=2 989 B14R2.1253 c1ccc(C2CCCCCN2)cc1 Amb10609226 [0,0,1,0,1,0|0,0,0]=2 990 B14R2.1253 c1ccc(C2CCCCCN2)cc1 Amb2234659 [0,0,1,0,1,0|0,0,0]=2 991 B14R2.1253 c1ccc(C2CCCCCN2)nc1 Amb2234657 [0,0,1,0,1,0|1,0,0]=3 992 B14R2.1253 c1ccc(C2CCCCNC2)cc1 Amb21937009 [0,0,1,0,1,0|0,0,0]=2 993 B14R2.1253 c1ccc(C2CCCCNC2)nc1 Amb27466206 [0,0,1,0,1,0|1,0,0]=3 994 B14R2.1253 c1ccc(C2CCCNCC2)cc1 Amb31201005 [0,0,1,0,1,0|1,0,0]=3 995 B14R2.1253 c1ccc(C2CCCNCC2)cc1 Amb33529249 [0,0,1,0,1,0|1,0,0]=3 996 B14R2.1253 c1ccc(C2CCCNCC2)cc1 Amb8503451 [0,0,1,0,1,0|1,0,0]=3 997 B14R2.1253 c1ccc(C2CCNCCN2)cc1 Amb27974122 [0,0,1,0,1,0|1,0,0]=3 998 B14R2.1253 c1ccc(C2CCNCCO2)cc1 Amb25859677 [0,0,1,0,1,0|2,0,0]=4 999 B14R2.1253 c1ccc(C2CCNCCO2)cc1 Amb31156058 [0,0,1,0,1,0|2,0,0]=4 1000 B14R2.1253 c1ccc(C2CCNCCS2)cc1 Amb31195857 [0,0,1,0,1,0|2,0,0]=4 1001 B14R2.1253 c1ccc(C2CCOCCN2)cc1 Amb26520165 [0,0,1,0,1,0|1,0,0]=3 1002 B14R2.1253 c1ccc(C2CNCCCN2)cc1 Amb2696383 [0,0,1,0,1,0|1,0,0]=3 1003 B14R2.1253 c1ccc(C2CNCCCO2)cc1 Amb20668525 [0,0,1,0,1,0|1,0,0]=3 1004 B14R2.1253 c1ccc(C2CNCCCO2)cc1 Amb9358450 [0,0,1,0,1,0|1,0,0]=3 1005 B14R2.1253 c1ccc(C2CNCCOC2)cc1 Amb18065703 [0,0,1,0,1,0|1,0,0]=3 1006 B14R2.1253 c1ccc(C2CNCCOC2)nc1 Amb27780020 [0,0,1,0,1,0|2,0,0]=4 1007 B14R2.1253 c1ccc(C2COCCCN2)nc1 Amb27866729 [0,0,1,0,1,0|2,0,0]=4 1008 B14R2.1253 c1ccc(C2CSCCCN2)cc1 Amb25341704 [0,0,1,0,1,0|1,0,0]=3 1009 B14R2.1253 c1ccc(N2CCCCCC2)cc1 Amb26611612 [0,0,1,0,1,0|1,0,0]=3 1010 B14R2.1253 c1ccc(N2CCCCCC2)nc1 Amb10819509 [0,0,1,0,1,0|2,0,0]=4 1011 B14R2.1253 c1ccc(N2CCCNCC2)cc1 Amb10602474 [0,0,1,0,1,0|2,0,0]=4 1012 B14R2.1253 c1ccc(N2CCCNCC2)cc1 Amb13949071 [0,0,1,0,1,0|2,0,0]=4 1013 B14R2.1253 c1ccc(N2CCCOCC2)cc1 Amb22750165 [0,0,1,0,1,0|2,0,0]=4 1014 B14R2.1253 c1ccc([C@H]2CCCCCN2)cc1 Amb27655522 [0,0,1,0,1,0|0,0,0]=2 1015 B14R2.1253 c1ccc([C@H]2CCCNCC2)cc1 Amb27856683 [0,0,1,0,1,0|1,0,0]=3 1016 B14R2.1253 c1cnc(C2CCCCCN2)cn1 Amb4135058 [0,0,1,0,1,0|2,0,0]=4 1017 B14R2.1253 c1cncc(C2CCCCCN2)c1 Amb3788257 [0,0,1,0,1,0|1,0,0]=3 1018 B14R2.1253 c1cncc([C@H]2CNCCOC2)c1 Amb27487874 [0,0,1,0,1,0|2,0,0]=4 1019 B14R2.1253 c1cnnc(C2CCCCCN2)c1 Amb32416139 [0,0,1,0,1,0|2,0,0]=4 1020 B14R2.1253 c1ncc(C2CCCCNC2)cn1 Amb27856363 [0,0,1,0,1,0|2,0,0]=4 1021 B14R2.101 C1=C(CCc2ccccc2)CCC1 Amb28288576 [0,0,1,0,1,0|0,0,2]=4 1022 B14R2.101 C1=CCC(NCc2ccccc2)C1 Amb27414910 [0,0,1,0,1,0|0,0,2]=4 1023 B14R2.101 C1=C[C@H](NCc2ccccc2)CC1 Amb27608598 [0,0,1,0,1,0|0,0,2]=4 1024 B14R2.101 c1cc(CCC2CCCN2)ccn1 Amb8010081 [0,0,1,0,1,0|2,0,0]=4 1025 B14R2.101 c1cc(CCN2CCCC2)ccn1 Amb590690 [0,0,1,0,1,0|2,0,0]=4 1026 B14R2.101 c1cc(CNC2CCCC2)ccn1 Amb6356058 [0,0,1,0,1,0|1,0,0]=3 1027 B14R2.101 c1cc(CNC2CCCC2)ccn1 Amb6767951 [0,0,1,0,1,0|1,0,0]=3 1028 B14R2.101 c1cc(CNC2CCCC2)ncn1 Amb18300828 [0,0,1,0,1,0|2,0,0]=4 1029 B14R2.101 c1cc(CNC2CCOC2)ccn1 Amb28242179 [0,0,1,0,1,0|2,0,0]=4 