0 B13R2.15 BrC1CCCC1c2ccccc2 Amb27487943 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.15 BrC1CCCC1c2cccnc2 Amb27412723 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.15 BrC1CCCC1c2cnccn2 Amb27454489 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.15 BrC1COCC1c2ccccc2 Amb35736911 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.15 BrC1COCC1c2cccnc2 Amb35736912 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.15 BrC1COCC1c2cnccn2 Amb35736914 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.15 BrC1COCC1c2cncnc2 Amb35736913 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.15 CC1=NCCN1c2cccnn2 Amb27415028 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.15 CC1CCCC1c2ccccc2 Amb28060308 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.15 CC1CCCN1c2ccccn2 Amb27765835 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.15 CC1CCN=C1c2ccccc2 Amb26867229 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.15 CC1CCNC1c2ccccc2 Amb33533836 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.15 CC1CCNC1c2cccnc2 Amb3788163 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.15 CC1CNCC1c2ccccc2 Amb24312553 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.15 CC1CNCC1c2ccccn2 Amb28056498 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.15 CC1CNCC1c2ccncc2 Amb27811235 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.15 CC1CNCC1c2cnccn2 Amb35600833 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.15 CC1NCCC1c2ccccc2 Amb18279882 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.15 CC1NCCC1c2cnccn2 Amb35600826 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.15 CC1NCCC1c2cncnc2 Amb27215030 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.15 CC1OCNC1c2ccccc2 Amb27614663 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.15 CN1CCCC1c2cccnc2 Amb6600438 [0,0,0,0,0,0|0,0,0]=0 22 B13R2.15 CN1CCC[C@@H]1c2ccccc2 Amb25817229 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.15 CN1CCC[C@H]1c2ccccc2 Amb27603452 [0,0,0,0,0,0|1,0,0]=1 24 B13R2.15 CN1CCC[C@H]1c2cccnc2 Amb533498 [0,0,0,0,0,0|0,0,0]=0 25 B13R2.15 CN1CCNC1c2ccccn2 Amb27592227 [0,0,0,0,0,0|3,0,0]=3 26 B13R2.15 CN1CCNC1c2cccnc2 Amb27858911 [0,0,0,0,0,0|1,0,0]=1 27 B13R2.15 CN1CCNC1c2ccncc2 Amb22015359 [0,0,0,0,0,0|3,0,0]=3 28 B13R2.15 CN1CCOC1c2ccccc2 Amb3735625 [0,0,0,0,0,0|2,0,0]=2 29 B13R2.15 CN1CCOC1c2ccccn2 Amb17334611 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.15 CN1CCOC1c2cccnc2 Amb17334613 [0,0,0,0,0,0|1,0,0]=1 31 B13R2.15 CN1CCOC1c2ccncc2 Amb17334615 [0,0,0,0,0,0|3,0,0]=3 32 B13R2.15 CN1N=CCC1c2ccccc2 Amb27478548 [0,0,0,0,0,0|2,0,1]=3 33 B13R2.15 C[C@@H]1CCN[C@H]1c2ccccc2 Amb18829884 [0,0,0,0,0,0|3,0,0]=3 34 B13R2.15 C[C@@H]1CCN[C@H]1c2ccccn2 Amb18829584 [0,0,0,0,0,0|4,0,0]=4 35 B13R2.15 C[C@@H]1CCN[C@H]1c2cccnc2 Amb18829583 [0,0,0,0,0,0|2,0,0]=2 36 B13R2.15 C[C@@H]1CCN[C@H]1c2ccncc2 Amb18829582 [0,0,0,0,0,0|4,0,0]=4 37 B13R2.15 C[C@@H]1NCCC1c2ccccc2 Amb27616689 [0,0,0,0,0,0|3,0,0]=3 38 B13R2.15 C[C@@H]1NCC[C@H]1c2ccccc2 Amb27420012 [0,0,0,0,0,0|3,0,0]=3 39 B13R2.15 C[C@@H]1NCO[C@H]1c2ccccc2 Amb27441137 [0,0,0,0,0,0|4,0,0]=4 40 B13R2.15 C[C@@H]1OCN[C@H]1c2ccccc2 Amb28385033 [0,0,0,0,0,0|4,0,0]=4 41 B13R2.15 C[C@H]1CCN[C@@H]1c2ccccc2 Amb27252946 [0,0,0,0,0,0|3,0,0]=3 42 B13R2.15 C[C@H]1CCN[C@@H]1c2ccccn2 Amb27420243 [0,0,0,0,0,0|4,0,0]=4 43 B13R2.15 C[C@H]1OCN[C@H]1c2ccccc2 Amb27441110 [0,0,0,0,0,0|4,0,0]=4 44 B13R2.15 ClC1CCCC1c2ccccc2 Amb18184968 [0,0,0,0,0,0|3,0,0]=3 45 B13R2.15 ClC1CCOC1c2ccccc2 Amb27634832 [0,0,0,0,0,0|4,0,0]=4 46 B13R2.15 ClC1COCC1c2ccccc2 Amb35735020 [0,0,0,0,0,0|4,0,0]=4 47 B13R2.15 ClC1COCC1c2cccnc2 Amb35735882 [0,0,0,0,0,0|3,0,0]=3 48 B13R2.15 ClC1COCC1c2cnccn2 Amb35736815 [0,0,0,0,0,0|4,0,0]=4 49 B13R2.15 ClC1COCC1c2cncnc2 Amb35736814 [0,0,0,0,0,0|4,0,0]=4 50 B13R2.15 Cn1cccc1-c2cccnc2 Amb2698661 [0,0,0,0,0,0|0,0,4]=4 51 B13R2.15 Cn1ccnc1-c2cccnc2 Amb17232291 [0,0,0,0,0,0|1,0,3]=4 52 B13R2.15 Cn1cncc1-c2cccnc2 Amb30585043 [0,0,0,0,0,0|1,0,3]=4 53 B13R2.15 Cn1nccc1-c2cccnc2 Amb21927563 [0,0,0,0,0,0|1,0,3]=4 54 B13R2.15 FC1CNCC1c2cccnc2 Amb27621394 [0,0,0,0,0,0|3,0,0]=3 55 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 Amb32904432 [0,0,0,0,0,0|4,0,0]=4 56 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 Amb33330912 [0,0,0,0,0,0|4,0,0]=4 57 B13R2.15 N=C1CCCN1c2ccccc2 Amb7764355 [0,0,0,0,0,0|4,0,0]=4 58 B13R2.15 N=C1NCCC1c2ccccc2 Amb27791860 [0,0,0,0,0,0|4,0,0]=4 59 B13R2.15 NC1CCCC1c2ccccc2 Amb17506307 [0,0,0,0,0,0|3,0,0]=3 60 B13R2.15 NC1CCCC1c2ccccc2 Amb32652751 [0,0,0,0,0,0|3,0,0]=3 61 B13R2.15 NC1CCCC1c2ccccn2 Amb25117417 [0,0,0,0,0,0|4,0,0]=4 62 B13R2.15 NC1CCNC1c2ccccc2 Amb18829599 [0,0,0,0,0,0|4,0,0]=4 63 B13R2.15 NC1CCOC1c2ccccc2 Amb20623662 [0,0,0,0,0,0|4,0,0]=4 64 B13R2.15 NC1CCOC1c2cccnc2 Amb32666104 [0,0,0,0,0,0|3,0,0]=3 65 B13R2.15 NC1CNCC1c2ccccc2 Amb24432765 [0,0,0,0,0,0|4,0,0]=4 66 B13R2.15 NC1CNCC1c2cccnc2 Amb32756031 [0,0,0,0,0,0|3,0,0]=3 67 B13R2.15 NC1COCC1c2cccnc2 Amb29877516 [0,0,0,0,0,0|3,0,0]=3 68 B13R2.15 NC1COCC1c2cnccn2 Amb29877518 [0,0,0,0,0,0|4,0,0]=4 69 B13R2.15 NC1COCC1c2cncnc2 Amb29877517 [0,0,0,0,0,0|4,0,0]=4 70 B13R2.15 NN1CCCC1c2ccccc2 Amb22288944 [0,0,0,0,0,0|2,0,0]=2 71 B13R2.15 NN1CCCC1c2ccccn2 Amb25711510 [0,0,0,0,0,0|3,0,0]=3 72 B13R2.15 NN1CCCC1c2cccnc2 Amb26033222 [0,0,0,0,0,0|1,0,0]=1 73 B13R2.15 NN1CCCC1c2ccncc2 Amb26994311 [0,0,0,0,0,0|3,0,0]=3 74 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 Amb22745600 [0,0,0,0,0,0|3,0,0]=3 75 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 Amb32655988 [0,0,0,0,0,0|3,0,0]=3 76 B13R2.15 N[C@@H]1CCC[C@H]1c2ccccc2 Amb25168925 [0,0,0,0,0,0|3,0,0]=3 77 B13R2.15 N[C@@H]1CCC[C@H]1c2ccccc2 Amb28617037 [0,0,0,0,0,0|3,0,0]=3 78 B13R2.15 N[C@@H]1CCO[C@@H]1c2ccccc2 Amb34915523 [0,0,0,0,0,0|4,0,0]=4 79 B13R2.15 N[C@@H]1CCO[C@@H]1c2cccnc2 Amb34915533 [0,0,0,0,0,0|3,0,0]=3 80 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 Amb25289028 [0,0,0,0,0,0|4,0,0]=4 81 B13R2.15 N[C@@H]1CCO[C@H]1c2cccnc2 Amb32668943 [0,0,0,0,0,0|3,0,0]=3 82 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 Amb27788278 [0,0,0,0,0,0|4,0,0]=4 83 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 Amb27419894 [0,0,0,0,0,0|3,0,0]=3 84 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 Amb33804658 [0,0,0,0,0,0|3,0,0]=3 85 B13R2.15 N[C@H]1CCO[C@@H]1c2cccnc2 Amb28679406 [0,0,0,0,0,0|3,0,0]=3 86 B13R2.15 N[C@H]1COC[C@H]1c2ccccc2 Amb28245212 [0,0,0,0,0,0|4,0,0]=4 87 B13R2.15 O=C1CCCC1c2ccccc2 Amb17940271 [0,0,0,0,0,0|3,0,0]=3 88 B13R2.15 O=C1CCCC1c2ccccn2 Amb2793693 [0,0,0,0,0,0|4,0,0]=4 89 B13R2.15 O=C1CCCC1c2ccccn2 Amb32652718 [0,0,0,0,0,0|4,0,0]=4 90 B13R2.15 O=C1CCCC1c2cccnc2 Amb18797977 [0,0,0,0,0,0|2,0,0]=2 91 B13R2.15 O=C1CCCN1c2ccccc2 Amb6357467 [0,0,0,0,0,0|4,0,0]=4 92 B13R2.15 O=C1CCC[C@H]1c2ccccc2 Amb27175855 [0,0,0,0,0,0|3,0,0]=3 93 B13R2.15 O=C1CCNC1c2ccccc2 Amb18829957 [0,0,0,0,0,0|4,0,0]=4 94 B13R2.15 O=C1CCNC1c2ccccc2 Amb22901061 [0,0,0,0,0,0|4,0,0]=4 95 B13R2.15 O=C1CCNC1c2cccnc2 Amb27200101 [0,0,0,0,0,0|3,0,0]=3 96 B13R2.15 O=C1CCOC1c2ccccc2 Amb27177705 [0,0,0,0,0,0|4,0,0]=4 97 B13R2.15 O=C1COCC1c2ccccc2 Amb23590154 [0,0,0,0,0,0|4,0,0]=4 98 B13R2.15 O=C1COCC1c2cccnc2 Amb35639044 [0,0,0,0,0,0|3,0,0]=3 99 B13R2.15 O=C1COCC1c2cnccn2 Amb35736945 [0,0,0,0,0,0|4,0,0]=4 100 B13R2.15 O=C1COCC1c2cncnc2 Amb35736943 [0,0,0,0,0,0|4,0,0]=4 101 B13R2.15 O=C1NCCC1c2ccccc2 Amb17400090 [0,0,0,0,0,0|4,0,0]=4 102 B13R2.15 O=C1NCCN1c2cccnc2 Amb9678075 [0,0,0,0,0,0|4,0,0]=4 103 B13R2.15 O=C1NCC[C@@H]1c2ccccc2 Amb28316759 [0,0,0,0,0,0|4,0,0]=4 104 B13R2.15 O=C1NCC[C@H]1c2ccccc2 Amb27852446 [0,0,0,0,0,0|4,0,0]=4 105 B13R2.15 O=C1OCCC1c2ccccc2 Amb10606603 [0,0,0,0,0,0|4,0,0]=4 106 B13R2.15 O=C1OCCC1c2cccnc2 Amb22757403 [0,0,0,0,0,0|3,0,0]=3 107 B13R2.15 O=S1CCNC1c2ccccc2 Amb27774432 [0,0,0,0,0,0|4,0,0]=4 108 B13R2.15 O=S1CCSC1c2ccccc2 Amb28253019 [0,0,0,0,0,0|4,0,0]=4 109 B13R2.15 OC1CCCC1c2ccccc2 Amb18798120 [0,0,0,0,0,0|3,0,0]=3 110 B13R2.15 OC1CCCC1c2ccccn2 Amb22886904 [0,0,0,0,0,0|4,0,0]=4 111 B13R2.15 OC1CCCC1c2cccnc2 Amb18798202 [0,0,0,0,0,0|2,0,0]=2 112 B13R2.15 OC1CCCC1c2cnccn2 Amb26035154 [0,0,0,0,0,0|3,0,0]=3 113 B13R2.15 OC1CCCC1c2cncnc2 Amb18798310 [0,0,0,0,0,0|3,0,0]=3 114 B13R2.15 OC1CCNC1c2ccccc2 Amb18829239 [0,0,0,0,0,0|4,0,0]=4 115 B13R2.15 OC1CCNC1c2ccccc2 Amb32411999 [0,0,0,0,0,0|4,0,0]=4 116 B13R2.15 OC1CCNC1c2cccnn2 Amb18828315 [0,0,0,0,0,0|4,0,0]=4 117 B13R2.15 OC1CCO[C@@H]1c2ccccc2 Amb28454218 [0,0,0,0,0,0|4,0,0]=4 118 B13R2.15 OC1CNCC1c2ccccc2 Amb18829263 [0,0,0,0,0,0|4,0,0]=4 119 B13R2.15 OC1CNCC1c2cccnc2 Amb33212793 [0,0,0,0,0,0|3,0,0]=3 120 B13R2.15 OC1CNCC1c2cnccn2 Amb32950279 [0,0,0,0,0,0|4,0,0]=4 121 B13R2.15 OC1CNCC1c2cncnc2 Amb32944514 [0,0,0,0,0,0|4,0,0]=4 122 B13R2.15 OC1COCC1c2ccccc2 Amb23448389 [0,0,0,0,0,0|4,0,0]=4 123 B13R2.15 OC1COCC1c2cccnc2 Amb33213292 [0,0,0,0,0,0|3,0,0]=3 124 B13R2.15 OC1COCC1c2cnccn2 Amb32950908 [0,0,0,0,0,0|4,0,0]=4 125 B13R2.15 OC1COCC1c2cncnc2 Amb32950087 [0,0,0,0,0,0|4,0,0]=4 126 B13R2.15 OC1OCCC1c2ccccc2 Amb22752503 [0,0,0,0,0,0|4,0,0]=4 127 B13R2.15 O[C@@H]1CCC[C@@H]1c2ccccc2 Amb27255257 [0,0,0,0,0,0|3,0,0]=3 128 B13R2.15 O[C@@H]1CCC[C@@H]1c2ccccn2 Amb25061446 [0,0,0,0,0,0|4,0,0]=4 129 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccc2 Amb24678146 [0,0,0,0,0,0|3,0,0]=3 130 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccn2 Amb26946414 [0,0,0,0,0,0|4,0,0]=4 131 B13R2.15 O[C@@H]1CCC[C@H]1c2cccnc2 Amb32950170 [0,0,0,0,0,0|2,0,0]=2 132 B13R2.15 O[C@@H]1CCC[C@H]1c2cnccn2 Amb25306333 [0,0,0,0,0,0|3,0,0]=3 133 B13R2.15 O[C@@H]1CCC[C@H]1c2cncnc2 Amb33213456 [0,0,0,0,0,0|3,0,0]=3 134 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 Amb10603153 [0,0,0,0,0,0|4,0,0]=4 135 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 Amb22405991 [0,0,0,0,0,0|4,0,0]=4 136 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 Amb22899740 [0,0,0,0,0,0|4,0,0]=4 137 B13R2.15 O[C@@H]1CNC[C@H]1c2cccnc2 Amb32944729 [0,0,0,0,0,0|3,0,0]=3 138 B13R2.15 O[C@@H]1CNC[C@H]1c2cnccn2 Amb32950317 [0,0,0,0,0,0|4,0,0]=4 139 B13R2.15 O[C@@H]1CNC[C@H]1c2cncnc2 Amb33213464 [0,0,0,0,0,0|4,0,0]=4 140 B13R2.15 O[C@@H]1COC[C@H]1c2ccccc2 Amb27981628 [0,0,0,0,0,0|4,0,0]=4 141 B13R2.15 O[C@@H]1COC[C@H]1c2cccnc2 Amb32950452 [0,0,0,0,0,0|3,0,0]=3 142 B13R2.15 O[C@@H]1COC[C@H]1c2cnccn2 Amb33213797 [0,0,0,0,0,0|4,0,0]=4 143 B13R2.15 O[C@@H]1COC[C@H]1c2cncnc2 Amb33213746 [0,0,0,0,0,0|4,0,0]=4 144 B13R2.15 O[C@H]1CCC[C@@H]1c2ccccc2 Amb25236019 [0,0,0,0,0,0|3,0,0]=3 145 B13R2.15 O[C@H]1CCC[C@H]1c2ccccc2 Amb28053441 [0,0,0,0,0,0|3,0,0]=3 146 B13R2.15 O[C@H]1CCC[C@H]1c2cnccn2 Amb27451968 [0,0,0,0,0,0|3,0,0]=3 147 B13R2.15 O[C@H]1CCO[C@H]1c2ccccc2 Amb27443576 [0,0,0,0,0,0|4,0,0]=4 148 B13R2.15 O[C@H]1CNC[C@@H]1c2ccccc2 Amb26440363 [0,0,0,0,0,0|4,0,0]=4 149 B13R2.15 O[C@H]1CNC[C@H]1c2ccccc2 Amb24725624 [0,0,0,0,0,0|4,0,0]=4 150 B13R2.15 O[C@H]1COC[C@@H]1c2ccccc2 Amb27457647 [0,0,0,0,0,0|4,0,0]=4 151 B12R2.2 C1=C(c2ccccc2)CCC1 Amb4317492 [1,0,0,0,0,0|2,0,1]=4 152 B12R2.2 C1=C(c2ccccc2)NCC1 Amb17938860 [1,0,0,0,0,0|1,0,2]=4 153 B12R2.2 C1=C(c2cccnc2)CNC1 Amb27780657 [1,0,0,0,0,0|2,0,1]=4 154 B12R2.2 C1=C(c2cccnc2)CNC1 Amb30584706 [1,0,0,0,0,0|2,0,1]=4 155 B12R2.2 C1=CC(c2cncnc2)NC1 Amb27260581 [1,0,0,0,0,0|1,0,2]=4 156 B12R2.2 C1=NC(c2cccnc2)CC1 Amb17616205 [1,0,0,0,0,0|0,0,2]=3 157 B12R2.2 C1=NNC(c2ccccc2)C1 Amb2797582 [1,0,0,0,0,0|2,0,1]=4 158 B12R2.2 c1cc(C2CCCN2)ccn1 Amb17659139 [1,0,0,0,0,0|2,0,0]=3 159 B12R2.2 c1cc(C2CCCN2)ncn1 Amb18279422 [1,0,0,0,0,0|3,0,0]=4 160 B12R2.2 c1cc(C2CCCN2)ncn1 Amb28872283 [1,0,0,0,0,0|3,0,0]=4 161 B12R2.2 c1cc(C2CCCN2)ncn1 Amb32409616 [1,0,0,0,0,0|3,0,0]=4 162 B12R2.2 c1cc(C2CCCS2)ccn1 Amb19373819 [1,0,0,0,0,0|3,0,0]=4 163 B12R2.2 c1cc(C2NCCO2)ccn1 Amb17334300 [1,0,0,0,0,0|3,0,0]=4 164 B12R2.2 c1cc(C2NCCS2)ccn1 Amb6751973 [1,0,0,0,0,0|3,0,0]=4 165 B12R2.2 c1cc(N2CCCN2)ccn1 Amb27776165 [1,0,0,0,0,0|3,0,0]=4 166 B12R2.2 c1cc([C@@H]2CCCN2)ccn1 Amb26413775 [1,0,0,0,0,0|2,0,0]=3 167 B12R2.2 c1cc([C@@H]2CCCN2)ncn1 Amb27965852 [1,0,0,0,0,0|3,0,0]=4 168 B12R2.2 c1cc([C@H]2CCCN2)ccn1 Amb26565678 [1,0,0,0,0,0|2,0,0]=3 169 B12R2.2 c1ccc(C2=NCCC2)cc1 Amb1106418 [1,0,0,0,0,0|1,0,2]=4 170 B12R2.2 c1ccc(C2=NCCN2)cc1 Amb3940399 [1,0,0,0,0,0|2,0,1]=4 171 B12R2.2 c1ccc(C2CCCC2)cc1 Amb9787161 [1,0,0,0,0,0|2,0,0]=3 172 B12R2.2 c1ccc(C2CCCC2)nc1 Amb23589711 [1,0,0,0,0,0|3,0,0]=4 173 B12R2.2 c1ccc(C2CCCN2)cc1 Amb10808365 [1,0,0,0,0,0|1,0,0]=2 174 B12R2.2 c1ccc(C2CCCN2)cc1 Amb9702996 [1,0,0,0,0,0|1,0,0]=2 175 B12R2.2 c1ccc(C2CCCN2)nc1 Amb21960411 [1,0,0,0,0,0|2,0,0]=3 176 B12R2.2 c1ccc(C2CCCN2)nc1 Amb2235736 [1,0,0,0,0,0|2,0,0]=3 177 B12R2.2 c1ccc(C2CCCN2)nc1 Amb30586497 [1,0,0,0,0,0|2,0,0]=3 178 B12R2.2 c1ccc(C2CCCO2)cc1 Amb17334283 [1,0,0,0,0,0|2,0,0]=3 179 B12R2.2 c1ccc(C2CCC[NH2+]2)cc1 Amb33512932 [1,0,0,0,0,0|1,0,1]=3 180 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10069263 [1,0,0,0,0,0|3,0,0]=4 181 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10072809 [1,0,0,0,0,0|3,0,0]=4 182 B12R2.2 c1ccc(C2CCNC2)cc1 Amb701982 [1,0,0,0,0,0|3,0,0]=4 183 B12R2.2 c1ccc(C2CCSC2)cc1 Amb4140293 [1,0,0,0,0,0|3,0,0]=4 184 B12R2.2 c1ccc(C2CC[NH2+]C2)cc1 Amb4258873 [1,0,0,0,0,0|3,0,0]=4 185 B12R2.2 c1ccc(C2CNCO2)cc1 Amb18065307 [1,0,0,0,0,0|3,0,0]=4 186 B12R2.2 c1ccc(C2NCCN2)nc1 Amb27817731 [1,0,0,0,0,0|3,0,0]=4 187 B12R2.2 c1ccc(C2NCCO2)cc1 Amb17334284 [1,0,0,0,0,0|2,0,0]=3 188 B12R2.2 c1ccc(C2NCCO2)nc1 Amb17334298 [1,0,0,0,0,0|3,0,0]=4 189 B12R2.2 c1ccc(C2NCCP2)cc1 Amb27606514 [1,0,0,0,0,0|2,0,0]=3 190 B12R2.2 c1ccc(C2NCCS2)cc1 Amb3466213 [1,0,0,0,0,0|2,0,0]=3 191 B12R2.2 c1ccc(C2OCCO2)cc1 Amb9786741 [1,0,0,0,0,0|3,0,0]=4 192 B12R2.2 c1ccc(C2SCCS2)cc1 Amb23401446 [1,0,0,0,0,0|3,0,0]=4 193 B12R2.2 c1ccc(N2CCCC2)cc1 Amb8391946 [1,0,0,0,0,0|3,0,0]=4 194 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb20241933 [1,0,0,0,0,0|1,0,0]=2 195 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb8397178 [1,0,0,0,0,0|1,0,0]=2 196 B12R2.2 c1ccc([C@@H]2CCCN2)nc1 Amb22802416 [1,0,0,0,0,0|2,0,0]=3 197 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb19888399 [1,0,0,0,0,0|3,0,0]=4 198 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb27617269 [1,0,0,0,0,0|3,0,0]=4 199 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb20241932 [1,0,0,0,0,0|1,0,0]=2 200 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb8397179 [1,0,0,0,0,0|1,0,0]=2 201 B12R2.2 c1ccc([C@H]2CCCN2)nc1 Amb22754034 [1,0,0,0,0,0|2,0,0]=3 202 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb19887561 [1,0,0,0,0,0|3,0,0]=4 203 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb24183516 [1,0,0,0,0,0|3,0,0]=4 204 B12R2.2 c1ccc([C@H]2COCN2)cc1 Amb25877610 [1,0,0,0,0,0|2,0,0]=3 205 B12R2.2 c1cnc(C2=NCCN2)cn1 Amb26580664 [1,0,0,0,0,0|2,0,1]=4 206 B12R2.2 c1cnc(C2CCCN2)cn1 Amb4135001 [1,0,0,0,0,0|1,0,0]=2 207 B12R2.2 c1cnc(C2CCCN2)nc1 Amb18064229 [1,0,0,0,0,0|3,0,0]=4 208 B12R2.2 c1cnc(C2CCCN2)nc1 Amb28872291 [1,0,0,0,0,0|3,0,0]=4 209 B12R2.2 c1cnc(C2CCCN2)nn1 Amb18224273 [1,0,0,0,0,0|2,0,0]=3 210 B12R2.2 c1cnc(C2CCNC2)cn1 Amb10068866 [1,0,0,0,0,0|3,0,0]=4 211 B12R2.2 c1cnc(C2CCNC2)cn1 Amb29083428 [1,0,0,0,0,0|3,0,0]=4 212 B12R2.2 c1cnc(C2CCNC2)cn1 Amb8009638 [1,0,0,0,0,0|3,0,0]=4 213 B12R2.2 c1cnc(C2NCCS2)cn1 Amb35601001 [1,0,0,0,0,0|2,0,0]=3 214 B12R2.2 c1cnc(N2CCCC2)cn1 Amb27405119 [1,0,0,0,0,0|3,0,0]=4 215 B12R2.2 c1cnc([C@@H]2CCCN2)cn1 Amb27489280 [1,0,0,0,0,0|1,0,0]=2 216 B12R2.2 c1cnc([C@@H]2CCCN2)nc1 Amb27461206 [1,0,0,0,0,0|3,0,0]=4 217 B12R2.2 c1cnc([C@@H]2CCNC2)cn1 Amb27175285 [1,0,0,0,0,0|3,0,0]=4 218 B12R2.2 c1cnc([C@H]2CCCN2)nc1 Amb26008186 [1,0,0,0,0,0|3,0,0]=4 219 B12R2.2 c1cnc([C@H]2CCNC2)cn1 Amb31308314 [1,0,0,0,0,0|3,0,0]=4 220 B12R2.2 c1cncc(C2=NCCC2)c1 Amb561332 [1,0,0,0,0,0|0,0,2]=3 221 B12R2.2 c1cncc(C2=NCCN2)c1 Amb6751796 [1,0,0,0,0,0|1,0,1]=3 222 B12R2.2 c1cncc(C2=NCCO2)c1 Amb10813641 [1,0,0,0,0,0|1,0,2]=4 223 B12R2.2 c1cncc(C2CCCC2)c1 Amb25121665 [1,0,0,0,0,0|1,0,0]=2 224 B12R2.2 c1cncc(C2CCCN2)c1 Amb17659140 [1,0,0,0,0,0|0,0,0]=1 225 B12R2.2 c1cncc(C2CCCN2)c1 Amb32409359 [1,0,0,0,0,0|0,0,0]=1 226 B12R2.2 c1cncc(C2CCCS2)c1 Amb19373816 [1,0,0,0,0,0|1,0,0]=2 227 B12R2.2 c1cncc(C2CCNC2)c1 Amb19958035 [1,0,0,0,0,0|2,0,0]=3 228 B12R2.2 c1cncc(C2CCNC2)c1 Amb22490712 [1,0,0,0,0,0|2,0,0]=3 229 B12R2.2 c1cncc(C2CCNC2)c1 Amb30647467 [1,0,0,0,0,0|2,0,0]=3 230 B12R2.2 c1cncc(C2CCNC2)c1 Amb3938889 [1,0,0,0,0,0|2,0,0]=3 231 B12R2.2 c1cncc(C2CCOC2)c1 Amb24320767 [1,0,0,0,0,0|2,0,0]=3 232 B12R2.2 c1cncc(C2CNCO2)c1 Amb18065317 [1,0,0,0,0,0|2,0,0]=3 233 B12R2.2 c1cncc(C2NCCO2)c1 Amb17334299 [1,0,0,0,0,0|1,0,0]=2 234 B12R2.2 c1cncc(C2NCCS2)c1 Amb7605937 [1,0,0,0,0,0|1,0,0]=2 235 B12R2.2 c1cncc(C2NNCO2)c1 Amb28249019 [1,0,0,0,0,0|2,0,0]=3 236 B12R2.2 c1cncc(C2OCCO2)c1 Amb17334308 [1,0,0,0,0,0|2,0,0]=3 237 B12R2.2 c1cncc(N2CCCC2)c1 Amb8394249 [1,0,0,0,0,0|2,0,0]=3 238 B12R2.2 c1cncc([C@@H]2CCCN2)c1 Amb33871642 [1,0,0,0,0,0|0,0,0]=1 239 B12R2.2 c1cncc([C@@H]2CCCN2)c1 Amb8630852 [1,0,0,0,0,0|0,0,0]=1 240 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb22748224 [1,0,0,0,0,0|0,0,0]=1 241 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb22899133 [1,0,0,0,0,0|0,0,0]=1 242 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb31291285 [1,0,0,0,0,0|0,0,0]=1 243 B12R2.2 c1cnnc(N2CCCN2)c1 Amb27815580 [1,0,0,0,0,0|2,0,0]=3 244 B12R2.2 c1cnnc(N2CCCO2)c1 Amb27198262 [1,0,0,0,0,0|3,0,0]=4 245 B12R2.2 c1ncc(C2=NCCN2)cn1 Amb27784914 [1,0,0,0,0,0|2,0,1]=4 246 B12R2.2 c1ncc(C2CCCN2)cn1 Amb16187083 [1,0,0,0,0,0|1,0,0]=2 247 B12R2.2 c1ncc(C2CCNC2)cn1 Amb18202037 [1,0,0,0,0,0|3,0,0]=4 248 B12R2.2 c1ncc(C2OCCO2)cn1 Amb25710715 [1,0,0,0,0,0|3,0,0]=4 249 B12R2.2 c1ncc(C2OCCS2)cn1 Amb27865355 [1,0,0,0,0,0|3,0,0]=4 250 B14R2.14 BrCC1CCCN1c2cnccn2 Amb27978957 [0,1,0,0,0,0|3,0,0]=4 251 B14R2.14 BrC[C@@H]1CCCN1c2cccnn2 Amb35679890 [0,1,0,0,0,0|3,0,0]=4 252 B14R2.14 BrC[C@@H]1CCCN1c2cnccn2 Amb35679888 [0,1,0,0,0,0|3,0,0]=4 253 B14R2.14 BrC[C@H]1CCCN1c2cccnn2 Amb35729448 [0,1,0,0,0,0|3,0,0]=4 254 B14R2.14 BrC[C@H]1CCCN1c2cnccn2 Amb35729446 [0,1,0,0,0,0|3,0,0]=4 255 B14R2.14 CCC1CCNC1c2ccccc2 Amb3788233 [0,1,0,0,0,0|3,0,0]=4 256 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [0,1,0,0,0,0|3,0,0]=4 257 B14R2.14 CCC1NCCC1c2cccnc2 Amb18285679 [0,1,0,0,0,0|2,0,0]=3 258 B14R2.14 CCC1NCCC1c2cnccn2 Amb35600827 [0,1,0,0,0,0|3,0,0]=4 259 B14R2.14 CCN1CC=CC1c2ccccc2 Amb8389799 [0,1,0,0,0,0|1,0,2]=4 260 B14R2.14 CCN1CCNC1c2ccccc2 Amb27415521 [0,1,0,0,0,0|2,0,0]=3 261 B14R2.14 CCN1CCOC1c2ccccc2 Amb3735629 [0,1,0,0,0,0|2,0,0]=3 262 B14R2.14 CC[C@@H]1CCN[C@H]1c2ccccc2 Amb27437908 [0,1,0,0,0,0|3,0,0]=4 263 B14R2.14 CC[C@H]1CCN[C@H]1c2ccccc2 Amb27623237 [0,1,0,0,0,0|3,0,0]=4 264 B14R2.14 CNC1CCCC1c2ccccc2 Amb18286605 [0,1,0,0,0,0|2,0,0]=3 265 B14R2.14 CNC1CCCC1c2cncnc2 Amb18286608 [0,1,0,0,0,0|2,0,0]=3 266 B14R2.14 CNC1CCOC1c2cccnc2 Amb27469100 [0,1,0,0,0,0|2,0,0]=3 267 B14R2.14 CNC1CCOC1c2cccnc2 Amb32666389 [0,1,0,0,0,0|2,0,0]=3 268 B14R2.14 CNC1COCC1c2ccccc2 Amb35635689 [0,1,0,0,0,0|3,0,0]=4 269 B14R2.14 CNC1COCC1c2cccnc2 Amb35635706 [0,1,0,0,0,0|2,0,0]=3 270 B14R2.14 CNC1COCC1c2cnccn2 Amb35635708 [0,1,0,0,0,0|3,0,0]=4 271 B14R2.14 CNC1COCC1c2cncnc2 Amb35635707 [0,1,0,0,0,0|3,0,0]=4 272 B14R2.14 CN[C@@H]1CCC[C@H]1c2ccccc2 Amb27944980 [0,1,0,0,0,0|2,0,0]=3 273 B14R2.14 CN[C@@H]1CCO[C@H]1c2cccnc2 Amb26652343 [0,1,0,0,0,0|2,0,0]=3 274 B14R2.14 CN[C@@H]1CCO[C@H]1c2cccnc2 Amb28921062 [0,1,0,0,0,0|2,0,0]=3 275 B14R2.14 CN[C@H]1CCO[C@@H]1c2cccnc2 Amb27858543 [0,1,0,0,0,0|2,0,0]=3 276 B14R2.14 COC1=CCNC1c2cccnc2 Amb27180248 [0,1,0,0,0,0|2,0,1]=4 277 B14R2.14 COC1CCNC1c2ccccc2 Amb27646662 [0,1,0,0,0,0|3,0,0]=4 278 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb27419896 [0,1,0,0,0,0|3,0,0]=4 279 B14R2.14 ClCC1CCCC1c2ccccc2 Amb27816406 [0,1,0,0,0,0|2,0,0]=3 280 B14R2.14 ClCC1CCOC1c2cncnc2 Amb27867730 [0,1,0,0,0,0|3,0,0]=4 281 B14R2.14 ClC[C@@H]1CCCN1c2cccnn2 Amb29851409 [0,1,0,0,0,0|3,0,0]=4 282 B14R2.14 ClC[C@@H]1CCCN1c2cnccn2 Amb29851407 [0,1,0,0,0,0|3,0,0]=4 283 B14R2.14 ClC[C@H]1CCCN1c2cccnn2 Amb35680073 [0,1,0,0,0,0|3,0,0]=4 284 B14R2.14 ClC[C@H]1CCCN1c2cnccn2 Amb35680071 [0,1,0,0,0,0|3,0,0]=4 285 B14R2.14 N#CC1CCOC1c2cccnc2 Amb27444910 [0,1,0,0,0,0|2,0,1]=4 286 B14R2.14 NCC1CCCC1c2ccccc2 Amb26980483 [0,1,0,0,0,0|2,0,0]=3 287 B14R2.14 NCC1CCCC1c2ccccc2 Amb28556058 [0,1,0,0,0,0|2,0,0]=3 288 B14R2.14 NCC1CCCN1c2ccccc2 Amb26348846 [0,1,0,0,0,0|3,0,0]=4 289 B14R2.14 NCC1CCCN1c2cccnc2 Amb24403334 [0,1,0,0,0,0|2,0,0]=3 290 B14R2.14 NCC1CCCN1c2cccnn2 Amb18286522 [0,1,0,0,0,0|3,0,0]=4 291 B14R2.14 NCC1CCCN1c2cccnn2 Amb19374393 [0,1,0,0,0,0|3,0,0]=4 292 B14R2.14 NCC1CCCN1c2cnccn2 Amb18286510 [0,1,0,0,0,0|3,0,0]=4 293 B14R2.14 NCC1CCCN1c2cncnc2 Amb25953388 [0,1,0,0,0,0|3,0,0]=4 294 B14R2.14 NCC1CCNC1c2ccccc2 Amb18196530 [0,1,0,0,0,0|3,0,0]=4 295 B14R2.14 NCC1CCOC1c2ccccc2 Amb19335842 [0,1,0,0,0,0|3,0,0]=4 296 B14R2.14 NCC1CCOC1c2ccccc2 Amb32666106 [0,1,0,0,0,0|3,0,0]=4 297 B14R2.14 NCC1COCC1c2ccccc2 Amb27624694 [0,1,0,0,0,0|3,0,0]=4 298 B14R2.14 NCC1OCCC1c2ccccc2 Amb27783508 [0,1,0,0,0,0|3,0,0]=4 299 B14R2.14 NC[C@@H]1CCCN1c2ccccc2 Amb25067823 [0,1,0,0,0,0|3,0,0]=4 300 B14R2.14 NC[C@@H]1CCCN1c2cccnc2 Amb25895841 [0,1,0,0,0,0|2,0,0]=3 301 B14R2.14 NC[C@@H]1CCCN1c2cccnn2 Amb30012636 [0,1,0,0,0,0|3,0,0]=4 302 B14R2.14 NC[C@@H]1CCCN1c2cncnc2 Amb26428815 [0,1,0,0,0,0|3,0,0]=4 303 B14R2.14 NC[C@@H]1CCO[C@@H]1c2ccccc2 Amb34915745 [0,1,0,0,0,0|3,0,0]=4 304 B14R2.14 NC[C@@H]1CCO[C@H]1c2ccccc2 Amb25168772 [0,1,0,0,0,0|3,0,0]=4 305 B14R2.14 NC[C@@H]1CCO[C@H]1c2ccccc2 Amb26838890 [0,1,0,0,0,0|3,0,0]=4 306 B14R2.14 NC[C@H]1CCCN1c2ccccc2 Amb25835774 [0,1,0,0,0,0|3,0,0]=4 307 B14R2.14 NC[C@H]1CCCN1c2cccnc2 Amb25826926 [0,1,0,0,0,0|2,0,0]=3 308 B14R2.14 NC[C@H]1CCCN1c2cccnn2 Amb35680119 [0,1,0,0,0,0|3,0,0]=4 309 B14R2.14 NC[C@H]1CCCN1c2cnccn2 Amb27172791 [0,1,0,0,0,0|3,0,0]=4 310 B14R2.14 NC[C@H]1CCCN1c2cncnc2 Amb26014029 [0,1,0,0,0,0|3,0,0]=4 311 B14R2.14 NC[C@H]1CCO[C@@H]1c2ccccc2 Amb27213895 [0,1,0,0,0,0|3,0,0]=4 312 B14R2.14 NC[C@H]1CCO[C@@H]1c2ccccc2 Amb28926687 [0,1,0,0,0,0|3,0,0]=4 313 B14R2.14 NNC1CCCC1c2ccccc2 Amb27595616 [0,1,0,0,0,0|3,0,0]=4 314 B14R2.14 O=CN1CCCC1c2ccccn2 Amb23444535 [0,1,0,0,0,0|2,0,1]=4 315 B14R2.14 O=NN1CCCC1c2ccccc2 Amb24433812 [0,1,0,0,0,0|2,0,0]=3 316 B14R2.14 O=NN1CCCC1c2cccnc2 Amb22055951 [0,1,0,0,0,0|1,0,0]=2 317 B14R2.14 O=NN1CCC[C@@H]1c2cccnc2 Amb19133427 [0,1,0,0,0,0|1,0,0]=2 318 B14R2.14 O=NN1CCC[C@H]1c2cccnc2 Amb17618604 [0,1,0,0,0,0|1,0,0]=2 319 B14R2.14 OCC1CCCN1c2ccccc2 Amb28363823 [0,1,0,0,0,0|3,0,0]=4 320 B14R2.14 OCC1CCCN1c2cccnn2 Amb18186375 [0,1,0,0,0,0|3,0,0]=4 321 B14R2.14 OCC1CCCN1c2cnccn2 Amb18178700 [0,1,0,0,0,0|3,0,0]=4 322 B14R2.14 OCC1CCOC1c2ccccc2 Amb25118296 [0,1,0,0,0,0|3,0,0]=4 323 B14R2.14 OCC1CNCC1c2ccccc2 Amb9781840 [0,1,0,0,0,0|3,0,0]=4 324 B14R2.14 OCC1NCCC1c2cnccn2 Amb35603023 [0,1,0,0,0,0|3,0,0]=4 325 B14R2.14 OCC1OCCC1c2ccccc2 Amb27604505 [0,1,0,0,0,0|3,0,0]=4 326 B14R2.14 OC[C@@H]1CCCN1c2ccccc2 Amb28048081 [0,1,0,0,0,0|3,0,0]=4 327 B14R2.14 OC[C@@H]1CCCN1c2cccnn2 Amb35704934 [0,1,0,0,0,0|3,0,0]=4 328 B14R2.14 OC[C@@H]1CCCN1c2cnccn2 Amb35704937 [0,1,0,0,0,0|3,0,0]=4 329 B14R2.14 OC[C@@H]1CCC[C@H]1c2ccccc2 Amb27844164 [0,1,0,0,0,0|2,0,0]=3 330 B14R2.14 OC[C@@H]1CCN[C@@H]1c2ccccc2 Amb27632392 [0,1,0,0,0,0|3,0,0]=4 331 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb22756588 [0,1,0,0,0,0|3,0,0]=4 332 B14R2.14 OC[C@@H]1CNC[C@H]1c2ccccc2 Amb35789802 [0,1,0,0,0,0|3,0,0]=4 333 B14R2.14 OC[C@@H]1NCC[C@@H]1c2ccccc2 Amb28066697 [0,1,0,0,0,0|3,0,0]=4 334 B14R2.14 OC[C@@H]1OCC[C@H]1c2ccccc2 Amb27805095 [0,1,0,0,0,0|3,0,0]=4 335 B14R2.14 OC[C@H]1CNC[C@@H]1c2ccccc2 Amb26588980 [0,1,0,0,0,0|3,0,0]=4 336 B14R2.14 OC[C@H]1CNC[C@H]1c2ccccc2 Amb27964542 [0,1,0,0,0,0|3,0,0]=4 337 B14R2.14 O\N=C1\CCCC1c2ccccc2 Amb27783688 [0,1,0,0,0,0|3,0,0]=4 338 B14R2.269 Brc1cccc(C2CCCC2Br)c1 Amb35656664 [0,1,0,0,0,0|3,0,0]=4 339 B14R2.269 CC1CCCC1c2cccc(N)c2 Amb33231718 [0,1,0,0,0,0|2,0,0]=3 340 B14R2.269 CC1CCCN1c2cncc(F)n2 Amb29861594 [0,1,0,0,0,0|3,0,0]=4 341 B14R2.269 CC1CCCN1c2cncc(N)c2 Amb27970339 [0,1,0,0,0,0|2,0,0]=3 342 B14R2.269 CC1CCNC1c2cccc(Br)c2 Amb3790660 [0,1,0,0,0,0|3,0,0]=4 343 B14R2.269 CC1CCNC1c2cccc(Cl)c2 Amb3788592 [0,1,0,0,0,0|3,0,0]=4 344 B14R2.269 CC1CCNC1c2cccc(F)c2 Amb3788288 [0,1,0,0,0,0|3,0,0]=4 345 B14R2.269 CC1CNCC1c2cccc(Br)c2 Amb25758584 [0,1,0,0,0,0|3,0,0]=4 346 B14R2.269 CC1CNCC1c2cccc(Cl)c2 Amb27785193 [0,1,0,0,0,0|3,0,0]=4 347 B14R2.269 CC1CNCC1c2cccc(F)c2 Amb25260167 [0,1,0,0,0,0|3,0,0]=4 348 B14R2.269 CC1NCCC1c2cccc(Br)c2 Amb18156965 [0,1,0,0,0,0|3,0,0]=4 349 B14R2.269 CN1CCCC1C2=NC=CC(=O)N2 Amb35597998 [0,1,0,0,0,0|3,0,0]=4 350 B14R2.269 CN1CCCC1C2=NC=CC(=S)N2 Amb35602529 [0,1,0,0,0,0|3,0,0]=4 351 B14R2.269 CN1CCCC1c2ccc[n+](C)c2 Amb22477243 [0,1,0,0,0,0|0,0,1]=2 352 B14R2.269 CN1CCCC1c2ccc[n+]([O-])c2 Amb17618348 [0,1,0,0,0,0|0,0,1]=2 353 B14R2.269 CN1CCCC1c2cccc(Br)c2 Amb18562882 [0,1,0,0,0,0|1,0,0]=2 354 B14R2.269 CN1CCCC1c2cccc(Br)n2 Amb30527534 [0,1,0,0,0,0|2,0,0]=3 355 B14R2.269 CN1CCCC1c2cccc(Cl)c2 Amb28436074 [0,1,0,0,0,0|1,0,0]=2 356 B14R2.269 CN1CCCC1c2cccc(N)c2 Amb18562868 [0,1,0,0,0,0|1,0,0]=2 357 B14R2.269 CN1CCCC1c2cncc(N)c2 Amb25793227 [0,1,0,0,0,0|0,0,0]=1 358 B14R2.269 CN1CCCC1c2cncc(O)c2 Amb27415106 [0,1,0,0,0,0|0,0,0]=1 359 B14R2.269 CN1CCCC1c2nccc(Cl)n2 Amb35668413 [0,1,0,0,0,0|3,0,0]=4 360 B14R2.269 CN1CCCC1c2nccc(F)n2 Amb35597989 [0,1,0,0,0,0|3,0,0]=4 361 B14R2.269 CN1CCCC1c2nccc(N)n2 Amb35666829 [0,1,0,0,0,0|3,0,0]=4 362 B14R2.269 CN1CCC[C@H]1c2ccc[n+](C)c2 Amb26869488 [0,1,0,0,0,0|0,0,1]=2 363 B14R2.269 CN1CCC[C@H]1c2ccc[n+]([O-])c2 Amb2780005 [0,1,0,0,0,0|0,0,1]=2 364 B14R2.269 CN1CCN=C1c2cccc(O)c2 Amb24382861 [0,1,0,0,0,0|2,0,1]=4 365 B14R2.269 CN1CCOC1c2cccc(Br)c2 Amb17349004 [0,1,0,0,0,0|2,0,0]=3 366 B14R2.269 CN1CCOC1c2cccc(Cl)c2 Amb6382889 [0,1,0,0,0,0|2,0,0]=3 367 B14R2.269 CN1CCOC1c2cccc(O)c2 Amb17335298 [0,1,0,0,0,0|2,0,0]=3 368 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(Br)c2 Amb18156533 [0,1,0,0,0,0|3,0,0]=4 369 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(Cl)c2 Amb18189121 [0,1,0,0,0,0|3,0,0]=4 370 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(F)c2 Amb18194452 [0,1,0,0,0,0|3,0,0]=4 371 B14R2.269 C[C@@H]1CCN[C@H]1c2cccc(O)c2 Amb18195880 [0,1,0,0,0,0|3,0,0]=4 372 B14R2.269 C[C@@H]1CNC[C@H]1c2cccc(Br)c2 Amb18156608 [0,1,0,0,0,0|3,0,0]=4 373 B14R2.269 C[C@H]1CCCN1c2cccc(N)c2 Amb27856122 [0,1,0,0,0,0|3,0,0]=4 374 B14R2.269 C[C@H]1CNC[C@@H]1c2cccc(Br)c2 Amb28401517 [0,1,0,0,0,0|3,0,0]=4 375 B14R2.269 Cc1cc(C2CCCN2C)ccn1 Amb23537210 [0,1,0,0,0,0|2,0,0]=3 376 B14R2.269 Cc1cccc(C2CCCC2=O)c1 Amb18183856 [0,1,0,0,0,0|3,0,0]=4 377 B14R2.269 Cc1cccc(C2CCCC2O)c1 Amb18184091 [0,1,0,0,0,0|3,0,0]=4 378 B14R2.269 Cc1cccc(C2CCCN2N)c1 Amb22288932 [0,1,0,0,0,0|2,0,0]=3 379 B14R2.269 Cc1cccc(C2CCNC2C)c1 Amb18279903 [0,1,0,0,0,0|3,0,0]=4 380 B14R2.269 Cc1cccc(C2CNCC2C)c1 Amb27852146 [0,1,0,0,0,0|3,0,0]=4 381 B14R2.269 Cc1cccc(C2OCCN2C)c1 Amb17335177 [0,1,0,0,0,0|2,0,0]=3 382 B14R2.269 Cc1cccc([C@@H]2CCC[C@H]2O)c1 Amb26846521 [0,1,0,0,0,0|3,0,0]=4 383 B14R2.269 Cc1cccc([C@@H]2NCC[C@H]2C)c1 Amb18197092 [0,1,0,0,0,0|3,0,0]=4 384 B14R2.269 Cc1cccc([C@H]2CCC[C@@H]2N)c1 Amb27628680 [0,1,0,0,0,0|3,0,0]=4 385 B14R2.269 Cc1cccc([C@H]2CCC[C@H]2N)c1 Amb27805153 [0,1,0,0,0,0|3,0,0]=4 386 B14R2.269 Cc1cncc(C2CCCC2O)c1 Amb25870153 [0,1,0,0,0,0|2,0,0]=3 387 B14R2.269 Cc1cncc(C2CNCC2O)c1 Amb32950730 [0,1,0,0,0,0|3,0,0]=4 388 B14R2.269 Cc1cncc(C2COCC2=O)c1 Amb35589715 [0,1,0,0,0,0|3,0,0]=4 389 B14R2.269 Cc1cncc(C2COCC2Br)c1 Amb29877895 [0,1,0,0,0,0|3,0,0]=4 390 B14R2.269 Cc1cncc(C2COCC2Cl)c1 Amb29877837 [0,1,0,0,0,0|3,0,0]=4 391 B14R2.269 Cc1cncc(C2COCC2N)c1 Amb35608413 [0,1,0,0,0,0|3,0,0]=4 392 B14R2.269 Cc1cncc(C2COCC2O)c1 Amb33213780 [0,1,0,0,0,0|3,0,0]=4 393 B14R2.269 Cc1cncc(N2CCCC2C)n1 Amb27432045 [0,1,0,0,0,0|3,0,0]=4 394 B14R2.269 Cc1cncc([C@@H]2CCCN2C)c1 Amb25756912 [0,1,0,0,0,0|0,0,0]=1 395 B14R2.269 Cc1cncc([C@@H]2CCC[C@H]2O)c1 Amb32944740 [0,1,0,0,0,0|2,0,0]=3 396 B14R2.269 Cc1cncc([C@@H]2CNC[C@H]2O)c1 Amb32944523 [0,1,0,0,0,0|3,0,0]=4 397 B14R2.269 Cc1cncc([C@@H]2COC[C@H]2O)c1 Amb32944922 [0,1,0,0,0,0|3,0,0]=4 398 B14R2.269 ClC1CCCC1c2cccc(Br)c2 Amb35656663 [0,1,0,0,0,0|3,0,0]=4 399 B14R2.269 Clc1cccc(C2CCCC2Br)c1 Amb27426673 [0,1,0,0,0,0|3,0,0]=4 400 B14R2.269 Fc1cccc(C2CCCC2Br)c1 Amb28239308 [0,1,0,0,0,0|3,0,0]=4 401 B14R2.269 Fc1cncc(C2COCC2Br)c1 Amb35589995 [0,1,0,0,0,0|3,0,0]=4 402 B14R2.269 Fc1cncc(C2COCC2Cl)c1 Amb29877853 [0,1,0,0,0,0|3,0,0]=4 403 B14R2.269 N=C1CCCN1c2cncc(Cl)c2 Amb35684142 [0,1,0,0,0,0|3,0,0]=4 404 B14R2.269 NC1CCCC1c2cccc(Cl)c2 Amb17506318 [0,1,0,0,0,0|3,0,0]=4 405 B14R2.269 NC1CCCC1c2cccc(O)c2 Amb27464701 [0,1,0,0,0,0|3,0,0]=4 406 B14R2.269 NC1CCOC1c2cncc(Br)c2 Amb26061857 [0,1,0,0,0,0|3,0,0]=4 407 B14R2.269 NC1CCOC1c2cncc(Br)c2 Amb32662657 [0,1,0,0,0,0|3,0,0]=4 408 B14R2.269 NC1COCC1c2cncc(F)c2 Amb35608426 [0,1,0,0,0,0|3,0,0]=4 409 B14R2.269 NN1CCCC1c2cccc(Cl)c2 Amb24595719 [0,1,0,0,0,0|2,0,0]=3 410 B14R2.269 NN1CCCC1c2cccc(F)c2 Amb28317164 [0,1,0,0,0,0|2,0,0]=3 411 B14R2.269 N[C@@H]1CCC[C@@H]1c2cccc(Cl)c2 Amb27661000 [0,1,0,0,0,0|3,0,0]=4 412 B14R2.269 N[C@@H]1CCC[C@H]1c2cccc(I)c2 Amb27273226 [0,1,0,0,0,0|3,0,0]=4 413 B14R2.269 N[C@@H]1CCC[C@H]1c2cccc(O)c2 Amb28197609 [0,1,0,0,0,0|3,0,0]=4 414 B14R2.269 N[C@@H]1CCO[C@H]1c2cncc(Br)c2 Amb26409798 [0,1,0,0,0,0|3,0,0]=4 415 B14R2.269 N[C@@H]1CCO[C@H]1c2cncc(Br)c2 Amb32662544 [0,1,0,0,0,0|3,0,0]=4 416 B14R2.269 N[C@H]1CCC[C@H]1c2cccc(F)c2 Amb27626970 [0,1,0,0,0,0|3,0,0]=4 417 B14R2.269 N[C@H]1CCO[C@@H]1c2cncc(Br)c2 Amb35745766 [0,1,0,0,0,0|3,0,0]=4 418 B14R2.269 Nc1cccc(C2CCCC2=O)c1 Amb25244125 [0,1,0,0,0,0|3,0,0]=4 419 B14R2.269 Nc1cncc(C2CCCC2N)c1 Amb27628695 [0,1,0,0,0,0|2,0,0]=3 420 B14R2.269 O=C1CCCC1c2cccc(Cl)c2 Amb18324830 [0,1,0,0,0,0|3,0,0]=4 421 B14R2.269 O=C1CCCC1c2cccc(F)c2 Amb18184298 [0,1,0,0,0,0|3,0,0]=4 422 B14R2.269 O=C1CCCN1c2cncc(Br)c2 Amb25301472 [0,1,0,0,0,0|3,0,0]=4 423 B14R2.269 O=C1COCC1c2cncc(F)c2 Amb35639154 [0,1,0,0,0,0|3,0,0]=4 424 B14R2.269 OC1CCCC1c2cccc(Br)c2 Amb32945052 [0,1,0,0,0,0|3,0,0]=4 425 B14R2.269 OC1CCCC1c2cccc(Cl)c2 Amb18325168 [0,1,0,0,0,0|3,0,0]=4 426 B14R2.269 OC1CCCC1c2cccc(F)c2 Amb18805022 [0,1,0,0,0,0|3,0,0]=4 427 B14R2.269 OC1CCCC1c2cncc(F)c2 Amb18185005 [0,1,0,0,0,0|2,0,0]=3 428 B14R2.269 OC1CNCC1c2cncc(F)c2 Amb32944995 [0,1,0,0,0,0|3,0,0]=4 429 B14R2.269 OC1COCC1c2cncc(F)c2 Amb33212955 [0,1,0,0,0,0|3,0,0]=4 430 B14R2.269 ON1CCCC1c2cccc(Br)c2 Amb18156198 [0,1,0,0,0,0|2,0,0]=3 431 B14R2.269 O[C@@H]1CCC[C@H]1c2cccc(Br)c2 Amb32944593 [0,1,0,0,0,0|3,0,0]=4 432 B14R2.269 O[C@@H]1CCC[C@H]1c2cccc(Cl)c2 Amb24749593 [0,1,0,0,0,0|3,0,0]=4 433 B14R2.269 O[C@@H]1CCC[C@H]1c2cccc(F)c2 Amb26349297 [0,1,0,0,0,0|3,0,0]=4 434 B14R2.269 O[C@@H]1CCC[C@H]1c2cncc(F)c2 Amb32945243 [0,1,0,0,0,0|2,0,0]=3 435 B14R2.269 O[C@@H]1CNC[C@H]1c2cncc(F)c2 Amb32950417 [0,1,0,0,0,0|3,0,0]=4 436 B14R2.269 O[C@@H]1COC[C@H]1c2cncc(F)c2 Amb32950784 [0,1,0,0,0,0|3,0,0]=4 437 B14R2.269 O[C@H]1CCC[C@@H]1c2cccc(Cl)c2 Amb24514785 [0,1,0,0,0,0|3,0,0]=4 438 B14R2.269 O[C@H]1CCC[C@H]1c2cccc(Cl)c2 Amb27651906 [0,1,0,0,0,0|3,0,0]=4 439 B14R2.269 Oc1cccc(C2CCCC2O)c1 Amb32950779 [0,1,0,0,0,0|3,0,0]=4 440 B14R2.269 Oc1cccc([C@@H]2CCC[C@H]2O)c1 Amb32944796 [0,1,0,0,0,0|3,0,0]=4 441 B14R2.277 CC1=C(c2ccccc2)C(O)CC1 Amb27399910 [0,1,0,0,0,0|2,0,1]=4 442 B14R2.277 CC1CCC(C)N1c2cccnn2 Amb27456069 [0,1,0,0,0,0|3,0,0]=4 443 B14R2.277 CC1CCC(C)N1c2cnccn2 Amb27833300 [0,1,0,0,0,0|3,0,0]=4 444 B14R2.277 CC1CNC(C)C1c2cnccn2 Amb35600829 [0,1,0,0,0,0|3,0,0]=4 445 B14R2.277 CC1CNC(C)C1c2cncnc2 Amb27469039 [0,1,0,0,0,0|3,0,0]=4 446 B14R2.277 CN1CCC(=O)C1c2ccccc2 Amb18197191 [0,1,0,0,0,0|1,0,1]=3 447 B14R2.277 CN1CCC(N)C1c2ccccc2 Amb18196511 [0,1,0,0,0,0|1,0,0]=2 448 B14R2.277 CN1CCC(N)C1c2ccccc2 Amb32412000 [0,1,0,0,0,0|1,0,0]=2 449 B14R2.277 CN1CCC(N)C1c2ccccn2 Amb24440563 [0,1,0,0,0,0|2,0,0]=3 450 B14R2.277 CN1CCC(N)C1c2cccnc2 Amb25677669 [0,1,0,0,0,0|0,0,0]=1 451 B14R2.277 CN1CCC(N)C1c2ccncc2 Amb18195798 [0,1,0,0,0,0|2,0,0]=3 452 B14R2.277 CN1CCC(N)C1c2cnccn2 Amb35602985 [0,1,0,0,0,0|1,0,0]=2 453 B14R2.277 CN1CCC(N)C1c2cncnc2 Amb24651682 [0,1,0,0,0,0|1,0,0]=2 454 B14R2.277 CN1CCN(C)C1c2ccncc2 Amb2781521 [0,1,0,0,0,0|3,0,0]=4 455 B14R2.277 CN1CCN(C)P1c2ccccc2 Amb9809280 [0,1,0,0,0,0|3,0,0]=4 456 B14R2.277 CN1CC[C@@H](N)[C@@H]1c2ccccc2 Amb33033203 [0,1,0,0,0,0|1,0,0]=2 457 B14R2.277 C[C@H]1CCC(=O)[C@@H]1c2ccccc2 Amb27855033 [0,1,0,0,0,0|2,0,1]=4 458 B14R2.296 CC1CCCN1c2ccccc2N Amb18278399 [0,1,0,0,0,0|3,0,0]=4 459 B14R2.296 CC1CCCN1c2ccccc2O Amb28074632 [0,1,0,0,0,0|3,0,0]=4 460 B14R2.296 CC1CCCN1c2cccnc2N Amb27628840 [0,1,0,0,0,0|2,0,0]=3 461 B14R2.296 CC1CCCN1c2nccnc2F Amb29866323 [0,1,0,0,0,0|3,0,0]=4 462 B14R2.296 CC1CCNC1c2ccccc2F Amb3788284 [0,1,0,0,0,0|3,0,0]=4 463 B14R2.296 CC1CNCC1c2ccccc2Br Amb26866817 [0,1,0,0,0,0|3,0,0]=4 464 B14R2.296 CC1CNCC1c2ccccc2Cl Amb27786751 [0,1,0,0,0,0|3,0,0]=4 465 B14R2.296 CC1CNCC1c2ccccc2F Amb25840956 [0,1,0,0,0,0|3,0,0]=4 466 B14R2.296 CC1NCCC1c2ccccc2Br Amb18730965 [0,1,0,0,0,0|3,0,0]=4 467 B14R2.296 CN1CCCC1c2ccccc2Br Amb18064927 [0,1,0,0,0,0|1,0,0]=2 468 B14R2.296 CN1CCCC1c2ccccc2Cl Amb27458507 [0,1,0,0,0,0|1,0,0]=2 469 B14R2.296 CN1CCCC1c2ccccc2N Amb18562887 [0,1,0,0,0,0|1,0,0]=2 470 B14R2.296 CN1CCCC1c2cccnc2Br Amb23444881 [0,1,0,0,0,0|0,0,0]=1 471 B14R2.296 CN1CCCC1c2cccnc2N Amb533741 [0,1,0,0,0,0|0,0,0]=1 472 B14R2.296 CN1CCCC1c2cccnc2N Amb8503787 [0,1,0,0,0,0|0,0,0]=1 473 B14R2.296 CN1CCCC1c2cccnc2S Amb23508036 [0,1,0,0,0,0|0,0,0]=1 474 B14R2.296 CN1CCCC1c2nccnc2Cl Amb20061754 [0,1,0,0,0,0|1,0,0]=2 475 B14R2.296 CN1CCC[C@@H]1C2=CC=CNC2=O Amb27794879 [0,1,0,0,0,0|0,0,1]=2 476 B14R2.296 CN1CCC[C@H]1c2cccc[n+]2[O-] Amb27237334 [0,1,0,0,0,0|2,0,0]=3 477 B14R2.296 CN1CCC[C@H]1c2cccnc2Cl Amb26879069 [0,1,0,0,0,0|0,0,0]=1 478 B14R2.296 CN1CCN\C1=C2\C=CC=CC2=S Amb27402638 [0,1,0,0,0,0|2,0,1]=4 479 B14R2.296 CN1CCOC1c2ccccc2Cl Amb6382888 [0,1,0,0,0,0|2,0,0]=3 480 B14R2.296 CN1CCOC1c2ccccc2F Amb17335481 [0,1,0,0,0,0|2,0,0]=3 481 B14R2.296 CN1CCOC1c2ccccc2O Amb3735631 [0,1,0,0,0,0|2,0,0]=3 482 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2Br Amb18156536 [0,1,0,0,0,0|3,0,0]=4 483 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2Cl Amb18189118 [0,1,0,0,0,0|3,0,0]=4 484 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2F Amb18194451 [0,1,0,0,0,0|3,0,0]=4 485 B14R2.296 C[C@@H]1CCN[C@H]1c2ccccc2O Amb18195878 [0,1,0,0,0,0|3,0,0]=4 486 B14R2.296 C[C@@H]1CNC[C@H]1c2ccccc2Br Amb18156602 [0,1,0,0,0,0|3,0,0]=4 487 B14R2.296 C[C@@H]1CNC[C@H]1c2ccccc2F Amb27967255 [0,1,0,0,0,0|3,0,0]=4 488 B14R2.296 C[C@H]1CCN[C@@H]1c2ccccc2Br Amb27798470 [0,1,0,0,0,0|3,0,0]=4 489 B14R2.296 C[C@H]1CCN[C@@H]1c2ccccc2F Amb27459670 [0,1,0,0,0,0|3,0,0]=4 490 B14R2.296 C[C@H]1CCN[C@@H]1c2ccccc2O Amb27814552 [0,1,0,0,0,0|3,0,0]=4 491 B14R2.296 Cc1ccccc1C2CCCC2O Amb18804577 [0,1,0,0,0,0|3,0,0]=4 492 B14R2.296 Cc1ccccc1C2CCCN2C Amb27762119 [0,1,0,0,0,0|1,0,0]=2 493 B14R2.296 Cc1ccccc1C2CCCN2N Amb22288940 [0,1,0,0,0,0|2,0,0]=3 494 B14R2.296 Cc1ccccc1C2CNCC2C Amb26027825 [0,1,0,0,0,0|3,0,0]=4 495 B14R2.296 Cc1ccccc1C2OCCN2C Amb17335175 [0,1,0,0,0,0|2,0,0]=3 496 B14R2.296 Cc1ccccc1[C@@H]2CCCC2=O Amb28202285 [0,1,0,0,0,0|3,0,0]=4 497 B14R2.296 Cc1ccccc1[C@@H]2CCC[C@H]2N Amb27807445 [0,1,0,0,0,0|3,0,0]=4 498 B14R2.296 Cc1ccccc1[C@@H]2CCC[C@H]2O Amb32945395 [0,1,0,0,0,0|3,0,0]=4 499 B14R2.296 Cc1ccccc1[C@@H]2NCC[C@H]2C Amb18197089 [0,1,0,0,0,0|3,0,0]=4 500 B14R2.296 Cc1ccccc1[C@H]2NCC[C@@H]2C Amb27798483 [0,1,0,0,0,0|3,0,0]=4 501 B14R2.296 Cc1ccncc1C2CCCC2O Amb27439514 [0,1,0,0,0,0|2,0,0]=3 502 B14R2.296 Cc1ccncc1C2CNCC2O Amb32950053 [0,1,0,0,0,0|3,0,0]=4 503 B14R2.296 Cc1ccncc1C2COCC2=O Amb35589716 [0,1,0,0,0,0|3,0,0]=4 504 B14R2.296 Cc1ccncc1C2COCC2Br Amb29877893 [0,1,0,0,0,0|3,0,0]=4 505 B14R2.296 Cc1ccncc1C2COCC2Cl Amb29877835 [0,1,0,0,0,0|3,0,0]=4 506 B14R2.296 Cc1ccncc1C2COCC2N Amb35608391 [0,1,0,0,0,0|3,0,0]=4 507 B14R2.296 Cc1ccncc1C2COCC2O Amb32945417 [0,1,0,0,0,0|3,0,0]=4 508 B14R2.296 Cc1ccncc1N2CCCC2=N Amb27172965 [0,1,0,0,0,0|3,0,0]=4 509 B14R2.296 Cc1ccncc1[C@@H]2CCC[C@H]2O Amb32950336 [0,1,0,0,0,0|2,0,0]=3 510 B14R2.296 Cc1ccncc1[C@@H]2CNC[C@H]2O Amb32944981 [0,1,0,0,0,0|3,0,0]=4 511 B14R2.296 Cc1ccncc1[C@@H]2COC[C@H]2O Amb32950547 [0,1,0,0,0,0|3,0,0]=4 512 B14R2.296 Cc1cnccc1C2CCCN2C Amb23537242 [0,1,0,0,0,0|2,0,0]=3 513 B14R2.296 Cc1ncccc1C2CCCC2O Amb33213742 [0,1,0,0,0,0|2,0,0]=3 514 B14R2.296 Cc1ncccc1C2CCCN2C Amb17617627 [0,1,0,0,0,0|0,0,0]=1 515 B14R2.296 Cc1ncccc1C2CNCC2O Amb32944461 [0,1,0,0,0,0|3,0,0]=4 516 B14R2.296 Cc1ncccc1C2COCC2O Amb32945308 [0,1,0,0,0,0|3,0,0]=4 517 B14R2.296 Cc1ncccc1N2CCCC2=N Amb27771921 [0,1,0,0,0,0|3,0,0]=4 518 B14R2.296 Cc1ncccc1[C@@H]2CCCN2C Amb25082423 [0,1,0,0,0,0|0,0,0]=1 519 B14R2.296 Cc1ncccc1[C@@H]2CCC[C@H]2O Amb32944829 [0,1,0,0,0,0|2,0,0]=3 520 B14R2.296 Cc1ncccc1[C@@H]2CNC[C@H]2O Amb33213105 [0,1,0,0,0,0|3,0,0]=4 521 B14R2.296 Cc1ncccc1[C@@H]2COC[C@H]2O Amb32945684 [0,1,0,0,0,0|3,0,0]=4 522 B14R2.296 Cc1nccnc1C2CCNC2C Amb35600834 [0,1,0,0,0,0|3,0,0]=4 523 B14R2.296 Cc1nccnc1C2CNCC2C Amb35601000 [0,1,0,0,0,0|3,0,0]=4 524 B14R2.296 Fc1ccccc1C2CCCC2Br Amb27751480 [0,1,0,0,0,0|3,0,0]=4 525 B14R2.296 NC1CCCC1c2ccccc2Cl Amb17506317 [0,1,0,0,0,0|3,0,0]=4 526 B14R2.296 NC1CCCC1c2ccccc2I Amb27950963 [0,1,0,0,0,0|3,0,0]=4 527 B14R2.296 NC1CCCC1c2ccccc2O Amb28239391 [0,1,0,0,0,0|3,0,0]=4 528 B14R2.296 NC1CCCC1c2cccnc2Br Amb27406078 [0,1,0,0,0,0|2,0,0]=3 529 B14R2.296 NC1CCCC1c2cccnc2Cl Amb27464061 [0,1,0,0,0,0|2,0,0]=3 530 B14R2.296 NC1CCCC1c2cccnc2O Amb27807410 [0,1,0,0,0,0|2,0,0]=3 531 B14R2.296 NC1CCCC1c2cnccc2Br Amb27951811 [0,1,0,0,0,0|2,0,0]=3 532 B14R2.296 NC1CCCC1c2cnccc2Cl Amb27237105 [0,1,0,0,0,0|2,0,0]=3 533 B14R2.296 NN1CCCC1c2ccccc2Br Amb25045570 [0,1,0,0,0,0|2,0,0]=3 534 B14R2.296 NN1CCCC1c2ccccc2Cl Amb22275426 [0,1,0,0,0,0|2,0,0]=3 535 B14R2.296 NN1CCCC1c2ccccc2F Amb26358510 [0,1,0,0,0,0|2,0,0]=3 536 B14R2.296 N[C@@H]1CCC[C@@H]1c2ccccc2Br Amb27206476 [0,1,0,0,0,0|3,0,0]=4 537 B14R2.296 N[C@@H]1CCC[C@@H]1c2ccccc2F Amb28344706 [0,1,0,0,0,0|3,0,0]=4 538 B14R2.296 N[C@@H]1CCC[C@H]1c2ccccc2O Amb27494858 [0,1,0,0,0,0|3,0,0]=4 539 B14R2.296 N[C@H]1CCC[C@@H]1c2ccccc2Br Amb27653585 [0,1,0,0,0,0|3,0,0]=4 540 B14R2.296 N[C@H]1CCC[C@@H]1c2ccccc2F Amb27628679 [0,1,0,0,0,0|3,0,0]=4 541 B14R2.296 N[C@H]1CCC[C@@H]1c2ccccc2I Amb27223136 [0,1,0,0,0,0|3,0,0]=4 542 B14R2.296 N[C@H]1CCC[C@H]1c2ccccc2Cl Amb27661111 [0,1,0,0,0,0|3,0,0]=4 543 B14R2.296 N[C@H]1CCC[C@H]1c2ccccc2F Amb27970523 [0,1,0,0,0,0|3,0,0]=4 544 B14R2.296 Nc1ccccc1C2CCCC2=O Amb24494851 [0,1,0,0,0,0|3,0,0]=4 545 B14R2.296 Nc1ccccc1C2CCCC2N Amb27247417 [0,1,0,0,0,0|3,0,0]=4 546 B14R2.296 Nc1ccccc1[C@@H]2CCC[C@@H]2N Amb27207688 [0,1,0,0,0,0|3,0,0]=4 547 B14R2.296 Nc1ccccc1[C@H]2CCC[C@@H]2N Amb28138559 [0,1,0,0,0,0|3,0,0]=4 548 B14R2.296 Nc1ccncc1C2CCCC2=O Amb27426983 [0,1,0,0,0,0|2,0,0]=3 549 B14R2.296 Nc1ccncc1C2CCCC2O Amb33213665 [0,1,0,0,0,0|2,0,0]=3 550 B14R2.296 Nc1ccncc1C2CNCC2O Amb33213717 [0,1,0,0,0,0|3,0,0]=4 551 B14R2.296 Nc1ccncc1C2COCC2O Amb33213942 [0,1,0,0,0,0|3,0,0]=4 552 B14R2.296 Nc1ccncc1[C@@H]2CCC[C@H]2O Amb33213830 [0,1,0,0,0,0|2,0,0]=3 553 B14R2.296 Nc1ccncc1[C@@H]2CNC[C@H]2O Amb33213868 [0,1,0,0,0,0|3,0,0]=4 554 B14R2.296 Nc1ccncc1[C@@H]2COC[C@H]2O Amb32944817 [0,1,0,0,0,0|3,0,0]=4 555 B14R2.296 Nc1ncccc1C2CCCC2O Amb32950450 [0,1,0,0,0,0|2,0,0]=3 556 B14R2.296 Nc1ncccc1C2CNCC2O Amb32950093 [0,1,0,0,0,0|3,0,0]=4 557 B14R2.296 Nc1ncccc1C2COCC2O Amb33213093 [0,1,0,0,0,0|3,0,0]=4 558 B14R2.296 Nc1ncccc1[C@@H]2CCC[C@H]2O Amb33213908 [0,1,0,0,0,0|2,0,0]=3 559 B14R2.296 Nc1ncccc1[C@@H]2CNC[C@H]2O Amb32950481 [0,1,0,0,0,0|3,0,0]=4 560 B14R2.296 Nc1ncccc1[C@@H]2COC[C@H]2O Amb32950309 [0,1,0,0,0,0|3,0,0]=4 561 B14R2.296 O=C1CCCC1c2ccccc2Br Amb28124861 [0,1,0,0,0,0|3,0,0]=4 562 B14R2.296 O=C1CCCC1c2ccccc2Cl Amb18324829 [0,1,0,0,0,0|3,0,0]=4 563 B14R2.296 O=C1CCCC1c2ccccc2F Amb18804738 [0,1,0,0,0,0|3,0,0]=4 564 B14R2.296 O=C1CCCC1c2cccnc2Cl Amb27600918 [0,1,0,0,0,0|2,0,0]=3 565 B14R2.296 O=S1CCC[C@@H]1c2ccccc2O Amb27486125 [0,1,0,0,0,0|3,0,0]=4 566 B14R2.296 OC1CCCC1c2ccccc2Cl Amb18325167 [0,1,0,0,0,0|3,0,0]=4 567 B14R2.296 OC1CCCC1c2ccccc2F Amb18805023 [0,1,0,0,0,0|3,0,0]=4 568 B14R2.296 OC1CCCC1c2cccnc2Br Amb32945365 [0,1,0,0,0,0|2,0,0]=3 569 B14R2.296 OC1CNCC1c2cccnc2Br Amb32944329 [0,1,0,0,0,0|3,0,0]=4 570 B14R2.296 OC1COCC1c2cccnc2Br Amb32950620 [0,1,0,0,0,0|3,0,0]=4 571 B14R2.296 O[C@@H]1CCC[C@H]1c2ccccc2Cl Amb33213520 [0,1,0,0,0,0|3,0,0]=4 572 B14R2.296 O[C@@H]1CCC[C@H]1c2ccccc2F Amb33213122 [0,1,0,0,0,0|3,0,0]=4 573 B14R2.296 O[C@@H]1CCC[C@H]1c2cccnc2Br Amb32950429 [0,1,0,0,0,0|2,0,0]=3 574 B14R2.296 O[C@@H]1CNC[C@H]1c2cccnc2Br Amb32944433 [0,1,0,0,0,0|3,0,0]=4 575 B14R2.296 O[C@@H]1COC[C@H]1c2cccnc2Br Amb32944651 [0,1,0,0,0,0|3,0,0]=4 576 B14R2.296 Oc1ccccc1C2CCCC2F Amb27163263 [0,1,0,0,0,0|3,0,0]=4 577 B14R2.296 Oc1ccccc1C2CCCC2O Amb18128181 [0,1,0,0,0,0|3,0,0]=4 578 B14R2.296 Oc1ccccc1[C@@H]2CCC[C@H]2O Amb32950565 [0,1,0,0,0,0|3,0,0]=4 579 B14R2.317 CC1CCCC1(N)c2ccccc2 Amb28041736 [0,1,0,0,0,0|2,0,0]=3 580 B14R2.317 CC1CCCC1(N)c2ccncc2 Amb27229914 [0,1,0,0,0,0|3,0,0]=4 581 B14R2.317 CC1CCCC1(O)c2ccccc2 Amb26628717 [0,1,0,0,0,0|2,0,0]=3 582 B14R2.317 CC1CNCC1(C)c2ccccc2 Amb27856204 [0,1,0,0,0,0|3,0,0]=4 583 B14R2.317 CC1CNCC1(C)c2cccnc2 Amb27475347 [0,1,0,0,0,0|2,0,0]=3 584 B14R2.317 CC1CNCC1(C)c2cnccn2 Amb27874364 [0,1,0,0,0,0|3,0,0]=4 585 B14R2.317 CC1COCC1(O)c2ccccc2 Amb29877586 [0,1,0,0,0,0|3,0,0]=4 586 B14R2.317 CC1COCC1(O)c2cccnc2 Amb29877592 [0,1,0,0,0,0|2,0,0]=3 587 B14R2.317 CC1COCC1(O)c2cnccn2 Amb29877597 [0,1,0,0,0,0|3,0,0]=4 588 B14R2.317 CC1COCC1(O)c2cncnc2 Amb29877610 [0,1,0,0,0,0|3,0,0]=4 589 B14R2.317 CC1CSCC1(O)c2ccccc2 Amb26994970 [0,1,0,0,0,0|3,0,0]=4 590 B14R2.317 CC1NCCC1(O)c2ccccc2 Amb27259241 [0,1,0,0,0,0|3,0,0]=4 591 B14R2.317 CC1NCCC1(O)c2cccnc2 Amb27449842 [0,1,0,0,0,0|2,0,0]=3 592 B14R2.317 CC1NCCC1(O)c2cncnc2 Amb27857223 [0,1,0,0,0,0|3,0,0]=4 593 B14R2.317 CC1OCCC1(O)c2ccccc2 Amb28066255 [0,1,0,0,0,0|3,0,0]=4 594 B14R2.317 CC1OCCC1(O)c2cnccn2 Amb27765969 [0,1,0,0,0,0|3,0,0]=4 595 B14R2.317 CC1SCCC1(O)c2ccccc2 Amb26921619 [0,1,0,0,0,0|3,0,0]=4 596 B14R2.317 C[C@@H]1CCC[C@@]1(C)c2ccccc2 Amb26431459 [0,1,0,0,0,0|2,0,0]=3 597 B14R2.317 C[C@H]1CCC[C@@]1(C)c2ccccc2 Amb24589220 [0,1,0,0,0,0|2,0,0]=3 598 B14R2.317 N[C@@H]1CCC[C@]1(O)c2ccccc2 Amb27983348 [0,1,0,0,0,0|3,0,0]=4 599 B14R2.317 O=C1CCC[C@]1(O)c2ccccc2 Amb28351684 [0,1,0,0,0,0|3,0,0]=4 600 B14R2.317 OC1CCCC1(O)c2ccccc2 Amb28064165 [0,1,0,0,0,0|3,0,0]=4 601 B14R2.333 CC1(C)CCN[C@H]1c2cccnc2 Amb28316841 [0,1,0,0,0,0|2,0,0]=3 602 B14R2.333 CC1(C)CNCC1c2ccccc2 Amb20668392 [0,1,0,0,0,0|3,0,0]=4 603 B14R2.333 CC1(C)CNCC1c2ccccc2 Amb22411380 [0,1,0,0,0,0|3,0,0]=4 604 B14R2.333 CC1(C)NCCC1c2ccccc2 Amb18279937 [0,1,0,0,0,0|3,0,0]=4 605 B14R2.333 CC1(C)NCCC1c2cnccn2 Amb35600828 [0,1,0,0,0,0|3,0,0]=4 606 B14R2.333 CC1(C)NCCC1c2cncnc2 Amb27960585 [0,1,0,0,0,0|3,0,0]=4 607 B14R2.333 CC1(N)CNCC1c2ccccc2 Amb25305802 [0,1,0,0,0,0|3,0,0]=4 608 B14R2.333 C[C@@]1(N)CNC[C@H]1c2ccccc2 Amb32721493 [0,1,0,0,0,0|3,0,0]=4 609 B14R2.333 C[N+]1([O-])CCCC1c2cccnc2 Amb17618346 [0,1,0,0,0,0|0,0,1]=2 610 B14R2.333 C[N+]1([O-])CCC[C@H]1c2cccnc2 Amb17618347 [0,1,0,0,0,0|0,0,1]=2 611 B14R2.333 C[N@+]1([O-])CCC[C@H]1c2cccnc2 Amb24523665 [0,1,0,0,0,0|0,0,1]=2 612 B14R2.333 O=S1(=O)CCCC1c2ccccc2 Amb27395637 [0,1,0,0,0,0|3,0,0]=4 613 B14R2.333 O=S1(=O)CCCN1c2cccnc2 Amb24085081 [0,1,0,0,0,0|3,0,0]=4 614 B14R2.598 CC1CC(=O)CC1c2ccccc2 Amb27409582 [0,1,0,0,0,0|2,0,1]=4 615 B14R2.598 CC1CC(C)N(c2cnccn2)C1 Amb27456044 [0,1,0,0,0,0|3,0,0]=4 616 B14R2.598 CC1CC(Cl)CN1c2cccnn2 Amb27245176 [0,1,0,0,0,0|3,0,0]=4 617 B14R2.598 CC1CC(N)CN1c2ccccc2 Amb19149026 [0,1,0,0,0,0|3,0,0]=4 618 B14R2.598 CC1CC(N)CN1c2cnccn2 Amb28250271 [0,1,0,0,0,0|3,0,0]=4 619 B14R2.598 CC1CC(O)CN1c2cnccn2 Amb27649958 [0,1,0,0,0,0|3,0,0]=4 620 B14R2.598 CC1CC(c2ccccc2)C(C)N1 Amb19375040 [0,1,0,0,0,0|3,0,0]=4 621 B14R2.598 CC1CC(c2ccccc2)C(C)N1 Amb22059523 [0,1,0,0,0,0|3,0,0]=4 622 B14R2.598 CC1CC(c2cccnc2)C(C)N1 Amb27235260 [0,1,0,0,0,0|2,0,0]=3 623 B14R2.598 CC1CC(c2cccnc2)N(C)C1 Amb27953678 [0,1,0,0,0,0|0,0,0]=1 624 B14R2.598 CC1CC(c2cnccn2)C(C)N1 Amb35602972 [0,1,0,0,0,0|3,0,0]=4 625 B14R2.598 CC1NC(=O)CC1c2cccnc2 Amb27263591 [0,1,0,0,0,0|2,0,1]=4 626 B14R2.598 CN1CC(=O)CC1c2ccccc2 Amb23437184 [0,1,0,0,0,0|1,0,1]=3 627 B14R2.598 CN1CC(O)CC1c2cccnc2 Amb27753080 [0,1,0,0,0,0|0,0,0]=1 628 B14R2.598 CN1C[C@@H](N)[C@H](c2cccnc2)C1 Amb27854562 [0,1,0,0,0,0|3,0,0]=4 629 B14R2.598 CN1N=C(Br)CC1c2ccccc2 Amb27842314 [0,1,0,0,0,0|2,0,1]=4 630 B14R2.598 C[C@@H]1CC(=O)N[C@H]1c2cccnc2 Amb27631961 [0,1,0,0,0,0|2,0,1]=4 631 B14R2.598 C[C@@H]1CC(O)O[C@H]1c2ccccc2 Amb27852859 [0,1,0,0,0,0|3,0,0]=4 632 B14R2.598 C[C@H]1CC(=O)C(c2ccccc2)C1 Amb27973094 [0,1,0,0,0,0|3,0,0]=4 633 B14R2.926 Brc1ccc(C2CCCC2Br)cc1 Amb35656659 [0,1,0,0,0,0|3,0,0]=4 634 B14R2.926 CC1CCCN1c2ccc(I)cc2 Amb27609240 [0,1,0,0,0,0|3,0,0]=4 635 B14R2.926 CC1CCCN1c2ccc(N)nc2 Amb18944311 [0,1,0,0,0,0|2,0,0]=3 636 B14R2.926 CC1CCCN1c2cnc(Br)cn2 Amb27796118 [0,1,0,0,0,0|3,0,0]=4 637 B14R2.926 CC1CCCN1c2cnc(Cl)cn2 Amb28343490 [0,1,0,0,0,0|3,0,0]=4 638 B14R2.926 CC1CCNC1c2ccc(Cl)cc2 Amb3788591 [0,1,0,0,0,0|3,0,0]=4 639 B14R2.926 CC1CNCC1c2ccc(Br)cc2 Amb26951628 [0,1,0,0,0,0|3,0,0]=4 640 B14R2.926 CC1CNCC1c2ccc(Br)cc2 Amb32668962 [0,1,0,0,0,0|3,0,0]=4 641 B14R2.926 CC1CNCC1c2ccc(Cl)cc2 Amb27852143 [0,1,0,0,0,0|3,0,0]=4 642 B14R2.926 CC1CNCC1c2ccc(F)cc2 Amb27222707 [0,1,0,0,0,0|3,0,0]=4 643 B14R2.926 CC1NCCC1c2ccc(Br)cc2 Amb18156968 [0,1,0,0,0,0|3,0,0]=4 644 B14R2.926 CC1NCCC1c2ccc(Cl)cc2 Amb18280032 [0,1,0,0,0,0|3,0,0]=4 645 B14R2.926 CN1CCCC1c2ccc(Br)cc2 Amb18562883 [0,1,0,0,0,0|1,0,0]=2 646 B14R2.926 CN1CCCC1c2ccc(Cl)nc2 Amb24065527 [0,1,0,0,0,0|0,0,0]=1 647 B14R2.926 CN1CCCC1c2ccc(F)cc2 Amb23578428 [0,1,0,0,0,0|1,0,0]=2 648 B14R2.926 CN1CCCC1c2ccc(N)cc2 Amb18064921 [0,1,0,0,0,0|1,0,0]=2 649 B14R2.926 CN1CCCC1c2ccc(N)nc2 Amb21953848 [0,1,0,0,0,0|0,0,0]=1 650 B14R2.926 CN1CCCC1c2ccc(N)nc2 Amb4460712 [0,1,0,0,0,0|0,0,0]=1 651 B14R2.926 CN1CCCC1c2ncc(N)cn2 Amb35597985 [0,1,0,0,0,0|3,0,0]=4 652 B14R2.926 CN1CCC[C@@H]1c2ccc(O)nc2 Amb19132667 [0,1,0,0,0,0|0,0,0]=1 653 B14R2.926 CN1CCC[C@H]1c2ccc(Cl)nc2 Amb24490836 [0,1,0,0,0,0|0,0,0]=1 654 B14R2.926 CN1CCC[C@H]1c2ccc(N)cc2 Amb27495637 [0,1,0,0,0,0|1,0,0]=2 655 B14R2.926 CN1CCN=C1c2ccc(N)cc2 Amb27179172 [0,1,0,0,0,0|2,0,1]=4 656 B14R2.926 CN1CCNC1c2ccc(Cl)cc2 Amb27259385 [0,1,0,0,0,0|2,0,0]=3 657 B14R2.926 CN1CCOC1c2ccc(Br)cc2 Amb17349006 [0,1,0,0,0,0|2,0,0]=3 658 B14R2.926 CN1CCOC1c2ccc(Cl)cc2 Amb17337249 [0,1,0,0,0,0|2,0,0]=3 659 B14R2.926 CN1CCOC1c2ccc(F)cc2 Amb17335483 [0,1,0,0,0,0|2,0,0]=3 660 B14R2.926 CN1CCOC1c2ccc(O)cc2 Amb17335296 [0,1,0,0,0,0|2,0,0]=3 661 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(Br)cc2 