1030 B14R2.101 c1cc(CNC2CCSC2)ccn1 Amb6729581 [0,0,1,0,1,0|2,0,0]=4 1031 B14R2.101 c1cc(CSC2CCCC2)ccn1 Amb27853668 [0,0,1,0,1,0|2,0,0]=4 1032 B14R2.101 c1ccc(CCC2=NCCC2)cc1 Amb17619263 [0,0,1,0,1,0|1,0,1]=4 1033 B14R2.101 c1ccc(CCC2CCCN2)cc1 Amb10609225 [0,0,1,0,1,0|1,0,0]=3 1034 B14R2.101 c1ccc(CCC2CCCN2)cc1 Amb3788238 [0,0,1,0,1,0|1,0,0]=3 1035 B14R2.101 c1ccc(CCC2CCCN2)nc1 Amb8010080 [0,0,1,0,1,0|2,0,0]=4 1036 B14R2.101 c1ccc(CCC2CCNC2)cc1 Amb3940961 [0,0,1,0,1,0|1,0,0]=3 1037 B14R2.101 c1ccc(CCC2CCNC2)nc1 Amb27404207 [0,0,1,0,1,0|2,0,0]=4 1038 B14R2.101 c1ccc(CCC2NCCN2)cc1 Amb28286178 [0,0,1,0,1,0|2,0,0]=4 1039 B14R2.101 c1ccc(CCN2CCCN2)cc1 Amb27779956 [0,0,1,0,1,0|2,0,0]=4 1040 B14R2.101 c1ccc(CC[C@@H]2CCCN2)cc1 Amb27647579 [0,0,1,0,1,0|1,0,0]=3 1041 B14R2.101 c1ccc(CC[C@@H]2CCCN2)nc1 Amb26590908 [0,0,1,0,1,0|2,0,0]=4 1042 B14R2.101 c1ccc(CC[C@@H]2CCCN2)nc1 Amb33456233 [0,0,1,0,1,0|2,0,0]=4 1043 B14R2.101 c1ccc(CC[C@@H]2CCNC2)cc1 Amb27607109 [0,0,1,0,1,0|1,0,0]=3 1044 B14R2.101 c1ccc(CC[C@H]2CCCN2)nc1 Amb33456310 [0,0,1,0,1,0|2,0,0]=4 1045 B14R2.101 c1ccc(CC[C@H]2CCCN2)nc1 Amb33496169 [0,0,1,0,1,0|2,0,0]=4 1046 B14R2.101 c1ccc(CC[C@H]2CCNC2)cc1 Amb28243392 [0,0,1,0,1,0|1,0,0]=3 1047 B14R2.101 c1ccc(CNC2CCCC2)cc1 Amb1681062 [0,0,1,0,1,0|0,0,0]=2 1048 B14R2.101 c1ccc(CNC2CCCC2)cc1 Amb6542574 [0,0,1,0,1,0|0,0,0]=2 1049 B14R2.101 c1ccc(CNC2CCCC2)nc1 Amb6356057 [0,0,1,0,1,0|1,0,0]=3 1050 B14R2.101 c1ccc(CNC2CCNC2)cc1 Amb22011484 [0,0,1,0,1,0|1,0,0]=3 1051 B14R2.101 c1ccc(CNC2CCNC2)cc1 Amb28139195 [0,0,1,0,1,0|1,0,0]=3 1052 B14R2.101 c1ccc(CNC2CCNC2)cc1 Amb34155054 [0,0,1,0,1,0|1,0,0]=3 1053 B14R2.101 c1ccc(CNC2CCOC2)cc1 Amb22490250 [0,0,1,0,1,0|1,0,0]=3 1054 B14R2.101 c1ccc(CNC2CCOC2)nc1 Amb31198025 [0,0,1,0,1,0|2,0,0]=4 1055 B14R2.101 c1ccc(CNC2CCSC2)cc1 Amb6687355 [0,0,1,0,1,0|1,0,0]=3 1056 B14R2.101 c1ccc(CNC2CCSC2)nc1 Amb6699043 [0,0,1,0,1,0|2,0,0]=4 1057 B14R2.101 c1ccc(CN[C@@H]2CCNC2)cc1 Amb34913920 [0,0,1,0,1,0|1,0,0]=3 1058 B14R2.101 c1ccc(CN[C@H]2CCNC2)cc1 Amb34913501 [0,0,1,0,1,0|1,0,0]=3 1059 B14R2.101 c1ccc(COC2CCCC2)cc1 Amb21856199 [0,0,1,0,1,0|1,0,0]=3 1060 B14R2.101 c1ccc(COC2CCCO2)cc1 Amb22752558 [0,0,1,0,1,0|2,0,0]=4 1061 B14R2.101 c1ccc(COC2CCNC2)cc1 Amb21955016 [0,0,1,0,1,0|2,0,0]=4 1062 B14R2.101 c1ccc(COC2CCNC2)cc1 Amb6357653 [0,0,1,0,1,0|2,0,0]=4 1063 B14R2.101 c1ccc(CO[C@@H]2CCNC2)cc1 Amb10844687 [0,0,1,0,1,0|2,0,0]=4 1064 B14R2.101 c1ccc(CO[C@@H]2CCNC2)cc1 Amb17942800 [0,0,1,0,1,0|2,0,0]=4 1065 B14R2.101 c1ccc(CO[C@H]2CCNC2)cc1 Amb27753363 [0,0,1,0,1,0|2,0,0]=4 1066 B14R2.101 c1ccc(CO[C@H]2CCNC2)cc1 Amb8631445 [0,0,1,0,1,0|2,0,0]=4 1067 B14R2.101 c1ccc(CSC2CCNC2)cc1 Amb18988567 [0,0,1,0,1,0|2,0,0]=4 1068 B14R2.101 c1ccc(CSC2CCNC2)cc1 Amb35745751 [0,0,1,0,1,0|2,0,0]=4 1069 B14R2.101 c1ccc(CSC2CCOC2)cc1 Amb27586140 [0,0,1,0,1,0|2,0,0]=4 1070 B14R2.101 c1ccc(NCC2CCCC2)cc1 Amb17233131 [0,0,1,0,1,0|1,0,0]=3 1071 B14R2.101 c1ccc(NCC2CCCN2)cc1 Amb17226586 [0,0,1,0,1,0|2,0,0]=4 1072 B14R2.101 c1ccc(NCC2CCCN2)cc1 Amb2236197 [0,0,1,0,1,0|2,0,0]=4 1073 B14R2.101 c1ccc(NCC2CCOC2)cc1 Amb9739162 [0,0,1,0,1,0|2,0,0]=4 1074 B14R2.101 c1ccc(NCC2CCSC2)cc1 Amb28365825 [0,0,1,0,1,0|2,0,0]=4 1075 B14R2.101 c1ccc(NC[C@@H]2CCNC2)cc1 Amb28132797 [0,0,1,0,1,0|2,0,0]=4 1076 B14R2.101 c1ccc(NC[C@H]2CCCN2)cc1 Amb6357867 [0,0,1,0,1,0|2,0,0]=4 1077 B14R2.101 c1ccc(NC[C@H]2CCNC2)cc1 Amb35743335 [0,0,1,0,1,0|2,0,0]=4 1078 B14R2.101 c1ccc(NNC2CCCC2)cc1 Amb28061308 [0,0,1,0,1,0|1,0,0]=3 1079 B14R2.101 c1ccc(OCC2CCCC2)nc1 Amb27589473 [0,0,1,0,1,0|2,0,0]=4 1080 B14R2.101 c1ccc(OCC2CCCN2)cc1 Amb32662677 [0,0,1,0,1,0|2,0,0]=4 1081 B14R2.101 c1ccc(OCC2CCCN2)cc1 Amb4135004 [0,0,1,0,1,0|2,0,0]=4 1082 B14R2.101 c1ccc(OCC2CCNC2)cc1 Amb18296501 [0,0,1,0,1,0|2,0,0]=4 1083 B14R2.101 c1ccc(OCC2CCNC2)cc1 Amb21955125 [0,0,1,0,1,0|2,0,0]=4 1084 B14R2.101 c1ccc(OC[C@@H]2CCCN2)cc1 Amb17051823 [0,0,1,0,1,0|2,0,0]=4 1085 B14R2.101 c1ccc(OC[C@@H]2CCCN2)cc1 Amb22225505 [0,0,1,0,1,0|2,0,0]=4 1086 B14R2.101 c1ccc(OC[C@H]2CCCN2)cc1 Amb24077505 [0,0,1,0,1,0|2,0,0]=4 1087 B14R2.101 c1ccc(OC[C@H]2CCCN2)cc1 Amb27227958 [0,0,1,0,1,0|2,0,0]=4 1088 B14R2.101 c1ccc(PCC2CCCN2)cc1 Amb27462206 [0,0,1,0,1,0|2,0,0]=4 1089 B14R2.101 c1ccc(SCC2CCCC2)cc1 Amb27188649 [0,0,1,0,1,0|1,0,0]=3 1090 B14R2.101 c1ccc(SCC2CCCN2)cc1 Amb18985019 [0,0,1,0,1,0|2,0,0]=4 1091 B14R2.101 c1ccc(SCC2CCNC2)cc1 Amb18989013 [0,0,1,0,1,0|2,0,0]=4 1092 B14R2.101 c1ccc(SC[C@H]2CCCN2)cc1 Amb27759076 [0,0,1,0,1,0|2,0,0]=4 1093 B14R2.101 c1cncc(CCC2CCCN2)c1 Amb17400580 [0,0,1,0,1,0|2,0,0]=4 1094 B14R2.101 c1cncc(CNC2CCCC2)c1 Amb6336170 [0,0,1,0,1,0|1,0,0]=3 1095 B14R2.101 c1cncc(CNC2CCCC2)c1 Amb6767948 [0,0,1,0,1,0|1,0,0]=3 1096 B14R2.101 c1cncc(CNC2CCOC2)c1 Amb27434328 [0,0,1,0,1,0|2,0,0]=4 1097 B14R2.101 c1cncc(OCC2CCCC2)c1 Amb27474082 [0,0,1,0,1,0|2,0,0]=4 1098 B14R2.101 c1ncc(CNC2CCCC2)cn1 Amb18996445 [0,0,1,0,1,0|2,0,0]=4 1099 B14R2.322 c1cnn(CCNC2CCCC2)c1 Amb19024654 [0,0,1,0,1,0|2,0,0]=4 1100 B14R2.322 c1csc(CCNC2CCCC2)c1 Amb6697734 [0,0,1,0,1,0|1,0,0]=3 1101 B14R2.322 c1csc(CCNC2CCCC2)n1 Amb17315497 [0,0,1,0,1,0|2,0,0]=4 1102 B14R2.322 c1csc(CCNC2CCSC2)c1 Amb6697740 [0,0,1,0,1,0|2,0,0]=4 1103 B14R2.3019 c1ccc(CCCC2CNC2)cc1 Amb32952377 [0,0,1,0,1,0|2,0,0]=4 1104 B14R2.3019 c1ccc(CCNC2CCC2)cc1 Amb18308956 [0,0,1,0,1,0|0,0,0]=2 1105 B14R2.3019 c1ccc(CCNC2CCC2)nc1 Amb18808909 [0,0,1,0,1,0|1,0,0]=3 1106 B14R2.3019 c1ccc(CCOC2CNC2)cc1 Amb19031044 [0,0,1,0,1,0|2,0,0]=4 1107 B14R2.3019 c1ccc(CNCC2CCC2)cc1 Amb6487415 [0,0,1,0,1,0|2,0,0]=4 1108 B14R2.3019 c1ccc(CONC2CNC2)cc1 Amb28201247 [0,0,1,0,1,0|2,0,0]=4 1109 B14R2.3019 c1ccc(CONC2COC2)cc1 Amb28410855 [0,0,1,0,1,0|2,0,0]=4 1110 B14R2.15 CCC1C(=O)CC1c2ccccc2 Amb27608698 [0,0,1,0,1,0|1,0,1]=4 1111 B14R2.15 CCC1C(=O)NC1c2ccccc2 Amb2388317 [0,0,1,0,1,0|1,0,1]=4 1112 B14R2.15 CCC1C(N)CC1c2ccccc2 Amb28136235 [0,0,1,0,1,0|1,0,0]=3 1113 B14R2.15 CCC1C(O)CC1c2cccnc2 Amb27878277 [0,0,1,0,1,0|2,0,0]=4 1114 B14R2.15 CC[C@@H]1C(=O)N[C@H]1c2ccccc2 Amb27640614 [0,0,1,0,1,0|1,0,1]=4 1115 B14R2.1134 CNC1CC(c2ccccc2)C1C Amb27811739 [0,0,1,0,1,0|1,0,0]=3 1116 B14R3.2933 c1ccc(C2N3CCCN23)cc1 Amb1045219 [0,0,0,0,2,0|2,0,0]=4 1117 B14R3.2933 c1ccc(N2C3CNCC32)cc1 Amb24061708 [0,0,0,0,2,0|2,0,0]=4 1118 B14R3.2933 c1cncc(C2C3CNCC32)c1 Amb28254610 [0,0,0,0,2,0|2,0,0]=4 1119 B14R3.44 c1ccc(C2NCC3CC32)cc1 Amb35826261 [0,0,0,0,2,0|2,0,0]=4 1120 B14R3.44 c1ccc(C2NCC3CC32)cc1 Amb7808795 [0,0,0,0,2,0|2,0,0]=4 1121 B14R3.44 c1ccc([C@H]2NC[C@H]3C[C@H]32)cc1 Amb28245851 [0,0,0,0,2,0|2,0,0]=4 1122 B16R2.7 CCCC1CCC(c2ccccc2)CC1 Amb8389384 [0,0,1,0,0,1|1,0,0]=3 1123 B16R2.7 CCNC1CCC(c2ccccc2)CC1 Amb6280897 [0,0,1,0,0,1|2,0,0]=4 1124 B16R2.7 CCOC1CCC(c2ccccc2)CC1 Amb24068553 [0,0,1,0,0,1|2,0,0]=4 1125 B16R2.7 NCCC1CCC(c2ccccc2)CC1 Amb32645852 [0,0,1,0,0,1|2,0,0]=4 1126 B16R2.7 NCCC1CCC(c2ccccc2)CC1 Amb32645955 [0,0,1,0,0,1|2,0,0]=4 1127 B16R2.7 NCCC1CCC(c2ccccc2)NC1 Amb33275372 [0,0,1,0,0,1|2,0,0]=4 1128 B16R2.98 CCCN1CCNCC1c2ccccc2 Amb17579065 [0,0,1,0,0,1|1,0,0]=3 1129 B16R2.98 CNCC1CCCOC1c2ccccc2 Amb13951819 [0,0,1,0,0,1|2,0,0]=4 1130 B16R2.23 CCC1NC(Cc2ccccc2)CCO1 Amb33193768 [0,0,1,0,0,1|2,0,0]=4 1131 B16R2.23 CNC1CCCN(Cc2ccccc2)C1 Amb8838953 [0,0,1,0,0,1|1,0,0]=3 1132 B16R2.23 CN[C@@H]1CCCN(Cc2ccccc2)C1 Amb22224735 [0,0,1,0,0,1|1,0,0]=3 1133 B16R2.23 CN[C@@H]1CN(Cc2ccccc2)CCO1 Amb27230617 [0,0,1,0,0,1|2,0,0]=4 1134 B16R2.23 NNC1CCCN(Cc2ccccc2)C1 Amb19373037 [0,0,1,0,0,1|2,0,0]=4 1135 B16R2.23 NNC1CCCN(Cc2ccccc2)C1 Amb9211271 [0,0,1,0,0,1|2,0,0]=4 1136 B16R2.169 C#C[C@H]1CCC[C@@H]1NCc2ccccc2 Amb27233609 [0,0,1,0,0,1|1,0,1]=4 1137 B16R2.169 CCC1CCCC1NCc2ccccc2 Amb27244324 [0,0,1,0,0,1|1,0,0]=3 1138 B16R2.169 CCC1CCNC1CCc2ccccc2 Amb3788772 [0,0,1,0,0,1|2,0,0]=4 1139 B16R2.169 CCC1NCCC1OCc2ccccc2 Amb27793419 [0,0,1,0,0,1|2,0,0]=4 1140 B16R2.169 CNC1CCCC1OCc2ccccc2 Amb27975262 [0,0,1,0,0,1|0,0,0]=2 1141 B16R2.169 CN[C@H]1CCC[C@@H]1OCc2ccccc2 Amb27631332 [0,0,1,0,0,1|0,0,0]=2 1142 B16R2.169 CO[C@@H]1CNC[C@H]1OCc2ccccc2 Amb27960349 [0,0,1,0,0,1|2,0,0]=4 1143 B16R2.169 NCC1CCCC1OCc2ccccc2 Amb9286498 [0,0,1,0,0,1|2,0,0]=4 1144 B16R2.169 OCC1CCCC1NCc2ccccc2 Amb27815167 [0,0,1,0,0,1|2,0,0]=4 1145 B16R2.172 CCC1CNCCN1Cc2ccccc2 Amb10068432 [0,0,1,0,0,1|2,0,0]=4 1146 B16R2.172 CCC1COCCN1Cc2ccccc2 Amb27661142 [0,0,1,0,0,1|2,0,0]=4 1147 B16R2.172 CNC1COCCN1Cc2ccccc2 Amb24698390 [0,0,1,0,0,1|1,0,0]=3 1148 B16R2.172 CO[C@@H]1CCCN[C@@H]1Cc2ccccc2 Amb30529938 [0,0,1,0,0,1|1,0,0]=3 1149 B16R2.172 CO[C@@H]1CCNC[C@@H]1Cc2ccccc2 Amb30529942 [0,0,1,0,0,1|1,0,0]=3 1150 B16R2.172 CO[C@@H]1CCNC[C@H]1Cc2ccccc2 Amb30529946 [0,0,1,0,0,1|1,0,0]=3 1151 B16R2.172 CO[C@@H]1CNCC[C@@H]1Cc2ccccc2 