Amb18156752 [0,1,0,0,0,0|3,0,0]=4 662 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(Cl)cc2 Amb18189119 [0,1,0,0,0,0|3,0,0]=4 663 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(F)cc2 Amb18194450 [0,1,0,0,0,0|3,0,0]=4 664 B14R2.926 C[C@@H]1CCN[C@H]1c2ccc(O)cc2 Amb18195881 [0,1,0,0,0,0|3,0,0]=4 665 B14R2.926 C[C@@H]1CNC[C@H]1c2ccc(Br)cc2 Amb18156605 [0,1,0,0,0,0|3,0,0]=4 666 B14R2.926 C[C@H]1CCN[C@@H]1c2ccc(Br)cc2 Amb27783060 [0,1,0,0,0,0|3,0,0]=4 667 B14R2.926 C[C@H]1CCN[C@@H]1c2ccc(O)cc2 Amb28400112 [0,1,0,0,0,0|3,0,0]=4 668 B14R2.926 Cc1ccc(C2CCCC2=O)cc1 Amb18183857 [0,1,0,0,0,0|3,0,0]=4 669 B14R2.926 Cc1ccc(C2CCCC2=O)cn1 Amb28288625 [0,1,0,0,0,0|2,0,0]=3 670 B14R2.926 Cc1ccc(C2CCCC2Cl)cc1 Amb18324838 [0,1,0,0,0,0|3,0,0]=4 671 B14R2.926 Cc1ccc(C2CCCC2N)cc1 Amb17506310 [0,1,0,0,0,0|3,0,0]=4 672 B14R2.926 Cc1ccc(C2CCCC2O)cc1 Amb18184092 [0,1,0,0,0,0|3,0,0]=4 673 B14R2.926 Cc1ccc(C2CCCC2O)cn1 Amb27248819 [0,1,0,0,0,0|2,0,0]=3 674 B14R2.926 Cc1ccc(C2CCCN2C)cc1 Amb27982626 [0,1,0,0,0,0|1,0,0]=2 675 B14R2.926 Cc1ccc(C2CCCN2N)cc1 Amb22288945 [0,1,0,0,0,0|2,0,0]=3 676 B14R2.926 Cc1ccc(C2CCNC2C)cc1 Amb18947160 [0,1,0,0,0,0|3,0,0]=4 677 B14R2.926 Cc1ccc(C2CCNC2C)cn1 Amb27664555 [0,1,0,0,0,0|2,0,0]=3 678 B14R2.926 Cc1ccc(C2CNCC2C)cc1 Amb25280965 [0,1,0,0,0,0|3,0,0]=4 679 B14R2.926 Cc1ccc(C2CNCC2C)cn1 Amb27787200 [0,1,0,0,0,0|2,0,0]=3 680 B14R2.926 Cc1ccc(C2CNCC2O)cn1 Amb32944978 [0,1,0,0,0,0|3,0,0]=4 681 B14R2.926 Cc1ccc(C2COCC2=O)cn1 Amb35589720 [0,1,0,0,0,0|3,0,0]=4 682 B14R2.926 Cc1ccc(C2COCC2Br)cn1 Amb29877894 [0,1,0,0,0,0|3,0,0]=4 683 B14R2.926 Cc1ccc(C2COCC2Cl)cn1 Amb29877836 [0,1,0,0,0,0|3,0,0]=4 684 B14R2.926 Cc1ccc(C2COCC2N)cn1 Amb35608408 [0,1,0,0,0,0|3,0,0]=4 685 B14R2.926 Cc1ccc(C2COCC2O)cn1 Amb32950083 [0,1,0,0,0,0|3,0,0]=4 686 B14R2.926 Cc1ccc(C2NCCC2C)cc1 Amb3788236 [0,1,0,0,0,0|3,0,0]=4 687 B14R2.926 Cc1ccc(C2OCCN2C)cc1 Amb6359333 [0,1,0,0,0,0|2,0,0]=3 688 B14R2.926 Cc1ccc(N2CCCC2=N)cn1 Amb27618261 [0,1,0,0,0,0|3,0,0]=4 689 B14R2.926 Cc1ccc([C@@H]2CCCN2C)cn1 Amb27639225 [0,1,0,0,0,0|0,0,0]=1 690 B14R2.926 Cc1ccc([C@@H]2CCC[C@@H]2O)cc1 Amb27184487 [0,1,0,0,0,0|3,0,0]=4 691 B14R2.926 Cc1ccc([C@@H]2CCC[C@H]2N)cc1 Amb27628698 [0,1,0,0,0,0|3,0,0]=4 692 B14R2.926 Cc1ccc([C@@H]2CCC[C@H]2O)cc1 Amb25075752 [0,1,0,0,0,0|3,0,0]=4 693 B14R2.926 Cc1ccc([C@@H]2CCC[C@H]2O)cn1 Amb32951055 [0,1,0,0,0,0|2,0,0]=3 694 B14R2.926 Cc1ccc([C@@H]2CNC[C@H]2O)cn1 Amb32944673 [0,1,0,0,0,0|3,0,0]=4 695 B14R2.926 Cc1ccc([C@@H]2COC[C@H]2O)cn1 Amb32945661 [0,1,0,0,0,0|3,0,0]=4 696 B14R2.926 Cc1ccc([C@@H]2NCC[C@H]2C)cc1 Amb18197091 [0,1,0,0,0,0|3,0,0]=4 697 B14R2.926 Cc1ccc([C@H]2CCC[C@@H]2N)cc1 Amb27626559 [0,1,0,0,0,0|3,0,0]=4 698 B14R2.926 ClC1CCCC1c2ccc(Br)cc2 Amb35656658 [0,1,0,0,0,0|3,0,0]=4 699 B14R2.926 NC1CCCC1c2ccc(Br)cc2 Amb24491284 [0,1,0,0,0,0|3,0,0]=4 700 B14R2.926 NC1CCCC1c2ccc(Br)cc2 Amb33299408 [0,1,0,0,0,0|3,0,0]=4 701 B14R2.926 NC1CCCC1c2ccc(Br)nc2 Amb27410648 [0,1,0,0,0,0|2,0,0]=3 702 B14R2.926 NC1CCCC1c2ccc(Cl)cc2 Amb17506319 [0,1,0,0,0,0|3,0,0]=4 703 B14R2.926 NC1CCCC1c2ccc(Cl)cc2 Amb19148118 [0,1,0,0,0,0|3,0,0]=4 704 B14R2.926 NC1CCCC1c2ccc(Cl)nc2 Amb27469903 [0,1,0,0,0,0|2,0,0]=3 705 B14R2.926 NC1CCCC1c2ccc(F)cc2 Amb17506316 [0,1,0,0,0,0|3,0,0]=4 706 B14R2.926 NC1CCCC1c2ccc(F)cc2 Amb19148120 [0,1,0,0,0,0|3,0,0]=4 707 B14R2.926 NC1CCCC1c2ccc(F)nc2 Amb27191876 [0,1,0,0,0,0|2,0,0]=3 708 B14R2.926 NC1CCCC1c2ccc(I)cc2 Amb25726465 [0,1,0,0,0,0|3,0,0]=4 709 B14R2.926 NC1CCCC1c2ccc(O)nc2 Amb27811877 [0,1,0,0,0,0|2,0,0]=3 710 B14R2.926 NC1CNCC1c2ccc(Br)nc2 Amb27216487 [0,1,0,0,0,0|3,0,0]=4 711 B14R2.926 NN1CCCC1c2ccc(Br)cc2 Amb28047443 [0,1,0,0,0,0|2,0,0]=3 712 B14R2.926 NN1CCCC1c2ccc(Cl)cc2 Amb22275656 [0,1,0,0,0,0|2,0,0]=3 713 B14R2.926 NN1CCCC1c2ccc(F)cc2 Amb25999083 [0,1,0,0,0,0|2,0,0]=3 714 B14R2.926 N[C@@H]1CCC[C@@H]1c2ccc(Cl)cc2 Amb26621056 [0,1,0,0,0,0|3,0,0]=4 715 B14R2.926 N[C@@H]1CCC[C@@H]1c2ccc(F)cc2 Amb27627815 [0,1,0,0,0,0|3,0,0]=4 716 B14R2.926 N[C@@H]1CCC[C@H]1c2ccc(F)cc2 Amb28594266 [0,1,0,0,0,0|3,0,0]=4 717 B14R2.926 N[C@H]1CCC[C@@H]1c2ccc(F)cc2 Amb28430452 [0,1,0,0,0,0|3,0,0]=4 718 B14R2.926 N[C@H]1CCC[C@@H]1c2ccc(I)cc2 Amb27788880 [0,1,0,0,0,0|3,0,0]=4 719 B14R2.926 N[C@H]1CCC[C@@H]1c2ccc(O)cc2 Amb27206716 [0,1,0,0,0,0|3,0,0]=4 720 B14R2.926 N[C@H]1CCC[C@H]1c2ccc(Cl)cc2 Amb28323008 [0,1,0,0,0,0|3,0,0]=4 721 B14R2.926 N[C@H]1CCC[C@H]1c2ccc(I)cc2 Amb25912669 [0,1,0,0,0,0|3,0,0]=4 722 B14R2.926 Nc1ccc(C2CCCC2=O)cc1 Amb27415589 [0,1,0,0,0,0|3,0,0]=4 723 B14R2.926 Nc1ccc(C2CCCC2Cl)cc1 Amb27791881 [0,1,0,0,0,0|3,0,0]=4 724 B14R2.926 Nc1ccc(N2CCCC2=O)cn1 Amb20668444 [0,1,0,0,0,0|3,0,0]=4 725 B14R2.926 Nc1ccc([C@H]2CCC[C@H]2N)cc1 Amb27970502 [0,1,0,0,0,0|3,0,0]=4 726 B14R2.926 O=C1CCCC1c2ccc(Br)cc2 Amb25826091 [0,1,0,0,0,0|3,0,0]=4 727 B14R2.926 O=C1CCCC1c2ccc(Br)nc2 Amb27630332 [0,1,0,0,0,0|2,0,0]=3 728 B14R2.926 O=C1CCCC1c2ccc(Cl)cc2 Amb18324828 [0,1,0,0,0,0|3,0,0]=4 729 B14R2.926 O=C1CCCC1c2ccc(F)cc2 Amb18184299 [0,1,0,0,0,0|3,0,0]=4 730 B14R2.926 O=C1CCCN1c2ccc(Br)nc2 Amb20617528 [0,1,0,0,0,0|3,0,0]=4 731 B14R2.926 O=C1CCCN1c2ccc(Cl)nc2 Amb26454506 [0,1,0,0,0,0|3,0,0]=4 732 B14R2.926 OC1CCCC1c2ccc(Br)cc2 Amb32945263 [0,1,0,0,0,0|3,0,0]=4 733 B14R2.926 OC1CCCC1c2ccc(Cl)cc2 Amb18325166 [0,1,0,0,0,0|3,0,0]=4 734 B14R2.926 OC1CCCC1c2ccc(F)cc2 Amb18184737 [0,1,0,0,0,0|3,0,0]=4 735 B14R2.926 ON1CCCC1c2ccc(Br)cc2 Amb18728518 [0,1,0,0,0,0|2,0,0]=3 736 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(Br)cc2 Amb32950095 [0,1,0,0,0,0|3,0,0]=4 737 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(Cl)cc2 Amb26419931 [0,1,0,0,0,0|3,0,0]=4 738 B14R2.926 O[C@@H]1CCC[C@H]1c2ccc(F)cc2 Amb27422635 [0,1,0,0,0,0|3,0,0]=4 739 B14R2.926 Oc1ccc(C2CCCC2O)cc1 Amb32944445 [0,1,0,0,0,0|3,0,0]=4 740 B14R2.926 Oc1ccc([C@@H]2CCC[C@H]2O)cc1 Amb32950323 [0,1,0,0,0,0|3,0,0]=4 741 B14R2.4514 CC1C(=O)CCC1c2ccccc2 Amb24051457 [0,1,0,0,0,0|2,0,1]=4 742 B14R2.4514 CC1C(Br)CCC1c2ccccc2 Amb28461113 [0,1,0,0,0,0|2,0,0]=3 743 B14R2.4514 CC1C(Br)CCC1c2cnccn2 Amb28243593 [0,1,0,0,0,0|2,0,0]=3 744 B14R2.4514 CC1C(N)CCN1c2cccnn2 Amb27757545 [0,1,0,0,0,0|3,0,0]=4 745 B14R2.4514 CC1C(O)CCC1c2ccccc2 Amb27607035 [0,1,0,0,0,0|2,0,0]=3 746 B14R2.4514 CC1C(O)CCC1c2cnccn2 Amb27244262 [0,1,0,0,0,0|2,0,0]=3 747 B14R2.4514 CC1CCN(c2cnccn2)C1C Amb27205984 [0,1,0,0,0,0|3,0,0]=4 748 B14R2.4514 CC1CNC(c2ccccc2)C1C Amb27620724 [0,1,0,0,0,0|3,0,0]=4 749 B14R2.4514 CN1C(=O)CCC1c2ccccn2 Amb10069450 [0,1,0,0,0,0|2,0,1]=4 750 B14R2.4514 CN1C(=O)CCC1c2ccccn2 Amb24064826 [0,1,0,0,0,0|2,0,1]=4 751 B14R2.4514 CN1C(=O)CCC1c2cccnc2 Amb10845303 [0,1,0,0,0,0|0,0,1]=2 752 B14R2.4514 CN1C(=O)CC[C@@H]1c2cccnc2 Amb10071651 [0,1,0,0,0,0|0,0,1]=2 753 B14R2.4514 CN1C(=O)CC[C@H]1c2cccnc2 Amb536023 [0,1,0,0,0,0|0,0,1]=2 754 B14R2.4514 CN1C(=O)CNC1c2ccccc2 Amb25964177 [0,1,0,0,0,0|2,0,1]=4 755 B14R2.4514 CN1C(=O)NCC1c2ccccc2 Amb25218843 [0,1,0,0,0,0|2,0,1]=4 756 B14R2.4514 CN1C(=O)NCC1c2cccnc2 Amb25689003 [0,1,0,0,0,0|1,0,1]=3 757 B14R2.4514 CN1C(=O)OC[C@H]1c2ccccc2 Amb28463841 [0,1,0,0,0,0|2,0,1]=4 758 B14R2.4514 CN1C(N)=NCC1c2cncnc2 Amb27483588 [0,1,0,0,0,0|2,0,1]=4 759 B14R2.4514 C[C@@H]1[C@H](Cl)CO[C@@H]1c2ccccc2 Amb28052058 [0,1,0,0,0,0|3,0,0]=4 760 B14R2.4514 C[C@H]1C(=O)CC[C@@H]1c2ccccc2 Amb27428256 [0,1,0,0,0,0|2,0,1]=4 761 B14R2.4514 C[C@H]1[C@H](Cl)CO[C@H]1c2ccccc2 Amb28051839 [0,1,0,0,0,0|3,0,0]=4 762 B14R2.4514 C[C@H]1[C@H](O)CC[C@H]1c2ccccc2 Amb28321346 [0,1,0,0,0,0|2,0,0]=3 763 B14R2.4514 O=C1C(Br)CCN1c2cccnc2 Amb19892267 [0,1,0,0,0,0|3,0,0]=4 764 B14R2.4514 OC1CCC(c2ccccc2)C1O Amb28318736 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.3 C#CCC(NC)c1ccccc1 Amb18800161 [0,0,1,0,0,0|1,0,2]=4 766 B12R1.3 C#CCC(NC)c1ccccc1 Amb19514703 [0,0,1,0,0,0|1,0,2]=4 767 B12R1.3 C#CCC(NC)c1ccnnc1 Amb27840835 [0,0,1,0,0,0|1,0,2]=4 768 B12R1.3 C#CCC(NN)c1cccnc1 Amb27247884 [0,0,1,0,0,0|1,0,2]=4 769 B12R1.3 CCC(CCN)c1ccccc1 Amb5739026 [0,0,1,0,0,0|3,0,0]=4 770 B12R1.3 CCC(CCO)c1ccccc1 Amb17232488 [0,0,1,0,0,0|3,0,0]=4 771 B12R1.3 CCC(CNC)c1ccccc1 Amb8841502 [0,0,1,0,0,0|3,0,0]=4 772 B12R1.3 CCCC(C#N)c1ccccc1 Amb2720802 [0,0,1,0,0,0|3,0,0]=4 773 B12R1.3 CCCC(C#N)c1cnccn1 Amb24613112 [0,0,1,0,0,0|3,0,0]=4 774 B12R1.3 CCCC(C=O)c1ccccc1 Amb17594046 [0,0,1,0,0,0|3,0,0]=4 775 B12R1.3 CCCC(CBr)c1ccccc1 Amb17247626 [0,0,1,0,0,0|3,0,0]=4 776 B12R1.3 CCCC(CC)c1ccccc1 Amb9787575 [0,0,1,0,0,0|2,0,0]=3 777 B12R1.3 CCCC(CCl)c1ccccc1 Amb17233968 [0,0,1,0,0,0|3,0,0]=4 778 B12R1.3 CCCC(CN)c1ccccc1 Amb8950183 [0,0,1,0,0,0|3,0,0]=4 779 B12R1.3 CCCC(CO)c1ccccc1 Amb17232487 [0,0,1,0,0,0|3,0,0]=4 780 B12R1.3 CCCC(NC)c1ccccn1 Amb18792590 [0,0,1,0,0,0|2,0,0]=3 781 B12R1.3 CCCC(NC)c1cccnc1 Amb18792591 [0,0,1,0,0,0|0,0,0]=1 782 B12R1.3 CCNC(C#N)c1cccnc1 Amb9205136 [0,0,1,0,0,0|3,0,0]=4 783 B12R1.3 CCNC(CC)c1ccccc1 Amb9721097 [0,0,1,0,0,0|3,0,0]=4 784 B12R1.3 CNC(CC#N)c1ccccc1 Amb18997456 [0,0,1,0,0,0|2,0,1]=4 785 B12R1.3 CNC(CCO)c1ccccc1 Amb18563697 [0,0,1,0,0,0|2,0,0]=3 786 B12R1.3 CNC(COC)c1ccccn1 Amb10607923 [0,0,1,0,0,0|3,0,0]=4 787 B12R1.3 CNCC(OC)c1ccccc1 Amb17605856 [0,0,1,0,0,0|3,0,0]=4 788 B12R1.3 COC(CCN)c1ccccc1 Amb17334641 [0,0,1,0,0,0|3,0,0]=4 789 B12R1.3 N#CC(CCO)c1cccnc1 Amb17334563 [0,0,1,0,0,0|3,0,0]=4 790 B12R1.3 NCC(CCO)c1cccnc1 Amb17232607 [0,0,1,0,0,0|3,0,0]=4 791 B12R1.3 NCCC(CN)c1cccnc1 Amb17232561 [0,0,1,0,0,0|3,0,0]=4 792 B12R1.8 BrCCCCCc1ccccc1 Amb2685449 [0,0,1,0,0,0|3,0,0]=4 793 B12R1.8 C#CCCCCc1ccccc1 Amb18116407 [0,0,1,0,0,0|2,0,1]=4 794 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [0,0,1,0,0,0|2,0,1]=4 795 B12R1.8 CC#CCCCc1ccccc1 Amb4035132 [0,0,1,0,0,0|2,0,1]=4 796 B12R1.8 CCCCCCc1ccccc1 Amb6613187 [0,0,1,0,0,0|2,0,0]=3 797 B12R1.8 CCCCCCc1ccccn1 Amb6357996 [0,0,1,0,0,0|3,0,0]=4 798 B12R1.8 CCCCCCc1cccnc1 Amb10807465 [0,0,1,0,0,0|1,0,0]=2 799 B12R1.8 CCCCCCc1ccncc1 Amb22235257 [0,0,1,0,0,0|3,0,0]=4 800 B12R1.8 CCCCCCc1cnccn1 Amb22235243 [0,0,1,0,0,0|2,0,0]=3 801 B12R1.8 CCCCCOc1ccccc1 Amb1106330 [0,0,1,0,0,0|3,0,0]=4 802 B12R1.8 CCCCNCc1ccccc1 Amb2684625 [0,0,1,0,0,0|3,0,0]=4 803 B12R1.8 CCCCNCc1cccnc1 Amb20673559 [0,0,1,0,0,0|2,0,0]=3 804 B12R1.8 CCCCNCc1cccnc1 Amb6690982 [0,0,1,0,0,0|2,0,0]=3 805 B12R1.8 CCCCNCc1cccnc1 Amb6864497 [0,0,1,0,0,0|2,0,0]=3 806 B12R1.8 CCCCNCc1cncnc1 Amb18798471 [0,0,1,0,0,0|3,0,0]=4 807 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [0,0,1,0,0,0|3,0,0]=4 808 B12R1.8 CCCNCCc1ccccc1 Amb4358610 [0,0,1,0,0,0|3,0,0]=4 809 B12R1.8 CCNCCCc1ccccc1 Amb2094490 [0,0,1,0,0,0|3,0,0]=4 810 B12R1.8 CCNCCCc1ccccc1 Amb6247947 [0,0,1,0,0,0|3,0,0]=4 811 B12R1.8 CNCCC#Cc1cnccn1 Amb35738502 [0,0,1,0,0,0|1,0,2]=4 812 B12R1.8 CNCCC#Cc1cncnc1 Amb35738501 [0,0,1,0,0,0|1,0,2]=4 813 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [0,0,1,0,0,0|1,0,0]=2 814 B12R1.8 CNCCCCc1ccccc1 Amb8841760 [0,0,1,0,0,0|1,0,0]=2 815 B12R1.8 CNCCCNc1ccccc1 Amb13951704 [0,0,1,0,0,0|2,0,0]=3 816 B12R1.8 CNCCCOc1ccccc1 Amb30982582 [0,0,1,0,0,0|2,0,0]=3 817 B12R1.8 CNCCCOc1ccccc1 Amb6893131 [0,0,1,0,0,0|2,0,0]=3 818 B12R1.8 CNCCCSc1ccccc1 Amb10608730 [0,0,1,0,0,0|2,0,0]=3 819 B12R1.8 CNCCCSc1ccccc1 Amb22588097 [0,0,1,0,0,0|2,0,0]=3 820 B12R1.8 CNCCNCc1ccccc1 Amb9200691 [0,0,1,0,0,0|2,0,0]=3 821 B12R1.8 CNCCNCc1ccccn1 Amb18798456 [0,0,1,0,0,0|3,0,0]=4 822 B12R1.8 CNCCNCc1cccnc1 Amb18798457 [0,0,1,0,0,0|1,0,0]=2 823 B12R1.8 CNCCNCc1ccncc1 Amb20414384 [0,0,1,0,0,0|3,0,0]=4 824 B12R1.8 CNCCOCc1ccccc1 Amb20668782 [0,0,1,0,0,0|2,0,0]=3 825 B12R1.8 CNCCOCc1ccccc1 Amb6374318 [0,0,1,0,0,0|2,0,0]=3 826 B12R1.8 CNCCSCc1ccccc1 Amb18809641 [0,0,1,0,0,0|2,0,0]=3 827 B12R1.8 CNCCSCc1ccccn1 Amb21984677 [0,0,1,0,0,0|3,0,0]=4 828 B12R1.8 CNCCSCc1cccnc1 Amb21984678 [0,0,1,0,0,0|1,0,0]=2 829 B12R1.8 CNCC\C=C\c1ccccc1 Amb32954379 [0,0,1,0,0,0|1,0,2]=4 830 B12R1.8 CNCC\C=C\c1cccnc1 Amb22369962 [0,0,1,0,0,0|0,0,2]=3 831 B12R1.8 CNCC\C=C\c1cncnc1 Amb31184715 [0,0,1,0,0,0|1,0,2]=4 832 B12R1.8 COCCCNc1ccccc1 Amb17232551 [0,0,1,0,0,0|3,0,0]=4 833 B12R1.8 COCCCNc1cncnc1 Amb18270117 [0,0,1,0,0,0|3,0,0]=4 834 B12R1.8 COCCNCc1ccccc1 Amb33387674 [0,0,1,0,0,0|3,0,0]=4 835 B12R1.8 COCCNCc1ccccc1 Amb6410960 [0,0,1,0,0,0|3,0,0]=4 836 B12R1.8 COCCNCc1cccnc1 Amb2592096 [0,0,1,0,0,0|2,0,0]=3 837 B12R1.8 COCCNCc1cccnc1 Amb6865386 [0,0,1,0,0,0|2,0,0]=3 838 B12R1.8 COCCOCc1ccccc1 Amb27467682 [0,0,1,0,0,0|3,0,0]=4 839 B12R1.8 CONCCCc1ccccc1 Amb32411014 [0,0,1,0,0,0|3,0,0]=4 840 B12R1.8 CSCCCNc1cccnc1 Amb28555677 [0,0,1,0,0,0|2,0,0]=3 841 B12R1.8 CSCCCNc1cccnc1 Amb6719789 [0,0,1,0,0,0|2,0,0]=3 842 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [0,0,1,0,0,0|3,0,0]=4 843 B12R1.8 ClCCCNCc1cccnc1 Amb20573314 [0,0,1,0,0,0|3,0,0]=4 844 B12R1.8 ICCCCCc1ccccc1 Amb32411025 [0,0,1,0,0,0|3,0,0]=4 845 B12R1.8 N#CCCCCc1ccccc1 Amb8392139 [0,0,1,0,0,0|3,0,0]=4 846 B12R1.8 N#CCCNCc1cccnc1 Amb1651452 [0,0,1,0,0,0|3,0,0]=4 847 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [0,0,1,0,0,0|3,0,0]=4 848 B12R1.8 NCCCCOc1cccnc1 Amb9392841 [0,0,1,0,0,0|3,0,0]=4 849 B12R1.8 NCCCNCc1cccnc1 Amb17315286 [0,0,1,0,0,0|3,0,0]=4 850 B12R1.8 NNCCCOc1ccccc1 Amb19373220 [0,0,1,0,0,0|3,0,0]=4 851 B12R1.8 NNCCCOc1ccccc1 Amb33624816 [0,0,1,0,0,0|3,0,0]=4 852 B12R1.8 NNCCOCc1ccccc1 Amb27255784 [0,0,1,0,0,0|3,0,0]=4 853 B12R1.8 NNCCOCc1ccccc1 Amb32668730 [0,0,1,0,0,0|3,0,0]=4 854 B12R1.8 O=C=NCCCc1cccnc1 Amb31094170 [0,0,1,0,0,0|3,0,0]=4 855 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [0,0,1,0,0,0|3,0,0]=4 856 B12R1.8 OCCCNCc1cccnc1 Amb2114454 [0,0,1,0,0,0|3,0,0]=4 857 B12R1.8 OCCCNCc1cccnc1 Amb33527208 [0,0,1,0,0,0|3,0,0]=4 858 B12R1.8 ONCCCCc1ccccc1 Amb32679349 [0,0,1,0,0,0|2,0,0]=3 859 B12R1.8 ONCCCCc1ccccc1 Amb32679459 [0,0,1,0,0,0|2,0,0]=3 860 B12R1.8 [C-]#[N+]CCCCc1ccccc1 Amb2690273 [0,0,1,0,0,0|1,0,2]=4 861 B12R1.32 C#CCN(C)Cc1ccccc1 Amb3940470 [0,0,1,0,0,0|1,0,2]=4 862 B12R1.32 C#CCN(C)Cc1ccccc1 Amb8390240 [0,0,1,0,0,0|1,0,2]=4 863 B12R1.32 C#CCN(C)Cc1cccnc1 Amb18800404 [0,0,1,0,0,0|0,0,2]=3 864 B12R1.32 C=CCN(C)Cc1ccccc1 Amb6360694 [0,0,1,0,0,0|1,0,2]=4 865 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [0,0,1,0,0,0|3,0,0]=4 866 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [0,0,1,0,0,0|3,0,0]=4 867 B12R1.32 CCCC(=N)Nc1cccnc1 Amb27973325 [0,0,1,0,0,0|3,0,0]=4 868 B12R1.32 CCCC(=O)Cc1ccccc1 Amb3940679 [0,0,1,0,0,0|3,0,0]=4 869 B12R1.32 CCCC(C)Nc1ccccc1 Amb6685188 [0,0,1,0,0,0|3,0,0]=4 870 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [0,0,1,0,0,0|3,0,0]=4 871 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [0,0,1,0,0,0|3,0,0]=4 872 B12R1.32 CCNC(C)Cc1cnccn1 Amb1995172 [0,0,1,0,0,0|3,0,0]=4 873 B12R1.32 CCOC(=O)Cc1cccnc1 Amb6356440 [0,0,1,0,0,0|3,0,0]=4 874 B12R1.32 CN(CC#N)Cc1ccccc1 Amb5781387 [0,0,1,0,0,0|2,0,1]=4 875 B12R1.32 CN(CC#N)Cc1cccnc1 Amb9426260 [0,0,1,0,0,0|1,0,1]=3 876 B12R1.32 CN(CC#N)Cc1cnccn1 Amb35678254 [0,0,1,0,0,0|2,0,1]=4 877 B12R1.32 CN(CC#N)Cc1cncnc1 Amb28345195 [0,0,1,0,0,0|2,0,1]=4 878 B12R1.32 CN(CC=O)Cc1ccccc1 Amb18800711 [0,0,1,0,0,0|2,0,1]=4 879 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [0,0,1,0,0,0|2,0,0]=3 880 B12R1.32 CN(CCBr)Cc1ccccc1 Amb32882453 [0,0,1,0,0,0|2,0,0]=3 881 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [0,0,1,0,0,0|2,0,0]=3 882 B12R1.32 CN(CCCl)Cc1ccccc1 Amb3940690 [0,0,1,0,0,0|2,0,0]=3 883 B12R1.32 CN(CCCl)Cc1ccccn1 Amb17335728 [0,0,1,0,0,0|3,0,0]=4 884 B12R1.32 CN(CCCl)Cc1cccnc1 Amb17335729 [0,0,1,0,0,0|1,0,0]=2 885 B12R1.32 CN(CCCl)Cc1ccncc1 Amb17335730 [0,0,1,0,0,0|3,0,0]=4 886 B12R1.32 CN(CCN)Cc1ccccc1 Amb5357836 [0,0,1,0,0,0|2,0,0]=3 887 B12R1.32 CN(CCN)Cc1ccccn1 Amb8956764 [0,0,1,0,0,0|3,0,0]=4 888 B12R1.32 CN(CCN)Cc1cccnc1 Amb8956763 [0,0,1,0,0,0|1,0,0]=2 889 B12R1.32 CN(CCN)Cc1ccncc1 Amb8956770 [0,0,1,0,0,0|3,0,0]=4 890 B12R1.32 CN(CCN)Cc1cnccn1 Amb18313626 [0,0,1,0,0,0|2,0,0]=3 891 B12R1.32 CN(CCO)Cc1ccccc1 Amb3938987 [0,0,1,0,0,0|2,0,0]=3 892 B12R1.32 CN(CCO)Cc1ccccn1 Amb9428674 [0,0,1,0,0,0|3,0,0]=4 893 B12R1.32 CN(CCO)Cc1cccnc1 Amb9426484 [0,0,1,0,0,0|1,0,0]=2 894 B12R1.32 CN(CCO)Cc1ccncc1 Amb9256486 [0,0,1,0,0,0|3,0,0]=4 895 B12R1.32 CN(CCO)Cc1cnccn1 Amb18805619 [0,0,1,0,0,0|2,0,0]=3 896 B12R1.32 CN(CCS)Cc1ccccc1 Amb13881720 [0,0,1,0,0,0|2,0,0]=3 897 B12R1.32 CNCC(C)Cc1ccccc1 Amb19023878 [0,0,1,0,0,0|3,0,0]=4 898 B12R1.32 CNCC(O)Cc1cccnc1 Amb17232605 [0,0,1,0,0,0|3,0,0]=4 899 B12R1.32 CNC\C(C)=C\c1cccnc1 Amb28042037 [0,0,1,0,0,0|2,0,1]=4 900 B12R1.32 COCC(C)Nc1cccnc1 Amb19024143 [0,0,1,0,0,0|3,0,0]=4 901 B12R1.32 C\C(=C\c1cccnc1)CCN Amb25179223 [0,0,1,0,0,0|2,0,1]=4 902 B12R1.32 NCCC(O)Cc1cccnc1 Amb18827678 [0,0,1,0,0,0|3,0,0]=4 903 B12R1.34 CC(CBr)C(C)c1ccccc1 Amb33081859 [0,0,1,0,0,0|3,0,0]=4 904 B12R1.34 CC(CCl)C(C)c1ccccc1 Amb27592178 [0,0,1,0,0,0|3,0,0]=4 905 B12R1.34 CC(CN)C(C)c1ccccc1 Amb18829124 [0,0,1,0,0,0|3,0,0]=4 906 B12R1.34 CC(CN)C(C)c1cccnc1 Amb18828712 [0,0,1,0,0,0|2,0,0]=3 907 B12R1.34 CC(CN)C(C)c1cncnc1 Amb27646218 [0,0,1,0,0,0|3,0,0]=4 908 B12R1.34 CC(CN)C(F)c1cccnc1 Amb28241615 [0,0,1,0,0,0|3,0,0]=4 909 B12R1.34 CC(CN)C(O)c1cccnc1 Amb25762523 [0,0,1,0,0,0|3,0,0]=4 910 B12R1.34 CC(CN)N(C)c1cccnc1 Amb27215485 [0,0,1,0,0,0|3,0,0]=4 911 B12R1.34 CC(CO)C(C)c1ccccc1 Amb26375616 [0,0,1,0,0,0|3,0,0]=4 912 B12R1.34 CC(CO)C(C)c1cccnc1 Amb33745857 [0,0,1,0,0,0|2,0,0]=3 913 B12R1.34 CC(CO)[C@H](C)c1ccccc1 Amb28207416 [0,0,1,0,0,0|3,0,0]=4 914 B12R1.34 CC(c1ccccc1)N(C)C#N Amb28190109 [0,0,1,0,0,0|2,0,1]=4 915 B12R1.34 CC(c1ccccc1)[C@@H](C)CN Amb33738459 [0,0,1,0,0,0|3,0,0]=4 916 B12R1.34 CC(c1ccccc1)[C@@H](C)CO Amb33746406 [0,0,1,0,0,0|3,0,0]=4 917 B12R1.34 CC(c1ccccc1)[C@H](C)CN Amb33746913 [0,0,1,0,0,0|3,0,0]=4 918 B12R1.34 CC(c1ccccc1)[C@H](C)CO Amb33727265 [0,0,1,0,0,0|3,0,0]=4 919 B12R1.34 CC(c1cccnc1)[C@@H](C)CN Amb33744945 [0,0,1,0,0,0|2,0,0]=3 920 B12R1.34 CC(c1cccnc1)[C@@H](C)CO Amb33736432 [0,0,1,0,0,0|2,0,0]=3 921 B12R1.34 CC(c1cccnc1)[C@H](C)CN Amb33730038 [0,0,1,0,0,0|2,0,0]=3 922 B12R1.34 CC(c1cccnc1)[C@H](C)CO Amb33743120 [0,0,1,0,0,0|2,0,0]=3 923 B12R1.34 CCC(=O)C(C)c1ccccc1 Amb3940841 [0,0,1,0,0,0|3,0,0]=4 924 B12R1.34 CCC(=O)C(C)c1cccnc1 Amb27175914 [0,0,1,0,0,0|2,0,0]=3 925 B12R1.34 CCC(=O)C(Cl)c1cccnc1 Amb17477743 [0,0,1,0,0,0|3,0,0]=4 926 B12R1.34 CCC(C)C(Cl)c1cncnc1 Amb27589212 [0,0,1,0,0,0|3,0,0]=4 927 B12R1.34 CCC(C)C(N)c1ccccc1 Amb30628584 [0,0,1,0,0,0|3,0,0]=4 928 B12R1.34 CCC(C)C(N)c1cccnc1 Amb27804504 [0,0,1,0,0,0|2,0,0]=3 929 B12R1.34 CCC(C)[C@H](N)c1ccccc1 Amb27430422 [0,0,1,0,0,0|3,0,0]=4 930 B12R1.34 CCC(N)C(C)c1ccccc1 Amb18829127 [0,0,1,0,0,0|3,0,0]=4 931 B12R1.34 CCC(N)C(C)c1ccccc1 Amb20623710 [0,0,1,0,0,0|3,0,0]=4 932 B12R1.34 CCC(N)C(O)c1cccnc1 Amb9429025 [0,0,1,0,0,0|3,0,0]=4 933 B12R1.34 CCC(O)[C@H](C)c1ccccc1 Amb27981671 [0,0,1,0,0,0|3,0,0]=4 934 B12R1.34 CCN(C)C(=N)c1ccccc1 Amb28253999 [0,0,1,0,0,0|2,0,1]=4 935 B12R1.34 CCN(C)C(=O)c1cccnc1 Amb27604273 [0,0,1,0,0,0|1,0,1]=3 936 B12R1.34 CCN(C)C(=O)c1cnccn1 Amb28065031 [0,0,1,0,0,0|2,0,1]=4 937 B12R1.34 CCS(=O)C(C)c1ccccc1 Amb28063578 [0,0,1,0,0,0|3,0,0]=4 938 B12R1.34 CC[C@@H](C)[C@H](O)c1ccccc1 Amb28321457 [0,0,1,0,0,0|3,0,0]=4 939 B12R1.34 CC[C@@H](N)C(C)c1ccccc1 Amb29867804 [0,0,1,0,0,0|3,0,0]=4 940 B12R1.34 CC[C@@H](N)C(O)c1cccnc1 Amb35602697 [0,0,1,0,0,0|3,0,0]=4 941 B12R1.34 CC[C@@H](N)[C@@H](O)c1cccnc1 Amb27626980 [0,0,1,0,0,0|3,0,0]=4 942 B12R1.34 CC[C@@H](O)C(C)c1ccccc1 Amb29852038 [0,0,1,0,0,0|3,0,0]=4 943 B12R1.34 CC[C@@H](O)[C@@H](C)c1ccccc1 Amb27766563 [0,0,1,0,0,0|3,0,0]=4 944 B12R1.34 CC[C@H](N)C(C)c1ccccc1 Amb29867785 [0,0,1,0,0,0|3,0,0]=4 945 B12R1.34 CC[C@H](N)C(O)c1cccnc1 Amb35601299 [0,0,1,0,0,0|3,0,0]=4 946 B12R1.34 CC[C@H](N)[C@@H](N)c1cccnc1 Amb27489089 [0,0,1,0,0,0|3,0,0]=4 947 B12R1.34 CC[C@H](N)[C@@H](O)c1cccnc1 Amb27776956 [0,0,1,0,0,0|3,0,0]=4 948 B12R1.34 CC[C@H](O)C(C)c1ccccc1 Amb29852039 [0,0,1,0,0,0|3,0,0]=4 949 B12R1.34 CNC(C)C(C)c1ccccc1 Amb18645936 [0,0,1,0,0,0|3,0,0]=4 950 B12R1.34 CNC(C)C(C)c1ccccc1 Amb33276248 [0,0,1,0,0,0|3,0,0]=4 951 B12R1.34 CN[C@@H](C)C(O)c1cccnc1 Amb35662448 [0,0,1,0,0,0|3,0,0]=4 952 B12R1.34 COC(=O)C(C)c1cccnc1 Amb18798400 [0,0,1,0,0,0|3,0,0]=4 953 B12R1.34 CON(C)C(=O)c1cccnc1 Amb20673749 [0,0,1,0,0,0|2,0,1]=4 954 B12R1.34 C[C@@H](CO)[C@@H](C)c1ccccc1 Amb27178556 [0,0,1,0,0,0|3,0,0]=4 955 B12R1.478 C#CC(c1ccccc1)N(C)C Amb27944918 [0,0,1,0,0,0|1,0,2]=4 956 B12R1.478 CC(C)C(C#N)c1cccnc1 Amb18645393 [0,0,1,0,0,0|2,0,1]=4 957 B12R1.478 CC(C)C(C=O)c1cccnc1 Amb27669974 [0,0,1,0,0,0|2,0,1]=4 958 B12R1.478 CC(C)C(CBr)c1ccccc1 Amb17247625 [0,0,1,0,0,0|3,0,0]=4 959 B12R1.478 CC(C)C(CCl)c1ccccc1 Amb17233967 [0,0,1,0,0,0|3,0,0]=4 960 B12R1.478 CC(C)C(CN)c1ccccc1 Amb7969584 [0,0,1,0,0,0|3,0,0]=4 961 B12R1.478 CC(C)C(CN)c1cccnc1 Amb18828697 [0,0,1,0,0,0|2,0,0]=3 962 B12R1.478 CC(C)C(CO)c1ccccc1 Amb4035405 [0,0,1,0,0,0|3,0,0]=4 963 B12R1.478 CC(C)C(CS)c1ccccc1 Amb32788900 [0,0,1,0,0,0|3,0,0]=4 964 B12R1.478 CC(C)C(NN)c1cccnc1 Amb27474026 [0,0,1,0,0,0|3,0,0]=4 965 B12R1.478 CC(C)[C@@H](CO)c1ccccc1 Amb27977867 [0,0,1,0,0,0|3,0,0]=4 966 B12R1.478 CC(C)[C@H](CN)c1ccccc1 Amb27607076 [0,0,1,0,0,0|3,0,0]=4 967 B12R1.478 CCC(C(=O)O)c1cccnc1 Amb18999434 [0,0,1,0,0,0|3,0,0]=4 968 B12R1.478 CCC(c1ccccc1)C(C)Br Amb28344759 [0,0,1,0,0,0|3,0,0]=4 969 B12R1.478 CCC(c1ccccc1)C(C)Cl Amb27650668 [0,0,1,0,0,0|3,0,0]=4 970 B12R1.478 CCC(c1ccccc1)C(C)N Amb25667182 [0,0,1,0,0,0|3,0,0]=4 971 B12R1.478 CCC(c1ccccc1)N(C)C Amb26647635 [0,0,1,0,0,0|1,0,0]=2 972 B12R1.478 CCC(c1ccccc1)S(C)=O Amb28138232 [0,0,1,0,0,0|3,0,0]=4 973 B12R1.478 CCC(c1ccccc1)[C@@H](C)N Amb33731280 [0,0,1,0,0,0|3,0,0]=4 974 B12R1.478 CCC(c1ccccc1)[C@H](C)N Amb33729230 [0,0,1,0,0,0|3,0,0]=4 975 B12R1.478 CCN(c1ccccc1)C(C)C Amb22351908 [0,0,1,0,0,0|3,0,0]=4 976 B12R1.478 CC[C@H](C(C)=O)c1ccccc1 Amb28122453 [0,0,1,0,0,0|3,0,0]=4 977 B12R1.478 CN(C)C(C#N)c1ccccc1 Amb1397749 [0,0,1,0,0,0|2,0,1]=4 978 B12R1.478 CN(C)C(C#N)c1ccccc1 Amb17621589 [0,0,1,0,0,0|2,0,1]=4 979 B12R1.478 CN(C)C(C#N)c1cccnc1 Amb5756454 [0,0,1,0,0,0|1,0,1]=3 980 B12R1.478 CN(C)C(CCl)c1ccccc1 Amb17234042 [0,0,1,0,0,0|2,0,0]=3 981 B12R1.478 CN(C)C(CCl)c1cccnc1 Amb17234171 [0,0,1,0,0,0|1,0,0]=2 982 B12R1.478 CN(C)C(CN)c1ccccc1 Amb2589501 [0,0,1,0,0,0|2,0,0]=3 983 B12R1.478 CN(C)C(CN)c1ccccn1 Amb9713793 [0,0,1,0,0,0|3,0,0]=4 984 B12R1.478 CN(C)C(CN)c1cccnc1 Amb34912616 [0,0,1,0,0,0|1,0,0]=2 985 B12R1.478 CN(C)C(CN)c1cccnc1 Amb9706149 [0,0,1,0,0,0|1,0,0]=2 986 B12R1.478 CN(C)C(CN)c1ccncc1 Amb10808611 [0,0,1,0,0,0|3,0,0]=4 987 B12R1.478 CN(C)C(CO)c1ccccc1 Amb17232542 [0,0,1,0,0,0|2,0,0]=3 988 B12R1.478 CN(C)C(CO)c1cccnc1 Amb17232604 [0,0,1,0,0,0|1,0,0]=2 989 B12R1.478 CN(C)[C@H](CN)c1ccccc1 Amb27248292 [0,0,1,0,0,0|2,0,0]=3 990 B12R1.478 CNC(c1ccccc1)C(C)C Amb9247729 [0,0,1,0,0,0|3,0,0]=4 991 B12R1.478 CNC(c1cccnc1)C(C)C Amb18968324 [0,0,1,0,0,0|2,0,0]=3 992 B12R1.478 CNC(c1ccnnc1)C(C)C Amb27840733 [0,0,1,0,0,0|3,0,0]=4 993 B14R3.44 c1ccc(C2NCC3CC32)cc1 Amb35826261 [0,0,0,1,0,0|3,0,0]=4 994 B14R3.44 c1ccc(C2NCC3CC32)cc1 Amb7808795 [0,0,0,1,0,0|3,0,0]=4 995 B14R3.44 c1ccc([C@H]2NC[C@H]3C[C@H]32)cc1 Amb28245851 [0,0,0,1,0,0|3,0,0]=4 996 B14R3.49 c1cc2c(cn1)C3NCCC3C2 Amb27667103 [0,0,0,1,0,0|2,0,0]=3 997 B14R3.49 c1cc2c(cn1)[C@@H]3NCC[C@@H]3C2 Amb28291524 [0,0,0,1,0,0|2,0,0]=3 998 B14R3.49 c1cc2nc3n(c2cn1)CCC3 Amb27165095 [0,0,0,1,0,0|3,0,0]=4 999 B14R3.49 c1ccc2c(c1)CC3CCNC23 Amb27770096 [0,0,0,1,0,0|3,0,0]=4 1000 B14R3.49 c1ccc2c(c1)CN3CCCN23 Amb28198664 [0,0,0,1,0,0|2,0,0]=3 1001 B14R3.49 c1ccc2c(c1)NC3CCCC23 Amb22802457 [0,0,0,1,0,0|3,0,0]=4 1002 B14R3.49 c1ccc2c(c1)N[C@@H]3CCC[C@H]23 Amb27647586 [0,0,0,1,0,0|3,0,0]=4 1003 B14R3.49 c1ccc2c(c1)N[C@H]3CCC[C@@H]23 