Amb30530064 [0,0,1,0,0,1|1,0,0]=3 1152 B16R2.172 CO[C@@H]1CNCC[C@H]1Cc2ccccc2 Amb30530075 [0,0,1,0,0,1|1,0,0]=3 1153 B16R2.172 NC[C@@H]1CCCN[C@H]1Cc2ccccc2 Amb18176660 [0,0,1,0,0,1|2,0,0]=4 1154 B16R2.101 ClCC(Nc1ccccn1)C2CCCC2 Amb27212849 [0,0,1,0,0,1|2,0,0]=4 1155 B16R2.101 ClCC(Nc1ccncc1)C2CCCC2 Amb28194908 [0,0,1,0,0,1|2,0,0]=4 1156 B16R2.101 NCC(Cc1ccccc1)N2CCCC2 Amb1129117 [0,0,1,0,0,1|1,0,0]=3 1157 B16R2.101 NCC(Cc1cccnc1)N2CCCC2 Amb17238605 [0,0,1,0,0,1|2,0,0]=4 1158 B16R2.101 OC[C@@H](Cc1ccccc1)N2CCCC2 Amb30628595 [0,0,1,0,0,1|2,0,0]=4 1159 B16R2.187 CCC(c1ccccc1)N2CCCCC2 Amb24063853 [0,0,1,0,0,1|2,0,0]=4 1160 B16R2.187 CCC(c1ccccc1)N2CCNCC2 Amb17061040 [0,0,1,0,0,1|2,0,0]=4 1161 B16R2.187 COC(c1ccccc1)C2CCNCC2 Amb5739737 [0,0,1,0,0,1|2,0,0]=4 1162 B16R2.187 ClCC(c1ccccc1)N2CCCCC2 Amb17246409 [0,0,1,0,0,1|2,0,0]=4 1163 B16R2.187 N#CC(c1ccccc1)C2CCCCC2 Amb2444421 [0,0,1,0,0,1|0,0,2]=4 1164 B16R2.187 N#CC(c1ccccc1)C2CCCCN2 Amb19148145 [0,0,1,0,0,1|0,0,2]=4 1165 B16R2.187 N#CC(c1ccccc1)C2CCCCN2 Amb22056057 [0,0,1,0,0,1|0,0,2]=4 1166 B16R2.187 N#CC(c1ccccc1)C2CCCCN2 Amb22436472 [0,0,1,0,0,1|0,0,2]=4 1167 B16R2.187 N#CC(c1ccccc1)C2CCNCC2 Amb22481860 [0,0,1,0,0,1|0,0,2]=4 1168 B16R2.187 N#CC(c1ccccc1)C2CC[NH2+]CC2 Amb4010720 [0,0,1,0,0,1|0,0,2]=4 1169 B16R2.187 NCC(c1ccccc1)C2CCCCC2 Amb1080857 [0,0,1,0,0,1|0,0,0]=2 1170 B16R2.187 NCC(c1ccccc1)C2CCCCC2 Amb6825619 [0,0,1,0,0,1|0,0,0]=2 1171 B16R2.187 NCC(c1ccccc1)C2CCOCC2 Amb31102371 [0,0,1,0,0,1|0,0,0]=2 1172 B16R2.187 NCC(c1ccccc1)N2CCCCC2 Amb13948989 [0,0,1,0,0,1|1,0,0]=3 1173 B16R2.187 NCC(c1ccccc1)N2CCCCC2 Amb9712051 [0,0,1,0,0,1|1,0,0]=3 1174 B16R2.187 NCC(c1ccccc1)N2CCNCC2 Amb17238607 [0,0,1,0,0,1|1,0,0]=3 1175 B16R2.187 NCC(c1ccccc1)N2CCOCC2 Amb10576301 [0,0,1,0,0,1|1,0,0]=3 1176 B16R2.187 NCC(c1ccccc1)N2CCOCC2 Amb9712638 [0,0,1,0,0,1|1,0,0]=3 1177 B16R2.187 NCC(c1ccccc1)N2CCSCC2 Amb6747775 [0,0,1,0,0,1|1,0,0]=3 1178 B16R2.187 NCC(c1ccccn1)C2CCOCC2 Amb31102378 [0,0,1,0,0,1|1,0,0]=3 1179 B16R2.187 NCC(c1ccccn1)N2CCOCC2 Amb9712151 [0,0,1,0,0,1|2,0,0]=4 1180 B16R2.187 NCC(c1cccnc1)C2CCOCC2 Amb31102379 [0,0,1,0,0,1|1,0,0]=3 1181 B16R2.187 NCC(c1cccnc1)N2CCNCC2 Amb17239065 [0,0,1,0,0,1|2,0,0]=4 1182 B16R2.187 NCC(c1cccnc1)N2CCOCC2 Amb1398863 [0,0,1,0,0,1|2,0,0]=4 1183 B16R2.187 NCC(c1ccncc1)C2CCOCC2 Amb31102380 [0,0,1,0,0,1|1,0,0]=3 1184 B16R2.187 NCC(c1ccncc1)N2CCCCC2 Amb17143335 [0,0,1,0,0,1|2,0,0]=4 1185 B16R2.187 NCC(c1ccncc1)N2CCOCC2 Amb10608546 [0,0,1,0,0,1|2,0,0]=4 1186 B16R2.187 OCC(c1ccccc1)C2CCCCC2 Amb4151528 [0,0,1,0,0,1|1,0,0]=3 1187 B16R2.187 OCC(c1ccccc1)N2CCCCC2 Amb17238471 [0,0,1,0,0,1|2,0,0]=4 1188 B16R2.187 OCC(c1ccccc1)N2CCNCC2 Amb17239012 [0,0,1,0,0,1|2,0,0]=4 1189 B16R2.187 OCC(c1ccccc1)N2CCOCC2 Amb23442753 [0,0,1,0,0,1|2,0,0]=4 1190 B16R2.685 BrCC(OC1CCCC1)c2ccccc2 Amb33348524 [0,0,1,0,0,1|1,0,0]=3 1191 B16R2.685 BrCC(OC1CCOC1)c2ccccc2 