Amb27227996 [0,0,0,1,0,0|3,0,0]=4 1004 B14R3.266 OC12CCCC1c3ccccc32 Amb17778684 [0,0,0,1,0,0|3,0,0]=4 1005 B14R3.406 NC1C2CCC1c3ccccc32 Amb27178279 [0,0,0,1,0,0|3,0,0]=4 1006 B14R3.406 NC1C2CC[C@H]1c3ccccc32 Amb27399752 [0,0,0,1,0,0|3,0,0]=4 1007 B14R3.406 N[C@@H]1[C@H]2CC[C@@H]1c3ccccc32 Amb28054809 [0,0,0,1,0,0|3,0,0]=4 1008 B14R3.406 O=C1C2CCC1c3ccccc32 Amb22357134 [0,0,0,1,0,0|3,0,0]=4 1009 B14R3.608 CC1=CC2CC1c3ccccc32 Amb22356900 [0,0,0,1,0,0|2,0,1]=4 1010 B14R3.608 CN1C[C@@H]2C[C@H]1c3ccccc32 Amb28137815 [0,0,0,1,0,0|1,0,0]=2 1011 B14R3.608 ClC1CC2CC1c3cnccc32 Amb27831543 [0,0,0,1,0,0|2,0,0]=3 1012 B14R3.608 NC1CC2CC1c3ccccc32 Amb27758681 [0,0,0,1,0,0|3,0,0]=4 1013 B14R3.608 N[C@H]1C[C@@H]2C[C@H]1c3ccccc32 Amb27845477 [0,0,0,1,0,0|3,0,0]=4 1014 B14R3.608 N[C@H]1C[C@H]2C[C@@H]1c3ccccc32 Amb27194680 [0,0,0,1,0,0|3,0,0]=4 1015 B14R3.608 O=C1CC2CC1c3ccccc32 Amb22356924 [0,0,0,1,0,0|3,0,0]=4 1016 B14R3.608 OC1C[C@@H]2C[C@H]1c3cnccc32 Amb27969137 [0,0,0,1,0,0|2,0,0]=3 1017 B14R3.608 O[C@@H]1C[C@H]2C[C@@H]1c3ccccc32 Amb28130386 [0,0,0,1,0,0|3,0,0]=4 1018 B14R3.608 O[C@H]1C[C@@H]2C[C@H]1c3ccccc32 Amb28422453 [0,0,0,1,0,0|3,0,0]=4 1019 B14R3.608 O[C@H]1C[C@@H]2C[C@H]1c3cnccc32 Amb27631931 [0,0,0,1,0,0|2,0,0]=3 1020 B14R3.608 O[C@H]1C[C@H]2C[C@H]1c3ccccc32 Amb27980611 [0,0,0,1,0,0|3,0,0]=4 1021 B14R3.2936 c1ccc(C23CCCC2O3)cc1 Amb32659651 [0,0,0,1,0,0|3,0,0]=4 1022 B14R3.2936 c1ccc(C23CCCN2C3)cc1 Amb24117260 [0,0,0,1,0,0|1,0,0]=2 1023 B14R3.2936 c1ccc(C23CNCC2C3)cc1 Amb24112956 [0,0,0,1,0,0|3,0,0]=4 1024 B14R3.2936 c1ccc(C23CNCC2C3)cc1 Amb30584920 [0,0,0,1,0,0|3,0,0]=4 1025 B14R3.2936 c1ccc([C@]23CNC[C@H]2C3)cc1 Amb25288106 [0,0,0,1,0,0|3,0,0]=4 1026 B14R3.2936 c1ccc([C@]23CNC[C@H]2C3)cc1 Amb33484386 [0,0,0,1,0,0|3,0,0]=4 1027 B12R2.10 BrC1CCCC1c2ccco2 Amb28063202 [0,0,0,0,1,0|3,0,0]=4 1028 B12R2.10 BrC1CCCC1c2ccns2 Amb28058668 [0,0,0,0,1,0|3,0,0]=4 1029 B12R2.10 BrC1CCCC1c2ccsn2 Amb27175155 [0,0,0,0,1,0|3,0,0]=4 1030 B12R2.10 BrC1CCCC1c2cncs2 Amb35632691 [0,0,0,0,1,0|3,0,0]=4 1031 B12R2.10 BrC1CCCC1c2cnsc2 Amb29862958 [0,0,0,0,1,0|3,0,0]=4 1032 B12R2.10 CC1CCCC1c2cnco2 Amb35652615 [0,0,0,0,1,0|2,0,0]=3 1033 B12R2.10 CC1CCNC1c2cncs2 Amb27831553 [0,0,0,0,1,0|3,0,0]=4 1034 B12R2.10 CC1CCOC1c2cnco2 Amb35655869 [0,0,0,0,1,0|3,0,0]=4 1035 B12R2.10 CC1CNCC1c2ccco2 Amb27850650 [0,0,0,0,1,0|3,0,0]=4 1036 B12R2.10 CC1COCC1n2cccc2 Amb35636584 [0,0,0,0,1,0|3,0,0]=4 1037 B12R2.10 CC1OCCC1c2cnco2 Amb35655896 [0,0,0,0,1,0|3,0,0]=4 1038 B12R2.10 CC1OCCC1n2cccc2 Amb27668190 [0,0,0,0,1,0|3,0,0]=4 1039 B12R2.10 CN1CCCC1C2=NCCN2 Amb35664438 [0,0,0,0,1,0|1,0,2]=4 1040 B12R2.10 CN1CCCC1c2ccoc2 Amb23589065 [0,0,0,0,1,0|1,0,0]=2 1041 B12R2.10 CN1CCC[C@H]1c2ccco2 Amb27977855 [0,0,0,0,1,0|1,0,0]=2 1042 B12R2.10 CN1CCC[C@H]1c2ccno2 Amb27250693 [0,0,0,0,1,0|1,0,0]=2 1043 B12R2.10 CN1CCOC1c2ccco2 Amb17334341 [0,0,0,0,1,0|2,0,0]=3 1044 B12R2.10 CN1CCOC1c2cccs2 Amb17334773 [0,0,0,0,1,0|2,0,0]=3 1045 B12R2.10 C[C@@H]1CCN[C@H]1c2ccco2 Amb18201646 [0,0,0,0,1,0|3,0,0]=4 1046 B12R2.10 C[C@@H]1CCN[C@H]1c2cccs2 Amb18826825 [0,0,0,0,1,0|3,0,0]=4 1047 B12R2.10 C[C@@H]1CCN[C@H]1c2cncs2 Amb18199184 [0,0,0,0,1,0|3,0,0]=4 1048 B12R2.10 C[C@H]1CCN[C@@H]1c2ccco2 Amb27420252 [0,0,0,0,1,0|3,0,0]=4 1049 B12R2.10 C[C@H]1CCN[C@@H]1c2cccs2 Amb28060010 [0,0,0,0,1,0|3,0,0]=4 1050 B12R2.10 C[C@H]1CCN[C@@H]1c2cncs2 Amb27230836 [0,0,0,0,1,0|3,0,0]=4 1051 B12R2.10 ClC1CCCC1c2cccs2 Amb19070691 [0,0,0,0,1,0|3,0,0]=4 1052 B12R2.10 ClC1CCCC1c2ccns2 Amb28068212 [0,0,0,0,1,0|3,0,0]=4 1053 B12R2.10 ClC1CCCC1c2ccoc2 Amb28285336 [0,0,0,0,1,0|3,0,0]=4 1054 B12R2.10 ClC1CCCC1c2ccsc2 Amb27395403 [0,0,0,0,1,0|3,0,0]=4 1055 B12R2.10 ClC1CCCC1c2ccsn2 Amb27207922 [0,0,0,0,1,0|3,0,0]=4 1056 B12R2.10 ClC1CCCC1c2cncs2 Amb35632690 [0,0,0,0,1,0|3,0,0]=4 1057 B12R2.10 ClC1CCCC1c2cnsc2 Amb29862957 [0,0,0,0,1,0|3,0,0]=4 1058 B12R2.10 NC1CCCC1c2ccco2 Amb28138797 [0,0,0,0,1,0|3,0,0]=4 1059 B12R2.10 NC1CCCC1c2cccs2 Amb18947764 [0,0,0,0,1,0|3,0,0]=4 1060 B12R2.10 NC1CCCC1c2cncs2 Amb35608572 [0,0,0,0,1,0|3,0,0]=4 1061 B12R2.10 NC1CCCC1c2cnsc2 Amb30020080 [0,0,0,0,1,0|3,0,0]=4 1062 B12R2.10 NC1CCCC1c2cocn2 Amb18201341 [0,0,0,0,1,0|3,0,0]=4 1063 B12R2.10 NC1CCCC1n2ccnc2 Amb1128950 [0,0,0,0,1,0|3,0,0]=4 1064 B12R2.10 NN1CCCC1c2ccco2 Amb24423406 [0,0,0,0,1,0|2,0,0]=3 1065 B12R2.10 NN1CCCC1c2cccs2 Amb26373096 [0,0,0,0,1,0|2,0,0]=3 1066 B12R2.10 N[C@@H]1CCC[C@@H]1n2cccn2 Amb33339275 [0,0,0,0,1,0|3,0,0]=4 1067 B12R2.10 N[C@@H]1CCC[C@@H]1n2cccn2 Amb33456284 [0,0,0,0,1,0|3,0,0]=4 1068 B12R2.10 N[C@@H]1CCC[C@@H]1n2ccnc2 Amb27814355 [0,0,0,0,1,0|3,0,0]=4 1069 B12R2.10 N[C@@H]1CCC[C@H]1n2cccn2 Amb28990962 [0,0,0,0,1,0|3,0,0]=4 1070 B12R2.10 N[C@@H]1CCC[C@H]1n2cccn2 Amb34931130 [0,0,0,0,1,0|3,0,0]=4 1071 B12R2.10 N[C@H]1CCC[C@@H]1n2ccnc2 Amb27200276 [0,0,0,0,1,0|3,0,0]=4 1072 B12R2.10 O=C1CCCC1c2ccsc2 Amb27971434 [0,0,0,0,1,0|3,0,0]=4 1073 B12R2.10 O=C1CCCC1c2cncs2 Amb30027106 [0,0,0,0,1,0|3,0,0]=4 1074 B12R2.10 O=C1CCCC1c2cnsc2 Amb35716918 [0,0,0,0,1,0|3,0,0]=4 1075 B12R2.10 OC1CCCC1c2ccco2 Amb24718657 [0,0,0,0,1,0|3,0,0]=4 1076 B12R2.10 OC1CCCC1c2cccs2 Amb18182687 [0,0,0,0,1,0|3,0,0]=4 1077 B12R2.10 OC1CCCC1c2ccns2 Amb26630649 [0,0,0,0,1,0|3,0,0]=4 1078 B12R2.10 OC1CCCC1c2ccoc2 Amb25262981 [0,0,0,0,1,0|3,0,0]=4 1079 B12R2.10 OC1CCCC1c2ccsc2 Amb25693528 [0,0,0,0,1,0|3,0,0]=4 1080 B12R2.10 OC1CCCC1c2ccsn2 Amb25981443 [0,0,0,0,1,0|3,0,0]=4 1081 B12R2.10 OC1CCCC1c2cncs2 Amb32945379 [0,0,0,0,1,0|3,0,0]=4 1082 B12R2.10 OC1CCCC1c2cnsc2 Amb29868348 [0,0,0,0,1,0|3,0,0]=4 1083 B12R2.10 OC1CCCC1c2cscn2 Amb27188268 [0,0,0,0,1,0|3,0,0]=4 1084 B12R2.10 OC1CCCC1c2nccs2 Amb33213320 [0,0,0,0,1,0|3,0,0]=4 1085 B12R2.10 OC1CCCC1n2cccn2 Amb13952665 [0,0,0,0,1,0|3,0,0]=4 1086 B12R2.10 OC1CCCC1n2ccnc2 Amb18182783 [0,0,0,0,1,0|3,0,0]=4 1087 B12R2.10 O[C@@H]1CCC[C@@H]1n2ccnc2 Amb27849010 [0,0,0,0,1,0|3,0,0]=4 1088 B12R2.10 O[C@@H]1CCC[C@H]1c2ccco2 Amb24576983 [0,0,0,0,1,0|3,0,0]=4 1089 B12R2.10 O[C@@H]1CCC[C@H]1c2cccs2 Amb28075163 [0,0,0,0,1,0|3,0,0]=4 1090 B12R2.10 O[C@@H]1CCC[C@H]1c2ccns2 Amb33212813 [0,0,0,0,1,0|3,0,0]=4 1091 B12R2.10 O[C@@H]1CCC[C@H]1c2ccoc2 Amb32950229 [0,0,0,0,1,0|3,0,0]=4 1092 B12R2.10 O[C@@H]1CCC[C@H]1c2ccsc2 Amb32950993 [0,0,0,0,1,0|3,0,0]=4 1093 B12R2.10 O[C@@H]1CCC[C@H]1c2ccsn2 Amb32950017 [0,0,0,0,1,0|3,0,0]=4 1094 B12R2.10 O[C@@H]1CCC[C@H]1c2cncs2 Amb32945975 [0,0,0,0,1,0|3,0,0]=4 1095 B12R2.10 O[C@@H]1CCC[C@H]1c2cnsc2 Amb32945025 [0,0,0,0,1,0|3,0,0]=4 1096 B12R2.10 O[C@@H]1CCC[C@H]1c2cscn2 Amb32951062 [0,0,0,0,1,0|3,0,0]=4 1097 B12R2.10 O[C@@H]1CCC[C@H]1c2nccs2 Amb32945114 [0,0,0,0,1,0|3,0,0]=4 1098 B12R2.10 O[C@@H]1CCC[C@H]1n2cccn2 Amb19314474 [0,0,0,0,1,0|3,0,0]=4 1099 B12R2.10 O[C@H]1CCC[C@@H]1c2ccco2 Amb28130184 [0,0,0,0,1,0|3,0,0]=4 1100 B12R2.10 O[C@H]1CCC[C@@H]1n2cccn2 Amb27436821 [0,0,0,0,1,0|3,0,0]=4 1101 B12R2.10 O[C@H]1CCC[C@@H]1n2ccnc2 Amb28369148 [0,0,0,0,1,0|3,0,0]=4 1102 B12R2.10 O[C@H]1CCC[C@H]1c2ccco2 Amb27650469 [0,0,0,0,1,0|3,0,0]=4 1103 B12R2.23 CC1CCN1c2ccccc2 Amb28312828 [0,0,0,0,1,0|3,0,0]=4 1104 B12R2.23 CC1CCN1c2cccnn2 Amb27763819 [0,0,0,0,1,0|3,0,0]=4 1105 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [0,0,0,0,1,0|3,0,0]=4 1106 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [0,0,0,0,1,0|3,0,0]=4 1107 B12R2.23 CN1CCC1c2cccnc2 Amb27792386 [0,0,0,0,1,0|0,0,0]=1 1108 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [0,0,0,0,1,0|3,0,0]=4 1109 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [0,0,0,0,1,0|3,0,0]=4 1110 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb28594309 [0,0,0,0,1,0|3,0,0]=4 1111 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb32665507 [0,0,0,0,1,0|3,0,0]=4 1112 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [0,0,0,0,1,0|3,0,0]=4 1113 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb33447016 [0,0,0,0,1,0|3,0,0]=4 1114 B12R2.23 N[C@H]1CC[C@H]1c2ccccc2 Amb27789894 [0,0,0,0,1,0|3,0,0]=4 1115 B12R2.23 O=C1CCC1c2ccccc2 Amb19515483 [0,0,0,0,1,0|3,0,0]=4 1116 B12R2.23 O=C1CC[C@H]1c2ccccc2 Amb28253765 [0,0,0,0,1,0|3,0,0]=4 1117 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [0,0,0,0,1,0|3,0,0]=4 1118 B12R2.23 OC1CCC1c2cccnc2 Amb25997850 [0,0,0,0,1,0|2,0,0]=3 1119 B12R2.23 OC1CCC1c2cnccn2 Amb32944849 [0,0,0,0,1,0|3,0,0]=4 1120 B12R2.23 OC1CCC1c2cncnc2 Amb32951048 [0,0,0,0,1,0|3,0,0]=4 1121 B12R2.23 OC1CNC1c2cccnc2 Amb25145873 [0,0,0,0,1,0|3,0,0]=4 1122 B12R2.23 O[C@H]1CC[C@H]1c2ccccc2 Amb27816201 [0,0,0,0,1,0|3,0,0]=4 1123 B14R2.21 BrC1CCCC(c2cnccn2)C1 Amb27801876 [0,0,0,0,0,1|3,0,0]=4 1124 B14R2.21 BrC1CCCC(c2cncnc2)C1 Amb27587797 [0,0,0,0,0,1|3,0,0]=4 1125 B14R2.21 BrC1CCOC(c2cccnc2)C1 Amb26585615 [0,0,0,0,0,1|3,0,0]=4 1126 B14R2.21 CC1CC(c2ccccc2)CCN1 Amb25765759 [0,0,0,0,0,1|3,0,0]=4 1127 B14R2.21 CC1CC(c2cncnc2)CCN1 Amb33275501 [0,0,0,0,0,1|3,0,0]=4 1128 B14R2.21 CC1CCCC(c2ccccc2)N1 Amb5717718 [0,0,0,0,0,1|2,0,0]=3 1129 B14R2.21 CC1CCCC(c2cncnc2)N1 Amb33275489 [0,0,0,0,0,1|2,0,0]=3 1130 B14R2.21 CC1CCCN(c2ccccc2)N1 Amb13949053 [0,0,0,0,0,1|3,0,0]=4 1131 B14R2.21 CC1CCNC(c2ccccc2)C1 Amb24066154 [0,0,0,0,0,1|3,0,0]=4 1132 B14R2.21 CC1CCNC(c2ccccc2)S1 Amb27757530 [0,0,0,0,0,1|3,0,0]=4 1133 B14R2.21 CC1CCNC(c2cccnc2)C1 Amb27882256 [0,0,0,0,0,1|2,0,0]=3 1134 B14R2.21 CC1CCNC(c2cccnc2)S1 Amb27771788 [0,0,0,0,0,1|2,0,0]=3 1135 B14R2.21 CC1CCNC(c2cnccn2)C1 Amb27413273 [0,0,0,0,0,1|3,0,0]=4 1136 B14R2.21 CC1CCNC(c2cnccn2)S1 Amb35601006 [0,0,0,0,0,1|3,0,0]=4 1137 B14R2.21 CC1CCNC(c2cncnc2)C1 Amb27609546 [0,0,0,0,0,1|3,0,0]=4 1138 B14R2.21 CC1CCOC(c2ccccc2)O1 Amb9787478 [0,0,0,0,0,1|3,0,0]=4 1139 B14R2.21 CC1CCSC(c2cnccn2)N1 Amb35600969 [0,0,0,0,0,1|3,0,0]=4 1140 B14R2.21 CC1CNCC(c2ccccc2)C1 Amb33531683 [0,0,0,0,0,1|3,0,0]=4 1141 B14R2.21 CC1CNCC(c2ccccc2)O1 Amb8868478 [0,0,0,0,0,1|3,0,0]=4 1142 B14R2.21 CC1CNCC(c2cncnc2)C1 Amb33275502 [0,0,0,0,0,1|3,0,0]=4 1143 B14R2.21 CC1COCC(c2ccccc2)N1 Amb18065682 [0,0,0,0,0,1|3,0,0]=4 1144 B14R2.21 CC1COCC(c2ccccc2)N1 Amb32701606 [0,0,0,0,0,1|3,0,0]=4 1145 B14R2.21 CC1CSCC(c2ccccc2)N1 Amb27606289 [0,0,0,0,0,1|3,0,0]=4 1146 B14R2.21 CC1NC(c2ccccc2)CCO1 Amb33193177 [0,0,0,0,0,1|3,0,0]=4 1147 B14R2.21 CN1CCCC(c2ccccc2)C1 Amb27467534 [0,0,0,0,0,1|1,0,0]=2 1148 B14R2.21 CN1CCCC(c2cccnc2)O1 Amb28067694 [0,0,0,0,0,1|0,0,0]=1 1149 B14R2.21 CN1CCC[C@@H](c2cccnc2)O1 Amb17617753 [0,0,0,0,0,1|0,0,0]=1 1150 B14R2.21 CN1CCNC(c2ccccc2)C1 Amb1672626 [0,0,0,0,0,1|2,0,0]=3 1151 B14R2.21 CN1CCNC(c2ccccc2)C1 Amb24064755 [0,0,0,0,0,1|2,0,0]=3 1152 B14R2.21 CN1CCNC(c2ccncc2)C1 Amb18195765 [0,0,0,0,0,1|3,0,0]=4 1153 B14R2.21 CN1CCNC(c2cncnc2)C1 Amb18195110 [0,0,0,0,0,1|2,0,0]=3 1154 B14R2.21 CN1CCN[C@@H](c2ccccc2)C1 Amb22032546 [0,0,0,0,0,1|2,0,0]=3 1155 B14R2.21 C[C@@H]1CCC[C@H](c2ccccc2)N1 Amb24710306 [0,0,0,0,0,1|2,0,0]=3 1156 B14R2.21 C[C@@H]1CNC[C@H](c2ccccc2)O1 Amb26585104 [0,0,0,0,0,1|3,0,0]=4 1157 B14R2.21 C[C@@H]1COC[C@H](c2ccccc2)N1 Amb32664704 [0,0,0,0,0,1|3,0,0]=4 1158 B14R2.21 C[C@@H]1COC[C@H](c2ccccc2)N1 Amb32664712 [0,0,0,0,0,1|3,0,0]=4 1159 B14R2.21 C[C@H]1CCCN(c2cnccn2)C1 Amb28183889 [0,0,0,0,0,1|3,0,0]=4 1160 B14R2.21 C[C@H]1CCC[C@@H](c2ccccc2)N1 Amb28052152 [0,0,0,0,0,1|2,0,0]=3 1161 B14R2.21 C[C@H]1CCO[C@@H](c2ccccc2)N1 Amb27213219 [0,0,0,0,0,1|3,0,0]=4 1162 B14R2.21 C[NH+]1CC[NH2+]C(c2ccccc2)C1 Amb33513135 [0,0,0,0,0,1|2,0,1]=4 1163 B14R2.21 ClC1CCCC(c2ccccc2)C1 Amb4035352 [0,0,0,0,0,1|3,0,0]=4 1164 B14R2.21 ClC1CCCC(c2cnccn2)C1 Amb27954276 [0,0,0,0,0,1|3,0,0]=4 1165 B14R2.21 Cl[C@@H]1CCC[C@@H](c2ccccc2)C1 Amb28132362 [0,0,0,0,0,1|3,0,0]=4 1166 B14R2.21 NC1=NCCC(c2cccnc2)N1 Amb26503131 [0,0,0,0,0,1|3,0,0]=4 1167 B14R2.21 NC1C=C(c2cccnc2)CCC1 Amb28076608 [0,0,0,0,0,1|2,0,1]=4 1168 B14R2.21 NC1CCCC(c2ccccc2)C1 Amb24183813 [0,0,0,0,0,1|3,0,0]=4 1169 B14R2.21 NC1CCCC(c2ccccc2)C1 Amb33546016 [0,0,0,0,0,1|3,0,0]=4 1170 B14R2.21 NC1CCOC(c2cccnc2)C1 Amb27807879 [0,0,0,0,0,1|3,0,0]=4 1171 B14R2.21 NC1CCOC(c2cccnc2)C1 Amb32661532 [0,0,0,0,0,1|3,0,0]=4 1172 B14R2.21 NN1CCCC(c2ccccc2)C1 Amb25157115 [0,0,0,0,0,1|2,0,0]=3 1173 B14R2.21 NN1CCCC(c2ccccn2)C1 Amb27610341 [0,0,0,0,0,1|3,0,0]=4 1174 B14R2.21 NN1CCCC(c2cccnc2)C1 Amb25869283 [0,0,0,0,0,1|1,0,0]=2 1175 B14R2.21 NN1CCCC(c2ccncc2)C1 Amb27852834 [0,0,0,0,0,1|3,0,0]=4 1176 B14R2.21 NN1CCOC(c2ccccc2)C1 Amb18559533 [0,0,0,0,0,1|3,0,0]=4 1177 B14R2.21 NN1CCOC(c2cccnc2)C1 Amb18065841 [0,0,0,0,0,1|2,0,0]=3 1178 B14R2.21 N[C@@H]1CCO[C@@H](c2cccnc2)C1 Amb28060712 [0,0,0,0,0,1|3,0,0]=4 1179 B14R2.21 N[C@@H]1CCO[C@H](c2cccnc2)C1 Amb28195481 [0,0,0,0,0,1|3,0,0]=4 1180 B14R2.21 N[C@H]1CCCN(c2cccnc2)C1 Amb17134825 [0,0,0,0,0,1|3,0,0]=4 1181 B14R2.21 N[C@H]1CCO[C@H](c2cccnc2)C1 Amb26414921 [0,0,0,0,0,1|3,0,0]=4 1182 B14R2.21 O=C1C=C(c2cccnc2)CCC1 Amb27837073 [0,0,0,0,0,1|2,0,1]=4 1183 B14R2.21 O=C1CCCC(c2ccccc2)C1 Amb18065540 [0,0,0,0,0,1|3,0,0]=4 1184 B14R2.21 O=C1CCCC(c2ccccc2)N1 Amb2615419 [0,0,0,0,0,1|3,0,0]=4 1185 B14R2.21 O=C1CCCC(c2cccnc2)C1 Amb24553703 [0,0,0,0,0,1|2,0,0]=3 1186 B14R2.21 O=C1CCCC(c2cccnc2)N1 Amb2615471 [0,0,0,0,0,1|2,0,0]=3 1187 B14R2.21 O=C1CCC[C@@H](c2cccnc2)N1 Amb28046253 [0,0,0,0,0,1|2,0,0]=3 1188 B14R2.21 O=C1CCC[C@H](c2ccccc2)C1 Amb26881373 [0,0,0,0,0,1|3,0,0]=4 1189 B14R2.21 O=C1CCNC(c2cccnc2)C1 Amb17233193 [0,0,0,0,0,1|3,0,0]=4 1190 B14R2.21 O=C1CNCC(c2cccnc2)N1 Amb28317254 [0,0,0,0,0,1|3,0,0]=4 1191 B14R2.21 O=C1COCC(c2cccnc2)N1 Amb25125963 [0,0,0,0,0,1|3,0,0]=4 1192 B14R2.21 O=C1NCCC(c2cccnc2)N1 Amb26514169 [0,0,0,0,0,1|3,0,0]=4 1193 B14R2.21 OC1C=C(c2cccnc2)CCC1 Amb27252813 [0,0,0,0,0,1|2,0,1]=4 1194 B14R2.21 OC1CCCC(c2ccccc2)C1 Amb26612874 [0,0,0,0,0,1|3,0,0]=4 1195 B14R2.21 OC1CCCN(c2cccnc2)C1 Amb28294243 [0,0,0,0,0,1|3,0,0]=4 1196 B14R2.21 O[C@@H]1CCC[C@H](c2ccccc2)O1 Amb27420634 [0,0,0,0,0,1|3,0,0]=4 1197 B14R2.21 O[C@H]1CCC[C@H](c2ccccc2)O1 Amb28207159 [0,0,0,0,0,1|3,0,0]=4 1198 B14R2.24 BrC1CCCCC1c2cnccn2 Amb27264251 [0,0,0,0,0,1|3,0,0]=4 1199 B14R2.24 BrC1CCOCC1c2ccccc2 Amb27786504 [0,0,0,0,0,1|3,0,0]=4 1200 B14R2.24 CC1=C(c2ccccc2)CCNC1 Amb27415524 [0,0,0,0,0,1|2,0,1]=4 1201 B14R2.24 CC1=C(c2cncnc2)CNCC1 Amb28145595 [0,0,0,0,0,1|2,0,1]=4 1202 B14R2.24 CC1CCCCN1c2ccccc2 Amb27448804 [0,0,0,0,0,1|3,0,0]=4 1203 B14R2.24 CC1CCCNC1c2ccccc2 Amb6271697 [0,0,0,0,0,1|2,0,0]=3 1204 B14R2.24 CC1CCCNC1c2cncnc2 Amb33275483 [0,0,0,0,0,1|2,0,0]=3 1205 B14R2.24 CC1CCNCC1c2ccccc2 Amb26855487 [0,0,0,0,0,1|2,0,0]=3 1206 B14R2.24 CC1CCNCC1c2ccccc2 Amb30051609 [0,0,0,0,0,1|2,0,0]=3 1207 B14R2.24 CC1CCNCC1c2cncnc2 Amb33275491 [0,0,0,0,0,1|2,0,0]=3 1208 B14R2.24 CC1CNCCC1c2ccccc2 Amb19148751 [0,0,0,0,0,1|2,0,0]=3 1209 B14R2.24 CC1CNCCC1c2cccnc2 Amb27664339 [0,0,0,0,0,1|1,0,0]=2 1210 B14R2.24 CC1CNCCC1c2cnccn2 Amb27450864 [0,0,0,0,0,1|2,0,0]=3 1211 B14R2.24 CC1CNCCC1c2cncnc2 Amb27158290 [0,0,0,0,0,1|2,0,0]=3 1212 B14R2.24 CC1CNCCN1c2ccccc2 Amb4017565 [0,0,0,0,0,1|3,0,0]=4 1213 B14R2.24 CC1CNCCN1c2cnccn2 Amb18947951 [0,0,0,0,0,1|3,0,0]=4 1214 B14R2.24 CC1CNCCN1c2cnccn2 Amb31156132 [0,0,0,0,0,1|3,0,0]=4 1215 B14R2.24 CC1COCCN1c2cnccn2 Amb28319773 [0,0,0,0,0,1|3,0,0]=4 1216 B14R2.24 CC1COCOC1c2ccccc2 Amb28123545 [0,0,0,0,0,1|3,0,0]=4 1217 B14R2.24 CC1NCCCC1c2ccccc2 Amb18647927 [0,0,0,0,0,1|2,0,0]=3 1218 B14R2.24 CC1NCCCC1c2cncnc2 Amb33275486 [0,0,0,0,0,1|2,0,0]=3 1219 B14R2.24 CC1NCCOC1c2ccccc2 Amb6373978 [0,0,0,0,0,1|3,0,0]=4 1220 B14R2.24 CC1OCCNC1c2ccccc2 Amb18065713 [0,0,0,0,0,1|3,0,0]=4 1221 B14R2.24 CC1SCCNC1c2ccccc2 Amb19374434 [0,0,0,0,0,1|3,0,0]=4 1222 B14R2.24 CN1CCCCC1c2ccccc2 Amb28250142 [0,0,0,0,0,1|1,0,0]=2 1223 B14R2.24 CN1CCCCC1c2ccccn2 Amb26361640 [0,0,0,0,0,1|2,0,0]=3 1224 B14R2.24 CN1CCCCC1c2ccncc2 Amb23444587 [0,0,0,0,0,1|2,0,0]=3 1225 B14R2.24 CN1CCCC[C@@H]1c2ccccc2 Amb27660897 [0,0,0,0,0,1|1,0,0]=2 1226 B14R2.24 CN1CCCC[C@H]1c2cccnc2 Amb26344183 [0,0,0,0,0,1|0,0,0]=1 1227 B14R2.24 CN1CCNCC1c2ccccc2 Amb21954179 [0,0,0,0,0,1|1,0,0]=2 1228 B14R2.24 CN1CCNCC1c2ccccc2 Amb22586681 [0,0,0,0,0,1|1,0,0]=2 1229 B14R2.24 CN1CCNCC1c2ccccc2 Amb3941171 [0,0,0,0,0,1|1,0,0]=2 1230 B14R2.24 CN1CCNCC1c2ccccn2 Amb17062765 [0,0,0,0,0,1|2,0,0]=3 1231 B14R2.24 CN1CCNCC1c2cccnc2 Amb17062766 [0,0,0,0,0,1|0,0,0]=1 1232 B14R2.24 CN1CCNCC1c2ccncc2 Amb17062767 [0,0,0,0,0,1|2,0,0]=3 1233 B14R2.24 CN1CCNCC1c2ccncn2 Amb18195112 [0,0,0,0,0,1|3,0,0]=4 1234 B14R2.24 CN1CCNCC1c2cnccn2 Amb33360020 [0,0,0,0,0,1|1,0,0]=2 1235 B14R2.24 CN1CCNCC1c2cncnc2 Amb25893947 [0,0,0,0,0,1|1,0,0]=2 1236 B14R2.24 CN1CCNCC1c2ncccn2 Amb33270687 [0,0,0,0,0,1|3,0,0]=4 1237 B14R2.24 C[C@@H]1CCCN[C@@H]1c2ccccc2 Amb27252172 [0,0,0,0,0,1|2,0,0]=3 1238 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682441 [0,0,0,0,0,1|2,0,0]=3 1239 B14R2.24 C[C@@H]1CCNC[C@@H]1c2ccccc2 Amb32682462 [0,0,0,0,0,1|2,0,0]=3 1240 B14R2.24 C[C@@H]1NCCO[C@@H]1c2ccccc2 Amb27985899 [0,0,0,0,0,1|3,0,0]=4 1241 B14R2.24 C[C@@H]1NCCO[C@H]1c2ccccc2 Amb27858584 [0,0,0,0,0,1|3,0,0]=4 1242 B14R2.24 C[C@H]1CCCN[C@H]1c2ccccc2 Amb28325679 [0,0,0,0,0,1|2,0,0]=3 1243 B14R2.24 C[C@H]1NCCO[C@@H]1c2ccccc2 Amb27259326 [0,0,0,0,0,1|3,0,0]=4 1244 B14R2.24 ClC1CCCCC1c2cncnc2 Amb18325173 [0,0,0,0,0,1|3,0,0]=4 1245 B14R2.24 Cl[C@@H]1CCCO[C@H]1c2ccccc2 Amb27444641 [0,0,0,0,0,1|3,0,0]=4 1246 B14R2.24 FC1CNCCC1c2ccccc2 Amb32412691 [0,0,0,0,0,1|3,0,0]=4 1247 B14R2.24 FC1CNCCC1c2cccnc2 Amb28200123 [0,0,0,0,0,1|2,0,0]=3 1248 B14R2.24 NC1CCCCC1c2ccccc2 Amb33553374 [0,0,0,0,0,1|3,0,0]=4 1249 B14R2.24 NC1CCCCC1c2ccccc2 Amb9620845 [0,0,0,0,0,1|3,0,0]=4 1250 B14R2.24 NC1CCCCC1c2cccnc2 Amb18280246 [0,0,0,0,0,1|2,0,0]=3 1251 B14R2.24 NC1CCCCC1c2cnccn2 Amb28365816 [0,0,0,0,0,1|3,0,0]=4 1252 B14R2.24 NC1CCCNC1c2ccccc2 Amb17400581 [0,0,0,0,0,1|3,0,0]=4 1253 B14R2.24 NC1CCCNC1c2cccnc2 Amb17400624 [0,0,0,0,0,1|2,0,0]=3 1254 B14R2.24 NC1CCCNC1c2cncnc2 Amb33275497 [0,0,0,0,0,1|3,0,0]=4 1255 B14R2.24 NC1CCCN[C@@H]1c2ccccc2 Amb27482292 [0,0,0,0,0,1|3,0,0]=4 1256 B14R2.24 NC1CCNCC1c2ccccc2 Amb24398671 [0,0,0,0,0,1|3,0,0]=4 1257 B14R2.24 NC1CCNCC1c2cncnc2 Amb33275516 [0,0,0,0,0,1|3,0,0]=4 1258 B14R2.24 NC1CCOCC1c2ccccc2 Amb27199871 [0,0,0,0,0,1|3,0,0]=4 1259 B14R2.24 NC1CNCCC1c2ccccc2 Amb26448588 [0,0,0,0,0,1|3,0,0]=4 1260 B14R2.24 NC1CNCCC1c2cncnc2 Amb33275498 [0,0,0,0,0,1|3,0,0]=4 1261 B14R2.24 NN1CCCCC1c2ccccc2 Amb25755123 [0,0,0,0,0,1|2,0,0]=3 1262 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Amb22757825 [0,0,0,0,0,1|3,0,0]=4 1263 B14R2.24 N[C@@H]1CCCN[C@@H]1c2ccccc2 Amb27443686 [0,0,0,0,0,1|3,0,0]=4 1264 B14R2.24 N[C@H]1CCCC[C@@H]1c2ccccc2 Amb27659258 [0,0,0,0,0,1|3,0,0]=4 1265 B14R2.24 N[C@H]1CCCN[C@H]1c2ccccc2 Amb20242915 [0,0,0,0,0,1|3,0,0]=4 1266 B14R2.24 N[C@H]1CCCO[C@@H]1c2cccnc2 Amb27858524 [0,0,0,0,0,1|2,0,0]=3 1267 B14R2.24 O=C1CCCCC1c2ccccc2 Amb1229912 [0,0,0,0,0,1|3,0,0]=4 1268 B14R2.24 O=C1CCCCC1c2cccnc2 Amb18183934 [0,0,0,0,0,1|2,0,0]=3 1269 B14R2.24 O=C1CCCCC1c2cncnc2 Amb18184064 [0,0,0,0,0,1|3,0,0]=4 1270 B14R2.24 O=C1CCCC[C@@H]1c2ccccc2 Amb27878571 [0,0,0,0,0,1|3,0,0]=4 1271 B14R2.24 O=C1CCCC[C@H]1c2ccccc2 Amb8384672 [0,0,0,0,0,1|3,0,0]=4 1272 B14R2.24 O=C1CCCSC1c2ccccc2 Amb27209043 [0,0,0,0,0,1|3,0,0]=4 1273 B14R2.24 O=C1CCNCC1c2ccccc2 Amb18197173 [0,0,0,0,0,1|3,0,0]=4 1274 B14R2.24 O=C1CCNCC1c2cccnc2 Amb18196703 [0,0,0,0,0,1|2,0,0]=3 1275 B14R2.24 O=C1CCNCC1c2cnccn2 Amb18825027 [0,0,0,0,0,1|3,0,0]=4 1276 B14R2.24 O=C1CCNCC1c2cncnc2 Amb18196074 [0,0,0,0,0,1|3,0,0]=4 1277 B14R2.24 O=C1CCOCC1c2ccccc2 Amb19889902 [0,0,0,0,0,1|3,0,0]=4 1278 B14R2.24 O=C1CNCCN1c2cccnc2 Amb24080248 [0,0,0,0,0,1|3,0,0]=4 1279 B14R2.24 O=C1NCCCC1c2ccccc2 Amb17400500 [0,0,0,0,0,1|3,0,0]=4 1280 B14R2.24 O=C1NCCN[C@@H]1c2cccnc2 Amb27187158 [0,0,0,0,0,1|3,0,0]=4 1281 B14R2.24 O=C1OCCCC1c2ccccc2 Amb28146068 [0,0,0,0,0,1|3,0,0]=4 1282 B14R2.24 O=C1OCCNC1c2cccnc2 Amb32671283 [0,0,0,0,0,1|3,0,0]=4 1283 B14R2.24 O=C1OCCNC1c2cccnc2 Amb32671285 [0,0,0,0,0,1|3,0,0]=4 1284 B14R2.24 O=S1CCCSC1c2ccccc2 Amb3987783 [0,0,0,0,0,1|3,0,0]=4 1285 B14R2.24 O=S1CCNCC1c2ccccc2 Amb18864028 [0,0,0,0,0,1|3,0,0]=4 1286 B14R2.24 O=S1CCNC[C@H]1c2ccccc2 Amb27643356 [0,0,0,0,0,1|3,0,0]=4 1287 B14R2.24 OC1CCCCC1c2ccccc2 Amb4005667 [0,0,0,0,0,1|3,0,0]=4 1288 B14R2.24 OC1CCCCC1c2cccnc2 Amb18804651 [0,0,0,0,0,1|2,0,0]=3 1289 B14R2.24 OC1CCCCC1c2cnccn2 Amb27644235 [0,0,0,0,0,1|3,0,0]=4 1290 B14R2.24 OC1CCCCC1c2cncnc2 Amb18184364 [0,0,0,0,0,1|3,0,0]=4 1291 B14R2.24 OC1CCCNC1c2ccccc2 Amb27631387 [0,0,0,0,0,1|3,0,0]=4 1292 B14R2.24 OC1CCCNC1c2cccnn2 Amb18194530 [0,0,0,0,0,1|3,0,0]=4 1293 B14R2.24 OC1CCNCC1c2ccccc2 Amb26376883 [0,0,0,0,0,1|3,0,0]=4 1294 B14R2.24 OC1CNCCC1c2ccccc2 Amb18648066 [0,0,0,0,0,1|3,0,0]=4 1295 B14R2.24 OC1CNCCC1c2ccccc2 Amb34151968 [0,0,0,0,0,1|3,0,0]=4 1296 B14R2.24 ON1CCCC[C@@H]1c2ccccc2 Amb27478650 [0,0,0,0,0,1|2,0,0]=3 1297 B14R2.24 O[C@@H]1CCCCC1c2ccccc2 Amb27179098 [0,0,0,0,0,1|3,0,0]=4 1298 B14R2.24 O[C@@H]1CCCC[C@@H]1c2ccccc2 Amb27844166 [0,0,0,0,0,1|3,0,0]=4 1299 B14R2.24 O[C@@H]1CCCC[C@@H]1c2cccnc2 Amb33457487 [0,0,0,0,0,1|2,0,0]=3 1300 B14R2.24 O[C@@H]1CCCC[C@H]1c2ccccc2 Amb8384673 [0,0,0,0,0,1|3,0,0]=4 1301 B14R2.24 O[C@@H]1CCCC[C@H]1c2cccnc2 Amb27775465 [0,0,0,0,0,1|2,0,0]=3 1302 B14R2.24 O[C@@H]1CCCC[C@H]1c2cnccn2 Amb33213603 [0,0,0,0,0,1|3,0,0]=4 1303 B14R2.24 O[C@@H]1CCCC[C@H]1c2cncnc2 Amb25377814 [0,0,0,0,0,1|3,0,0]=4 1304 B14R2.24 O[C@@H]1CCCN[C@@H]1c2ccccc2 Amb23437772 [0,0,0,0,0,1|3,0,0]=4 1305 B14R2.24 O[C@@H]1CCCN[C@H]1c2ccccc2 Amb27642377 [0,0,0,0,0,1|3,0,0]=4 1306 B14R2.24 O[C@H]1CCCC[C@@H]1c2ccccc2 Amb20242422 [0,0,0,0,0,1|3,0,0]=4 1307 B14R2.24 O[C@H]1CCCC[C@H]1c2ccccc2 Amb28066562 [0,0,0,0,0,1|3,0,0]=4 1308 B14R2.24 O[C@H]1CCCC[C@H]1c2cccnc2 Amb27266039 [0,0,0,0,0,1|2,0,0]=3 1309 B14R2.24 O[C@H]1CCCC[C@H]1c2cncnc2 Amb28145060 [0,0,0,0,0,1|3,0,0]=4 1310 B14R2.24 O[C@H]1CCCN[C@H]1c2ccccc2 Amb27453699 [0,0,0,0,0,1|3,0,0]=4 1311 B14R2.24 O[C@H]1CNCC[C@@H]1c2ccccc2 Amb34913055 [0,0,0,0,0,1|3,0,0]=4 1312 B14R2.24 SC1CCCCC1c2ccccc2 Amb26490747 [0,0,0,0,0,1|3,0,0]=4 1313 B14R2.30 BrC1CCCC1Cc2cccnc2 Amb27607039 [0,0,0,0,0,1|2,0,0]=3 1314 B14R2.30 BrC1COCC1Cc2cccnc2 Amb29877890 [0,0,0,0,0,1|3,0,0]=4 1315 B14R2.30 CC1CCCC1Nc2ccccc2 Amb27470643 [0,0,0,0,0,1|2,0,0]=3 1316 B14R2.30 CC1CCCC1Nc2ccccn2 Amb27272983 [0,0,0,0,0,1|3,0,0]=4 1317 B14R2.30 CC1CCCC1Nc2ccncc2 Amb27221797 [0,0,0,0,0,1|3,0,0]=4 1318 B14R2.30 CC1CCCN1Cc2ccccc2 Amb27771867 [0,0,0,0,0,1|3,0,0]=4 1319 B14R2.30 CC1CCCN1Cc2cccnc2 Amb28349573 [0,0,0,0,0,1|2,0,0]=3 1320 B14R2.30 CC1CCN[C@H]1Cc2ccccc2 Amb27947239 [0,0,0,0,0,1|3,0,0]=4 1321 B14R2.30 CC1CNCC1Cc2ccccc2 Amb28056531 [0,0,0,0,0,1|3,0,0]=4 1322 B14R2.30 CC1COCC1Nc2ccccc2 Amb35590885 [0,0,0,0,0,1|3,0,0]=4 1323 B14R2.30 CC1COCC1Nc2cccnc2 Amb35590886 [0,0,0,0,0,1|2,0,0]=3 1324 B14R2.30 CC1COCC1Nc2cccnn2 Amb29878445 [0,0,0,0,0,1|3,0,0]=4 1325 B14R2.30 CC1COCC1Nc2cnccn2 Amb29878364 [0,0,0,0,0,1|3,0,0]=4 1326 B14R2.30 CC1COCC1Nc2cncnc2 Amb35590881 [0,0,0,0,0,1|3,0,0]=4 1327 B14R2.30 CC1CSCC1Nc2ccccc2 Amb27872676 [0,0,0,0,0,1|3,0,0]=4 1328 B14R2.30 CC1CSCC1Nc2cccnn2 Amb28137084 [0,0,0,0,0,1|3,0,0]=4 1329 B14R2.30 CC1CSCC1Nc2cnccn2 Amb27491236 [0,0,0,0,0,1|3,0,0]=4 1330 B14R2.30 CC1NCCC1Cc2ccccc2 Amb18960801 [0,0,0,0,0,1|3,0,0]=4 1331 B14R2.30 CC1OCCC1Nc2ccccc2 Amb28242101 [0,0,0,0,0,1|3,0,0]=4 1332 B14R2.30 CC1OCCC1Nc2cncnc2 Amb27873055 [0,0,0,0,0,1|3,0,0]=4 1333 B14R2.30 CC1SCCC1Nc2cnccn2 Amb28282995 [0,0,0,0,0,1|3,0,0]=4 1334 B14R2.30 CC1SCCC1Nc2cncnc2 Amb27213052 [0,0,0,0,0,1|3,0,0]=4 1335 B14R2.30 CN1CCO\C1=N/c2ccccc2 Amb27632970 [0,0,0,0,0,1|2,0,1]=4 1336 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [0,0,0,0,0,1|3,0,0]=4 1337 B14R2.30 C[C@@H]1CNC[C@H]1Cc2ccccc2 Amb33191275 [0,0,0,0,0,1|3,0,0]=4 1338 B14R2.30 C[C@H]1CCN[C@@H]1Cc2ccccc2 Amb27624379 [0,0,0,0,0,1|3,0,0]=4 1339 B14R2.30 C[C@H]1OCC[C@H]1Nc2cccnn2 Amb28454887 [0,0,0,0,0,1|3,0,0]=4 1340 B14R2.30 ClC1CCCC1Nc2cccnn2 Amb27244142 [0,0,0,0,0,1|3,0,0]=4 1341 B14R2.30 ClC1CCCC1Oc2ccccc2 Amb28040809 [0,0,0,0,0,1|3,0,0]=4 1342 B14R2.30 ClC1COCC1Cc2cccnc2 Amb29877832 [0,0,0,0,0,1|3,0,0]=4 1343 B14R2.30 Cl[C@@H]1CCC[C@@H]1Sc2ccccc2 Amb27219497 [0,0,0,0,0,1|3,0,0]=4 1344 B14R2.30 Cl[C@@H]1CCC[C@H]1Sc2ccccc2 Amb27219834 [0,0,0,0,0,1|3,0,0]=4 1345 B14R2.30 Cl[C@H]1CCC[C@@H]1Sc2ccccc2 Amb28053491 [0,0,0,0,0,1|3,0,0]=4 1346 B14R2.30 NC1CCCC1Cc2ccccc2 Amb18284144 [0,0,0,0,0,1|3,0,0]=4 1347 B14R2.30 NC1CCCC1Cc2cccnc2 Amb18196515 [0,0,0,0,0,1|2,0,0]=3 1348 B14R2.30 NC1CCCC1Nc2ccccc2 Amb23590780 [0,0,0,0,0,1|3,0,0]=4 1349 B14R2.30 NC1CCCC1Oc2ccccc2 Amb1130186 [0,0,0,0,0,1|3,0,0]=4 1350 B14R2.30 NC1CCCC1Oc2ccccc2 Amb19341661 [0,0,0,0,0,1|3,0,0]=4 1351 B14R2.30 NC1COCC1Cc2cccnc2 Amb35608412 [0,0,0,0,0,1|3,0,0]=4 1352 B14R2.30 NN1CCCC1Cc2ccccc2 Amb25135272 [0,0,0,0,0,1|2,0,0]=3 1353 B14R2.30 N[C@@H]1CCC[C@@H]1Oc2ccccc2 Amb23536469 [0,0,0,0,0,1|3,0,0]=4 1354 B14R2.30 N[C@H]1CCC[C@H]1Cc2ccccc2 Amb27244825 [0,0,0,0,0,1|3,0,0]=4 1355 B14R2.30 O=C1CCCC1Cc2ccccc2 Amb3994669 [0,0,0,0,0,1|3,0,0]=4 1356 B14R2.30 O=C1CCCC1Cc2cccnc2 Amb26641080 [0,0,0,0,0,1|2,0,0]=3 1357 B14R2.30 O=C1CCCC1Cc2cnccn2 Amb35723162 [0,0,0,0,0,1|3,0,0]=4 1358 B14R2.30 O=C1CCCC1Sc2ccccc2 Amb9269994 [0,0,0,0,0,1|3,0,0]=4 1359 B14R2.30 O=C1CCC\C1=C/c2cccnc2 Amb27857716 [0,0,0,0,0,1|2,0,1]=4 1360 B14R2.30 O=C1COCC1Cc2cccnc2 Amb35589719 [0,0,0,0,0,1|3,0,0]=4 1361 B14R2.30 OC1CCCC1Cc2ccccc2 Amb18808902 [0,0,0,0,0,1|3,0,0]=4 1362 B14R2.30 OC1CCCC1Cc2cccnc2 Amb24672858 [0,0,0,0,0,1|2,0,0]=3 1363 B14R2.30 OC1CCCC1Cc2cnccn2 Amb30007700 [0,0,0,0,0,1|3,0,0]=4 1364 B14R2.30 OC1CCCC1Sc2cnccn2 Amb28242134 [0,0,0,0,0,1|3,0,0]=4 1365 B14R2.30 OC1CCC[C@@H]1Cc2ccccc2 Amb27260244 [0,0,0,0,0,1|3,0,0]=4 1366 B14R2.30 OC1CNCC1Cc2cccnc2 Amb32950889 [0,0,0,0,0,1|3,0,0]=4 1367 B14R2.30 OC1COCC1Cc2cccnc2 Amb32945069 [0,0,0,0,0,1|3,0,0]=4 1368 B14R2.30 OC1COCC1Oc2cccnc2 Amb35612482 [0,0,0,0,0,1|3,0,0]=4 1369 B14R2.30 O[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb27452089 [0,0,0,0,0,1|3,0,0]=4 1370 B14R2.30 O[C@@H]1CCC[C@@H]1Sc2ccccc2 Amb27207356 [0,0,0,0,0,1|3,0,0]=4 1371 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccccc2 Amb26905499 [0,0,0,0,0,1|3,0,0]=4 1372 B14R2.30 O[C@@H]1CCC[C@H]1Cc2cccnc2 Amb32944668 [0,0,0,0,0,1|2,0,0]=3 1373 B14R2.30 O[C@@H]1CCC[C@H]1Nc2ccccc2 Amb24726900 [0,0,0,0,0,1|3,0,0]=4 1374 B14R2.30 O[C@@H]1CCC[C@H]1Oc2cccnc2 Amb24396560 [0,0,0,0,0,1|2,0,0]=3 1375 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 Amb25839231 [0,0,0,0,0,1|3,0,0]=4 1376 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 Amb25973659 [0,0,0,0,0,1|3,0,0]=4 1377 B14R2.30 O[C@@H]1CNC[C@H]1Cc2cccnc2 Amb32945339 [0,0,0,0,0,1|3,0,0]=4 1378 B14R2.30 O[C@@H]1CNC[C@H]1Oc2cccnc2 Amb27191035 [0,0,0,0,0,1|3,0,0]=4 1379 B14R2.30 O[C@@H]1COC[C@H]1Cc2cccnc2 Amb33212850 [0,0,0,0,0,1|3,0,0]=4 1380 B14R2.30 O[C@@H]1COC[C@H]1Oc2cccnc2 Amb29882838 [0,0,0,0,0,1|3,0,0]=4 1381 B14R2.30 O[C@H]1CCC[C@@H]1Oc2ccccc2 Amb27822942 [0,0,0,0,0,1|3,0,0]=4 1382 B14R2.30 O[C@H]1CCC[C@@H]1Oc2cccnc2 Amb27223573 [0,0,0,0,0,1|2,0,0]=3 1383 B14R2.30 O[C@H]1CCC[C@@H]1Sc2ccccc2 Amb28248826 [0,0,0,0,0,1|3,0,0]=4 1384 B14R2.30 O[C@H]1CCC[C@H]1Oc2ccccc2 Amb28286728 [0,0,0,0,0,1|3,0,0]=4 1385 B11R1.12 C#CC(NC)c1cccnc1 Amb27494399 [1,0,1,0,0,0|0,0,2]=4 1386 B11R1.12 C=CC(NC)c1cccnc1 Amb27601261 [1,0,1,0,0,0|0,0,2]=4 1387 B11R1.12 CCB(CC)c1cccnc1 Amb9825909 [1,0,1,0,0,0|2,0,0]=4 1388 B11R1.12 CCC(C=O)c1cccnc1 Amb27631428 [1,0,1,0,0,0|2,0,0]=4 1389 B11R1.12 CCC(CN)c1cccnc1 Amb18251338 [1,0,1,0,0,0|2,0,0]=4 1390 B11R1.12 CCC(NC)c1ccccc1 Amb22492401 [1,0,1,0,0,0|1,0,0]=3 1391 B11R1.12 CCC(NC)c1ccccc1 Amb9705433 [1,0,1,0,0,0|1,0,0]=3 1392 B11R1.12 CCC(NC)c1ccccn1 Amb10607918 [1,0,1,0,0,0|2,0,0]=4 1393 B11R1.12 CCC(NC)c1cccnc1 Amb10607958 [1,0,1,0,0,0|0,0,0]=2 1394 B11R1.12 CCC(NC)c1ccncc1 Amb18301849 [1,0,1,0,0,0|2,0,0]=4 1395 B11R1.12 CCC(NC)c1ccnnc1 Amb27880752 [1,0,1,0,0,0|1,0,0]=3 1396 B11R1.12 CCC(NC)c1cnccn1 Amb18301460 [1,0,1,0,0,0|1,0,0]=3 1397 B11R1.12 CCC(NC)c1cncnc1 Amb18298659 [1,0,1,0,0,0|1,0,0]=3 1398 B11R1.12 CCC(NN)c1ccccc1 Amb6245428 [1,0,1,0,0,0|2,0,0]=4 1399 B11R1.12 CCC(NN)c1cnccn1 Amb27479874 [1,0,1,0,0,0|2,0,0]=4 1400 B11R1.12 CCN(CC)c1cccnc1 Amb18268930 [1,0,1,0,0,0|2,0,0]=4 1401 B11R1.12 CC[C@H](CO)c1cccnc1 Amb28281934 [1,0,1,0,0,0|2,0,0]=4 1402 B11R1.12 CC[C@H](NC)c1ccccc1 Amb27758866 [1,0,1,0,0,0|1,0,0]=3 1403 B11R1.12 CNC(C#N)c1cccnc1 Amb22551064 [1,0,1,0,0,0|1,0,1]=4 1404 B11R1.12 CNC(C#N)c1cccnc1 Amb9205102 [1,0,1,0,0,0|1,0,1]=4 1405 B11R1.12 CNC(CN)c1ccccc1 Amb32661838 [1,0,1,0,0,0|2,0,0]=4 1406 B11R1.12 CNC(CO)c1ccccc1 Amb18035932 [1,0,1,0,0,0|2,0,0]=4 1407 B11R1.12 CNC(CO)c1cccnc1 Amb17232101 [1,0,1,0,0,0|1,0,0]=3 1408 B11R1.12 CNC(CS)c1ccccc1 Amb27945468 [1,0,1,0,0,0|2,0,0]=4 1409 B11R1.12 CN[C@@H](CN)c1ccccc1 Amb27830229 [1,0,1,0,0,0|2,0,0]=4 1410 B11R1.12 CN[C@H](CO)c1ccccc1 Amb33871648 [1,0,1,0,0,0|2,0,0]=4 1411 B11R1.12 COC(CN)c1cccnc1 Amb18980565 [1,0,1,0,0,0|2,0,0]=4 1412 B11R1.16 C=CC[C@@H](N)c1cccnc1 Amb24487504 [1,0,1,0,0,0|0,0,2]=4 1413 B11R1.16 CC(CCBr)c1ccccc1 Amb857802 [1,0,1,0,0,0|2,0,0]=4 1414 B11R1.16 CC(CCCl)c1ccccc1 Amb17232691 [1,0,1,0,0,0|2,0,0]=4 1415 B11R1.16 CC(CCN)c1ccccc1 Amb17991256 [1,0,1,0,0,0|2,0,0]=4 1416 B11R1.16 CC(CCN)c1ccccc1 Amb5739006 [1,0,1,0,0,0|2,0,0]=4 1417 B11R1.16 CC(CCN)c1cccnc1 Amb18293554 [1,0,1,0,0,0|1,0,0]=3 1418 B11R1.16 CC(CCN)c1cnccn1 Amb27751261 [1,0,1,0,0,0|2,0,0]=4 1419 B11R1.16 CC(CCN)c1cncnc1 Amb24467901 [1,0,1,0,0,0|2,0,0]=4 1420 B11R1.16 CC(CCO)c1ccccc1 Amb3938966 [1,0,1,0,0,0|2,0,0]=4 1421 B11R1.16 CC(CCS)c1ccccc1 Amb25866017 [1,0,1,0,0,0|2,0,0]=4 1422 B11R1.16 CC(CON)c1cccnc1 Amb33360042 [1,0,1,0,0,0|2,0,0]=4 1423 B11R1.16 CC(NC=O)c1cccnc1 Amb10070156 [1,0,1,0,0,0|1,0,1]=4 1424 B11R1.16 CC(NCO)c1ccccc1 Amb27403352 [1,0,1,0,0,0|2,0,0]=4 1425 B11R1.16 CCCC(=O)c1cccnc1 Amb17232054 [1,0,1,0,0,0|1,0,1]=4 1426 B11R1.16 CCCC(Br)c1ccccc1 Amb8835450 [1,0,1,0,0,0|2,0,0]=4 1427 B11R1.16 CCCC(C)c1ccccc1 Amb4017935 [1,0,1,0,0,0|1,0,0]=3 1428 B11R1.16 CCCC(Cl)c1ccccc1 Amb7766848 [1,0,1,0,0,0|2,0,0]=4 1429 B11R1.16 CCCC(N)c1ccccc1 Amb8503301 [1,0,1,0,0,0|1,0,0]=3 1430 B11R1.16 CCCC(N)c1ccccc1 Amb9729508 [1,0,1,0,0,0|1,0,0]=3 1431 B11R1.16 CCCC(N)c1ccccn1 Amb18984959 [1,0,1,0,0,0|2,0,0]=4 1432 B11R1.16 CCCC(N)c1cccnc1 Amb18984960 [1,0,1,0,0,0|0,0,0]=2 1433 B11R1.16 CCCC(N)c1ccncc1 Amb18984961 [1,0,1,0,0,0|2,0,0]=4 1434 B11R1.16 CCCC(N)c1ccncc1 Amb30982091 [1,0,1,0,0,0|2,0,0]=4 1435 B11R1.16 CCCC(N)c1ccnnc1 Amb27879506 [1,0,1,0,0,0|1,0,0]=3 1436 B11R1.16 CCCC(O)c1ccccc1 Amb9748221 [1,0,1,0,0,0|2,0,0]=4 1437 B11R1.16 CCCC(O)c1cccnc1 Amb17232090 [1,0,1,0,0,0|1,0,0]=3 1438 B11R1.16 CCCC(O)c1ccnnc1 Amb27210620 [1,0,1,0,0,0|2,0,0]=4 1439 B11R1.16 CCCC(S)c1ccccc1 Amb9208055 [1,0,1,0,0,0|2,0,0]=4 1440 B11R1.16 CCCN(C)c1ccccc1 Amb27176635 [1,0,1,0,0,0|2,0,0]=4 1441 B11R1.16 CCC[C@@H](N)c1ccccc1 Amb16233791 [1,0,1,0,0,0|1,0,0]=3 1442 B11R1.16 CCC[C@@H](N)c1ccccc1 Amb22388605 [1,0,1,0,0,0|1,0,0]=3 1443 B11R1.16 CCC[C@@H](O)c1cccnc1 Amb28069903 [1,0,1,0,0,0|1,0,0]=3 1444 B11R1.16 CCC[C@@H](O)c1cnccn1 Amb27972763 [1,0,1,0,0,0|2,0,0]=4 1445 B11R1.16 CCC[C@H](N)c1ccccc1 Amb20241164 [1,0,1,0,0,0|1,0,0]=3 1446 B11R1.16 CCC[C@H](N)c1ccccc1 Amb23385315 [1,0,1,0,0,0|1,0,0]=3 1447 B11R1.16 CCC[C@H](N)c1cncnc1 Amb28346077 [1,0,1,0,0,0|1,0,0]=3 1448 B11R1.16 CCC[C@H](O)c1ccccc1 Amb22338698 [1,0,1,0,0,0|2,0,0]=4 1449 B11R1.16 CCC[C@H](O)c1cnccn1 Amb27206223 [1,0,1,0,0,0|2,0,0]=4 1450 B11R1.16 CCNC(C)c1ccccc1 Amb1771733 [1,0,1,0,0,0|1,0,0]=3 1451 B11R1.16 CCNC(C)c1ccccc1 Amb6537886 [1,0,1,0,0,0|1,0,0]=3 1452 B11R1.16 CCNC(C)c1cccnc1 Amb9726977 [1,0,1,0,0,0|0,0,0]=2 1453 B11R1.16 CCNC(C)c1ccncc1 Amb33548282 [1,0,1,0,0,0|2,0,0]=4 1454 B11R1.16 CCNC(C)c1ccncc1 Amb6272006 [1,0,1,0,0,0|2,0,0]=4 1455 B11R1.16 CCNC(C)c1cnccn1 Amb18968355 [1,0,1,0,0,0|1,0,0]=3 1456 B11R1.16 CCN[C@@H](C)c1ccccc1 Amb27175162 [1,0,1,0,0,0|1,0,0]=3 1457 B11R1.16 CCN[C@H](C)c1ccccn1 Amb28249175 [1,0,1,0,0,0|2,0,0]=4 1458 B11R1.16 CCOC(C)c1ccccc1 Amb17940188 [1,0,1,0,0,0|2,0,0]=4 1459 B11R1.16 CCSC(C)c1ccccc1 Amb28145240 [1,0,1,0,0,0|2,0,0]=4 1460 B11R1.16 CCSC(C)c1cnccn1 Amb27854027 [1,0,1,0,0,0|2,0,0]=4 1461 B11R1.16 CC\N=C(/N)c1cccnc1 Amb21970333 [1,0,1,0,0,0|1,0,1]=4 1462 B11R1.16 CNCC(C)c1ccccc1 Amb17619365 [1,0,1,0,0,0|2,0,0]=4 1463 B11R1.16 CNCC(C)c1ccccc1 Amb6355911 [1,0,1,0,0,0|2,0,0]=4 1464 B11R1.16 CNCC(N)c1ccccc1 Amb18290185 [1,0,1,0,0,0|2,0,0]=4 1465 B11R1.16 CNCC(O)c1cccnc1 Amb17138441 [1,0,1,0,0,0|2,0,0]=4 1466 B11R1.16 CNCC(O)c1cccnc1 Amb19515701 [1,0,1,0,0,0|2,0,0]=4 1467 B11R1.16 CNC[C@@H](C)c1ccccc1 Amb27253876 [1,0,1,0,0,0|2,0,0]=4 1468 B11R1.16 CNC[C@@H](O)c1cccnc1 Amb28067718 [1,0,1,0,0,0|2,0,0]=4 1469 B11R1.16 COCC(N)c1ccccc1 Amb1134749 [1,0,1,0,0,0|2,0,0]=4 1470 B11R1.16 COCC(N)c1ccccc1 Amb13952604 [1,0,1,0,0,0|2,0,0]=4 1471 B11R1.16 COCC(N)c1cccnn1 Amb28348139 [1,0,1,0,0,0|2,0,0]=4 1472 B11R1.16 COCC(N)c1ccnnc1 Amb28047369 [1,0,1,0,0,0|2,0,0]=4 1473 B11R1.16 COC[C@@H](N)c1ccccc1 Amb17061641 [1,0,1,0,0,0|2,0,0]=4 1474 B11R1.16 COC[C@@H](N)c1cccnc1 Amb24351094 [1,0,1,0,0,0|1,0,0]=3 1475 B11R1.16 COC[C@@H](N)c1cccnc1 Amb33804039 [1,0,1,0,0,0|1,0,0]=3 1476 B11R1.16 COC[C@@H](N)c1cccnn1 Amb28186989 [1,0,1,0,0,0|2,0,0]=4 1477 B11R1.16 COC[C@@H](N)c1cnccn1 Amb27881556 [1,0,1,0,0,0|2,0,0]=4 1478 B11R1.16 COC[C@@H](N)c1cncnc1 Amb27640248 [1,0,1,0,0,0|2,0,0]=4 1479 B11R1.16 COC[C@H](N)c1ccccc1 Amb22737495 [1,0,1,0,0,0|2,0,0]=4 1480 B11R1.16 COC[C@H](N)c1cccnc1 Amb24533043 [1,0,1,0,0,0|1,0,0]=3 1481 B11R1.16 COC[C@H](N)c1cccnc1 Amb33803139 [1,0,1,0,0,0|1,0,0]=3 1482 B11R1.16 CONC(C)c1ccccc1 Amb22896960 [1,0,1,0,0,0|2,0,0]=4 1483 B11R1.16 CSCC(N)c1ccccc1 Amb18300065 [1,0,1,0,0,0|2,0,0]=4 1484 B11R1.16 CSC[C@H](N)c1ccccc1 Amb28397956 [1,0,1,0,0,0|2,0,0]=4 1485 B11R1.16 C[C@@H](CCN)c1ccccc1 Amb28285355 [1,0,1,0,0,0|2,0,0]=4 1486 B11R1.16 C[C@H](CCO)c1ccccc1 Amb24371178 [1,0,1,0,0,0|2,0,0]=4 1487 B11R1.16 C[C@H](NC#N)c1cccnc1 Amb27760812 [1,0,1,0,0,0|1,0,1]=4 1488 B11R1.16 N#CCC(N)c1cccnc1 Amb18064998 [1,0,1,0,0,0|1,0,1]=4 1489 B11R1.16 N#CC[C@H](N)c1cccnc1 Amb28282641 [1,0,1,0,0,0|1,0,1]=4 1490 B11R1.16 NC(CCCl)c1ccccc1 Amb27247405 [1,0,1,0,0,0|2,0,0]=4 1491 B11R1.16 NC(CCO)c1ccccc1 Amb1993953 [1,0,1,0,0,0|2,0,0]=4 1492 B11R1.16 NC(CCO)c1cccnc1 Amb2697495 [1,0,1,0,0,0|1,0,0]=3 1493 B11R1.16 NC(CCO)c1cnccn1 Amb22296969 [1,0,1,0,0,0|2,0,0]=4 1494 B11R1.16 NC(CCO)c1cncnc1 Amb27436559 [1,0,1,0,0,0|2,0,0]=4 1495 B11R1.16 NCCC(F)c1cccnc1 Amb25936622 [1,0,1,0,0,0|2,0,0]=4 1496 B11R1.16 NCCC(N)c1ccccc1 Amb18972395 [1,0,1,0,0,0|2,0,0]=4 1497 B11R1.16 NCCC(N)c1cccnc1 Amb27489008 [1,0,1,0,0,0|1,0,0]=3 1498 B11R1.16 NCCC(O)c1cccnc1 Amb18639338 [1,0,1,0,0,0|2,0,0]=4 1499 B11R1.16 NCC[C@@H](O)c1cccnc1 Amb33360063 [1,0,1,0,0,0|2,0,0]=4 1500 B11R1.16 NCC[C@H](N)c1cccnc1 Amb27205253 [1,0,1,0,0,0|1,0,0]=3 1501 B11R1.16 NCC[C@H](O)c1cccnc1 Amb33360062 [1,0,1,0,0,0|2,0,0]=4 1502 B11R1.16 N[C@@H](CCO)c1ccccc1 Amb8384290 [1,0,1,0,0,0|2,0,0]=4 1503 B11R1.16 N[C@@H](CCO)c1cccnc1 Amb26920229 [1,0,1,0,0,0|1,0,0]=3 1504 B11R1.16 N[C@@H](CCO)c1cnccn1 Amb27654624 [1,0,1,0,0,0|2,0,0]=4 1505 B11R1.16 N[C@@H](CCO)c1cncnc1 Amb28383505 [1,0,1,0,0,0|2,0,0]=4 1506 B11R1.16 N[C@H](CCO)c1ccccc1 Amb22265524 [1,0,1,0,0,0|2,0,0]=4 1507 B11R1.16 N[C@H](CCO)c1ccccc1 Amb8397180 [1,0,1,0,0,0|2,0,0]=4 1508 B11R1.16 N[C@H](CCO)c1cccnc1 Amb26505375 [1,0,1,0,0,0|1,0,0]=3 1509 B11R1.16 N[C@H](CCO)c1cccnc1 Amb33803480 [1,0,1,0,0,0|1,0,0]=3 1510 B11R1.16 OCCC(O)c1cccnc1 Amb27257189 [1,0,1,0,0,0|2,0,0]=4 1511 B11R1.28 BrCCCCc1ccccc1 Amb2685395 [1,0,1,0,0,0|2,0,0]=4 1512 B11R1.28 BrCCCOc1cccnc1 Amb22900113 [1,0,1,0,0,0|2,0,0]=4 1513 B11R1.28 BrCCNCc1ccccc1 Amb18131678 [1,0,1,0,0,0|2,0,0]=4 1514 B11R1.28 C#CCNCc1cccnc1 Amb35747649 [1,0,1,0,0,0|0,0,2]=4 1515 B11R1.28 C#CCNCc1cccnc1 Amb5262797 [1,0,1,0,0,0|0,0,2]=4 1516 B11R1.28 C=CCNCc1cccnc1 Amb19890377 [1,0,1,0,0,0|0,0,2]=4 1517 B11R1.28 C=CCNCc1cccnc1 Amb19891174 [1,0,1,0,0,0|0,0,2]=4 1518 B11R1.28 C=CCNCc1cccnc1 Amb6683809 [1,0,1,0,0,0|0,0,2]=4 1519 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [1,0,1,0,0,0|2,0,0]=4 1520 B11R1.28 CCCCCc1ccccc1 Amb2722921 [1,0,1,0,0,0|1,0,0]=3 1521 B11R1.28 CCCCCc1ccccn1 Amb533507 [1,0,1,0,0,0|2,0,0]=4 1522 B11R1.28 CCCCCc1cccnc1 Amb17672949 [1,0,1,0,0,0|0,0,0]=2 1523 B11R1.28 CCCCCc1ccncc1 Amb17672950 [1,0,1,0,0,0|2,0,0]=4 1524 B11R1.28 CCCCCc1cnccn1 Amb9814232 [1,0,1,0,0,0|1,0,0]=3 1525 B11R1.28 CCCCNc1ccccc1 Amb3940154 [1,0,1,0,0,0|2,0,0]=4 1526 B11R1.28 CCCCNc1cccnc1 Amb6686633 [1,0,1,0,0,0|1,0,0]=3 1527 B11R1.28 CCCCNc1cncnc1 Amb27490392 [1,0,1,0,0,0|2,0,0]=4 1528 B11R1.28 CCCCOc1ccccc1 Amb2685665 [1,0,1,0,0,0|2,0,0]=4 1529 B11R1.28 CCCCOc1cccnc1 Amb25382997 [1,0,1,0,0,0|1,0,0]=3 1530 B11R1.28 CCCCSc1ccccc1 Amb3836105 [1,0,1,0,0,0|2,0,0]=4 1531 B11R1.28 CCCNCc1ccccc1 Amb1105937 [1,0,1,0,0,0|1,0,0]=3 1532 B11R1.28 CCCNCc1ccccc1 Amb6537999 [1,0,1,0,0,0|1,0,0]=3 1533 B11R1.28 CCCNCc1ccccn1 Amb19890306 [1,0,1,0,0,0|2,0,0]=4 1534 B11R1.28 CCCNCc1ccccn1 Amb19890563 [1,0,1,0,0,0|2,0,0]=4 1535 B11R1.28 CCCNCc1ccccn1 Amb2592504 [1,0,1,0,0,0|2,0,0]=4 1536 B11R1.28 CCCNCc1cccnc1 Amb19890575 [1,0,1,0,0,0|0,0,0]=2 1537 B11R1.28 CCCNCc1cccnc1 Amb6864723 [1,0,1,0,0,0|0,0,0]=2 1538 B11R1.28 CCCNCc1cccnc1 Amb838293 [1,0,1,0,0,0|0,0,0]=2 1539 B11R1.28 CCCNCc1cccnn1 Amb27271274 [1,0,1,0,0,0|1,0,0]=3 1540 B11R1.28 CCCNCc1ccncc1 Amb19890591 [1,0,1,0,0,0|2,0,0]=4 1541 B11R1.28 CCCNCc1ccncc1 Amb6864722 [1,0,1,0,0,0|2,0,0]=4 1542 B11R1.28 CCCNCc1ccncc1 Amb837657 [1,0,1,0,0,0|2,0,0]=4 1543 B11R1.28 CCCNCc1cnccn1 Amb8853764 [1,0,1,0,0,0|1,0,0]=3 1544 B11R1.28 CCCNCc1cncnc1 Amb18313855 [1,0,1,0,0,0|1,0,0]=3 1545 B11R1.28 CCCSCc1ccccc1 Amb27000631 [1,0,1,0,0,0|2,0,0]=4 1546 B11R1.28 CCC\N=C\c1cccnc1 Amb26446590 [1,0,1,0,0,0|0,0,2]=4 1547 B11R1.28 CCNCCc1ccccc1 Amb33551205 [1,0,1,0,0,0|2,0,0]=4 1548 B11R1.28 CCNCCc1ccccc1 Amb6244873 [1,0,1,0,0,0|2,0,0]=4 1549 B11R1.28 CCOCCc1ccccc1 Amb4035236 [1,0,1,0,0,0|2,0,0]=4 1550 B11R1.28 CCONCc1ccccc1 Amb25151184 [1,0,1,0,0,0|2,0,0]=4 1551 B11R1.28 CCONCc1cccnc1 Amb27987598 [1,0,1,0,0,0|1,0,0]=3 1552 B11R1.28 CCSCCc1cccnc1 Amb27988879 [1,0,1,0,0,0|1,0,0]=3 1553 B11R1.28 CNCCCc1ccccc1 Amb21954280 [1,0,1,0,0,0|1,0,0]=3 1554 B11R1.28 CNCCCc1ccccc1 Amb2721795 [1,0,1,0,0,0|1,0,0]=3 1555 B11R1.28 CNCCCc1ccccn1 Amb18312462 [1,0,1,0,0,0|2,0,0]=4 1556 B11R1.28 CNCCNc1ccccc1 Amb6825621 [1,0,1,0,0,0|2,0,0]=4 1557 B11R1.28 CNCCOc1ccccc1 Amb1105525 [1,0,1,0,0,0|2,0,0]=4 1558 B11R1.28 CNCCOc1ccccc1 Amb2691365 [1,0,1,0,0,0|2,0,0]=4 1559 B11R1.28 CNCCSc1ccccc1 Amb10608735 [1,0,1,0,0,0|2,0,0]=4 1560 B11R1.28 CNCCSc1ccccc1 Amb17622507 [1,0,1,0,0,0|2,0,0]=4 1561 B11R1.28 CNCCSc1cnccn1 Amb27269175 [1,0,1,0,0,0|2,0,0]=4 1562 B11R1.28 CNC\C=C/c1cccnc1 Amb28423371 [1,0,1,0,0,0|0,0,2]=4 1563 B11R1.28 CNC\C=C\c1cccnc1 Amb23442752 [1,0,1,0,0,0|0,0,2]=4 1564 B11R1.28 COCCNc1cccnc1 Amb18268638 [1,0,1,0,0,0|2,0,0]=4 1565 B11R1.28 COCNCc1ccccc1 Amb25053350 [1,0,1,0,0,0|2,0,0]=4 1566 B11R1.28 CONCCc1cccnc1 Amb27987592 [1,0,1,0,0,0|2,0,0]=4 1567 B11R1.28 CSCCCc1ccccc1 Amb25383748 [1,0,1,0,0,0|2,0,0]=4 1568 B11R1.28 CSCCOc1cccnc1 Amb27492324 [1,0,1,0,0,0|2,0,0]=4 1569 B11R1.28 CSCNCc1ccccc1 Amb26414504 [1,0,1,0,0,0|2,0,0]=4 1570 B11R1.28 ClCCCCc1ccccc1 Amb3940707 [1,0,1,0,0,0|2,0,0]=4 1571 B11R1.28 ClCCCCc1cnccn1 Amb27989999 [1,0,1,0,0,0|2,0,0]=4 1572 B11R1.28 ClCCCOc1cccnc1 Amb27266776 [1,0,1,0,0,0|2,0,0]=4 1573 B11R1.28 ClCCNCc1ccccc1 Amb2880633 [1,0,1,0,0,0|2,0,0]=4 1574 B11R1.28 ClCCNCc1ccccc1 Amb4323279 [1,0,1,0,0,0|2,0,0]=4 1575 B11R1.28 ClCCNCc1cccnc1 Amb17334833 [1,0,1,0,0,0|1,0,0]=3 1576 B11R1.28 ClCCSCc1cccnc1 Amb27492362 [1,0,1,0,0,0|2,0,0]=4 1577 B11R1.28 FCCNCc1ccccc1 Amb24611358 [1,0,1,0,0,0|2,0,0]=4 1578 B11R1.28 FCCNCc1cccnn1 Amb27671493 [1,0,1,0,0,0|2,0,0]=4 1579 B11R1.28 ICCCCc1ccccc1 Amb25380384 [1,0,1,0,0,0|2,0,0]=4 1580 B11R1.28 N#CCNCc1cccnc1 Amb6628503 [1,0,1,0,0,0|1,0,1]=4 1581 B11R1.28 NCCCCc1ccccc1 Amb1227740 [1,0,1,0,0,0|1,0,0]=3 1582 B11R1.28 NCCCCc1ccccn1 Amb1102767 [1,0,1,0,0,0|2,0,0]=4 1583 B11R1.28 NCCCCc1cccnc1 Amb5735490 [1,0,1,0,0,0|0,0,0]=2 1584 B11R1.28 NCCCCc1cccnn1 Amb18201561 [1,0,1,0,0,0|1,0,0]=3 1585 B11R1.28 NCCCCc1ccncc1 Amb17991253 [1,0,1,0,0,0|2,0,0]=4 1586 B11R1.28 NCCCCc1ccncc1 Amb5735491 [1,0,1,0,0,0|2,0,0]=4 1587 B11R1.28 NCCCCc1cnccn1 Amb25385068 [1,0,1,0,0,0|1,0,0]=3 1588 B11R1.28 NCCCCc1cncnc1 Amb18125322 [1,0,1,0,0,0|1,0,0]=3 1589 B11R1.28 NCCCNc1ccccc1 Amb10086594 [1,0,1,0,0,0|2,0,0]=4 1590 B11R1.28 NCCCNc1cccnc1 Amb10607841 [1,0,1,0,0,0|1,0,0]=3 1591 B11R1.28 NCCCNc1ccnnc1 Amb35745424 [1,0,1,0,0,0|2,0,0]=4 1592 B11R1.28 NCCCNc1cnccn1 Amb6257959 [1,0,1,0,0,0|2,0,0]=4 1593 B11R1.28 NCCCOc1ccccc1 Amb1108619 [1,0,1,0,0,0|2,0,0]=4 1594 B11R1.28 NCCCOc1ccccc1 Amb2606353 [1,0,1,0,0,0|2,0,0]=4 1595 B11R1.28 NCCCOc1cccnc1 Amb9392842 [1,0,1,0,0,0|1,0,0]=3 1596 B11R1.28 NCCCOc1cnccn1 Amb18308518 [1,0,1,0,0,0|2,0,0]=4 1597 B11R1.28 NCCCOc1cncnc1 Amb32876795 [1,0,1,0,0,0|2,0,0]=4 1598 B11R1.28 NCCCSc1ccccc1 Amb1089343 [1,0,1,0,0,0|2,0,0]=4 1599 B11R1.28 NCCCSc1ccccc1 Amb2099802 [1,0,1,0,0,0|2,0,0]=4 1600 B11R1.28 NCCCSc1cnccn1 Amb27269172 [1,0,1,0,0,0|2,0,0]=4 1601 B11R1.28 NCCNCc1ccccc1 Amb2725583 [1,0,1,0,0,0|2,0,0]=4 1602 B11R1.28 NCCNCc1cccnc1 Amb17091029 [1,0,1,0,0,0|1,0,0]=3 1603 B11R1.28 NCCNCc1cccnc1 Amb29844477 [1,0,1,0,0,0|1,0,0]=3 1604 B11R1.28 NCCOCc1ccccc1 Amb1081962 [1,0,1,0,0,0|2,0,0]=4 1605 B11R1.28 NCCOCc1ccccc1 Amb2137059 [1,0,1,0,0,0|2,0,0]=4 1606 B11R1.28 NCCOCc1ccccc1 Amb28524733 [1,0,1,0,0,0|2,0,0]=4 1607 B11R1.28 NCCPCc1ccccc1 Amb27990149 [1,0,1,0,0,0|2,0,0]=4 1608 B11R1.28 NCCSCc1ccccc1 Amb432271 [1,0,1,0,0,0|2,0,0]=4 1609 B11R1.28 NCCSCc1ccccc1 Amb6335199 [1,0,1,0,0,0|2,0,0]=4 1610 B11R1.28 NCCSCc1cccnc1 Amb6277252 [1,0,1,0,0,0|1,0,0]=3 1611 B11R1.28 NCCSCc1cnccn1 Amb9298070 [1,0,1,0,0,0|2,0,0]=4 1612 B11R1.28 NCC\C=C/c1cccnc1 Amb27391665 [1,0,1,0,0,0|0,0,2]=4 1613 B11R1.28 NCC\C=C\c1cccnc1 Amb25061778 [1,0,1,0,0,0|0,0,2]=4 1614 B11R1.28 NNCCCc1ccccc1 Amb19373221 [1,0,1,0,0,0|2,0,0]=4 1615 B11R1.28 NNCCCc1ccccc1 Amb6252219 [1,0,1,0,0,0|2,0,0]=4 1616 B11R1.28 NNCCCc1cccnc1 Amb18125323 [1,0,1,0,0,0|1,0,0]=3 1617 B11R1.28 NOCCCc1ccccc1 Amb2610651 [1,0,1,0,0,0|2,0,0]=4 1618 B11R1.28 NOCCCc1cccnc1 Amb17089547 [1,0,1,0,0,0|1,0,0]=3 1619 B11R1.28 O=CCCCc1cccnc1 Amb24099514 [1,0,1,0,0,0|1,0,1]=4 1620 B11R1.28 OCCCCc1ccccc1 Amb3939083 [1,0,1,0,0,0|2,0,0]=4 1621 B11R1.28 OCCCCc1cccnc1 Amb22732495 [1,0,1,0,0,0|1,0,0]=3 1622 B11R1.28 OCCCCc1cnccn1 Amb27269855 [1,0,1,0,0,0|2,0,0]=4 1623 B11R1.28 OCCCOc1cccnc1 Amb27266775 [1,0,1,0,0,0|2,0,0]=4 1624 B11R1.28 OCCNCc1ccccc1 Amb1835287 [1,0,1,0,0,0|2,0,0]=4 1625 B11R1.28 OCCNCc1ccccc1 Amb6537902 [1,0,1,0,0,0|2,0,0]=4 1626 B11R1.28 OCCNCc1cccnc1 Amb2721834 [1,0,1,0,0,0|1,0,0]=3 1627 B11R1.28 OCCNCc1cccnn1 Amb27671491 [1,0,1,0,0,0|2,0,0]=4 1628 B11R1.28 OCCSCc1cccnc1 Amb9274166 [1,0,1,0,0,0|2,0,0]=4 1629 B11R1.28 ONCCCc1ccccc1 Amb26650950 [1,0,1,0,0,0|2,0,0]=4 1630 B11R1.28 SCCCCc1ccccc1 Amb17400224 [1,0,1,0,0,0|2,0,0]=4 1631 B11R1.28 SCCCCc1cccnc1 Amb18563823 [1,0,1,0,0,0|1,0,0]=3 1632 B11R1.28 SCCNCc1ccccc1 Amb4405222 [1,0,1,0,0,0|2,0,0]=4 1633 B11R1.28 SCCNCc1cccnc1 Amb27001194 [1,0,1,0,0,0|1,0,0]=3 1634 B11R1.40 CC(CN)Cc1cccnc1 Amb5743834 [1,0,1,0,0,0|2,0,0]=4 1635 B11R1.40 CC(CO)Cc1cccnc1 Amb28350489 [1,0,1,0,0,0|2,0,0]=4 1636 B11R1.40 CCC(=O)Cc1cccnc1 Amb17477730 [1,0,1,0,0,0|2,0,0]=4 1637 B11R1.40 CCC(C)Oc1cccnc1 Amb27432375 [1,0,1,0,0,0|2,0,0]=4 1638 B11R1.40 CCC(N)Cc1cccnc1 Amb9428899 [1,0,1,0,0,0|2,0,0]=4 1639 B11R1.40 CCN(C)Cc1cccnc1 Amb26606819 [1,0,1,0,0,0|0,0,0]=2 1640 B11R1.40 CCN(C)Cc1cncnc1 Amb27396731 [1,0,1,0,0,0|1,0,0]=3 1641 B11R1.40 CCN(N)Cc1ccccc1 Amb17232076 [1,0,1,0,0,0|2,0,0]=4 1642 B11R1.40 CC[C@H](C)Cc1ccccc1 Amb25892475 [1,0,1,0,0,0|2,0,0]=4 1643 B11R1.40 CN(C#N)Cc1cccnc1 Amb28324095 [1,0,1,0,0,0|1,0,1]=4 1644 B11R1.40 CNC(C)Cc1cccnc1 Amb5735448 [1,0,1,0,0,0|2,0,0]=4 1645 B11R1.40 C[C@@H](CN)Cc1cccnc1 Amb33731721 [1,0,1,0,0,0|2,0,0]=4 1646 B11R1.40 C[C@@H](CO)Cc1cccnc1 Amb33741020 [1,0,1,0,0,0|2,0,0]=4 1647 B11R1.40 C[C@H](CN)Cc1cccnc1 Amb33737491 [1,0,1,0,0,0|2,0,0]=4 1648 B11R1.40 C[C@H](CO)Cc1cccnc1 Amb33737852 [1,0,1,0,0,0|2,0,0]=4 1649 B11R1.36 CC(C)C(C)c1ccccc1 Amb4017389 [1,0,1,0,0,0|2,0,0]=4 1650 B11R1.36 CC(C)C(N)c1cccnc1 Amb10607960 [1,0,1,0,0,0|2,0,0]=4 1651 B11R1.36 CC(C)C(N)c1cccnc1 Amb13949194 [1,0,1,0,0,0|2,0,0]=4 1652 B11R1.36 CC(C)[C@@H](C)c1ccccc1 Amb27445308 [1,0,1,0,0,0|2,0,0]=4 1653 B11R1.36 CC(C)[C@@H](N)c1cccnc1 Amb24538246 [1,0,1,0,0,0|2,0,0]=4 1654 B11R1.36 CC(C)[C@H](C)c1ccccc1 Amb27816366 [1,0,1,0,0,0|2,0,0]=4 1655 B11R1.36 CC(C)[C@H](N)c1cccnc1 Amb24432837 [1,0,1,0,0,0|2,0,0]=4 1656 B11R1.36 CC(C)[C@H](N)c1cccnc1 Amb31291079 [1,0,1,0,0,0|2,0,0]=4 1657 B11R1.36 CC(N)C(C)c1cccnc1 Amb18201853 [1,0,1,0,0,0|2,0,0]=4 1658 B11R1.36 CC(O)C(C)c1cccnc1 Amb27227517 [1,0,1,0,0,0|2,0,0]=4 1659 B11R1.36 CC(c1ccccc1)N(C)C Amb4034685 [1,0,1,0,0,0|1,0,0]=3 1660 B11R1.36 CC(c1cccnc1)[C@@H](C)N Amb33731284 [1,0,1,0,0,0|2,0,0]=4 1661 B11R1.36 CC(c1cccnc1)[C@H](C)N Amb33729328 [1,0,1,0,0,0|2,0,0]=4 1662 B11R1.36 CN(C)C(=N)c1cccnc1 Amb21970336 [1,0,1,0,0,0|1,0,1]=4 1663 B11R1.36 CN(C)C(=O)c1cccnc1 Amb3886597 [1,0,1,0,0,0|1,0,1]=4 1664 B11R1.36 CN(C)C(N)c1ccccc1 Amb19516165 [1,0,1,0,0,0|2,0,0]=4 1665 B11R1.36 C[C@@H](c1ccccc1)N(C)C Amb10807413 [1,0,1,0,0,0|1,0,0]=3 1666 B11R1.36 C[C@@H](c1ccccn1)N(C)C Amb25858370 [1,0,1,0,0,0|2,0,0]=4 1667 B11R1.36 C[C@H](c1ccccc1)N(C)C Amb8516299 [1,0,1,0,0,0|1,0,0]=3 1668 B11R1.199 C=CCC(=O)C1CCCN1C Amb35600322 [1,0,1,0,0,0|1,0,1]=4 1669 B11R1.180 CN1CCCC1C\C=C\C=O Amb33320706 [1,0,1,0,0,0|1,0,1]=4 1670 B11R1.180 CN1CCCC1\C=C\N=C=O Amb23571781 [1,0,1,0,0,0|1,0,1]=4 1671 B13R1.1 C#CCC(NC)c1ccc(C)nc1 Amb27766060 [0,1,1,0,0,0|0,0,2]=4 1672 B13R1.1 CCCC(NC)c1ccc(Br)cc1 Amb22042490 [0,1,1,0,0,0|1,0,0]=3 1673 B13R1.1 CCCC(NC)c1ccc(Br)cc1 Amb5716088 [0,1,1,0,0,0|1,0,0]=3 1674 B13R1.1 CCCC(NC)c1ccc(F)cc1 Amb5725113 [0,1,1,0,0,0|1,0,0]=3 1675 B13R1.1 CNC(CCO)c1ccc(Br)cc1 Amb18071616 [0,1,1,0,0,0|2,0,0]=4 1676 B13R1.1 CNC(CCO)c1ccc(C)cc1 Amb18065869 [0,1,1,0,0,0|2,0,0]=4 1677 B13R1.1 CNC(CCO)c1ccc(Cl)cc1 Amb18066520 [0,1,1,0,0,0|2,0,0]=4 1678 B13R1.1 CNC(CCO)c1ccc(F)cc1 Amb18066112 [0,1,1,0,0,0|2,0,0]=4 1679 B13R1.1 CNC(COC)c1ccc(Cl)cc1 Amb19018141 [0,1,1,0,0,0|2,0,0]=4 1680 B13R1.1 CNC(COC)c1ccc(F)cc1 Amb19018146 [0,1,1,0,0,0|2,0,0]=4 1681 B13R1.26 CC#CCC(NC)c1cccnc1 Amb18804165 [0,1,1,0,0,0|0,0,1]=3 1682 B13R1.26 CC#CCC(NC)c1cnccn1 Amb18183945 [0,1,1,0,0,0|1,0,1]=4 1683 B13R1.26 CCCCC(NC)c1ccccc1 Amb9341514 [0,1,1,0,0,0|1,0,0]=3 1684 B13R1.26 CCCCC(NC)c1cccnc1 Amb10607966 [0,1,1,0,0,0|0,0,0]=2 1685 B13R1.26 CCCCC(NC)c1cccnc1 Amb13949195 [0,1,1,0,0,0|0,0,0]=2 1686 B13R1.26 CCCNC(C#N)c1cccnc1 Amb7767309 [0,1,1,0,0,0|2,0,0]=4 1687 B13R1.26 CCCNC(CC)c1ccccc1 Amb9720276 [0,1,1,0,0,0|2,0,0]=4 1688 B13R1.26 CCC\N=C(\NC)c1ccccc1 Amb27253556 [0,1,1,0,0,0|1,0,1]=4 1689 B13R1.26 CCNCC(CC)c1ccccc1 Amb8841504 [0,1,1,0,0,0|2,0,0]=4 1690 B13R1.26 CNC(CCOC)c1ccccc1 Amb18178740 [0,1,1,0,0,0|1,0,0]=3 1691 B13R1.173 C#CCC(NC)c1cccnc1C Amb27431480 [0,1,1,0,0,0|0,0,2]=4 1692 B13R1.173 CNC(CSC)c1ccccc1Cl Amb19028865 [0,1,1,0,0,0|2,0,0]=4 1693 B13R1.398 CCOC(CNC)c1ccccc1 Amb17605900 [0,1,1,0,0,0|2,0,0]=4 1694 B13R1.405 CCNC(c1cccnc1)C(C)C Amb19003591 [0,1,1,0,0,0|2,0,0]=4 1695 B13R1.405 CN(C)C(CCCl)c1ccccc1 Amb24117903 [0,1,1,0,0,0|2,0,0]=4 1696 B13R1.405 CN(C)C(CCN)c1ccccc1 Amb19373168 [0,1,1,0,0,0|2,0,0]=4 1697 B13R1.405 CN(C)C(CCN)c1ccccc1 Amb5758724 [0,1,1,0,0,0|2,0,0]=4 1698 B13R1.405 CN(C)[C@@H](CCO)c1ccccc1 Amb8396891 [0,1,1,0,0,0|2,0,0]=4 1699 B13R1.405 CNCC(c1ccccc1)N(C)C Amb5785559 [0,1,1,0,0,0|2,0,0]=4 1700 B13R1.532 CNC(C(=O)OC)c1cccnc1 Amb19003411 [0,1,1,0,0,0|1,0,1]=4 1701 B13R1.713 CNC(CN(C)C)c1ccccc1 Amb10068793 [0,1,1,0,0,0|2,0,0]=4 1702 B13R1.713 CNC(CN(C)C)c1ccccc1 Amb3938896 [0,1,1,0,0,0|2,0,0]=4 1703 B13R1.6 CCCCCCc1cccc(Br)c1 Amb10808077 [0,1,1,0,0,0|2,0,0]=4 1704 B13R1.6 CCCCNCc1cncc(Br)c1 Amb22276865 [0,1,1,0,0,0|2,0,0]=4 1705 B13R1.6 CNCCC#Cc1cncc(C)c1 Amb35618198 [0,1,1,0,0,0|0,0,2]=4 1706 B13R1.6 CNCCC#Cc1cncc(F)c1 Amb30024595 [0,1,1,0,0,0|0,0,2]=4 1707 B13R1.6 CNCCCCc1cccc(Br)c1 Amb31157052 [0,1,1,0,0,0|1,0,0]=3 1708 B13R1.6 CNCCCCc1cccc(Br)c1 Amb33309544 [0,1,1,0,0,0|1,0,0]=3 1709 B13R1.6 CNCCCOc1cccc(Br)c1 Amb7798538 [0,1,1,0,0,0|2,0,0]=4 1710 B13R1.6 CNCCCOc1cccc(C)c1 Amb7760958 [0,1,1,0,0,0|2,0,0]=4 1711 B13R1.6 CNCCCOc1cccc(Cl)c1 Amb7798548 [0,1,1,0,0,0|2,0,0]=4 1712 B13R1.6 CNCCCOc1cccc(F)c1 Amb7798572 [0,1,1,0,0,0|2,0,0]=4 1713 B13R1.6 CNCCSCc1cccc(C)c1 Amb18324953 [0,1,1,0,0,0|2,0,0]=4 1714 B13R1.6 CNCCSCc1cccc(Cl)c1 Amb20224038 [0,1,1,0,0,0|2,0,0]=4 1715 B13R1.6 CNCCSCc1cccc(F)c1 Amb21984681 [0,1,1,0,0,0|2,0,0]=4 1716 B13R1.6 COCCNCc1cncc(Br)c1 Amb22276843 [0,1,1,0,0,0|2,0,0]=4 1717 B13R1.9 CCCCCCc1ccc(Br)cc1 Amb2722820 [0,1,1,0,0,0|2,0,0]=4 1718 B13R1.9 CCCCCCc1ccc(I)cc1 Amb22043588 [0,1,1,0,0,0|2,0,0]=4 1719 B13R1.9 CCCCCCc1ccc(N)cc1 Amb2720502 [0,1,1,0,0,0|2,0,0]=4 1720 B13R1.9 CCCCCNc1ccc(N)nc1 Amb7767750 [0,1,1,0,0,0|2,0,0]=4 1721 B13R1.9 CCCCCOc1ccc(Br)nc1 Amb33972575 [0,1,1,0,0,0|2,0,0]=4 1722 B13R1.9 CCCCCOc1ccc(N)nc1 Amb8902737 [0,1,1,0,0,0|2,0,0]=4 1723 B13R1.9 CNCCC#Cc1ccc(C)nc1 Amb35618192 [0,1,1,0,0,0|0,0,2]=4 1724 B13R1.9 CNCCC#Cc1ccc(Cl)nc1 Amb27179185 [0,1,1,0,0,0|0,0,2]=4 1725 B13R1.9 CNCCCCc1ccc(Br)cc1 Amb17106027 [0,1,1,0,0,0|1,0,0]=3 1726 B13R1.9 CNCCCCc1ccc(Cl)cc1 Amb17106026 [0,1,1,0,0,0|1,0,0]=3 1727 B13R1.9 CNCCCCc1ccc(F)cc1 Amb17106025 [0,1,1,0,0,0|1,0,0]=3 1728 B13R1.9 CNCCCOc1ccc(Br)cc1 Amb32651732 [0,1,1,0,0,0|2,0,0]=4 1729 B13R1.9 CNCCCOc1ccc(Br)cc1 Amb7798491 [0,1,1,0,0,0|2,0,0]=4 1730 B13R1.9 CNCCCOc1ccc(Br)cc1 Amb8597857 [0,1,1,0,0,0|2,0,0]=4 1731 B13R1.9 CNCCCOc1ccc(C)cc1 Amb7798164 [0,1,1,0,0,0|2,0,0]=4 1732 B13R1.9 CNCCCOc1ccc(Cl)cc1 Amb5562394 [0,1,1,0,0,0|2,0,0]=4 1733 B13R1.9 CNCCCOc1ccc(F)cc1 Amb7760952 [0,1,1,0,0,0|2,0,0]=4 1734 B13R1.9 CNCCCOc1ccc(F)cc1 Amb7969650 [0,1,1,0,0,0|2,0,0]=4 1735 B13R1.9 CNCCCSc1ccc(C)cc1 Amb22588088 [0,1,1,0,0,0|2,0,0]=4 1736 B13R1.9 CNCCSCc1ccc(C)cc1 Amb20224036 [0,1,1,0,0,0|2,0,0]=4 1737 B13R1.9 CNCCSCc1ccc(Cl)cc1 Amb20224039 [0,1,1,0,0,0|2,0,0]=4 1738 B13R1.9 CNCCSCc1ccc(F)cc1 Amb20224044 [0,1,1,0,0,0|2,0,0]=4 1739 B13R1.9 COCCCNc1ccc(N)nc1 Amb8843658 [0,1,1,0,0,0|2,0,0]=4 1740 B13R1.9 COCCCOc1ccc(Br)nc1 Amb33995152 [0,1,1,0,0,0|2,0,0]=4 1741 B13R1.9 COCCCOc1ccc(N)nc1 Amb18796581 [0,1,1,0,0,0|2,0,0]=4 1742 B13R1.9 COCCNCc1ccc(Cl)nc1 Amb21988401 [0,1,1,0,0,0|2,0,0]=4 1743 B13R1.24 CC#CCCC(O)c1cccnc1 Amb27601242 [0,1,1,0,0,0|1,0,1]=4 1744 B13R1.24 CCCCCC(=O)c1cccnc1 Amb18184182 [0,1,1,0,0,0|1,0,1]=4 1745 B13R1.24 CCCCCC(N)c1ccccc1 Amb7764725 [0,1,1,0,0,0|2,0,0]=4 1746 B13R1.24 CCCCCC(N)c1cccnc1 Amb18804829 [0,1,1,0,0,0|1,0,0]=3 1747 B13R1.24 CCCCCC(N)c1cccnc1 Amb35745644 [0,1,1,0,0,0|1,0,0]=3 1748 B13R1.24 CCCCCC(O)c1ccccc1 Amb9619574 [0,1,1,0,0,0|2,0,0]=4 1749 B13R1.24 CCCCCC(S)c1ccccc1 Amb32788166 [0,1,1,0,0,0|2,0,0]=4 1750 B13R1.24 CCCCNC(C)c1cccnc1 Amb6691020 [0,1,1,0,0,0|2,0,0]=4 1751 B13R1.24 COCCNC(C)c1cccnc1 Amb6685636 [0,1,1,0,0,0|2,0,0]=4 1752 B13R1.28 BrCCCCCCc1ccccc1 Amb2685411 [0,1,1,0,0,0|2,0,0]=4 1753 B13R1.28 CCCCCC#Cc1cccnc1 Amb27830198 [0,1,1,0,0,0|1,0,1]=4 1754 B13R1.28 CCCCCCCc1ccccc1 Amb8513456 [0,1,1,0,0,0|2,0,0]=4 1755 B13R1.28 CCCCCCCc1cccnc1 Amb22235253 [0,1,1,0,0,0|1,0,0]=3 1756 B13R1.28 CCCCCCNc1ccccc1 Amb597405 [0,1,1,0,0,0|2,0,0]=4 1757 B13R1.28 CCCCCCSc1cccnc1 Amb24085373 [0,1,1,0,0,0|1,0,0]=3 1758 B13R1.28 CCCCCNCc1ccccc1 Amb838091 [0,1,1,0,0,0|2,0,0]=4 1759 B13R1.28 CCCCCNCc1cccnc1 Amb6688087 [0,1,1,0,0,0|1,0,0]=3 1760 B13R1.28 CCCCCNCc1cncnc1 Amb18804943 [0,1,1,0,0,0|2,0,0]=4 1761 B13R1.28 CCCCC\C=C\c1cccnc1 Amb2613049 [0,1,1,0,0,0|1,0,1]=4 1762 B13R1.28 CCCCNCCc1ccccc1 Amb2172322 [0,1,1,0,0,0|2,0,0]=4 1763 B13R1.28 CCCCNCCc1ccccc1 Amb875620 [0,1,1,0,0,0|2,0,0]=4 1764 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [0,1,1,0,0,0|2,0,0]=4 1765 B13R1.28 CCCNCCCc1ccccc1 Amb20673529 [0,1,1,0,0,0|2,0,0]=4 1766 B13R1.28 CCCNCCCc1ccccc1 Amb6714447 [0,1,1,0,0,0|2,0,0]=4 1767 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [0,1,1,0,0,0|2,0,0]=4 1768 B13R1.28 CCNCC#CCc1cccnc1 Amb27619098 [0,1,1,0,0,0|0,0,2]=4 1769 B13R1.28 CCNCCC#Cc1cccnc1 Amb35659670 [0,1,1,0,0,0|0,0,2]=4 1770 B13R1.28 CCNCCCCc1ccccc1 Amb8853688 [0,1,1,0,0,0|1,0,0]=3 1771 B13R1.28 CCNCCCOc1ccccc1 Amb7760967 [0,1,1,0,0,0|2,0,0]=4 1772 B13R1.28 CCNCCNCc1cccnc1 Amb18184617 [0,1,1,0,0,0|1,0,0]=3 1773 B13R1.28 CCOCCNCc1cccnc1 Amb9241013 [0,1,1,0,0,0|2,0,0]=4 1774 B13R1.28 CNCCC#CCc1cccnc1 Amb35618196 [0,1,1,0,0,0|0,0,1]=3 1775 B13R1.28 CNCCCCOc1ccccc1 Amb17309029 [0,1,1,0,0,0|1,0,0]=3 1776 B13R1.28 CNCCCNCc1ccccn1 Amb5262459 [0,1,1,0,0,0|2,0,0]=4 1777 B13R1.28 CNCCCNCc1ccncc1 Amb22531665 [0,1,1,0,0,0|2,0,0]=4 1778 B13R1.28 CNCCCOCc1ccccc1 Amb18186412 [0,1,1,0,0,0|1,0,0]=3 1779 B13R1.28 COCCCNCc1ccccc1 Amb2172436 [0,1,1,0,0,0|2,0,0]=4 1780 B13R1.28 COCCCNCc1ccccc1 Amb838852 [0,1,1,0,0,0|2,0,0]=4 1781 B13R1.28 COCCCNCc1cccnc1 Amb875736 [0,1,1,0,0,0|1,0,0]=3 1782 B13R1.28 COCCCNCc1cncnc1 Amb18805302 [0,1,1,0,0,0|2,0,0]=4 1783 B13R1.28 COCCNCCc1ccccc1 Amb6685596 [0,1,1,0,0,0|2,0,0]=4 1784 B13R1.28 CONCCOCc1ccccc1 Amb27655349 [0,1,1,0,0,0|2,0,0]=4 1785 B13R1.28 CSCCCNCc1ccccc1 Amb6719949 [0,1,1,0,0,0|2,0,0]=4 1786 B13R1.28 CSCCCNCc1cccnc1 Amb6729954 [0,1,1,0,0,0|1,0,0]=3 1787 B13R1.28 ClCCCCCCc1cncnc1 Amb24070772 [0,1,1,0,0,0|2,0,0]=4 1788 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [0,1,1,0,0,0|2,0,0]=4 1789 B13R1.28 NNCCCOCc1ccccc1 Amb32668974 [0,1,1,0,0,0|2,0,0]=4 1790 B13R1.28 OCCCCCCc1ccccc1 Amb8515378 [0,1,1,0,0,0|2,0,0]=4 1791 B13R1.28 OCCCCCCc1cccnc1 Amb9805461 [0,1,1,0,0,0|1,0,0]=3 1792 B13R1.28 OCCCCNCc1cccnc1 Amb838401 [0,1,1,0,0,0|2,0,0]=4 1793 B13R1.42 CCCC(C)CNc1cccnc1 Amb6719794 [0,1,1,0,0,0|2,0,0]=4 1794 B13R1.42 CCCC(N)CCc1ccccc1 Amb9031789 [0,1,1,0,0,0|2,0,0]=4 1795 B13R1.42 CNCC(=O)NCc1cccnc1 Amb19134439 [0,1,1,0,0,0|1,0,1]=4 1796 B13R1.42 CNCC(=O)NCc1cccnc1 Amb6628765 [0,1,1,0,0,0|1,0,1]=4 1797 B13R1.42 CNCC(O)COc1ccccc1 Amb9741108 [0,1,1,0,0,0|2,0,0]=4 1798 B13R1.42 COCC(C)NCc1cccnc1 Amb6689551 [0,1,1,0,0,0|2,0,0]=4 1799 B13R1.42 N#CCC(O)CCc1cccnc1 Amb17233194 [0,1,1,0,0,0|2,0,0]=4 1800 B13R1.44 CCCCC(O)Cc1ccccc1 Amb4034774 [0,1,1,0,0,0|2,0,0]=4 1801 B13R1.44 CNCCC(=O)Nc1cccnc1 Amb18184496 [0,1,1,0,0,0|1,0,1]=4 1802 B13R1.44 CNCCC(=O)Nc1cccnc1 Amb22014620 [0,1,1,0,0,0|1,0,1]=4 1803 B13R1.44 CNCCN(C)Cc1ccccc1 Amb6715270 [0,1,1,0,0,0|2,0,0]=4 1804 B13R1.337 CC(=O)CCCCc1ccccc1 Amb8392140 [0,1,1,0,0,0|2,0,0]=4 1805 B13R1.337 CC(C)CCNCc1cccnc1 Amb2172489 [0,1,1,0,0,0|2,0,0]=4 1806 B13R1.337 CC(C)CCNCc1cccnc1 Amb875738 [0,1,1,0,0,0|2,0,0]=4 1807 B13R1.337 CC(O)CCNCc1cccnc1 Amb33496493 [0,1,1,0,0,0|2,0,0]=4 1808 B13R1.337 CN(C)CCNCc1ccccc1 Amb3938959 [0,1,1,0,0,0|2,0,0]=4 1809 B13R1.337 CN(C)CCNCc1cccnc1 Amb6356083 [0,1,1,0,0,0|1,0,0]=3 1810 B13R1.337 O=C(O)CCCCc1cccnc1 Amb18128434 [0,1,1,0,0,0|2,0,0]=4 1811 B13R1.555 CCCCCOc1cccnc1N Amb9208355 [0,1,1,0,0,0|2,0,0]=4 1812 B13R1.555 CCCCCOc1cnccc1N Amb33035700 [0,1,1,0,0,0|2,0,0]=4 1813 B13R1.555 CCCNCCc1cccnc1C Amb33040284 [0,1,1,0,0,0|2,0,0]=4 1814 B13R1.555 CNCCC#Cc1cnccc1C Amb35618193 [0,1,1,0,0,0|0,0,2]=4 1815 B13R1.555 CNCCCOc1ccccc1Br Amb22588052 [0,1,1,0,0,0|2,0,0]=4 1816 B13R1.555 CNCCCOc1ccccc1Br Amb7798222 [0,1,1,0,0,0|2,0,0]=4 1817 B13R1.555 CNCCCOc1ccccc1C Amb5562391 [0,1,1,0,0,0|2,0,0]=4 1818 B13R1.555 CNCCCOc1ccccc1Cl Amb5562393 [0,1,1,0,0,0|2,0,0]=4 1819 B13R1.555 CNCCCOc1ccccc1F Amb7798486 [0,1,1,0,0,0|2,0,0]=4 1820 B13R1.555 CNCCSCc1ccccc1C Amb18324952 [0,1,1,0,0,0|2,0,0]=4 1821 B13R1.555 CNCCSCc1ccccc1Cl Amb20224037 [0,1,1,0,0,0|2,0,0]=4 1822 B13R1.555 CNCCSCc1ccccc1F Amb20224043 [0,1,1,0,0,0|2,0,0]=4 1823 B13R1.555 COCCCCc1cccnc1N Amb28555947 [0,1,1,0,0,0|1,0,0]=3 1824 B13R1.555 COCCCOc1cnccc1N Amb33035350 [0,1,1,0,0,0|2,0,0]=4 1825 B13R1.718 CCC(C)CNCc1cccnc1 Amb6729960 [0,1,1,0,0,0|2,0,0]=4 1826 B13R1.718 CNC(=N)NCCc1cccnc1 Amb18804783 [0,1,1,0,0,0|1,0,1]=4 1827 B13R1.718 CNC(=O)CCCc1ccccc1 Amb3886751 [0,1,1,0,0,0|1,0,1]=4 1828 B13R1.718 CNC(=O)NCCc1cccnc1 Amb22584252 [0,1,1,0,0,0|1,0,1]=4 1829 B13R1.718 CNC(=S)NCCc1cccnc1 Amb27162668 [0,1,1,0,0,0|1,0,1]=4 1830 B13R1.718 CNC(C)CNCc1ccccc1 Amb18184455 [0,1,1,0,0,0|2,0,0]=4 1831 B13R1.718 COC(=O)CCCc1cccnc1 Amb24066737 [0,1,1,0,0,0|1,0,1]=4 1832 B13R1.19 C#CCN(C)Cc1ccc(Cl)nc1 Amb28320270 [0,1,1,0,0,0|0,0,2]=4 1833 B13R1.19 CCCC(C)Nc1ccc(Br)nc1 Amb27955649 [0,1,1,0,0,0|2,0,0]=4 1834 B13R1.19 CCCC(C)Nc1ccc(C)nc1 Amb24356361 [0,1,1,0,0,0|2,0,0]=4 1835 B13R1.19 CCCC(C)Nc1ccc(Cl)nc1 Amb26864292 [0,1,1,0,0,0|2,0,0]=4 1836 B13R1.19 CCCC(C)Oc1ccc(N)nc1 Amb33035333 [0,1,1,0,0,0|2,0,0]=4 1837 B13R1.19 CCCN(C)Cc1ccc(N)cc1 Amb8898577 [0,1,1,0,0,0|1,0,0]=3 1838 B13R1.19 CN(CCBr)Cc1ccc(F)cc1 Amb29848064 [0,1,1,0,0,0|2,0,0]=4 1839 B13R1.19 CN(CCCl)Cc1ccc(Cl)cc1 Amb17340956 [0,1,1,0,0,0|2,0,0]=4 1840 B13R1.19 CN(CCCl)Cc1ccc(F)cc1 Amb17337711 [0,1,1,0,0,0|2,0,0]=4 1841 B13R1.19 CN(CCCl)Cc1ccc(F)cc1 Amb32655987 [0,1,1,0,0,0|2,0,0]=4 1842 B13R1.19 CN(CCN)Cc1ccc(Br)cc1 Amb8956760 [0,1,1,0,0,0|2,0,0]=4 1843 B13R1.19 CN(CCN)Cc1ccc(Br)nc1 Amb21861831 [0,1,1,0,0,0|1,0,0]=3 1844 B13R1.19 CN(CCN)Cc1ccc(Cl)cc1 Amb8956774 [0,1,1,0,0,0|2,0,0]=4 1845 B13R1.19 CN(CCN)Cc1ccc(Cl)nc1 Amb18313613 [0,1,1,0,0,0|1,0,0]=3 1846 B13R1.19 CN(CCN)Cc1ccc(Cl)nn1 Amb21862222 [0,1,1,0,0,0|2,0,0]=4 1847 B13R1.19 CN(CCN)Cc1ccc(F)cc1 Amb8956766 [0,1,1,0,0,0|2,0,0]=4 1848 B13R1.19 CN(CCO)Cc1ccc(Br)cc1 Amb21861447 [0,1,1,0,0,0|2,0,0]=4 1849 B13R1.19 CN(CCO)Cc1ccc(Br)nc1 Amb21861808 [0,1,1,0,0,0|1,0,0]=3 1850 B13R1.19 CN(CCO)Cc1ccc(Cl)cc1 Amb17337500 [0,1,1,0,0,0|2,0,0]=4 1851 B13R1.19 CN(CCO)Cc1ccc(Cl)nc1 Amb19049026 [0,1,1,0,0,0|1,0,0]=3 1852 B13R1.19 CN(CCO)Cc1ccc(Cl)nn1 Amb21862218 [0,1,1,0,0,0|2,0,0]=4 1853 B13R1.19 CN(CCO)Cc1ccc(F)cc1 Amb17335625 [0,1,1,0,0,0|2,0,0]=4 1854 B13R1.19 CN(CCO)Cc1ccc(N)cc1 Amb9317745 [0,1,1,0,0,0|2,0,0]=4 1855 B13R1.19 Cc1ccc(CN(C)CC#N)cn1 Amb27206345 [0,1,1,0,0,0|1,0,1]=4 1856 B13R1.19 Cc1ccc(CN(C)CCCl)cc1 Amb17337266 [0,1,1,0,0,0|2,0,0]=4 1857 B13R1.19 Cc1ccc(CN(C)CCN)cc1 Amb6750082 [0,1,1,0,0,0|2,0,0]=4 1858 B13R1.19 Cc1ccc(CN(C)CCO)cc1 Amb9247377 [0,1,1,0,0,0|2,0,0]=4 1859 B13R1.20 C#CCN(C)Cc1cncc(Br)c1 Amb28455038 [0,1,1,0,0,0|0,0,2]=4 1860 B13R1.20 CCCC(C)Nc1cncc(Cl)c1 Amb35706793 [0,1,1,0,0,0|2,0,0]=4 1861 B13R1.20 CCCC(C)Nc1cncc(F)c1 Amb27791358 [0,1,1,0,0,0|2,0,0]=4 1862 B13R1.20 CCCN(C)Cc1cccc(N)c1 Amb8898493 [0,1,1,0,0,0|1,0,0]=3 1863 B13R1.20 CCCN(C)Cc1cncc(Br)c1 Amb22276871 [0,1,1,0,0,0|0,0,0]=2 1864 B13R1.20 CN(CC#N)Cc1cncc(Br)c1 Amb18660409 [0,1,1,0,0,0|1,0,1]=4 1865 B13R1.20 CN(CC#N)Cc1cncc(F)c1 Amb24353720 [0,1,1,0,0,0|1,0,1]=4 1866 B13R1.20 CN(CCN)Cc1cccc(Br)c1 Amb8956769 [0,1,1,0,0,0|2,0,0]=4 1867 B13R1.20 CN(CCN)Cc1cccc(Cl)c1 Amb8956773 [0,1,1,0,0,0|2,0,0]=4 1868 B13R1.20 CN(CCN)Cc1cccc(F)c1 Amb6750640 [0,1,1,0,0,0|2,0,0]=4 1869 B13R1.20 CN(CCO)Cc1cccc(Br)c1 Amb21861472 [0,1,1,0,0,0|2,0,0]=4 1870 B13R1.20 CN(CCO)Cc1cccc(Cl)c1 Amb18332679 [0,1,1,0,0,0|2,0,0]=4 1871 B13R1.20 CN(CCO)Cc1cccc(F)c1 Amb9247378 [0,1,1,0,0,0|2,0,0]=4 1872 B13R1.20 CN(CCO)Cc1cccc(N)c1 Amb17622147 [0,1,1,0,0,0|2,0,0]=4 1873 B13R1.20 CN(CCO)Cc1cccc(N)c1 Amb9317427 [0,1,1,0,0,0|2,0,0]=4 1874 B13R1.20 Cc1cccc(CN(C)CCCl)c1 Amb17337265 [0,1,1,0,0,0|2,0,0]=4 1875 B13R1.20 Cc1cccc(CN(C)CCN)c1 Amb8956765 [0,1,1,0,0,0|2,0,0]=4 1876 B13R1.20 Cc1cccc(CN(C)CCO)c1 Amb17335354 [0,1,1,0,0,0|2,0,0]=4 1877 B13R1.47 CC(c1ccccc1)N(C)CCCl Amb17337267 [0,1,1,0,0,0|2,0,0]=4 1878 B13R1.47 CC(c1ccccc1)N(C)CCN Amb17335265 [0,1,1,0,0,0|2,0,0]=4 1879 B13R1.47 CC(c1ccccc1)N(C)CCO Amb17335355 [0,1,1,0,0,0|2,0,0]=4 1880 B13R1.47 CC(c1cnccn1)N(C)CCN Amb21861919 [0,1,1,0,0,0|2,0,0]=4 1881 B13R1.47 CC(c1cnccn1)N(C)CCO Amb21861914 [0,1,1,0,0,0|2,0,0]=4 1882 B13R1.47 CN(CCN)C(=O)c1cccnc1 Amb17046837 [0,1,1,0,0,0|1,0,1]=4 1883 B13R1.47 CN(CCO)C(=O)c1cccnc1 Amb17138953 [0,1,1,0,0,0|1,0,1]=4 1884 B13R1.79 CCN(CCBr)Cc1ccccc1 Amb27414505 [0,1,1,0,0,0|2,0,0]=4 1885 B13R1.79 CCN(CCN)Cc1ccccc1 Amb5782019 [0,1,1,0,0,0|2,0,0]=4 1886 B13R1.79 CON(CCF)Cc1ccccc1 Amb27452233 [0,1,1,0,0,0|2,0,0]=4 1887 B13R1.135 CC(CN)N(C)Cc1ccccc1 Amb5357917 [0,1,1,0,0,0|2,0,0]=4 1888 B13R1.135 CCC(=O)N(C)Cc1ccccc1 Amb3886753 [0,1,1,0,0,0|1,0,1]=4 1889 B13R1.135 CCC(C)N(C)Cc1ccccc1 Amb28062153 [0,1,1,0,0,0|1,0,0]=3 1890 B13R1.135 CN(Cc1cccnc1)C(=O)CBr Amb17326484 [0,1,1,0,0,0|1,0,1]=4 1891 B13R1.135 CN(Cc1cccnc1)C(=O)CCl Amb9426352 [0,1,1,0,0,0|1,0,1]=4 1892 B13R1.135 CN(Cc1cccnc1)C(=O)CN Amb13952350 [0,1,1,0,0,0|1,0,1]=4 1893 B13R1.135 CN(Cc1cccnc1)C(=O)CN Amb9426515 [0,1,1,0,0,0|1,0,1]=4 1894 B13R1.135 CNC(=S)N(C)Cc1cccnc1 Amb28042787 [0,1,1,0,0,0|1,0,1]=4 1895 B13R1.348 CC(=O)CN(C)Cc1ccccc1 Amb18808988 [0,1,1,0,0,0|1,0,1]=4 1896 B13R1.348 CC(C)CN(C)Cc1ccccc1 Amb17233316 [0,1,1,0,0,0|1,0,0]=3 1897 B13R1.348 CC(Cl)CN(C)Cc1ccccc1 Amb28454254 [0,1,1,0,0,0|1,0,0]=3 1898 B13R1.348 CC(N)CN(C)Cc1ccccc1 Amb6662139 [0,1,1,0,0,0|1,0,0]=3 1899 B13R1.348 CC(O)CN(C)Cc1ccccc1 Amb17138921 [0,1,1,0,0,0|1,0,0]=3 1900 B13R1.348 CC(O)CN(C)Cc1ccccn1 Amb17335441 [0,1,1,0,0,0|2,0,0]=4 1901 B13R1.348 CC(O)CN(C)Cc1cccnc1 Amb17335442 [0,1,1,0,0,0|0,0,0]=2 1902 B13R1.348 CC(O)CN(C)Cc1ccncc1 Amb17335443 [0,1,1,0,0,0|2,0,0]=4 1903 B13R1.348 CN(CC(=O)O)Cc1cccnc1 Amb21955498 [0,1,1,0,0,0|1,0,1]=4 1904 B13R1.348 CN(CC(=O)O)Cc1cccnc1 Amb2721930 [0,1,1,0,0,0|1,0,1]=4 1905 B13R1.348 CN(Cc1ccccc1)CC(Cl)Cl Amb28205920 [0,1,1,0,0,0|2,0,0]=4 1906 B13R1.348 CN(Cc1ccccc1)CC(F)F Amb24463182 [0,1,1,0,0,0|2,0,0]=4 1907 B13R1.348 C[C@@H](N)CN(C)Cc1ccccc1 Amb18527668 [0,1,1,0,0,0|1,0,0]=3 1908 B13R1.348 C\C(=C\c1cccnc1)CC(C)N Amb27631413 [0,1,1,0,0,0|1,0,1]=4 1909 B13R1.470 C#CCN(C)Cc1cccnc1C Amb28253188 [0,1,1,0,0,0|0,0,2]=4 1910 B13R1.470 CCCC(C)Nc1cccnc1C Amb26322109 [0,1,1,0,0,0|2,0,0]=4 1911 B13R1.470 CCCC(C)Nc1cccnc1F Amb35725103 [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.470 CCCC(C)Nc1cccnc1N Amb28280251 [0,1,1,0,0,0|2,0,0]=4 1913 B13R1.470 CCCC(C)Nc1cnccc1C Amb27873694 [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.470 CCCC(C)Oc1cnccc1N Amb33035533 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.470 CN(CC#N)Cc1cccnc1N Amb28453859 [0,1,1,0,0,0|1,0,1]=4 1916 B13R1.470 CN(CC#N)Cc1cnccc1Cl Amb28349849 [0,1,1,0,0,0|1,0,1]=4 1917 B13R1.470 CN(CCCl)Cc1ccccc1Cl Amb17340955 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.470 CN(CCCl)Cc1ccccc1F Amb17337710 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.470 CN(CCN)Cc1ccccc1Br Amb8956787 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.470 CN(CCN)Cc1ccccc1Cl Amb8956757 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.470 CN(CCN)Cc1ccccc1F Amb8956777 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.470 CN(CCN)Cc1ccccc1I Amb21861544 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.470 CN(CCN)Cc1nccnc1Cl Amb21861909 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.470 CN(CCO)Cc1ccccc1Br Amb21861545 [0,1,1,0,0,0|2,0,0]=4 1925 B13R1.470 CN(CCO)Cc1ccccc1Cl Amb17337499 [0,1,1,0,0,0|2,0,0]=4 1926 B13R1.470 CN(CCO)Cc1ccccc1F Amb17335624 [0,1,1,0,0,0|2,0,0]=4 1927 B13R1.470 CN(CCO)Cc1ccccc1I Amb21861546 [0,1,1,0,0,0|2,0,0]=4 1928 B13R1.470 CN(CCO)Cc1ccccc1N Amb9318062 [0,1,1,0,0,0|2,0,0]=4 1929 B13R1.470 CN(CCO)Cc1nccnc1Cl Amb21861906 [0,1,1,0,0,0|2,0,0]=4 1930 B13R1.470 Cc1ccccc1CN(C)CCCl Amb17337264 [0,1,1,0,0,0|2,0,0]=4 1931 B13R1.470 Cc1ccccc1CN(C)CCN Amb8956762 [0,1,1,0,0,0|2,0,0]=4 1932 B13R1.470 Cc1ccccc1CN(C)CCO Amb17335353 [0,1,1,0,0,0|2,0,0]=4 1933 B13R1.470 Cc1ccncc1CN(C)CC#N Amb27761334 [0,1,1,0,0,0|1,0,1]=4 1934 B13R1.1327 CCCC(C)(C)Nc1cccnc1 Amb27782941 [0,1,1,0,0,0|2,0,0]=4 1935 B13R1.1327 CNCC(C)(O)Cc1cccnc1 Amb17082166 [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.21 CCC(C)C(N)c1ccc(Br)nc1 Amb28196680 [0,1,1,0,0,0|2,0,0]=4 1937 B13R1.21 CCC(C)[C@H](N)c1ccc(Br)nc1 Amb27789940 [0,1,1,0,0,0|2,0,0]=4 1938 B13R1.21 CCN(C)C(=O)c1ccc(Cl)nc1 Amb8873941 [0,1,1,0,0,0|1,0,1]=4 1939 B13R1.21 CCN(C)C(C)c1ccc(I)cc1 Amb27757050 [0,1,1,0,0,0|1,0,0]=3 1940 B13R1.21 CCN(C)C(C)c1ccc(O)cc1 Amb27449769 [0,1,1,0,0,0|1,0,0]=3 1941 B13R1.22 CCC(C)C(N)c1cncc(C)c1 Amb27477348 [0,1,1,0,0,0|2,0,0]=4 1942 B13R1.22 CCC(C)C(N)c1cncc(F)c1 Amb27667506 [0,1,1,0,0,0|2,0,0]=4 1943 B13R1.22 CCC(C)C(O)c1cncc(Cl)c1 Amb28457311 [0,1,1,0,0,0|2,0,0]=4 1944 B13R1.22 CCC(C)[C@@H](N)c1cncc(Br)c1 Amb27626926 [0,1,1,0,0,0|2,0,0]=4 1945 B13R1.22 CCN(C)C(=O)c1cncc(I)c1 Amb28249461 [0,1,1,0,0,0|1,0,1]=4 1946 B13R1.22 CCN(C)C(C)c1cccc(Br)c1 Amb27665161 [0,1,1,0,0,0|1,0,0]=3 1947 B13R1.22 CCN(C)C(C)c1cccc(C)c1 Amb28282359 [0,1,1,0,0,0|1,0,0]=3 1948 B13R1.22 CCN(C)C(C)c1cccc(Cl)c1 Amb28064779 [0,1,1,0,0,0|1,0,0]=3 1949 B13R1.22 CCN(C)C(C)c1cccc(O)c1 Amb28314839 [0,1,1,0,0,0|1,0,0]=3 1950 B13R1.22 CCN(C)C(C)c1ccnc(Cl)c1 Amb28127512 [0,1,1,0,0,0|2,0,0]=4 1951 B13R1.86 CCC(CN)C(O)c1cccnc1 Amb32693638 [0,1,1,0,0,0|2,0,0]=4 1952 B13R1.86 CCN(CC)C(=O)c1cccnc1 Amb3583996 [0,1,1,0,0,0|1,0,1]=4 1953 B13R1.152 CC(=O)N(C)C(C)c1cccnc1 Amb27207585 [0,1,1,0,0,0|0,0,1]=3 1954 B13R1.152 CC(C)C(C)C(O)c1cccnc1 Amb28397540 [0,1,1,0,0,0|2,0,0]=4 1955 B13R1.152 CC(N)C(C)C(O)c1cccnc1 Amb35621666 [0,1,1,0,0,0|2,0,0]=4 1956 B13R1.263 CCC(C)(C)C(N)c1cccnc1 Amb28401319 [0,1,1,0,0,0|2,0,0]=4 1957 B13R1.263 CCC(C)(N)C(O)c1cccnc1 Amb35587017 [0,1,1,0,0,0|2,0,0]=4 1958 B13R1.696 CCC(C)C(N)c1cccnc1Br Amb28384626 [0,1,1,0,0,0|2,0,0]=4 1959 B13R1.696 CCC(C)C(N)c1cccnc1Cl Amb27204877 [0,1,1,0,0,0|2,0,0]=4 1960 B13R1.696 CCC(C)C(O)c1cccnc1Br Amb35702787 [0,1,1,0,0,0|2,0,0]=4 1961 B13R1.696 CCC(C)C(O)c1cccnc1C Amb27174843 [0,1,1,0,0,0|2,0,0]=4 1962 B13R1.696 CCC(C)C(O)c1cccnc1N Amb28256224 [0,1,1,0,0,0|2,0,0]=4 1963 B13R1.696 CCC(C)C(O)c1cnccc1N Amb28045338 [0,1,1,0,0,0|2,0,0]=4 1964 B13R1.696 CCC(C)[C@@H](N)c1cccnc1Cl Amb27233948 [0,1,1,0,0,0|2,0,0]=4 1965 B13R1.696 CCC(C)[C@H](N)c1cccnc1F Amb28384618 [0,1,1,0,0,0|2,0,0]=4 1966 B13R1.696 CCN(C)C(=O)c1cccnc1C Amb27456347 [0,1,1,0,0,0|1,0,1]=4 1967 B13R1.696 CCN(C)C(=O)c1cccnc1Cl Amb8873972 [0,1,1,0,0,0|1,0,1]=4 1968 B13R1.696 CCN(C)C(=O)c1cccnc1F Amb27659611 [0,1,1,0,0,0|1,0,1]=4 1969 B13R1.696 CCN(C)C(=O)c1cnccc1C Amb27764667 [0,1,1,0,0,0|1,0,1]=4 1970 B13R1.696 CCN(C)C(=O)c1cnccc1N Amb27608857 [0,1,1,0,0,0|1,0,1]=4 1971 B13R1.708 CCC(C)C(C)(N)c1cncnc1 Amb18298861 [0,1,1,0,0,0|2,0,0]=4 1972 B13R1.708 CCC(C)C(C)(O)c1cncnc1 Amb18186682 [0,1,1,0,0,0|2,0,0]=4 1973 B13R1.708 CCC(O)C(C)(O)c1cccnc1 Amb27617828 [0,1,1,0,0,0|2,0,0]=4 1974 B13R1.708 COC(C)C(C)(O)c1cccnc1 Amb28077579 [0,1,1,0,0,0|2,0,0]=4 1975 B13R1.706 CCC(c1ccc(F)cc1)N(C)C Amb27652598 [0,1,1,0,0,0|1,0,0]=3 1976 B13R1.706 CCC(c1ccc(N)cc1)C(C)C Amb27862597 [0,1,1,0,0,0|2,0,0]=4 1977 B13R1.706 CCC(c1ccc(N)cc1)N(C)C Amb17090424 [0,1,1,0,0,0|1,0,0]=3 1978 B13R1.706 CN(C)C(CCl)c1ccc(Br)cc1 Amb17269802 [0,1,1,0,0,0|2,0,0]=4 1979 B13R1.706 CN(C)C(CCl)c1ccc(Cl)cc1 Amb17243006 [0,1,1,0,0,0|2,0,0]=4 1980 B13R1.706 CN(C)C(CCl)c1ccc(F)cc1 Amb17237394 [0,1,1,0,0,0|2,0,0]=4 1981 B13R1.706 CN(C)C(CN)c1ccc(Br)cc1 Amb9710782 [0,1,1,0,0,0|2,0,0]=4 1982 B13R1.706 CN(C)C(CN)c1ccc(Cl)cc1 Amb9710962 [0,1,1,0,0,0|2,0,0]=4 1983 B13R1.706 CN(C)C(CN)c1ccc(F)cc1 Amb9708617 [0,1,1,0,0,0|2,0,0]=4 1984 B13R1.706 CN(C)C(CN)c1ccc(N)cc1 Amb31128865 [0,1,1,0,0,0|2,0,0]=4 1985 B13R1.706 CN(C)C(CN)c1ccc(O)cc1 Amb1124705 [0,1,1,0,0,0|2,0,0]=4 1986 B13R1.706 CN(C)C(CO)c1ccc(Br)cc1 Amb17256961 [0,1,1,0,0,0|2,0,0]=4 1987 B13R1.706 CN(C)C(CO)c1ccc(Cl)cc1 Amb17237039 [0,1,1,0,0,0|2,0,0]=4 1988 B13R1.706 CN(C)C(CO)c1ccc(F)cc1 Amb17233989 [0,1,1,0,0,0|2,0,0]=4 1989 B13R1.706 CNC(c1ccc(C)nc1)C(C)C Amb27211633 [0,1,1,0,0,0|2,0,0]=4 1990 B13R1.706 Cc1ccc(C(CCl)N(C)C)cc1 Amb17236680 [0,1,1,0,0,0|2,0,0]=4 1991 B13R1.706 Cc1ccc(C(CN)N(C)C)cc1 Amb2589624 [0,1,1,0,0,0|2,0,0]=4 1992 B13R1.706 Cc1ccc(C(CO)N(C)C)cc1 Amb17233570 [0,1,1,0,0,0|2,0,0]=4 1993 B13R1.716 CCC(c1cccc(N)c1)N(C)C Amb17090340 [0,1,1,0,0,0|1,0,0]=3 1994 B13R1.716 CCN(c1cncc(Br)c1)C(C)C Amb26975802 [0,1,1,0,0,0|2,0,0]=4 1995 B13R1.716 CN(C)C(CCl)c1cccc(Br)c1 Amb17269801 [0,1,1,0,0,0|2,0,0]=4 1996 B13R1.716 CN(C)C(CCl)c1cccc(Cl)c1 Amb17243005 [0,1,1,0,0,0|2,0,0]=4 1997 B13R1.716 CN(C)C(CN)c1cccc(Br)c1 Amb1124113 [0,1,1,0,0,0|2,0,0]=4 1998 B13R1.716 CN(C)C(CN)c1cccc(Cl)c1 Amb10808606 [0,1,1,0,0,0|2,0,0]=4 1999 B13R1.716 CN(C)C(CN)c1cccc(Cl)c1 Amb1136317 [0,1,1,0,0,0|2,0,0]=4 2000 B13R1.716 CN(C)C(CN)c1cccc(F)c1 Amb434144 [0,1,1,0,0,0|2,0,0]=4 2001 B13R1.716 CN(C)C(CN)c1cccc(I)c1 Amb27637820 [0,1,1,0,0,0|2,0,0]=4 2002 B13R1.716 CN(C)C(CN)c1cccc(N)c1 Amb31128864 [0,1,1,0,0,0|2,0,0]=4 2003 B13R1.716 CN(C)C(CN)c1cccc(O)c1 Amb1137893 [0,1,1,0,0,0|2,0,0]=4 2004 B13R1.716 CN(C)C(CO)c1cccc(Br)c1 Amb17256957 [0,1,1,0,0,0|2,0,0]=4 2005 B13R1.716 CN(C)C(CO)c1cccc(Cl)c1 Amb17237035 [0,1,1,0,0,0|2,0,0]=4 2006 B13R1.716 CN(C)C(CO)c1cccc(F)c1 Amb23442892 [0,1,1,0,0,0|2,0,0]=4 2007 B13R1.716 CNC(c1cncc(Br)c1)C(C)C Amb27480436 [0,1,1,0,0,0|2,0,0]=4 2008 B13R1.716 Cc1cccc(C(CCl)N(C)C)c1 Amb17236679 [0,1,1,0,0,0|2,0,0]=4 2009 B13R1.716 Cc1cccc(C(CN)N(C)C)c1 Amb1138716 [0,1,1,0,0,0|2,0,0]=4 2010 B13R1.716 Cc1cccc(C(CN)N(C)C)c1 Amb17622076 [0,1,1,0,0,0|2,0,0]=4 2011 B13R1.716 Cc1cccc(C(CO)N(C)C)c1 Amb17233566 [0,1,1,0,0,0|2,0,0]=4 2012 B13R1.719 CC(C)(C)C(CN)c1cccnc1 Amb24450170 [0,1,1,0,0,0|2,0,0]=4 2013 B13R1.720 CCC(c1ccccc1O)C(C)C Amb28122403 [0,1,1,0,0,0|2,0,0]=4 2014 B13R1.720 CN(C)C(CCl)c1ccccc1Cl Amb17243004 [0,1,1,0,0,0|2,0,0]=4 2015 B13R1.720 CN(C)C(CCl)c1ccccc1F Amb17237393 [0,1,1,0,0,0|2,0,0]=4 2016 B13R1.720 CN(C)C(CN)c1ccccc1Br Amb6257769 [0,1,1,0,0,0|2,0,0]=4 2017 B13R1.720 CN(C)C(CN)c1ccccc1Cl Amb1212227 [0,1,1,0,0,0|2,0,0]=4 2018 B13R1.720 CN(C)C(CN)c1ccccc1Cl Amb30647469 [0,1,1,0,0,0|2,0,0]=4 2019 B13R1.720 CN(C)C(CN)c1ccccc1Cl Amb31195024 [0,1,1,0,0,0|2,0,0]=4 2020 B13R1.720 CN(C)C(CN)c1ccccc1F Amb9714821 [0,1,1,0,0,0|2,0,0]=4 2021 B13R1.720 CN(C)C(CN)c1ccccc1O Amb25674645 [0,1,1,0,0,0|2,0,0]=4 2022 B13R1.720 CN(C)C(CO)c1ccccc1Br Amb24123024 [0,1,1,0,0,0|2,0,0]=4 2023 B13R1.720 CN(C)C(CO)c1ccccc1Cl Amb17237031 [0,1,1,0,0,0|2,0,0]=4 2024 B13R1.720 CN(C)C(CO)c1ccccc1F Amb17233985 [0,1,1,0,0,0|2,0,0]=4 2025 B13R1.720 CNC(c1cccnc1N)C(C)C Amb27215872 [0,1,1,0,0,0|2,0,0]=4 2026 B13R1.720 Cc1ccccc1C(CCl)N(C)C Amb17236678 [0,1,1,0,0,0|2,0,0]=4 2027 B13R1.720 Cc1ccccc1C(CN)N(C)C Amb1138882 [0,1,1,0,0,0|2,0,0]=4 2028 B13R1.720 Cc1ccccc1C(CO)N(C)C Amb17233562 [0,1,1,0,0,0|2,0,0]=4 2029 B13R1.1111 CC(C)C(c1ccccc1)C(C)N Amb25378291 [0,1,1,0,0,0|2,0,0]=4 2030 B13R1.1111 CC(C)C(c1ccccc1)[C@@H](C)N Amb33175267 [0,1,1,0,0,0|2,0,0]=4 2031 B13R1.1111 CC(C)C(c1ccccc1)[C@@H](C)O Amb33175274 [0,1,1,0,0,0|2,0,0]=4 2032 B13R1.1111 CC(C)C(c1ccccc1)[C@H](C)N