Amb33348512 [0,0,1,0,0,1|2,0,0]=4 1192 B16R2.685 CCC(NC1CCCC1)c2ccccc2 Amb6686177 [0,0,1,0,0,1|1,0,0]=3 1193 B16R2.685 CCN(CC1CCCC1)c2ccccc2 Amb17237847 [0,0,1,0,0,1|2,0,0]=4 1194 B16R2.685 ICC(OC1CCCC1)c2ccccc2 Amb33349141 [0,0,1,0,0,1|1,0,0]=3 1195 B16R2.685 ICC(OC1CCOC1)c2ccccc2 Amb33349143 [0,0,1,0,0,1|2,0,0]=4 1196 B16R2.685 N#CC(NC1CCCC1)c2ccccc2 Amb17043550 [0,0,1,0,0,1|0,0,2]=4 1197 B16R2.685 NCC(CN1CCCC1)c2ccccc2 Amb9393708 [0,0,1,0,0,1|1,0,0]=3 1198 B16R2.685 NCC(NN1CCCC1)c2ccccc2 Amb18065029 [0,0,1,0,0,1|1,0,0]=3 1199 B16R2.685 OCC(CN1CCCC1)c2ccccc2 Amb19888433 [0,0,1,0,0,1|2,0,0]=4 1200 B16R2.685 OCC(NC1CCCC1)c2ccccc2 Amb19009113 [0,0,1,0,0,1|1,0,0]=3 1201 B16R2.685 OCC(NC1CCSC1)c2ccccc2 Amb33496246 [0,0,1,0,0,1|2,0,0]=4 1202 B16R2.236 CC1CCCC(C(Br)c2ccccc2)C1 Amb27421657 [0,0,1,0,0,1|2,0,0]=4 1203 B16R2.3005 CN(Cc1ccccc1)C2CCCC2N Amb17490051 [0,0,1,0,0,1|1,0,0]=3 1204 B16R2.3005 CN(Cc1ccccc1)C2CCCC2O Amb25750906 [0,0,1,0,0,1|2,0,0]=4 1205 B16R2.3005 CN(Cc1ccccc1)[C@H]2CCC[C@@H]2O Amb27163479 [0,0,1,0,0,1|2,0,0]=4 1206 B16R2.3005 N[C@@H]1CCC[C@@H]1C(=O)Cc2ccccc2 Amb35660418 [0,0,1,0,0,1|1,0,1]=4 1207 B16R2.3014 CC(CC1COCC1Br)c2ccccc2 Amb35736922 [0,0,1,0,0,1|2,0,0]=4 1208 B16R2.3014 CC(CC1COCC1Cl)c2ccccc2 Amb35589972 [0,0,1,0,0,1|2,0,0]=4 1209 B16R2.3014 CC(NC1CCCC1C)c2ccccc2 Amb33496269 [0,0,1,0,0,1|1,0,0]=3 1210 B16R2.3014 CC(NC1CCCC1C)c2ccccn2 Amb33496260 [0,0,1,0,0,1|2,0,0]=4 1211 B16R2.3014 CC(NC1CCCC1C)c2ccncc2 Amb33496266 [0,0,1,0,0,1|2,0,0]=4 1212 B16R2.3014 CC(NC1CCOC1C)c2ccccc2 Amb33442005 [0,0,1,0,0,1|2,0,0]=4 1213 B16R2.3014 CC(OC1CCCC1Br)c2ccccc2 Amb27666240 [0,0,1,0,0,1|1,0,0]=3 1214 B16R2.3014 CC(OC1CCCC1I)c2ccccc2 Amb25757842 [0,0,1,0,0,1|1,0,0]=3 1215 B16R2.3014 CC(OC1COCC1Br)c2ccccc2 Amb25193840 [0,0,1,0,0,1|2,0,0]=4 1216 B16R2.3014 CC(OC1COCC1I)c2ccccc2 Amb27469320 [0,0,1,0,0,1|2,0,0]=4 1217 B16R2.3014 C[C@@H](N[C@@H]1CCC[C@H]1O)c2ccccc2 Amb10808534 [0,0,1,0,0,1|1,0,0]=3 1218 B16R2.3014 NC1CCCC1CC(=O)c2ccccc2 Amb29868765 [0,0,1,0,0,1|1,0,1]=4 1219 B16R2.3014 N[C@@H]1CCC[C@H]1CC(=O)c2ccccc2 Amb35716031 [0,0,1,0,0,1|1,0,1]=4 1220 B16R2.3896 CC(c1ccccc1)C2CNCCC2=O Amb18785332 [0,0,1,0,0,1|1,0,1]=4 1221 B16R2.3896 CC(c1ccccc1)C2CNCCN2C Amb32954035 [0,0,1,0,0,1|2,0,0]=4 1222 B16R2.3896 CC(c1ccccc1)C2NCCCC2O Amb18782239 [0,0,1,0,0,1|1,0,0]=3 1223 B16R2.3896 CC1CNCCN1C(C)c2ccccc2 Amb17238260 [0,0,1,0,0,1|2,0,0]=4 1224 B16R2.3896 CC1COCCC1C(Br)c2ccccc2 Amb28285493 [0,0,1,0,0,1|2,0,0]=4 1225 B16R2.3896 CN(c1ccccc1)C2CCOCC2O Amb33041325 [0,0,1,0,0,1|2,0,0]=4 1226 B16R2.2256 C(/CCc1ccccc1)=C2/CCCNC2 Amb31116284 [0,0,1,0,0,1|1,0,1]=4 1227 B16R2.2256 C(CCc1ccccc1)=C2CCNCC2 Amb31116281 [0,0,1,0,0,1|1,0,1]=4 1228 B16R2.2256 c1ccc(CCCC2CCCCN2)cc1 Amb2235003 [0,0,1,0,0,1|1,0,0]=3 1229 B16R2.2256 c1ccc(CCCC2CCCCN2)cc1 Amb28750995 [0,0,1,0,0,1|1,0,0]=3 1230 B16R2.2256 c1ccc(CCCC2CCCNC2)cc1 