Amb33175271 [0,1,1,0,0,0|2,0,0]=4 2033 B13R1.1111 CC(C)C(c1ccccc1)[C@H](C)O Amb33175277 [0,1,1,0,0,0|2,0,0]=4 2034 B13R1.1111 CC(N)C(c1ccccc1)N(C)C Amb33539163 [0,1,1,0,0,0|1,0,0]=3 2035 B13R1.1111 CN(C)C(C(=O)O)c1cccnc1 Amb9669830 [0,1,1,0,0,0|1,0,1]=4 2036 B13R1.1111 CN(C)C(C(N)=O)c1cccnc1 Amb17335332 [0,1,1,0,0,0|1,0,1]=4 2037 B13R1.1111 CN(C)C(C(N)=S)c1cccnc1 Amb5756873 [0,1,1,0,0,0|1,0,1]=4 2038 B13R1.1111 CN(C)C(c1ccccc1)N(C)C Amb2371742 [0,1,1,0,0,0|2,0,0]=4 2039 B13R1.1111 C[C@@H](N)[C@@H](c1ccccc1)N(C)C Amb28366052 [0,1,1,0,0,0|1,0,0]=3 2040 B13R1.1111 C[C@@H](O)[C@H](c1ccccc1)N(C)C Amb27456733 [0,1,1,0,0,0|1,0,0]=3 2041 B13R1.3085 CC(C)C(C)(CN)c1cccnc1 Amb26500595 [0,1,1,0,0,0|2,0,0]=4 2042 B13R1.3085 CC(C)C(O)(CN)c1cccnc1 Amb26332828 [0,1,1,0,0,0|2,0,0]=4 2043 B13R1.3085 CCC(N)(c1cncnc1)C(C)C Amb18298953 [0,1,1,0,0,0|2,0,0]=4 2044 B13R1.3085 CCC(O)(c1ccccc1)C(C)C Amb18180846 [0,1,1,0,0,0|2,0,0]=4 2045 B13R1.3085 CCC(O)(c1cncnc1)C(C)C Amb18186683 [0,1,1,0,0,0|2,0,0]=4 2046 B13R1.3085 CN(C)C(C)(C#N)c1cccnc1 Amb17400508 [0,1,1,0,0,0|1,0,1]=4 2047 B13R1.3085 CN(C)C(C)(CN)c1ccccc1 Amb3964990 [0,1,1,0,0,0|2,0,0]=4 2048 B13R2.10 BrC1CCC(c2ccccc2)C1 Amb28123862 [1,1,0,0,0,0|2,0,0]=4 2049 B13R2.10 CC1CN=C(c2cccnc2)C1 Amb28410743 [1,1,0,0,0,0|0,0,2]=4 2050 B13R2.10 CC1CNC(c2ccccc2)C1 Amb32652669 [1,1,0,0,0,0|1,0,0]=3 2051 B13R2.10 CC1CNC(c2ccccc2)C1 Amb33546403 [1,1,0,0,0,0|1,0,0]=3 2052 B13R2.10 CC1CNC(c2cccnc2)C1 Amb3788166 [1,1,0,0,0,0|0,0,0]=2 2053 B13R2.10 CC1CNC(c2cccnc2)S1 Amb28381387 [1,1,0,0,0,0|1,0,0]=3 2054 B13R2.10 CC1CNC(c2cnccn2)S1 Amb35601002 [1,1,0,0,0,0|2,0,0]=4 2055 B13R2.10 CC1CNC(c2cncnc2)S1 Amb28194012 [1,1,0,0,0,0|2,0,0]=4 2056 B13R2.10 CC1CSC(c2cccnc2)N1 Amb27249277 [1,1,0,0,0,0|1,0,0]=3 2057 B13R2.10 CC1CSC(c2cnccn2)N1 Amb35601004 [1,1,0,0,0,0|2,0,0]=4 2058 B13R2.10 CC1CSC(c2cncnc2)N1 Amb27645594 [1,1,0,0,0,0|2,0,0]=4 2059 B13R2.10 CC1NC(c2ccccc2)CO1 Amb27790805 [1,1,0,0,0,0|2,0,0]=4 2060 B13R2.10 CN1CCC(c2cccnc2)C1 Amb17616208 [1,1,0,0,0,0|2,0,0]=4 2061 B13R2.10 CN1CNC(c2ccccc2)C1 Amb18645727 [1,1,0,0,0,0|2,0,0]=4 2062 B13R2.10 C[C@@H]1CCC(c2ccccc2)N1 Amb30633699 [1,1,0,0,0,0|1,0,0]=3 2063 B13R2.10 C[C@@H]1CC[C@H](c2ccccc2)N1 Amb28135456 [1,1,0,0,0,0|1,0,0]=3 2064 B13R2.10 C[C@@H]1CN[C@H](c2ccccc2)C1 Amb27844321 [1,1,0,0,0,0|1,0,0]=3 2065 B13R2.10 C[C@H]1CCC(c2ccccc2)N1 Amb33801332 [1,1,0,0,0,0|1,0,0]=3 2066 B13R2.10 C[C@H]1CC[C@H](c2ccccc2)N1 Amb27631396 [1,1,0,0,0,0|1,0,0]=3 2067 B13R2.10 C[C@H]1CNC(c2ccccc2)C1 Amb27632407 [1,1,0,0,0,0|1,0,0]=3 2068 B13R2.10 C[C@H]1CN[C@@H](c2ccccc2)C1 Amb18829883 [1,1,0,0,0,0|1,0,0]=3 2069 B13R2.10 C[C@H]1CN[C@@H](c2ccccn2)C1 Amb18829580 [1,1,0,0,0,0|2,0,0]=4 2070 B13R2.10 C[C@H]1CN[C@@H](c2cccnc2)C1 Amb18829579 [1,1,0,0,0,0|0,0,0]=2 2071 B13R2.10 C[C@H]1CN[C@@H](c2ccncc2)C1 Amb18829581 [1,1,0,0,0,0|2,0,0]=4 2072 B13R2.10 C[C@H]1CO[C@@H](c2ccccc2)N1 Amb28399456 [1,1,0,0,0,0|2,0,0]=4 2073 B13R2.10 ClC1C=C(c2cccnc2)CC1 Amb28059039 [1,1,0,0,0,0|1,0,1]=4 2074 B13R2.10 ClC1CCC(c2cccnc2)C1 Amb27595146 [1,1,0,0,0,0|1,0,0]=3 2075 B13R2.10 ClC1CCC(c2cncnc2)C1 Amb28207771 [1,1,0,0,0,0|2,0,0]=4 2076 B13R2.10 ClC1COC(c2ccccc2)C1 Amb27770148 [1,1,0,0,0,0|2,0,0]=4 2077 B13R2.10 Cl[C@@H]1CO[C@@H](c2ccccc2)C1 Amb27478037 [1,1,0,0,0,0|2,0,0]=4 2078 B13R2.10 Cl[C@@H]1CO[C@H](c2ccccc2)C1 Amb28458554 [1,1,0,0,0,0|2,0,0]=4 2079 B13R2.10 FC1CCC(c2ccccc2)C1 Amb27163345 [1,1,0,0,0,0|2,0,0]=4 2080 B13R2.10 FC1CNC(c2ccccc2)C1 Amb25045554 [1,1,0,0,0,0|1,0,0]=3 2081 B13R2.10 FC1CNC(c2ccccc2)C1 Amb35750585 [1,1,0,0,0,0|1,0,0]=3 2082 B13R2.10 NC1C=C(c2cccnc2)CC1 Amb27836871 [1,1,0,0,0,0|1,0,1]=4 2083 B13R2.10 NC1CCC(c2ccccc2)C1 Amb17400101 [1,1,0,0,0,0|2,0,0]=4 2084 B13R2.10 NC1CCC(c2ccccc2)C1 Amb28555798 [1,1,0,0,0,0|2,0,0]=4 2085 B13R2.10 NC1CCN(c2cccnc2)C1 Amb33528260 [1,1,0,0,0,0|2,0,0]=4 2086 B13R2.10 NC1CCN(c2cccnc2)C1 Amb33534074 [1,1,0,0,0,0|2,0,0]=4 2087 B13R2.10 NC1COC(c2cccnc2)C1 Amb29866232 [1,1,0,0,0,0|1,0,0]=3 2088 B13R2.10 NC1COC(c2cnccn2)C1 Amb35602928 [1,1,0,0,0,0|2,0,0]=4 2089 B13R2.10 NC1COC(c2cncnc2)C1 Amb35700246 [1,1,0,0,0,0|2,0,0]=4 2090 B13R2.10 NN1CCC(c2cccnc2)C1 Amb25915150 [1,1,0,0,0,0|2,0,0]=4 2091 B13R2.10 N[C@@H]1CCN(c2cccnc2)C1 Amb25059118 [1,1,0,0,0,0|2,0,0]=4 2092 B13R2.10 N[C@@H]1CC[C@H](c2ccccc2)C1 Amb26394038 [1,1,0,0,0,0|2,0,0]=4 2093 B13R2.10 N[C@H]1CC[C@@H](c2ccccc2)C1 Amb27660989 [1,1,0,0,0,0|2,0,0]=4 2094 B13R2.10 N[C@H]1CC[C@@H](c2ccccc2)C1 Amb32663166 [1,1,0,0,0,0|2,0,0]=4 2095 B13R2.10 N[C@H]1CC[C@H](c2ccccc2)C1 Amb27449247 [1,1,0,0,0,0|2,0,0]=4 2096 B13R2.10 O=C1CC(c2cccnc2)NN1 Amb29862363 [1,1,0,0,0,0|1,0,1]=4 2097 B13R2.10 O=C1CCC(c2ccccc2)N1 Amb17470413 [1,1,0,0,0,0|1,0,1]=4 2098 B13R2.10 O=C1CCC(c2cccnc2)C1 Amb17138527 [1,1,0,0,0,0|1,0,1]=4 2099 B13R2.10 O=C1CC[C@@H](c2ccccc2)N1 Amb27242426 [1,1,0,0,0,0|1,0,1]=4 2100 B13R2.10 O=C1CC[C@@H](c2cccnc2)N1 Amb27389343 [1,1,0,0,0,0|0,0,1]=3 2101 B13R2.10 O=C1CC[C@H](c2ccccc2)N1 Amb27227911 [1,1,0,0,0,0|1,0,1]=4 2102 B13R2.10 O=C1COC(c2cccnc2)C1 Amb29866228 [1,1,0,0,0,0|1,0,1]=4 2103 B13R2.10 O=C1CSC(c2cccnc2)N1 Amb28198858 [1,1,0,0,0,0|1,0,1]=4 2104 B13R2.10 O=C1NC(c2cccnc2)CO1 Amb26970930 [1,1,0,0,0,0|1,0,1]=4 2105 B13R2.10 O=C1NCC(c2cccnc2)N1 Amb24346599 [1,1,0,0,0,0|1,0,1]=4 2106 B13R2.10 O=C1NC[C@H](c2cccnc2)N1 Amb27449804 [1,1,0,0,0,0|1,0,1]=4 2107 B13R2.10 O=C1N[C@H](c2cccnc2)CO1 Amb27389439 [1,1,0,0,0,0|1,0,1]=4 2108 B13R2.10 OC1C=C(c2cccnc2)CC1 Amb27858248 [1,1,0,0,0,0|1,0,1]=4 2109 B13R2.10 OC1C=CC(c2cccnc2)C1 Amb28185177 [1,1,0,0,0,0|1,0,1]=4 2110 B13R2.10 OC1CCC(c2ccccc2)C1 Amb17400115 [1,1,0,0,0,0|2,0,0]=4 2111 B13R2.10 OC1CCC(c2ccccc2)O1 Amb22752551 [1,1,0,0,0,0|2,0,0]=4 2112 B13R2.10 OC1CC[C@@H](c2ccccc2)O1 Amb26320377 [1,1,0,0,0,0|2,0,0]=4 2113 B13R2.10 OC1CNC(c2ccccc2)C1 Amb24710004 [1,1,0,0,0,0|1,0,0]=3 2114 B13R2.10 OC1CNC(c2ccccc2)C1 Amb28555783 [1,1,0,0,0,0|1,0,0]=3 2115 B13R2.10 OC1CNN(c2ccccc2)C1 Amb27594823 [1,1,0,0,0,0|2,0,0]=4 2116 B13R2.10 OC1COC(c2ccccc2)C1 Amb27951078 [1,1,0,0,0,0|2,0,0]=4 2117 B13R2.10 OC1COC(c2cccnc2)C1 Amb29853387 [1,1,0,0,0,0|1,0,0]=3 2118 B13R2.10 OC1COC(c2cnccn2)C1 Amb35602924 [1,1,0,0,0,0|2,0,0]=4 2119 B13R2.10 OC1COC(c2cncnc2)C1 Amb35700508 [1,1,0,0,0,0|2,0,0]=4 2120 B13R2.10 OC1CO[C@H](c2ccccc2)C1 Amb27983221 [1,1,0,0,0,0|2,0,0]=4 2121 B13R2.10 O[C@@H]1CC[C@@H](c2ccccc2)C1 Amb27218901 [1,1,0,0,0,0|2,0,0]=4 2122 B13R2.10 O[C@@H]1CC[C@H](c2ccccc2)C1 Amb27431425 [1,1,0,0,0,0|2,0,0]=4 2123 B13R2.10 O[C@H]1CC[C@H](c2ccccc2)C1 Amb27420311 [1,1,0,0,0,0|2,0,0]=4 2124 B13R2.10 S=C1NCC(c2cccnc2)N1 Amb27968461 [1,1,0,0,0,0|1,0,1]=4 2125 B13R2.10 SC1NCC(c2ccccc2)N1 Amb27985939 [1,1,0,0,0,0|2,0,0]=4 2126 B13R2.12 Brc1ccc(C2CCCC2)cc1 Amb18163151 [1,1,0,0,0,0|2,0,0]=4 2127 B13R2.12 Brc1ccc(C2CCCC2)cn1 Amb10600542 [1,1,0,0,0,0|1,0,0]=3 2128 B13R2.12 Brc1ccc(C2CCCC2)nn1 Amb10599706 [1,1,0,0,0,0|2,0,0]=4 2129 B13R2.12 Brc1ccc(C2CCCN2)cc1 Amb20623816 [1,1,0,0,0,0|1,0,0]=3 2130 B13R2.12 Brc1ccc(C2CCCN2)cc1 Amb2234648 [1,1,0,0,0,0|1,0,0]=3 2131 B13R2.12 Brc1ccc(C2CCCN2)cn1 Amb20617292 [1,1,0,0,0,0|0,0,0]=2 2132 B13R2.12 Brc1ccc(C2CCCN2)nc1 Amb22490888 [1,1,0,0,0,0|2,0,0]=4 2133 B13R2.12 Brc1ccc(C2CCCN2)nc1 Amb28653089 [1,1,0,0,0,0|2,0,0]=4 2134 B13R2.12 Brc1ccc(C2CCCO2)cc1 Amb17343724 [1,1,0,0,0,0|2,0,0]=4 2135 B13R2.12 Brc1ccc(C2CCCO2)cn1 Amb20617289 [1,1,0,0,0,0|1,0,0]=3 2136 B13R2.12 Brc1ccc(C2CCOC2)cn1 Amb10600931 [1,1,0,0,0,0|2,0,0]=4 2137 B13R2.12 Brc1ccc(C2CNCS2)cn1 Amb26647380 [1,1,0,0,0,0|2,0,0]=4 2138 B13R2.12 Brc1ccc(C2NCCO2)cc1 Amb17344018 [1,1,0,0,0,0|2,0,0]=4 2139 B13R2.12 Brc1ccc(C2NCCS2)cc1 Amb6882789 [1,1,0,0,0,0|2,0,0]=4 2140 B13R2.12 Brc1ccc(C2OCCO2)cn1 Amb26498575 [1,1,0,0,0,0|2,0,0]=4 2141 B13R2.12 Brc1ccc(N2CCCC2)cn1 Amb10600715 [1,1,0,0,0,0|2,0,0]=4 2142 B13R2.12 Brc1ccc([C@@H]2CCCN2)cc1 Amb23440338 [1,1,0,0,0,0|1,0,0]=3 2143 B13R2.12 Brc1ccc([C@@H]2CCCN2)cc1 Amb8397162 [1,1,0,0,0,0|1,0,0]=3 2144 B13R2.12 Brc1ccc([C@H]2CCCN2)cc1 Amb33872495 [1,1,0,0,0,0|1,0,0]=3 2145 B13R2.12 Brc1ccc([C@H]2CCCN2)cc1 Amb8397163 [1,1,0,0,0,0|1,0,0]=3 2146 B13R2.12 Brc1cnc(C2CCCC2)cn1 Amb10599475 [1,1,0,0,0,0|2,0,0]=4 2147 B13R2.12 Brc1ncc(C2CCCC2)cn1 Amb20617947 [1,1,0,0,0,0|2,0,0]=4 2148 B13R2.12 Cc1ccc(C2=CCCN2)cn1 Amb27392205 [1,1,0,0,0,0|0,0,2]=4 2149 B13R2.12 Cc1ccc(C2CCCC2)cc1 Amb22436841 [1,1,0,0,0,0|2,0,0]=4 2150 B13R2.12 Cc1ccc(C2CCCN2)cc1 Amb9713679 [1,1,0,0,0,0|1,0,0]=3 2151 B13R2.12 Cc1ccc(C2CCCN2)cn1 Amb15692074 [1,1,0,0,0,0|0,0,0]=2 2152 B13R2.12 Cc1ccc(C2CCCN2)nc1 Amb3788165 [1,1,0,0,0,0|2,0,0]=4 2153 B13R2.12 Cc1ccc(C2CCCO2)cc1 Amb17334569 [1,1,0,0,0,0|2,0,0]=4 2154 B13R2.12 Cc1ccc(C2CCNC2)cn1 Amb18829563 [1,1,0,0,0,0|2,0,0]=4 2155 B13R2.12 Cc1ccc(C2CCNC2)cn1 Amb32662547 [1,1,0,0,0,0|2,0,0]=4 2156 B13R2.12 Cc1ccc(C2NCCO2)cc1 Amb17334583 [1,1,0,0,0,0|2,0,0]=4 2157 B13R2.12 Cc1ccc(C2NCCS2)cc1 Amb1294340 [1,1,0,0,0,0|2,0,0]=4 2158 B13R2.12 Cc1ccc(C2OCCO2)cn1 Amb27801707 [1,1,0,0,0,0|2,0,0]=4 2159 B13R2.12 Cc1ccc(N2CCCN2)nn1 Amb27656100 [1,1,0,0,0,0|2,0,0]=4 2160 B13R2.12 Cc1ccc([C@@H]2CCCN2)cc1 Amb28342978 [1,1,0,0,0,0|1,0,0]=3 2161 B13R2.12 Cc1ccc([C@@H]2CCCN2)cn1 Amb27815016 [1,1,0,0,0,0|0,0,0]=2 2162 B13R2.12 Cc1ccc([C@H]2CCCN2)cc1 Amb27397644 [1,1,0,0,0,0|1,0,0]=3 2163 B13R2.12 Cc1ccc([C@H]2CCCN2)cn1 Amb27810788 [1,1,0,0,0,0|0,0,0]=2 2164 B13R2.12 Cc1cnc(C2CCCN2)cn1 Amb25866227 [1,1,0,0,0,0|1,0,0]=3 2165 B13R2.12 Clc1ccc(C2=NCCN2)cn1 Amb28399404 [1,1,0,0,0,0|1,0,1]=4 2166 B13R2.12 Clc1ccc(C2CCCC2)cc1 Amb27595598 [1,1,0,0,0,0|2,0,0]=4 2167 B13R2.12 Clc1ccc(C2CCCC2)nn1 Amb18325152 [1,1,0,0,0,0|2,0,0]=4 2168 B13R2.12 Clc1ccc(C2CCCN2)cc1 Amb13951478 [1,1,0,0,0,0|1,0,0]=3 2169 B13R2.12 Clc1ccc(C2CCCN2)cc1 Amb2234462 [1,1,0,0,0,0|1,0,0]=3 2170 B13R2.12 Clc1ccc(C2CCCN2)cn1 Amb20617293 [1,1,0,0,0,0|0,0,0]=2 2171 B13R2.12 Clc1ccc(C2CCCN2)nc1 Amb26979875 [1,1,0,0,0,0|2,0,0]=4 2172 B13R2.12 Clc1ccc(C2CCCO2)cc1 Amb17335592 [1,1,0,0,0,0|2,0,0]=4 2173 B13R2.12 Clc1ccc(C2CCCO2)cn1 Amb20617290 [1,1,0,0,0,0|1,0,0]=3 2174 B13R2.12 Clc1ccc(C2CCCO2)nn1 Amb26489453 [1,1,0,0,0,0|2,0,0]=4 2175 B13R2.12 Clc1ccc(C2CCCS2)cc1 Amb28120266 [1,1,0,0,0,0|2,0,0]=4 2176 B13R2.12 Clc1ccc(C2CCNC2)cn1 Amb26464062 [1,1,0,0,0,0|2,0,0]=4 2177 B13R2.12 Clc1ccc(C2CCNC2)cn1 Amb32668371 [1,1,0,0,0,0|2,0,0]=4 2178 B13R2.12 Clc1ccc(C2CCNC2)cn1 Amb33734221 [1,1,0,0,0,0|2,0,0]=4 2179 B13R2.12 Clc1ccc(C2CCON2)cc1 Amb35826256 [1,1,0,0,0,0|2,0,0]=4 2180 B13R2.12 Clc1ccc(C2NCCO2)cc1 Amb17335657 [1,1,0,0,0,0|2,0,0]=4 2181 B13R2.12 Clc1ccc(C2NCCS2)cc1 Amb1294337 [1,1,0,0,0,0|2,0,0]=4 2182 B13R2.12 Clc1ccc(C2NCCS2)cn1 Amb27769976 [1,1,0,0,0,0|1,0,0]=3 2183 B13R2.12 Clc1ccc(C2OCCO2)cn1 Amb21964962 [1,1,0,0,0,0|2,0,0]=4 2184 B13R2.12 Clc1ccc(N2CCCC2)cn1 Amb17562748 [1,1,0,0,0,0|2,0,0]=4 2185 B13R2.12 Clc1ccc(N2CCCN2)nn1 Amb27653694 [1,1,0,0,0,0|2,0,0]=4 2186 B13R2.12 Clc1ccc([C@@H]2CCCN2)cc1 Amb24061830 [1,1,0,0,0,0|1,0,0]=3 2187 B13R2.12 Clc1ccc([C@@H]2CCCN2)cc1 Amb8397168 [1,1,0,0,0,0|1,0,0]=3 2188 B13R2.12 Clc1ccc([C@@H]2CCCN2)nc1 Amb27172439 [1,1,0,0,0,0|2,0,0]=4 2189 B13R2.12 Clc1ccc([C@H]2CCCN2)cc1 Amb24078653 [1,1,0,0,0,0|1,0,0]=3 2190 B13R2.12 Clc1ccc([C@H]2CCCN2)cc1 Amb8397169 [1,1,0,0,0,0|1,0,0]=3 2191 B13R2.12 Clc1ccc([C@H]2CCCN2)cn1 Amb27391201 [1,1,0,0,0,0|0,0,0]=2 2192 B13R2.12 Clc1cnc(C2CCCC2)cn1 Amb32698809 [1,1,0,0,0,0|2,0,0]=4 2193 B13R2.12 Clc1cnc(N2CCCN2)cn1 Amb27215109 [1,1,0,0,0,0|2,0,0]=4 2194 B13R2.12 Clc1ncc(C2CCCC2)cn1 Amb20617948 [1,1,0,0,0,0|2,0,0]=4 2195 B13R2.12 Fc1ccc(C2CCCN2)cc1 Amb1162827 [1,1,0,0,0,0|1,0,0]=3 2196 B13R2.12 Fc1ccc(C2CCCN2)cc1 Amb24100665 [1,1,0,0,0,0|1,0,0]=3 2197 B13R2.12 Fc1ccc(C2CCCN2)cn1 Amb24487131 [1,1,0,0,0,0|0,0,0]=2 2198 B13R2.12 Fc1ccc(C2CCCN2)nc1 Amb27231681 [1,1,0,0,0,0|2,0,0]=4 2199 B13R2.12 Fc1ccc(C2CCCO2)cc1 Amb17334671 [1,1,0,0,0,0|2,0,0]=4 2200 B13R2.12 Fc1ccc(C2CCCS2)cc1 Amb27756238 [1,1,0,0,0,0|2,0,0]=4 2201 B13R2.12 Fc1ccc(C2CCNC2)cn1 Amb18199644 [1,1,0,0,0,0|2,0,0]=4 2202 B13R2.12 Fc1ccc(C2CCNC2)cn1 Amb33733864 [1,1,0,0,0,0|2,0,0]=4 2203 B13R2.12 Fc1ccc(C2COCN2)cc1 Amb27616871 [1,1,0,0,0,0|2,0,0]=4 2204 B13R2.12 Fc1ccc(C2NCCO2)cc1 Amb17334700 [1,1,0,0,0,0|2,0,0]=4 2205 B13R2.12 Fc1ccc(C2NCCS2)cc1 Amb6384560 [1,1,0,0,0,0|2,0,0]=4 2206 B13R2.12 Fc1ccc([C@@H]2CCCN2)cc1 Amb22225502 [1,1,0,0,0,0|1,0,0]=3 2207 B13R2.12 Fc1ccc([C@@H]2CCCN2)cc1 Amb8397174 [1,1,0,0,0,0|1,0,0]=3 2208 B13R2.12 Fc1ccc([C@@H]2CCCN2)nc1 Amb24713706 [1,1,0,0,0,0|2,0,0]=4 2209 B13R2.12 Fc1ccc([C@@H]2CCCN2)nc1 Amb30869546 [1,1,0,0,0,0|2,0,0]=4 2210 B13R2.12 Fc1ccc([C@@H]2COCN2)cc1 Amb24117849 [1,1,0,0,0,0|2,0,0]=4 2211 B13R2.12 Fc1ccc([C@H]2CCCN2)cc1 Amb22265444 [1,1,0,0,0,0|1,0,0]=3 2212 B13R2.12 Fc1ccc([C@H]2CCCN2)cc1 Amb8397175 [1,1,0,0,0,0|1,0,0]=3 2213 B13R2.12 Fc1ccc([C@H]2CCCN2)nc1 Amb26968564 [1,1,0,0,0,0|2,0,0]=4 2214 B13R2.12 Ic1ccc(C2CCCN2)cc1 Amb32681223 [1,1,0,0,0,0|1,0,0]=3 2215 B13R2.12 Ic1ccc(C2CCCN2)cc1 Amb3794099 [1,1,0,0,0,0|1,0,0]=3 2216 B13R2.12 Ic1ccc(C2CCCN2)cn1 Amb28129788 [1,1,0,0,0,0|0,0,0]=2 2217 B13R2.12 Ic1ccc(N2CCCC2)cn1 Amb22900087 [1,1,0,0,0,0|2,0,0]=4 2218 B13R2.12 Ic1ccc([C@@H]2CCCN2)cc1 Amb27597082 [1,1,0,0,0,0|1,0,0]=3 2219 B13R2.12 Ic1ccc([C@H]2CCCN2)cc1 Amb27268234 [1,1,0,0,0,0|1,0,0]=3 2220 B13R2.12 Nc1ccc(C2=NCCC2)cn1 Amb23445275 [1,1,0,0,0,0|0,0,2]=4 2221 B13R2.12 Nc1ccc(C2=NCCN2)cn1 Amb10070824 [1,1,0,0,0,0|1,0,1]=4 2222 B13R2.12 Nc1ccc(C2CCCC2)cc1 Amb17106961 [1,1,0,0,0,0|2,0,0]=4 2223 B13R2.12 Nc1ccc(C2CCCC2)cn1 Amb10600543 [1,1,0,0,0,0|1,0,0]=3 2224 B13R2.12 Nc1ccc(C2CCCC2)nn1 Amb10599707 [1,1,0,0,0,0|2,0,0]=4 2225 B13R2.12 Nc1ccc(C2CCCN2)cc1 Amb18562044 [1,1,0,0,0,0|1,0,0]=3 2226 B13R2.12 Nc1ccc(C2CCCN2)cn1 Amb20617294 [1,1,0,0,0,0|0,0,0]=2 2227 B13R2.12 Nc1ccc(C2CCCN2)nn1 Amb32667307 [1,1,0,0,0,0|1,0,0]=3 2228 B13R2.12 Nc1ccc(C2CCCN2)nn1 Amb32667457 [1,1,0,0,0,0|1,0,0]=3 2229 B13R2.12 Nc1ccc(C2CCCO2)cc1 Amb17334584 [1,1,0,0,0,0|2,0,0]=4 2230 B13R2.12 Nc1ccc(C2CCCO2)cn1 Amb20617291 [1,1,0,0,0,0|1,0,0]=3 2231 B13R2.12 Nc1ccc(C2CCCO2)nn1 Amb28422152 [1,1,0,0,0,0|2,0,0]=4 2232 B13R2.12 Nc1ccc(C2CCNC2)cn1 Amb10600926 [1,1,0,0,0,0|2,0,0]=4 2233 B13R2.12 Nc1ccc(C2CCOC2)cn1 Amb10600932 [1,1,0,0,0,0|2,0,0]=4 2234 B13R2.12 Nc1ccc(C2OCCO2)cn1 Amb27265794 [1,1,0,0,0,0|2,0,0]=4 2235 B13R2.12 Nc1ccc(N2CCCC2)cn1 Amb1122469 [1,1,0,0,0,0|2,0,0]=4 2236 B13R2.12 Nc1ccc(N2CCCC2)cn1 Amb33006593 [1,1,0,0,0,0|2,0,0]=4 2237 B13R2.12 Nc1ccc([C@@H]2CCCN2)cc1 Amb27412992 [1,1,0,0,0,0|1,0,0]=3 2238 B13R2.12 Nc1ccc([C@@H]2CCCN2)nc1 Amb27241815 [1,1,0,0,0,0|2,0,0]=4 2239 B13R2.12 Nc1cnc(C2CCCC2)cn1 Amb10599476 [1,1,0,0,0,0|2,0,0]=4 2240 B13R2.12 Nc1cnc(C2CCCO2)cn1 Amb27805085 [1,1,0,0,0,0|2,0,0]=4 2241 B13R2.12 Nc1ncc(C2CCCC2)cn1 Amb18645924 [1,1,0,0,0,0|2,0,0]=4 2242 B13R2.12 Nc1ncc(C2CCCN2)cn1 Amb18828771 [1,1,0,0,0,0|1,0,0]=3 2243 B13R2.12 O=C1C=CC(C2CCCN2)=NN1 Amb26647414 [1,1,0,0,0,0|1,0,1]=4 2244 B13R2.12 O=C1C=CC([C@@H]2CCCN2)=NN1 Amb27243627 [1,1,0,0,0,0|1,0,1]=4 2245 B13R2.12 Oc1ccc(C2=NCCC2)cn1 Amb23445212 [1,1,0,0,0,0|0,0,2]=4 2246 B13R2.12 Oc1ccc(C2CCCC2)cc1 Amb3939130 [1,1,0,0,0,0|2,0,0]=4 2247 B13R2.12 Oc1ccc(C2CCCC2)cn1 Amb10600544 [1,1,0,0,0,0|1,0,0]=3 2248 B13R2.12 Oc1ccc(C2CCCN2)cc1 Amb10610042 [1,1,0,0,0,0|1,0,0]=3 2249 B13R2.12 Oc1ccc(C2CCCN2)cc1 Amb34932370 [1,1,0,0,0,0|1,0,0]=3 2250 B13R2.12 Oc1ccc(C2CCCN2)cc1 Amb6249119 [1,1,0,0,0,0|1,0,0]=3 2251 B13R2.12 Oc1ccc(C2CCCN2)cn1 Amb23445213 [1,1,0,0,0,0|0,0,0]=2 2252 B13R2.12 Oc1ccc(C2CCCN2)nn1 Amb28963370 [1,1,0,0,0,0|1,0,0]=3 2253 B13R2.12 Oc1ccc(C2CCCO2)cc1 Amb8439670 [1,1,0,0,0,0|2,0,0]=4 2254 B13R2.12 Oc1ccc(C2NCCO2)cc1 Amb2608924 [1,1,0,0,0,0|2,0,0]=4 2255 B13R2.12 Oc1ccc([C@@H]2CCCN2)cc1 Amb27240377 [1,1,0,0,0,0|1,0,0]=3 2256 B13R2.12 Oc1ccc([C@@H]2CCCN2)cn1 Amb28075362 [1,1,0,0,0,0|0,0,0]=2 2257 B13R2.12 Oc1ccc([C@H]2CCCN2)cc1 Amb25977004 [1,1,0,0,0,0|1,0,0]=3 2258 B13R2.12 Oc1ccc([C@H]2CCCN2)cc1 Amb31291287 [1,1,0,0,0,0|1,0,0]=3 2259 B13R2.12 Oc1cnc(C2CCCC2)cn1 Amb10599477 [1,1,0,0,0,0|2,0,0]=4 2260 B13R2.12 Oc1ncc(C2CCCC2)cn1 Amb18646096 [1,1,0,0,0,0|2,0,0]=4 2261 B13R2.12 Sc1ccc(C2CCCN2)cc1 Amb27170671 [1,1,0,0,0,0|1,0,0]=3 2262 B13R2.12 Sc1ccc(C2CCCN2)cn1 Amb23508000 [1,1,0,0,0,0|0,0,0]=2 2263 B13R2.12 Sc1ccc(C2CCNC2)cn1 Amb27482891 [1,1,0,0,0,0|2,0,0]=4 2264 B13R2.12 Sc1ccc([C@@H]2CCCN2)cn1 Amb27389165 [1,1,0,0,0,0|0,0,0]=2 2265 B13R2.13 Brc1cc(C2CCCN2)ccn1 Amb20617286 [1,1,0,0,0,0|2,0,0]=4 2266 B13R2.13 Brc1cc([C@@H]2CCCN2)ccn1 Amb27966077 [1,1,0,0,0,0|2,0,0]=4 2267 B13R2.13 Brc1cccc(C2CCCC2)c1 Amb20617099 [1,1,0,0,0,0|2,0,0]=4 2268 B13R2.13 Brc1cccc(C2CCCN2)c1 Amb2235034 [1,1,0,0,0,0|1,0,0]=3 2269 B13R2.13 Brc1cccc(C2CCCN2)c1 Amb2237174 [1,1,0,0,0,0|1,0,0]=3 2270 B13R2.13 Brc1cccc(C2CCCN2)n1 Amb20617298 [1,1,0,0,0,0|2,0,0]=4 2271 B13R2.13 Brc1cccc(C2NCCO2)c1 Amb17344017 [1,1,0,0,0,0|2,0,0]=4 2272 B13R2.13 Brc1cccc([C@@H]2CCCN2)c1 Amb23440340 [1,1,0,0,0,0|1,0,0]=3 2273 B13R2.13 Brc1cccc([C@@H]2CCCN2)c1 Amb8397165 [1,1,0,0,0,0|1,0,0]=3 2274 B13R2.13 Brc1cccc([C@@H]2CCCN2)n1 Amb27642362 [1,1,0,0,0,0|2,0,0]=4 2275 B13R2.13 Brc1cccc([C@H]2CCCN2)c1 Amb33801987 [1,1,0,0,0,0|1,0,0]=3 2276 B13R2.13 Brc1cccc([C@H]2CCCN2)c1 Amb8397164 [1,1,0,0,0,0|1,0,0]=3 2277 B13R2.13 Brc1ccnc([C@H]2CCCN2)c1 Amb27814155 [1,1,0,0,0,0|2,0,0]=4 2278 B13R2.13 Brc1cncc(C2=CCCC2)c1 Amb27796256 [1,1,0,0,0,0|1,0,1]=4 2279 B13R2.13 Brc1cncc(C2=NCCN2)c1 Amb27594217 [1,1,0,0,0,0|1,0,1]=4 2280 B13R2.13 Brc1cncc(C2CCCC2)c1 Amb20617717 [1,1,0,0,0,0|1,0,0]=3 2281 B13R2.13 Brc1cncc(C2CCCC2)n1 Amb10600328 [1,1,0,0,0,0|2,0,0]=4 2282 B13R2.13 Brc1cncc(C2CCCN2)c1 Amb2237176 [1,1,0,0,0,0|0,0,0]=2 2283 B13R2.13 Brc1cncc(C2CCNC2)c1 Amb24082796 [1,1,0,0,0,0|2,0,0]=4 2284 B13R2.13 Brc1cncc(C2CCOC2)c1 Amb24320760 [1,1,0,0,0,0|2,0,0]=4 2285 B13R2.13 Brc1cncc(N2CCCC2)c1 Amb19959584 [1,1,0,0,0,0|2,0,0]=4 2286 B13R2.13 Brc1cncc([C@@H]2CCCN2)c1 Amb10603130 [1,1,0,0,0,0|0,0,0]=2 2287 B13R2.13 Brc1cncc([C@@H]2CCCN2)c1 Amb33716707 [1,1,0,0,0,0|0,0,0]=2 2288 B13R2.13 Brc1cncc([C@@H]2CCCN2)c1 Amb33716717 [1,1,0,0,0,0|0,0,0]=2 2289 B13R2.13 Brc1cncc([C@@H]2CCCN2)c1 Amb33717104 [1,1,0,0,0,0|0,0,0]=2 2290 B13R2.13 Brc1cncc([C@H]2CCCN2)c1 Amb27412496 [1,1,0,0,0,0|0,0,0]=2 2291 B13R2.13 Cc1cc(C2CCCN2)ccn1 Amb20209021 [1,1,0,0,0,0|2,0,0]=4 2292 B13R2.13 Cc1cccc(C2CCCN2)c1 Amb9715990 [1,1,0,0,0,0|1,0,0]=3 2293 B13R2.13 Cc1cccc(C2CCCN2)n1 Amb20061790 [1,1,0,0,0,0|2,0,0]=4 2294 B13R2.13 Cc1cccc(C2NCCO2)c1 Amb17334582 [1,1,0,0,0,0|2,0,0]=4 2295 B13R2.13 Cc1cccc(C2NCCS2)c1 Amb8383051 [1,1,0,0,0,0|2,0,0]=4 2296 B13R2.13 Cc1cccc([C@@H]2CCCN2)c1 Amb25992616 [1,1,0,0,0,0|1,0,0]=3 2297 B13R2.13 Cc1cccc([C@@H]2CCCN2)n1 Amb27251995 [1,1,0,0,0,0|2,0,0]=4 2298 B13R2.13 Cc1cccc([C@H]2CCCN2)c1 Amb24426768 [1,1,0,0,0,0|1,0,0]=3 2299 B13R2.13 Cc1ccnc(C2CCCN2)c1 Amb25196537 [1,1,0,0,0,0|2,0,0]=4 2300 B13R2.13 Cc1cncc(C2=NCCC2)c1 Amb17617621 [1,1,0,0,0,0|0,0,2]=4 2301 B13R2.13 Cc1cncc(C2CCCN2)c1 Amb17617711 [1,1,0,0,0,0|0,0,0]=2 2302 B13R2.13 Cc1cncc(C2CCCN2)n1 Amb20062000 [1,1,0,0,0,0|1,0,0]=3 2303 B13R2.13 Cc1cncc(C2CCNC2)c1 Amb27632278 [1,1,0,0,0,0|2,0,0]=4 2304 B13R2.13 Cc1cncc(C2CCNC2)c1 Amb32662916 [1,1,0,0,0,0|2,0,0]=4 2305 B13R2.13 Cc1cncc([C@@H]2CCCN2)c1 Amb27470137 [1,1,0,0,0,0|0,0,0]=2 2306 B13R2.13 Cc1cnnc(N2CCCN2)c1 Amb27215111 [1,1,0,0,0,0|2,0,0]=4 2307 B13R2.13 Clc1cc(C2CCCN2)ccn1 Amb20617287 [1,1,0,0,0,0|2,0,0]=4 2308 B13R2.13 Clc1cccc(C2CCCN2)c1 Amb2234805 [1,1,0,0,0,0|1,0,0]=3 2309 B13R2.13 Clc1cccc(C2CCCN2)c1 Amb2237167 [1,1,0,0,0,0|1,0,0]=3 2310 B13R2.13 Clc1cccc(C2CCCN2)n1 Amb3788358 [1,1,0,0,0,0|2,0,0]=4 2311 B13R2.13 Clc1cccc(C2NCCO2)c1 Amb17335656 [1,1,0,0,0,0|2,0,0]=4 2312 B13R2.13 Clc1cccc(C2NCCS2)c1 Amb3319423 [1,1,0,0,0,0|2,0,0]=4 2313 B13R2.13 Clc1cccc([C@@H]2CCCN2)c1 Amb23440341 [1,1,0,0,0,0|1,0,0]=3 2314 B13R2.13 Clc1cccc([C@@H]2CCCN2)c1 Amb8397171 [1,1,0,0,0,0|1,0,0]=3 2315 B13R2.13 Clc1cccc([C@H]2CCCN2)c1 Amb24093535 [1,1,0,0,0,0|1,0,0]=3 2316 B13R2.13 Clc1cccc([C@H]2CCCN2)c1 Amb8397170 [1,1,0,0,0,0|1,0,0]=3 2317 B13R2.13 Clc1ccnc(C2CCCN2)c1 Amb3788361 [1,1,0,0,0,0|2,0,0]=4 2318 B13R2.13 Clc1cncc(C2CCCN2)c1 Amb24709338 [1,1,0,0,0,0|0,0,0]=2 2319 B13R2.13 Clc1cncc(C2CCNC2)c1 Amb27598020 [1,1,0,0,0,0|2,0,0]=4 2320 B13R2.13 Clc1cncc([C@@H]2CCCN2)c1 Amb28246619 [1,1,0,0,0,0|0,0,0]=2 2321 B13R2.13 Fc1cc(C2CCCN2)ccn1 Amb24560344 [1,1,0,0,0,0|2,0,0]=4 2322 B13R2.13 Fc1cc([C@H]2CCCN2)ccn1 Amb27202756 [1,1,0,0,0,0|2,0,0]=4 2323 B13R2.13 Fc1cccc(C2CCCN2)c1 Amb10609533 [1,1,0,0,0,0|1,0,0]=3 2324 B13R2.13 Fc1cccc(C2CCCN2)c1 Amb9712712 [1,1,0,0,0,0|1,0,0]=3 2325 B13R2.13 Fc1cccc(C2NCCO2)c1 Amb18563793 [1,1,0,0,0,0|2,0,0]=4 2326 B13R2.13 Fc1cccc([C@@H]2CCCN2)c1 Amb30451176 [1,1,0,0,0,0|1,0,0]=3 2327 B13R2.13 Fc1cccc([C@@H]2CCCN2)c1 Amb8397176 [1,1,0,0,0,0|1,0,0]=3 2328 B13R2.13 Fc1cccc([C@H]2CCCN2)c1 Amb30588569 [1,1,0,0,0,0|1,0,0]=3 2329 B13R2.13 Fc1cccc([C@H]2CCCN2)c1 Amb33801906 [1,1,0,0,0,0|1,0,0]=3 2330 B13R2.13 Fc1cccc([C@H]2CCCN2)c1 Amb8397177 [1,1,0,0,0,0|1,0,0]=3 2331 B13R2.13 Fc1ccnc(C2CCCN2)c1 Amb25095172 [1,1,0,0,0,0|2,0,0]=4 2332 B13R2.13 Fc1cncc(C2CCCN2)c1 Amb27251272 [1,1,0,0,0,0|0,0,0]=2 2333 B13R2.13 Fc1cncc(C2CCNC2)c1 Amb23586021 [1,1,0,0,0,0|2,0,0]=4 2334 B13R2.13 Fc1cncc(C2CCNC2)c1 Amb32662738 [1,1,0,0,0,0|2,0,0]=4 2335 B13R2.13 Fc1cncc(N2CCCN2)n1 Amb29861788 [1,1,0,0,0,0|2,0,0]=4 2336 B13R2.13 Fc1cncc([C@@H]2CCCN2)c1 Amb25757421 [1,1,0,0,0,0|0,0,0]=2 2337 B13R2.13 Ic1cccc(C2CCCN2)c1 Amb2235906 [1,1,0,0,0,0|1,0,0]=3 2338 B13R2.13 Ic1cccc(C2NCCS2)c1 Amb27250424 [1,1,0,0,0,0|2,0,0]=4 2339 B13R2.13 Ic1cccc([C@@H]2CCCN2)c1 Amb27259342 [1,1,0,0,0,0|1,0,0]=3 2340 B13R2.13 Ic1cncc([C@H]2CCCN2)c1 Amb27616968 [1,1,0,0,0,0|0,0,0]=2 2341 B13R2.13 Nc1cc(C2CCCN2)ccn1 Amb20617288 [1,1,0,0,0,0|2,0,0]=4 2342 B13R2.13 Nc1cccc(C2CCCC2)c1 Amb17106960 [1,1,0,0,0,0|2,0,0]=4 2343 B13R2.13 Nc1cccc(C2CCCN2)c1 Amb18064042 [1,1,0,0,0,0|1,0,0]=3 2344 B13R2.13 Nc1cccc(C2CCCN2)n1 Amb20617299 [1,1,0,0,0,0|2,0,0]=4 2345 B13R2.13 Nc1cccc(C2CCCO2)c1 Amb17334585 [1,1,0,0,0,0|2,0,0]=4 2346 B13R2.13 Nc1cccc([C@@H]2CCCN2)c1 Amb30869527 [1,1,0,0,0,0|1,0,0]=3 2347 B13R2.13 Nc1cccc([C@H]2CCCN2)c1 Amb27196186 [1,1,0,0,0,0|1,0,0]=3 2348 B13R2.13 Nc1cccc([C@H]2CCCN2)c1 Amb33872241 [1,1,0,0,0,0|1,0,0]=3 2349 B13R2.13 Nc1cncc(C2=CCCC2)c1 Amb27753854 [1,1,0,0,0,0|1,0,1]=4 2350 B13R2.13 Nc1cncc(C2CCCC2)c1 Amb18829594 [1,1,0,0,0,0|1,0,0]=3 2351 B13R2.13 Nc1cncc(C2CCCC2)n1 Amb10600329 [1,1,0,0,0,0|2,0,0]=4 2352 B13R2.13 Nc1cncc(C2CCNC2)c1 Amb27862490 [1,1,0,0,0,0|2,0,0]=4 2353 B13R2.13 Nc1cncc(N2CCCC2)c1 Amb20617786 [1,1,0,0,0,0|2,0,0]=4 2354 B13R2.13 Nc1cncc([C@@H]2CCCN2)c1 Amb27859538 [1,1,0,0,0,0|0,0,0]=2 2355 B13R2.13 O=C1C=C(C2CCCN2)C=CN1 Amb28061677 [1,1,0,0,0,0|2,0,0]=4 2356 B13R2.13 Oc1cc([C@H]2CCCN2)ccn1 Amb27614834 [1,1,0,0,0,0|2,0,0]=4 2357 B13R2.13 Oc1cccc(C2CCCC2)c1 Amb20617100 [1,1,0,0,0,0|2,0,0]=4 2358 B13R2.13 Oc1cccc(C2CCCN2)c1 Amb18062874 [1,1,0,0,0,0|1,0,0]=3 2359 B13R2.13 Oc1cccc(C2CCCN2)c1 Amb30633926 [1,1,0,0,0,0|1,0,0]=3 2360 B13R2.13 Oc1cccc(C2NCCO2)c1 Amb17334631 [1,1,0,0,0,0|2,0,0]=4 2361 B13R2.13 Oc1ccnc(C2CCCN2)c1 Amb28146840 [1,1,0,0,0,0|2,0,0]=4 2362 B13R2.13 Oc1cncc(C2CCCC2)c1 Amb20617719 [1,1,0,0,0,0|1,0,0]=3 2363 B13R2.13 Oc1cncc(C2CCCC2)n1 Amb10600330 [1,1,0,0,0,0|2,0,0]=4 2364 B13R2.13 Oc1cncc(C2CCCN2)c1 Amb27882728 [1,1,0,0,0,0|0,0,0]=2 2365 B13R2.13 Oc1cncc(C2CCNC2)c1 Amb27616911 [1,1,0,0,0,0|2,0,0]=4 2366 B13R2.13 Oc1cncc(N2CCCC2)c1 Amb20617781 [1,1,0,0,0,0|2,0,0]=4 2367 B13R2.18 Brc1ccccc1C2CCCC2 Amb18760094 [1,1,0,0,0,0|2,0,0]=4 2368 B13R2.18 Brc1ccccc1C2CCCN2 Amb17659160 [1,1,0,0,0,0|1,0,0]=3 2369 B13R2.18 