Amb21959215 [0,0,1,0,0,1|1,0,0]=3 1231 B16R2.2256 c1ccc(CCCC2CCNCC2)cc1 Amb22754372 [0,0,1,0,0,1|1,0,0]=3 1232 B16R2.2256 c1ccc(CCCC2CCNCC2)cc1 Amb2694474 [0,0,1,0,0,1|1,0,0]=3 1233 B16R2.2256 c1ccc(CCCN2CCNCC2)cc1 Amb1110026 [0,0,1,0,0,1|2,0,0]=4 1234 B16R2.2256 c1ccc(CCNC2=NCCCS2)cc1 Amb1103981 [0,0,1,0,0,1|1,0,1]=4 1235 B16R2.2256 c1ccc(CCNC2CCCCC2)cc1 Amb2118405 [0,0,1,0,0,1|0,0,0]=2 1236 B16R2.2256 c1ccc(CCNC2CCCCC2)cc1 Amb6695554 [0,0,1,0,0,1|0,0,0]=2 1237 B16R2.2256 c1ccc(CCNC2CCCSC2)nc1 Amb19033220 [0,0,1,0,0,1|1,0,0]=3 1238 B16R2.2256 c1ccc(CCNC2CCOCC2)cc1 Amb9472409 [0,0,1,0,0,1|0,0,0]=2 1239 B16R2.2256 c1ccc(CCNC2CCOCC2)nc1 Amb9472401 [0,0,1,0,0,1|1,0,0]=3 1240 B16R2.2256 c1ccc(CCOC2CCCNC2)cc1 Amb6701444 [0,0,1,0,0,1|1,0,0]=3 1241 B16R2.2256 c1ccc(CCOC2CCNCC2)cc1 Amb13951333 [0,0,1,0,0,1|1,0,0]=3 1242 B16R2.2256 c1ccc(CCOC2CCNCC2)cc1 Amb33531496 [0,0,1,0,0,1|1,0,0]=3 1243 B16R2.2256 c1ccc(CC[NH2+]C2CCCCC2)cc1 Amb4012528 [0,0,1,0,0,1|0,0,1]=3 1244 B16R2.2256 c1ccc(CNCC2CCCCC2)cc1 Amb1832421 [0,0,1,0,0,1|2,0,0]=4 1245 B16R2.2256 c1ccc(CNCC2CCCCC2)cc1 Amb6335354 [0,0,1,0,0,1|2,0,0]=4 1246 B16R2.2256 c1ccc(CNCC2CCCCO2)cc1 Amb9258689 [0,0,1,0,0,1|2,0,0]=4 1247 B16R2.2256 c1ccc(CNCC2CCCNC2)cc1 Amb17238239 [0,0,1,0,0,1|2,0,0]=4 1248 B16R2.2256 c1ccc(CNCC2CCNCC2)cc1 Amb1926957 [0,0,1,0,0,1|2,0,0]=4 1249 B16R2.2256 c1ccc(CNCC2CCOCC2)cc1 Amb2683681 [0,0,1,0,0,1|2,0,0]=4 1250 B16R2.2256 c1ccc(CNC[C@@H]2CCCNC2)cc1 Amb28251942 [0,0,1,0,0,1|2,0,0]=4 1251 B16R2.2256 c1ccc(COCC2CCCCN2)cc1 Amb17061768 [0,0,1,0,0,1|2,0,0]=4 1252 B16R2.2256 c1ccc(COCC2CCCNC2)cc1 Amb17061784 [0,0,1,0,0,1|2,0,0]=4 1253 B16R2.2256 c1ccc(COCC2CCCNC2)cc1 Amb21954470 [0,0,1,0,0,1|2,0,0]=4 1254 B16R2.2256 c1ccc(COCC2CCNCC2)cc1 Amb21954838 [0,0,1,0,0,1|2,0,0]=4 1255 B16R2.2256 c1ccc(COCC2CCNCC2)cc1 Amb5400491 [0,0,1,0,0,1|2,0,0]=4 1256 B16R2.2256 c1ccc(CONC2CCCCC2)cc1 Amb27946501 [0,0,1,0,0,1|1,0,0]=3 1257 B16R2.2256 c1ccc(CONC2CCCOC2)cc1 Amb27443746 [0,0,1,0,0,1|1,0,0]=3 1258 B16R2.2256 c1ccc(CONC2CCCSC2)cc1 Amb27882398 [0,0,1,0,0,1|1,0,0]=3 1259 B16R2.2256 c1ccc(CSCC2CCCCN2)cc1 Amb22395623 [0,0,1,0,0,1|2,0,0]=4 1260 B16R2.2256 c1ccc(CSCC2CCCCN2)cc1 Amb35745832 [0,0,1,0,0,1|2,0,0]=4 1261 B16R2.2256 c1ccc(CSCC2CCCNC2)cc1 Amb22395604 [0,0,1,0,0,1|2,0,0]=4 1262 B16R2.2256 c1ccc(CSCC2CCCNC2)cc1 Amb35745831 [0,0,1,0,0,1|2,0,0]=4 1263 B16R2.2256 c1ccc(CSCC2CCNCC2)cc1 Amb22395588 [0,0,1,0,0,1|2,0,0]=4 1264 B16R2.2256 c1ccc(CSCC2CCNCC2)cc1 Amb35745673 [0,0,1,0,0,1|2,0,0]=4 1265 B16R2.2256 c1ccc(OCCC2CCCCN2)cc1 Amb9212480 [0,0,1,0,0,1|2,0,0]=4 1266 B16R2.2256 c1ccc(OCCC2CCCNC2)cc1 Amb19021002 [0,0,1,0,0,1|2,0,0]=4 1267 B16R2.2256 c1ccc(OCCC2CCNCC2)cc1 Amb9212481 [0,0,1,0,0,1|2,0,0]=4 1268 B16R2.2256 c1ccc(SCCC2CCCCN2)cc1 Amb2574969 [0,0,1,0,0,1|2,0,0]=4 1269 B16R2.2256 c1ccc(SCCC2CCCCN2)cc1 Amb5544286 [0,0,1,0,0,1|2,0,0]=4 1270 B16R2.2256 c1ccc(SCCC2CCNCC2)cc1 Amb22395689 [0,0,1,0,0,1|2,0,0]=4 1271 B16R2.2256 c1cnc(CCNC2CCCCC2)nc1 Amb33495857 [0,0,1,0,0,1|2,0,0]=4 1272 B16R2.2257 C(#Cc1ccccc1)CNC2CCCC2 Amb1923324 [0,0,1,0,0,1|0,0,1]=3 1273 B16R2.2257 C(#Cc1ccccc1)CNC2CCCC2 Amb6864874 [0,0,1,0,0,1|0,0,1]=3 1274 B16R2.2257 C(=C\c1ccccc1)/CNC2CCCC2 Amb837836 [0,0,1,0,0,1|0,0,1]=3 1275 B16R2.2257 C(CNCc1ccccc1)=C2CCCC2 Amb28123158 [0,0,1,0,0,1|1,0,1]=4 1276 B16R2.2257 c1cc(CCNCC2CCCO2)ccn1 Amb2592524 [0,0,1,0,0,1|2,0,0]=4 1277 B16R2.2257 c1ccc(CCCNC2CCCC2)cc1 Amb6707316 [0,0,1,0,0,1|0,0,0]=2 1278 B16R2.2257 c1ccc(CCCNC2CCSC2)cc1 Amb6723877 [0,0,1,0,0,1|1,0,0]=3 1279 B16R2.2257 c1ccc(CCCOC2CCNC2)cc1 Amb20622676 [0,0,1,0,0,1|2,0,0]=4 1280 B16R2.2257 c1ccc(CCCOC2CCNC2)cc1 Amb22059088 [0,0,1,0,0,1|2,0,0]=4 1281 B16R2.2257 c1ccc(CCNCC2CCCO2)cc1 Amb6700339 [0,0,1,0,0,1|1,0,0]=3 1282 B16R2.2257 c1ccc(CCOCC2CCCN2)cc1 Amb22499198 [0,0,1,0,0,1|2,0,0]=4 1283 B16R2.2257 c1ccc(CNCCC2CCCC2)cc1 Amb20091170 [0,0,1,0,0,1|1,0,0]=3 1284 B16R2.2257 c1ccc(CNCCC2CCCO2)cc1 Amb27483621 [0,0,1,0,0,1|2,0,0]=4 1285 B16R2.2257 c1ccc(CNCCN2CCCC2)cc1 Amb19373466 [0,0,1,0,0,1|2,0,0]=4 1286 B16R2.2257 c1ccc(CNCCN2CCCC2)cc1 Amb4552599 [0,0,1,0,0,1|2,0,0]=4 1287 B16R2.2257 c1ccc(COCCC2CCCN2)cc1 Amb28318903 [0,0,1,0,0,1|2,0,0]=4 1288 B16R2.2257 c1ccc(COCCN2CCCC2)cc1 Amb27879196 [0,0,1,0,0,1|2,0,0]=4 1289 B16R2.2257 c1ccc(OCCNC2CCCC2)cc1 Amb15742120 [0,0,1,0,0,1|0,0,0]=2 1290 B16R2.24 CCC1CNCC(c2ccccc2)N1C Amb18783740 [0,0,1,0,0,1|1,0,0]=3 1291 B16R3.5924 c1coc(C2CNCC3CCCN32)c1 Amb27863640 [0,0,0,0,1,1|2,0,0]=4 1292 B16R3.5924 c1coc(C2CNC[C@@H]3CCCN23)c1 Amb28312866 [0,0,0,0,1,1|2,0,0]=4 1293 B16R3.5924 c1coc(C2CNC[C@H]3CCCN23)c1 Amb18817033 [0,0,0,0,1,1|2,0,0]=4 1294 B16R3.5924 c1csc(C2CNCC3CCCN32)c1 Amb25060330 [0,0,0,0,1,1|2,0,0]=4 1295 B16R3.5924 c1csc(C2CNC[C@H]3CCCN23)c1 Amb18776493 [0,0,0,0,1,1|2,0,0]=4 1296 B18R3.2098 c1ccc(CN2CC[C@@H]3CCNC[C@H]32)cc1 Amb18770079 [0,0,0,0,0,2|2,0,0]=4 1297 B18R3.2098 c1ccc(CN2CC[C@@H]3CNCC[C@H]32)cc1 Amb18770080 [0,0,0,0,0,2|2,0,0]=4 1298 B18R3.2108 c1cc(C2CNCC3COCCN32)ccn1 Amb18168172 [0,0,0,0,0,2|2,0,0]=4 1299 B18R3.2108 c1ccc(C2CNCC3CCCCN32)cc1 Amb18171975 [0,0,0,0,0,2|1,0,0]=3 1300 B18R3.2108 c1ccc(C2CNCC3CCCCN32)nc1 Amb18769573 [0,0,0,0,0,2|2,0,0]=4 1301 B18R3.2108 c1ccc(C2CNCC3COCCN32)cc1 Amb18768834 [0,0,0,0,0,2|1,0,0]=3 1302 B18R3.2108 c1ccc(C2CNCC3COCCN32)nc1 Amb18767594 [0,0,0,0,0,2|2,0,0]=4 1303 B18R3.2108 c1ccc(C2NCCN3CCCCC23)cc1 Amb18770085 [0,0,0,0,0,2|2,0,0]=4 1304 B18R3.2108 c1cncc(C2CNCC3CCCCN32)c1 Amb18769570 [0,0,0,0,0,2|2,0,0]=4 1305 B18R3.2115 c1ccc(CC2CNC[C@H]3CCCN23)cc1 Amb18171978 [0,0,0,0,0,2|1,0,0]=3 1306 B18R3.12803 c1ccc(C2CNCCN3CCCC23)cc1 Amb18770091 [0,0,0,0,0,2|1,0,0]=3 1307 B18R3.12803 c1ccc(C2NCCCN3CCCC23)cc1 Amb18770086 [0,0,0,0,0,2|2,0,0]=4 1308 B18R3.12803 c1cncc(C2CNCCN3CCCC23)c1 Amb18170402 [0,0,0,0,0,2|2,0,0]=4