Brc1ccccc1C2CCCN2 Amb20626046 [1,1,0,0,0,0|1,0,0]=3 2370 B13R2.18 Brc1ccccc1C2CCCN2 Amb2237168 [1,1,0,0,0,0|1,0,0]=3 2371 B13R2.18 Brc1ccccc1C2NCCO2 Amb18571581 [1,1,0,0,0,0|2,0,0]=4 2372 B13R2.18 Brc1ccccc1[C@@H]2CCCN2 Amb8397166 [1,1,0,0,0,0|1,0,0]=3 2373 B13R2.18 Brc1ccccc1[C@H]2CCCN2 Amb8397167 [1,1,0,0,0,0|1,0,0]=3 2374 B13R2.18 Brc1cccnc1C2CCCN2 Amb26078105 [1,1,0,0,0,0|2,0,0]=4 2375 B13R2.18 Brc1cccnc1[C@H]2CCCN2 Amb28437212 [1,1,0,0,0,0|2,0,0]=4 2376 B13R2.18 Brc1ccncc1C2CCCC2 Amb20617517 [1,1,0,0,0,0|1,0,0]=3 2377 B13R2.18 Brc1ccncc1C2CCCN2 Amb27272648 [1,1,0,0,0,0|0,0,0]=2 2378 B13R2.18 Brc1cnccc1C2CCCN2 Amb24097518 [1,1,0,0,0,0|2,0,0]=4 2379 B13R2.18 Brc1cnncc1C2CCCC2 Amb18160603 [1,1,0,0,0,0|2,0,0]=4 2380 B13R2.18 Brc1ncccc1C2CCCN2 Amb3789775 [1,1,0,0,0,0|0,0,0]=2 2381 B13R2.18 Brc1ncccc1C2CCNC2 Amb25301377 [1,1,0,0,0,0|2,0,0]=4 2382 B13R2.18 Brc1ncccc1N2CCCC2 Amb24076783 [1,1,0,0,0,0|2,0,0]=4 2383 B13R2.18 Brc1ncncc1C2CCCC2 Amb24323120 [1,1,0,0,0,0|2,0,0]=4 2384 B13R2.18 Cc1ccccc1C2CCCC2 Amb28385527 [1,1,0,0,0,0|2,0,0]=4 2385 B13R2.18 Cc1ccccc1C2CCCN2 Amb20668068 [1,1,0,0,0,0|1,0,0]=3 2386 B13R2.18 Cc1ccccc1C2CCCN2 Amb9715198 [1,1,0,0,0,0|1,0,0]=3 2387 B13R2.18 Cc1ccccc1C2NCCN2 Amb27190858 [1,1,0,0,0,0|2,0,0]=4 2388 B13R2.18 Cc1ccccc1C2NCCO2 Amb17334581 [1,1,0,0,0,0|2,0,0]=4 2389 B13R2.18 Cc1ccccc1[C@@H]2CCCN2 Amb24117100 [1,1,0,0,0,0|1,0,0]=3 2390 B13R2.18 Cc1ccccc1[C@H]2CCCN2 Amb24714734 [1,1,0,0,0,0|1,0,0]=3 2391 B13R2.18 Cc1cccnc1C2CCCN2 Amb15692067 [1,1,0,0,0,0|2,0,0]=4 2392 B13R2.18 Cc1cccnc1[C@@H]2CCCN2 Amb27493172 [1,1,0,0,0,0|2,0,0]=4 2393 B13R2.18 Cc1ccncc1C2C=CCN2 Amb28254734 [1,1,0,0,0,0|0,0,2]=4 2394 B13R2.18 Cc1ccncc1C2CCCN2 Amb18645737 [1,1,0,0,0,0|0,0,0]=2 2395 B13R2.18 Cc1ccncc1C2CCNC2 Amb24471679 [1,1,0,0,0,0|2,0,0]=4 2396 B13R2.18 Cc1ccncc1[C@@H]2CCCN2 Amb27203302 [1,1,0,0,0,0|0,0,0]=2 2397 B13R2.18 Cc1ccncc1[C@H]2CCCN2 Amb28364270 [1,1,0,0,0,0|0,0,0]=2 2398 B13R2.18 Cc1cnccc1C2CCCN2 Amb22496270 [1,1,0,0,0,0|2,0,0]=4 2399 B13R2.18 Cc1ncccc1C2=NCCC2 Amb15692885 [1,1,0,0,0,0|0,0,2]=4 2400 B13R2.18 Cc1ncccc1C2CCCN2 Amb15692075 [1,1,0,0,0,0|0,0,0]=2 2401 B13R2.18 Cc1ncccc1C2CCNC2 Amb23586023 [1,1,0,0,0,0|2,0,0]=4 2402 B13R2.18 Cc1nccnc1C2CCCN2 Amb20062001 [1,1,0,0,0,0|1,0,0]=3 2403 B13R2.18 Cc1nccnc1C2NCCS2 Amb35601010 [1,1,0,0,0,0|2,0,0]=4 2404 B13R2.18 Cc1ncncc1C2CCCN2 Amb18829151 [1,1,0,0,0,0|1,0,0]=3 2405 B13R2.18 Clc1ccccc1C2CCCN2 Amb19887240 [1,1,0,0,0,0|1,0,0]=3 2406 B13R2.18 Clc1ccccc1C2CCCN2 Amb9713718 [1,1,0,0,0,0|1,0,0]=3 2407 B13R2.18 Clc1ccccc1C2NCCO2 Amb17335655 [1,1,0,0,0,0|2,0,0]=4 2408 B13R2.18 Clc1ccccc1C2NCCP2 Amb27616986 [1,1,0,0,0,0|2,0,0]=4 2409 B13R2.18 Clc1ccccc1C2NCCS2 Amb1294336 [1,1,0,0,0,0|2,0,0]=4 2410 B13R2.18 Clc1ccccc1[C@@H]2CCCN2 Amb24062899 [1,1,0,0,0,0|1,0,0]=3 2411 B13R2.18 Clc1ccccc1[C@@H]2CCCN2 Amb8397172 [1,1,0,0,0,0|1,0,0]=3 2412 B13R2.18 Clc1ccccc1[C@H]2CCCN2 Amb24078711 [1,1,0,0,0,0|1,0,0]=3 2413 B13R2.18 Clc1ccccc1[C@H]2CCCN2 Amb8397173 [1,1,0,0,0,0|1,0,0]=3 2414 B13R2.18 Clc1ccncc1C2CCNC2 Amb18823442 [1,1,0,0,0,0|2,0,0]=4 2415 B13R2.18 Clc1cnccc1C2CCCN2 Amb3788359 [1,1,0,0,0,0|2,0,0]=4 2416 B13R2.18 Clc1ncccc1C2=NCCC2 Amb23444816 [1,1,0,0,0,0|0,0,2]=4 2417 B13R2.18 Clc1ncccc1C2CCCC2 Amb24319281 [1,1,0,0,0,0|1,0,0]=3 2418 B13R2.18 Clc1ncccc1C2CCCN2 Amb3788360 [1,1,0,0,0,0|0,0,0]=2 2419 B13R2.18 Clc1ncccc1C2CCNC2 Amb26873372 [1,1,0,0,0,0|2,0,0]=4 2420 B13R2.18 Clc1ncccc1C2OCCO2 Amb24309286 [1,1,0,0,0,0|2,0,0]=4 2421 B13R2.18 Clc1nccnc1C2CCCO2 Amb35637769 [1,1,0,0,0,0|2,0,0]=4 2422 B13R2.18 Fc1ccccc1C2CCCN2 Amb2693808 [1,1,0,0,0,0|1,0,0]=3 2423 B13R2.18 Fc1ccccc1C2CCCN2 Amb3788174 [1,1,0,0,0,0|1,0,0]=3 2424 B13R2.18 Fc1ccccc1C2NCCO2 Amb17334699 [1,1,0,0,0,0|2,0,0]=4 2425 B13R2.18 Fc1ccccc1[C@@H]2CCCN2 Amb24094371 [1,1,0,0,0,0|1,0,0]=3 2426 B13R2.18 Fc1ccccc1[C@H]2CCCN2 Amb24099980 [1,1,0,0,0,0|1,0,0]=3 2427 B13R2.18 Fc1cccnc1C2CCCN2 Amb15692066 [1,1,0,0,0,0|2,0,0]=4 2428 B13R2.18 Fc1cccnc1C2CCCN2 Amb33743630 [1,1,0,0,0,0|2,0,0]=4 2429 B13R2.18 Fc1ccncc1C2CCCN2 Amb27600809 [1,1,0,0,0,0|0,0,0]=2 2430 B13R2.18 Fc1cnccc1C2CCCN2 Amb23450076 [1,1,0,0,0,0|2,0,0]=4 2431 B13R2.18 Fc1ncccc1C2CCCN2 Amb3788188 [1,1,0,0,0,0|0,0,0]=2 2432 B13R2.18 Fc1ncccc1C2CCNC2 Amb18827733 [1,1,0,0,0,0|2,0,0]=4 2433 B13R2.18 Fc1ncccc1[C@@H]2CCCN2 Amb28127174 [1,1,0,0,0,0|0,0,0]=2 2434 B13R2.18 Ic1ccccc1C2CCCN2 Amb9713257 [1,1,0,0,0,0|1,0,0]=3 2435 B13R2.18 Ic1ccccc1[C@@H]2CCCN2 Amb27750769 [1,1,0,0,0,0|1,0,0]=3 2436 B13R2.18 Ic1ccccc1[C@H]2CCCN2 Amb27389454 [1,1,0,0,0,0|1,0,0]=3 2437 B13R2.18 Nc1ccccc1C2CCCC2 Amb17106959 [1,1,0,0,0,0|2,0,0]=4 2438 B13R2.18 Nc1ccccc1C2CCCN2 Amb18064028 [1,1,0,0,0,0|1,0,0]=3 2439 B13R2.18 Nc1ccccc1[C@@H]2CCCN2 Amb27259054 [1,1,0,0,0,0|1,0,0]=3 2440 B13R2.18 Nc1cccnc1[C@@H]2CCCN2 Amb28255483 [1,1,0,0,0,0|2,0,0]=4 2441 B13R2.18 Nc1ccncc1C2CCCC2 Amb24319530 [1,1,0,0,0,0|1,0,0]=3 2442 B13R2.18 Nc1ccncc1C2CCNC2 Amb27168603 [1,1,0,0,0,0|2,0,0]=4 2443 B13R2.18 Nc1ccncc1C2CCOC2 Amb27425210 [1,1,0,0,0,0|2,0,0]=4 2444 B13R2.18 Nc1ccncc1C2CCSC2 Amb29852281 [1,1,0,0,0,0|2,0,0]=4 2445 B13R2.18 Nc1ccncc1C2OCCO2 Amb25949767 [1,1,0,0,0,0|2,0,0]=4 2446 B13R2.18 Nc1ccncc1N2CCCC2 Amb24320954 [1,1,0,0,0,0|2,0,0]=4 2447 B13R2.18 Nc1ccncc1[C@@H]2CCCN2 Amb27250695 [1,1,0,0,0,0|0,0,0]=2 2448 B13R2.18 Nc1ncccc1C2=NCCC2 Amb23445309 [1,1,0,0,0,0|0,0,2]=4 2449 B13R2.18 Nc1ncccc1C2CCCC2 Amb18829596 [1,1,0,0,0,0|1,0,0]=3 2450 B13R2.18 Nc1ncccc1C2CCSC2 Amb29852282 [1,1,0,0,0,0|2,0,0]=4 2451 B13R2.18 Nc1ncccc1C2OCCO2 Amb24731260 [1,1,0,0,0,0|2,0,0]=4 2452 B13R2.18 Nc1ncccc1N2CCCC2 Amb24321082 [1,1,0,0,0,0|2,0,0]=4 2453 B13R2.18 Nc1ncccc1N2CCCO2 Amb28382542 [1,1,0,0,0,0|2,0,0]=4 2454 B13R2.18 Nc1ncccc1[C@@H]2CCCN2 Amb28322132 [1,1,0,0,0,0|0,0,0]=2 2455 B13R2.18 Nc1nccnc1C2CCCO2 Amb35645429 [1,1,0,0,0,0|2,0,0]=4 2456 B13R2.18 Nc1ncncc1C2CCCC2 Amb32681898 [1,1,0,0,0,0|2,0,0]=4 2457 B13R2.18 O=C1NC=CN=C1C2CCCN2 Amb24554838 [1,1,0,0,0,0|1,0,1]=4 2458 B13R2.18 Oc1ccccc1C2CCCC2 Amb3939129 [1,1,0,0,0,0|2,0,0]=4 2459 B13R2.18 Oc1ccccc1C2CCCN2 Amb18560469 [1,1,0,0,0,0|1,0,0]=3 2460 B13R2.18 Oc1ccccc1C2CCCN2 Amb30633924 [1,1,0,0,0,0|1,0,0]=3 2461 B13R2.18 Oc1ccccc1C2CCCO2 Amb18646054 [1,1,0,0,0,0|2,0,0]=4 2462 B13R2.18 Oc1ccccc1[C@H]2CCCN2 Amb27975756 [1,1,0,0,0,0|1,0,0]=3 2463 B13R2.18 Oc1ccncc1[C@@H]2CCCN2 Amb27470936 [1,1,0,0,0,0|0,0,0]=2 2464 B13R2.18 Oc1ncccc1C2CCCC2 Amb24319282 [1,1,0,0,0,0|1,0,0]=3 2465 B13R2.18 Sc1ccccc1C2CCCC2 Amb27840644 [1,1,0,0,0,0|2,0,0]=4 2466 B13R2.18 Sc1ccccc1[C@@H]2CCCN2 Amb27644204 [1,1,0,0,0,0|1,0,0]=3 2467 B13R2.18 Sc1ncccc1C2CCCN2 Amb23508034 [1,1,0,0,0,0|0,0,0]=2 2468 B13R2.18 Sc1ncccc1C2CCNC2 Amb28122891 [1,1,0,0,0,0|2,0,0]=4 2469 B13R2.223 CC1(c2ccccc2)CCCN1 Amb18829881 [1,1,0,0,0,0|1,0,0]=3 2470 B13R2.223 CC1(c2cccnc2)CCNC1 Amb18947277 [1,1,0,0,0,0|2,0,0]=4 2471 B13R2.223 CC1(c2cccnc2)CCNC1 Amb35746480 [1,1,0,0,0,0|2,0,0]=4 2472 B13R2.223 CC1(c2cccnc2)OCCO1 Amb28182640 [1,1,0,0,0,0|2,0,0]=4 2473 B13R2.223 CC1(c2cncnc2)CCCN1 Amb28046352 [1,1,0,0,0,0|1,0,0]=3 2474 B13R2.223 NC1(c2ccccc2)CCCC1 Amb33534496 [1,1,0,0,0,0|2,0,0]=4 2475 B13R2.223 NC1(c2ccccc2)CCCC1 Amb5753217 [1,1,0,0,0,0|2,0,0]=4 2476 B13R2.223 NC1(c2cccnc2)CCCC1 Amb18944274 [1,1,0,0,0,0|1,0,0]=3 2477 B13R2.223 NC1(c2cccnc2)CCOC1 Amb27629814 [1,1,0,0,0,0|2,0,0]=4 2478 B13R2.223 NC1(c2cccnn2)CCCC1 Amb27416841 [1,1,0,0,0,0|2,0,0]=4 2479 B13R2.223 NC1(c2cnccn2)CCCC1 Amb18829188 [1,1,0,0,0,0|2,0,0]=4 2480 B13R2.223 NC1(c2cncnc2)CCCC1 Amb18947630 [1,1,0,0,0,0|2,0,0]=4 2481 B13R2.223 OC1(c2ccccc2)CCCC1 Amb4010012 [1,1,0,0,0,0|2,0,0]=4 2482 B13R2.223 OC1(c2ccccc2)CCCO1 Amb22752498 [1,1,0,0,0,0|2,0,0]=4 2483 B13R2.223 OC1(c2cccnc2)CCCC1 Amb18792484 [1,1,0,0,0,0|1,0,0]=3 2484 B13R2.223 OC1(c2cccnc2)CCNC1 Amb24063163 [1,1,0,0,0,0|2,0,0]=4 2485 B13R2.223 OC1(c2cccnc2)CCNC1 Amb33733609 [1,1,0,0,0,0|2,0,0]=4 2486 B13R2.223 SC1(c2ccccc2)CCCC1 Amb32952802 [1,1,0,0,0,0|2,0,0]=4 2487 B13R2.61 CCN1CCCC1c2ncon2 Amb27451860 [0,1,0,0,1,0|2,0,0]=4 2488 B13R2.61 CNC1CCCC1c2cncs2 Amb35608575 [0,1,0,0,1,0|2,0,0]=4 2489 B13R2.61 CNC1CCCC1c2cnsc2 Amb35731640 [0,1,0,0,1,0|2,0,0]=4 2490 B13R2.61 CNC1CCCC1n2cccn2 Amb18956865 [0,1,0,0,1,0|2,0,0]=4 2491 B13R2.61 CNC1CCCC1n2cccn2 Amb33496223 [0,1,0,0,1,0|2,0,0]=4 2492 B13R2.61 CN[C@@H]1CCC[C@H]1n2cccn2 Amb28990974 [0,1,0,0,1,0|2,0,0]=4 2493 B13R2.61 NCC1CCCC1c2ccns2 Amb27855667 [0,1,0,0,1,0|2,0,0]=4 2494 B13R2.61 NCC1CCCC1c2cncs2 Amb29878039 [0,1,0,0,1,0|2,0,0]=4 2495 B13R2.61 NCC1CCCC1c2cnsc2 Amb35715884 [0,1,0,0,1,0|2,0,0]=4 2496 B13R2.61 NCC1CCCC1c2cscn2 Amb27203620 [0,1,0,0,1,0|2,0,0]=4 2497 B13R2.61 O=CN1CCCC1c2ccco2 Amb23578264 [0,1,0,0,1,0|1,0,1]=4 2498 B13R2.61 O=CN1CCCC1c2ccoc2 Amb23578290 [0,1,0,0,1,0|1,0,1]=4 2499 B13R2.61 OCC1CCCC1c2ccsc2 Amb28138521 [0,1,0,0,1,0|2,0,0]=4 2500 B13R2.144 CN1CCCC1C2=NC(=O)CS2 Amb35598100 [0,1,0,0,1,0|1,0,1]=4 2501 B13R2.144 CN1CCCC1C2=NCC(=O)N2 Amb35600247 [0,1,0,0,1,0|1,0,1]=4 2502 B13R2.144 CN1CCCC1C2=NNC(=O)N2 Amb35600235 [0,1,0,0,1,0|2,0,0]=4 2503 B13R2.144 CN1CCCC1c2nc(N)cs2 Amb35598381 [0,1,0,0,1,0|1,0,0]=3 2504 B13R2.144 CN1CCCC1c2nc(O)cs2 Amb35598102 [0,1,0,0,1,0|1,0,0]=3 2505 B13R2.144 CN1CCCC1c2noc(N)n2 Amb35664556 [0,1,0,0,1,0|2,0,0]=4 2506 B13R2.144 CN1CCCC1c2noc(S)n2 Amb35666675 [0,1,0,0,1,0|2,0,0]=4 2507 B13R2.144 CN1CCCC1c2nsc(Br)n2 Amb35598268 [0,1,0,0,1,0|2,0,0]=4 2508 B13R2.144 CN1CCCC1c2nsc(Cl)n2 Amb35598267 [0,1,0,0,1,0|2,0,0]=4 2509 B13R2.144 CN1CCCC1c2nsc(I)n2 Amb35598269 [0,1,0,0,1,0|2,0,0]=4 2510 B13R2.144 CN1CCCC1c2nsc(N)n2 Amb35664286 [0,1,0,0,1,0|2,0,0]=4 2511 B13R2.144 Cc1cc(C2CCCN2C)on1 Amb31297398 [0,1,0,0,1,0|1,0,0]=3 2512 B13R2.144 Cc1cc([C@@H]2CCCN2C)no1 Amb26879854 [0,1,0,0,1,0|1,0,0]=3 2513 B13R2.144 Cc1cc([C@@H]2CCCN2C)on1 Amb22336773 [0,1,0,0,1,0|1,0,0]=3 2514 B13R2.144 Cc1cc([C@H]2CCCN2C)on1 Amb25873814 [0,1,0,0,1,0|1,0,0]=3 2515 B13R2.144 Cc1cnc(C2CCCC2C)s1 Amb28319275 [0,1,0,0,1,0|2,0,0]=4 2516 B13R2.144 Cc1cnc(C2CCCN2C)s1 Amb35668434 [0,1,0,0,1,0|1,0,0]=3 2517 B13R2.144 Cc1nc([C@@H]2CCCN2C)cs1 Amb28062119 [0,1,0,0,1,0|1,0,0]=3 2518 B13R2.144 Cc1noc(C2CCCN2C)n1 Amb27589636 [0,1,0,0,1,0|2,0,0]=4 2519 B13R2.144 Cn1cc(C2CCCN2N)cn1 Amb27432398 [0,1,0,0,1,0|2,0,0]=4 2520 B13R2.144 NN1CCCC1c2cc(Br)cs2 Amb26539910 [0,1,0,0,1,0|2,0,0]=4 2521 B13R2.144 NN1CCCC1c2ccc(Br)s2 Amb25159900 [0,1,0,0,1,0|2,0,0]=4 2522 B13R2.144 NN1CCCC1c2ccc(Cl)s2 Amb25245899 [0,1,0,0,1,0|2,0,0]=4 2523 B13R2.178 CC1CCCC1(O)c2cccs2 Amb27982082 [0,1,0,0,1,0|2,0,0]=4 2524 B13R2.178 CC1CCCC1(O)c2ccoc2 Amb27638586 [0,1,0,0,1,0|2,0,0]=4 2525 B13R2.178 CC1CCCC1(O)c2ccsn2 Amb28255217 [0,1,0,0,1,0|2,0,0]=4 2526 B13R2.178 CC1CCCC1(O)c2cncs2 Amb35616822 [0,1,0,0,1,0|2,0,0]=4 2527 B13R2.178 CC1CCCC1(O)c2cnsc2 Amb30020079 [0,1,0,0,1,0|2,0,0]=4 2528 B13R2.181 CC1CCCC1n2ccnc2S Amb28199499 [0,1,0,0,1,0|2,0,0]=4 2529 B13R2.181 CC1CCCC1n2nccc2N Amb28064584 [0,1,0,0,1,0|2,0,0]=4 2530 B13R2.181 Cn1cccc1C2CCCN2N Amb26883617 [0,1,0,0,1,0|1,0,1]=4 2531 B13R2.2348 CC1C(Br)CCC1c2ccsn2 Amb27967798 [0,1,0,0,1,0|2,0,0]=4 2532 B13R2.2348 CC1C(Br)CCC1c2cncs2 Amb35632732 [0,1,0,0,1,0|2,0,0]=4 2533 B13R2.2348 CC1C(Br)CCC1c2cnsc2 Amb29862977 [0,1,0,0,1,0|2,0,0]=4 2534 B13R2.2348 CC1C(Cl)CCC1c2ccns2 Amb27850827 [0,1,0,0,1,0|2,0,0]=4 2535 B13R2.2348 CC1C(Cl)CCC1c2ccsc2 Amb27616759 [0,1,0,0,1,0|2,0,0]=4 2536 B13R2.2348 CC1C(Cl)CCC1c2cncs2 Amb35632729 [0,1,0,0,1,0|2,0,0]=4 2537 B13R2.2348 CC1C(Cl)CCC1c2cnsc2 Amb29862972 [0,1,0,0,1,0|2,0,0]=4 2538 B13R2.2348 CC1C(N)CCC1c2cncs2 Amb35612976 [0,1,0,0,1,0|2,0,0]=4 2539 B13R2.2348 CC1C(N)CCC1c2cnsc2 Amb35730670 [0,1,0,0,1,0|2,0,0]=4 2540 B13R2.2348 CC1C(O)CCC1c2ccoc2 Amb27461107 [0,1,0,0,1,0|2,0,0]=4 2541 B13R2.2348 CC1C(O)CCC1c2cncs2 Amb35590281 [0,1,0,0,1,0|2,0,0]=4 2542 B13R2.2348 CC1C(O)CCC1c2cnsc2 Amb29868503 [0,1,0,0,1,0|2,0,0]=4 2543 B13R2.2348 CC1C(O)CCC1c2cscn2 Amb27648262 [0,1,0,0,1,0|2,0,0]=4 2544 B13R2.3042 CN1CCC(N)C1c2ccco2 Amb28045980 [0,1,0,0,1,0|1,0,0]=3 2545 B13R2.3042 CN1CCC(N)C1c2cccs2 Amb25053643 [0,1,0,0,1,0|1,0,0]=3 2546 B13R2.3042 CN1CCC(N)C1c2ccns2 Amb29856217 [0,1,0,0,1,0|1,0,0]=3 2547 B13R2.3042 CN1CCC(N)C1c2ccsc2 Amb27146950 [0,1,0,0,1,0|1,0,0]=3 2548 B13R2.3042 CN1CCC(N)C1c2cncs2 Amb25894577 [0,1,0,0,1,0|1,0,0]=3 2549 B13R2.3042 CN1CCC(N)C1c2cnsc2 Amb32950366 [0,1,0,0,1,0|1,0,0]=3 2550 B13R2.3042 CN1CCC(N)C1c2cscn2 Amb25896733 [0,1,0,0,1,0|1,0,0]=3 2551 B13R2.3042 CN1CCC(N)C1c2nccs2 Amb25894578 [0,1,0,0,1,0|1,0,0]=3 2552 B13R2.3207 CC1(C)CCCC1c2cnco2 Amb35652619 [0,1,0,0,1,0|2,0,0]=4 2553 B13R2.3207 CC1(C)CCCC1n2cccc2 Amb28382345 [0,1,0,0,1,0|2,0,0]=4 2554 B13R2.3207 CC1(C)CCCC1n2cccn2 Amb28138327 [0,1,0,0,1,0|2,0,0]=4 2555 B13R2.56 CNC1CCC1c2ccccc2 Amb27858960 [0,1,0,0,1,0|2,0,0]=4 2556 B13R2.56 NCC1CCC1c2ccccc2 Amb27615402 [0,1,0,0,1,0|2,0,0]=4 2557 B13R2.56 NCC1CCC1c2cccnc2 Amb27817512 [0,1,0,0,1,0|1,0,0]=3 2558 B13R2.56 NCC1CCC1c2cncnc2 Amb27258906 [0,1,0,0,1,0|2,0,0]=4 2559 B13R2.56 NCC1CCN1c2cccnc2 Amb35595819 [0,1,0,0,1,0|2,0,0]=4 2560 B13R2.56 OCC1CCC1c2ccccc2 Amb23453480 [0,1,0,0,1,0|2,0,0]=4 2561 B13R2.146 Cc1ccc(C2CCC2N)cn1 Amb28456220 [0,1,0,0,1,0|2,0,0]=4 2562 B13R2.146 Cc1ccc(C2CCC2O)cn1 Amb32944375 [0,1,0,0,1,0|2,0,0]=4 2563 B13R2.150 CC1CCN1c2cncc(Br)c2 Amb27808670 [0,1,0,0,1,0|2,0,0]=4 2564 B13R2.150 CN1CCC1c2cccc(N)c2 Amb27186799 [0,1,0,0,1,0|1,0,0]=3 2565 B13R2.150 Cc1cncc(C2CCC2O)c1 Amb33212988 [0,1,0,0,1,0|2,0,0]=4 2566 B13R2.150 OC1CCC1c2cncc(F)c2 Amb32944692 [0,1,0,0,1,0|2,0,0]=4 2567 B13R2.215 CN1CCC1c2ccccc2O Amb27229151 [0,1,0,0,1,0|1,0,0]=3 2568 B13R2.215 Cc1ccncc1C2CCC2O Amb32945291 [0,1,0,0,1,0|2,0,0]=4 2569 B13R2.215 Cc1ncccc1C2CCC2O Amb32950136 [0,1,0,0,1,0|2,0,0]=4 2570 B13R2.215 Nc1ccncc1C2CCC2O Amb32944997 [0,1,0,0,1,0|2,0,0]=4 2571 B13R2.215 Nc1ncccc1C2CCC2O Amb32950638 [0,1,0,0,1,0|2,0,0]=4 2572 B13R2.215 OC1CCC1c2cccnc2Br Amb32944345 [0,1,0,0,1,0|2,0,0]=4 2573 B13R2.219 CC1(C)CNC1c2cccnc2 Amb27416862 [0,1,0,0,1,0|2,0,0]=4 2574 B13R2.373 CC1C(N)CC1c2ccccc2 Amb20669477 [0,1,0,0,1,0|2,0,0]=4 2575 B13R2.373 CC1C(N)CC1c2ccccc2 Amb22157239 [0,1,0,0,1,0|2,0,0]=4 2576 B13R2.373 CC1C(N)CC1c2cnccn2 Amb27242129 [0,1,0,0,1,0|2,0,0]=4 2577 B15R2.17 BrCC1CCCC(c2ccccc2)O1 Amb26465390 [0,1,0,0,0,1|2,0,0]=4 2578 B15R2.17 BrCC1CCCC(c2cnccn2)O1 Amb35600957 [0,1,0,0,0,1|2,0,0]=4 2579 B15R2.17 CCN1CCNC(c2ccccc2)C1 Amb17594977 [0,1,0,0,0,1|2,0,0]=4 2580 B15R2.17 CNC1CCCC(c2ccccc2)C1 Amb27950225 [0,1,0,0,0,1|2,0,0]=4 2581 B15R2.17 CNC1CCCC(c2cnccn2)C1 Amb27169777 [0,1,0,0,0,1|2,0,0]=4 2582 B15R2.17 CNC1CCCN(c2cccnc2)C1 Amb27799553 [0,1,0,0,0,1|2,0,0]=4 2583 B15R2.17 ICC1CCCC(c2ccccc2)O1 Amb27250198 [0,1,0,0,0,1|2,0,0]=4 2584 B15R2.17 ICC1CCCC(c2cnccn2)O1 Amb35600960 [0,1,0,0,0,1|2,0,0]=4 2585 B15R2.17 NCC1CCCC(c2ccccc2)O1 Amb27234685 [0,1,0,0,0,1|2,0,0]=4 2586 B15R2.17 NCC1CCCC(c2cnccn2)O1 Amb35603040 [0,1,0,0,0,1|2,0,0]=4 2587 B15R2.17 NC[C@@H]1CCC[C@H](c2ccccc2)O1 Amb27254311 [0,1,0,0,0,1|2,0,0]=4 2588 B15R2.17 NC[C@H]1CCC[C@@H](c2ccccc2)C1 Amb27645444 [0,1,0,0,0,1|2,0,0]=4 2589 B15R2.17 OCC1CCCC(c2cnccn2)O1 Amb35600850 [0,1,0,0,0,1|2,0,0]=4 2590 B15R2.17 OCC1CCCN(c2cccnc2)C1 Amb22495122 [0,1,0,0,0,1|2,0,0]=4 2591 B15R2.17 OC[C@@H]1CCC[C@@H](c2ccccc2)C1 Amb27775880 [0,1,0,0,0,1|2,0,0]=4 2592 B15R2.17 OC[C@H]1CCC[C@@H](c2ccccc2)N1 Amb28051978 [0,1,0,0,0,1|2,0,0]=4 2593 B15R2.27 CC1=NC(c2ccccc2)CC(O)C1 Amb27805112 [0,1,0,0,0,1|2,0,0]=4 2594 B15R2.27 CC1=N[C@@H](c2ccccc2)C[C@@H](O)C1 Amb27790376 [0,1,0,0,0,1|2,0,0]=4 2595 B15R2.27 CC1CC(=O)CC(c2cccnc2)N1 Amb18819315 [0,1,0,0,0,1|1,0,1]=4 2596 B15R2.27 CC1CC(C)NC(c2ccccc2)C1 Amb26003719 [0,1,0,0,0,1|2,0,0]=4 2597 B15R2.27 CC1CC(C)NC(c2cncnc2)C1 Amb33275528 [0,1,0,0,0,1|2,0,0]=4 2598 B15R2.27 CC1CC(N)CC(c2ccccc2)C1 Amb20667642 [0,1,0,0,0,1|2,0,0]=4 2599 B15R2.27 CC1CC(N)CC(c2ccccc2)C1 Amb32653427 [0,1,0,0,0,1|2,0,0]=4 2600 B15R2.27 CC1CC(S)CC(c2ccccc2)C1 Amb32788522 [0,1,0,0,0,1|2,0,0]=4 2601 B15R2.27 CC1CN(C)CC(c2ccccc2)N1 Amb18819061 [0,1,0,0,0,1|2,0,0]=4 2602 B15R2.27 CC1CN(C)NC(c2cccnc2)S1 Amb27213747 [0,1,0,0,0,1|1,0,0]=3 2603 B15R2.27 CC1C[C@H](C)N[C@H](c2ccccc2)C1 Amb27440386 [0,1,0,0,0,1|2,0,0]=4 2604 B15R2.27 CN1C[C@H](O)C[C@H](c2ccccc2)C1 Amb27816278 [0,1,0,0,0,1|1,0,0]=3 2605 B15R2.27 C[C@@H]1C[C@H](Cl)C[C@H](c2ccccc2)O1 Amb27849062 [0,1,0,0,0,1|2,0,0]=4 2606 B15R2.27 C[C@H]1CC(O)C[C@@H](c2ccccc2)O1 Amb28345430 [0,1,0,0,0,1|2,0,0]=4 2607 B15R2.27 C[C@H]1C[C@@H](C)C[C@@H](c2ccccc2)N1 Amb27439982 [0,1,0,0,0,1|2,0,0]=4 2608 B15R2.27 C[C@H]1C[C@H](O)C[C@@H](c2ccccc2)N1 Amb27623329 [0,1,0,0,0,1|2,0,0]=4 2609 B15R2.27 NC1CC(=O)NC(c2cccnc2)C1 Amb27495642 [0,1,0,0,0,1|2,0,0]=4 2610 B15R2.28 CC1CCCC(c2ccc(N)cc2)C1 Amb26966938 [0,1,0,0,0,1|2,0,0]=4 2611 B15R2.28 CC1CCCN(c2ccc(Br)nc2)C1 Amb20617934 [0,1,0,0,0,1|2,0,0]=4 2612 B15R2.28 CC1CCCN(c2ccc(Cl)nc2)C1 Amb17562738 [0,1,0,0,0,1|2,0,0]=4 2613 B15R2.28 CC1CCCN(c2ccc(N)nc2)C1 Amb6679553 [0,1,0,0,0,1|2,0,0]=4 2614 B15R2.28 CC1CNCC(c2ccc(Cl)nc2)C1 Amb28072956 [0,1,0,0,0,1|2,0,0]=4 2615 B15R2.28 CN1CCCC(c2ccc(Br)cn2)C1 Amb20061649 [0,1,0,0,0,1|2,0,0]=4 2616 B15R2.28 CN1CCCC(c2ccc(N)nc2)C1 Amb27239881 [0,1,0,0,0,1|0,0,0]=2 2617 B15R2.28 CN1CCCC(c2cnc(Br)cn2)C1 Amb20062120 [0,1,0,0,0,1|1,0,0]=3 2618 B15R2.28 CN1CCNC(c2ccc(Br)cc2)C1 Amb17355027 [0,1,0,0,0,1|2,0,0]=4 2619 B15R2.28 CN1CCNC(c2ccc(Cl)cc2)C1 Amb17339575 [0,1,0,0,0,1|2,0,0]=4 2620 B15R2.28 CN1CCNC(c2ccc(F)cc2)C1 Amb17336850 [0,1,0,0,0,1|2,0,0]=4 2621 B15R2.28 CN1CCNC(c2ccc(N)cc2)C1 Amb27751867 [0,1,0,0,0,1|2,0,0]=4 2622 B15R2.28 CN1CCOC(c2ccc(Br)cc2)C1 Amb17507066 [0,1,0,0,0,1|2,0,0]=4 2623 B15R2.28 CN1CCOC(c2ccc(N)cc2)C1 Amb17193973 [0,1,0,0,0,1|2,0,0]=4 2624 B15R2.28 CN1CCOC(c2ccc(O)cc2)C1 Amb18562226 [0,1,0,0,0,1|2,0,0]=4 2625 B15R2.28 CN1CCO[C@@H](c2ccc(Br)cc2)C1 Amb25851490 [0,1,0,0,0,1|2,0,0]=4 2626 B15R2.28 CN1CCO[C@@H](c2ccc(Cl)cc2)C1 Amb28047446 [0,1,0,0,0,1|2,0,0]=4 2627 B15R2.28 CN1CCO[C@H](c2ccc(Br)cc2)C1 Amb27406877 [0,1,0,0,0,1|2,0,0]=4 2628 B15R2.28 CN1CCO[C@H](c2ccc(Br)cc2)C1 Amb33331060 [0,1,0,0,0,1|2,0,0]=4 2629 B15R2.28 Cc1ccc(C2CC(C)CCN2)cn1 Amb27593894 [0,1,0,0,0,1|2,0,0]=4 2630 B15R2.28 Cc1ccc(C2CCCC(C)C2)cc1 Amb22737769 [0,1,0,0,0,1|2,0,0]=4 2631 B15R2.28 Cc1ccc(C2CCCN(N)C2)cc1 Amb25170355 [0,1,0,0,0,1|2,0,0]=4 2632 B15R2.28 Cc1ccc(C2CN(C)CCN2)cc1 Amb17336270 [0,1,0,0,0,1|2,0,0]=4 2633 B15R2.28 Cc1ncc(C2CN(C)CCN2)cn1 Amb18816888 [0,1,0,0,0,1|2,0,0]=4 2634 B15R2.28 NC1CCCC(c2ccc(Br)nc2)C1 Amb27855559 [0,1,0,0,0,1|2,0,0]=4 2635 B15R2.28 NC1CCCC(c2ccc(O)nc2)C1 Amb28041506 [0,1,0,0,0,1|2,0,0]=4 2636 B15R2.28 NN1CCCC(c2ccc(Br)cc2)C1 Amb24385577 [0,1,0,0,0,1|2,0,0]=4 2637 B15R2.28 NN1CCCC(c2ccc(Cl)cc2)C1 Amb26839904 [0,1,0,0,0,1|2,0,0]=4 2638 B15R2.28 NN1CCCC(c2ccc(F)cc2)C1 Amb25739664 [0,1,0,0,0,1|2,0,0]=4 2639 B15R2.28 Nc1ccc(C2CCCC(=O)C2)cn1 Amb28324443 [0,1,0,0,0,1|2,0,0]=4 2640 B15R2.28 O=C1CCCC(c2ccc(F)nc2)C1 Amb27388114 [0,1,0,0,0,1|2,0,0]=4 2641 B15R2.30 CC1CCCC(c2cccc(N)c2)C1 Amb32653684 [0,1,0,0,0,1|2,0,0]=4 2642 B15R2.30 CC1CCCC(c2cccc(N)c2)N1 Amb32685333 [0,1,0,0,0,1|2,0,0]=4 2643 B15R2.30 CC1CCCC(c2cccc(O)c2)N1 Amb33038806 [0,1,0,0,0,1|2,0,0]=4 2644 B15R2.30 CC1CCCN(c2cncc(Br)c2)C1 Amb20617826 [0,1,0,0,0,1|2,0,0]=4 2645 B15R2.30 CC1CCCN(c2cncc(N)c2)C1 Amb20617827 [0,1,0,0,0,1|2,0,0]=4 2646 B15R2.30 CC1CCCN(c2cncc(O)c2)C1 Amb20617828 [0,1,0,0,0,1|2,0,0]=4 2647 B15R2.30 CC1CCNC(c2cncc(F)c2)C1 Amb27817791 [0,1,0,0,0,1|2,0,0]=4 2648 B15R2.30 CN1CCCC(c2cccc(Br)c2)C1 Amb28125712 [0,1,0,0,0,1|1,0,0]=3 2649 B15R2.30 CN1CCCC(c2cccc(Br)n2)C1 Amb20061750 [0,1,0,0,0,1|2,0,0]=4 2650 B15R2.30 CN1CCCC(c2cccc(O)c2)C1 Amb18650914 [0,1,0,0,0,1|1,0,0]=3 2651 B15R2.30 CN1CCC[C@@H](c2cccc(O)c2)C1 Amb27972963 [0,1,0,0,0,1|1,0,0]=3 2652 B15R2.30 CN1CCC[C@H](c2cccc(O)c2)C1 Amb27762501 [0,1,0,0,0,1|1,0,0]=3 2653 B15R2.30 CN1CCNC(c2cccc(Br)c2)C1 Amb18585228 [0,1,0,0,0,1|2,0,0]=4 2654 B15R2.30 CN1CCNC(c2cccc(Cl)c2)C1 Amb18569218 [0,1,0,0,0,1|2,0,0]=4 2655 B15R2.30 CN1CCOC(c2cccc(Br)c2)C1 Amb17507070 [0,1,0,0,0,1|2,0,0]=4 2656 B15R2.30 CN1CCOC(c2cccc(N)c2)C1 Amb18061844 [0,1,0,0,0,1|2,0,0]=4 2657 B15R2.30 CN1CCOC(c2cccc(O)c2)C1 Amb18064243 [0,1,0,0,0,1|2,0,0]=4 2658 B15R2.30 CN1CCSC(c2cccc(O)c2)C1 Amb18656627 [0,1,0,0,0,1|2,0,0]=4 2659 B15R2.30 Cc1cccc(C2CCCC(C)C2)c1 Amb22736103 [0,1,0,0,0,1|2,0,0]=4 2660 B15R2.30 Cc1cccc(C2CCCC(C)N2)c1 Amb27806505 [0,1,0,0,0,1|2,0,0]=4 2661 B15R2.30 Cc1cccc(C2CCCN(N)C2)c1 Amb27763650 [0,1,0,0,0,1|2,0,0]=4 2662 B15R2.30 Cc1cccc(C2CN(C)CCN2)c1 Amb18564804 [0,1,0,0,0,1|2,0,0]=4 2663 B15R2.30 Cc1cncc(C2CCCC(=O)C2)c1 Amb27851012 [0,1,0,0,0,1|2,0,0]=4 2664 B15R2.30 Cc1cncc(C2CCCC(O)C2)c1 Amb27667447 [0,1,0,0,0,1|2,0,0]=4 2665 B15R2.30 Fc1cncc(C2CCCC(Cl)C2)c1 Amb27494339 [0,1,0,0,0,1|2,0,0]=4 2666 B15R2.30 NC1CCCC(c2cncc(Br)c2)C1 Amb28252890 [0,1,0,0,0,1|2,0,0]=4 2667 B15R2.30 NN1CCCC(c2cccc(Br)c2)C1 Amb25739597 [0,1,0,0,0,1|2,0,0]=4 2668 B15R2.30 NN1CCCC(c2cccc(Cl)c2)C1 Amb28125708 [0,1,0,0,0,1|2,0,0]=4 2669 B15R2.30 NN1CCCC(c2cccc(F)c2)C1 Amb28289673 [0,1,0,0,0,1|2,0,0]=4 2670 B15R2.32 CC1C(c2ccccc2)CCCN1C Amb27205208 [0,1,0,0,0,1|1,0,0]=3 2671 B15R2.32 CC1C(c2ccccc2)OCCN1C Amb2697097 [0,1,0,0,0,1|2,0,0]=4 2672 B15R2.32 CC1C(c2ccccc2)OCCN1C Amb31271259 [0,1,0,0,0,1|2,0,0]=4 2673 B15R2.32 CN1CCNC(c2ccccc2)C1=O Amb18564749 [0,1,0,0,0,1|2,0,0]=4 2674 B15R2.32 CN1CCNC(c2ccccc2)C1=O Amb33718661 [0,1,0,0,0,1|2,0,0]=4 2675 B15R2.32 CN1CCNC(c2cccnc2)C1=O Amb26933438 [0,1,0,0,0,1|1,0,0]=3 2676 B15R2.32 C[C@@H]1CNCC(c2cccnc2)N1C Amb18817990 [0,1,0,0,0,1|2,0,0]=4 2677 B15R2.32 C[C@H]1CNCC(c2cccnc2)N1C Amb27814692 [0,1,0,0,0,1|2,0,0]=4 2678 B15R2.33 CC1CCC(=O)CC1c2cccnc2 Amb32865325 [0,1,0,0,0,1|2,0,0]=4 2679 B15R2.33 CC1CCC(Br)CC1c2cccnc2 Amb32866018 [0,1,0,0,0,1|2,0,0]=4 2680 B15R2.33 CC1CCC(Cl)CC1c2cccnc2 Amb32865793 [0,1,0,0,0,1|2,0,0]=4 2681 B15R2.33 CC1CCC(N)C(c2ccccc2)N1 Amb27482711 [0,1,0,0,0,1|2,0,0]=4 2682 B15R2.33 CC1CCC(N)C(c2cncnc2)N1 Amb33275509 [0,1,0,0,0,1|2,0,0]=4 2683 B15R2.33 CC1CCC(N)CC1c2cccnc2 Amb32866210 [0,1,0,0,0,1|2,0,0]=4 2684 B15R2.33 CN1CCC(=O)C(c2ccccc2)C1 Amb21963612 [0,1,0,0,0,1|1,0,1]=4 2685 B15R2.33 CN1CCC(O)C(c2ccccc2)C1 Amb28048303 [0,1,0,0,0,1|1,0,0]=3 2686 B15R2.33 CN1CCN(N)C(c2ccccc2)C1 Amb27964368 [0,1,0,0,0,1|2,0,0]=4 2687 B15R2.33 CN1CC[C@H](N)[C@H](c2ccccc2)C1 Amb27632406 [0,1,0,0,0,1|1,0,0]=3 2688 B15R2.33 C[C@H]1CCC(N)[C@H](c2ccccc2)N1 Amb28195304 [0,1,0,0,0,1|2,0,0]=4 2689 B15R2.33 NC1CCC(=O)NC1c2cccnc2 Amb17401519 [0,1,0,0,0,1|2,0,0]=4 2690 B15R2.94 CC1CC(c2ccccc2)CCC1Cl Amb27197771 [0,1,0,0,0,1|2,0,0]=4 2691 B15R2.94 CC1CC(c2ccccc2)CCC1O Amb19078368 [0,1,0,0,0,1|2,0,0]=4 2692 B15R2.94 CC1NC(c2ccccc2)CCC1N Amb33275364 [0,1,0,0,0,1|2,0,0]=4 2693 B15R2.94 CC1NC(c2cncnc2)CCC1N Amb33275508 [0,1,0,0,0,1|2,0,0]=4 2694 B15R2.94 CN1CC(c2cccnc2)NCC1=O Amb24507187 [0,1,0,0,0,1|1,0,1]=4 2695 B15R2.94 C[C@@H]1CNC(c2ccccc2)CN1C Amb18819064 [0,1,0,0,0,1|2,0,0]=4 2696 B15R2.94 C[C@@H]1CN[C@H](c2ccccc2)CN1C Amb27844115 [0,1,0,0,0,1|2,0,0]=4 2697 B15R2.94 C[C@H]1CNC(c2ccccc2)CN1C Amb27182047 [0,1,0,0,0,1|2,0,0]=4 2698 B15R2.332 CC1CCCC(c2ccccc2N)C1 Amb32653661 [0,1,0,0,0,1|2,0,0]=4 2699 B15R2.332 CC1CCCN(c2cccnc2Br)C1 Amb24321088 [0,1,0,0,0,1|2,0,0]=4 2700 B15R2.332 CC1CCCN(c2cccnc2N)C1 Amb24321089 [0,1,0,0,0,1|2,0,0]=4 2701 B15R2.332 CC1CCCN(c2cnccc2Br)C1 Amb24320948 [0,1,0,0,0,1|2,0,0]=4 2702 B15R2.332 CC1CCCN(c2cnccc2N)C1 Amb24320949 [0,1,0,0,0,1|2,0,0]=4 2703 B15R2.332 CN1CCCC(c2nccnc2Cl)C1 Amb20061755 [0,1,0,0,0,1|1,0,0]=3 2704 B15R2.332 CN1CCNC(c2ccccc2Cl)C1 Amb18569217 [0,1,0,0,0,1|2,0,0]=4 2705 B15R2.332 CN1CCNC(c2ccccc2F)C1 Amb18565532 [0,1,0,0,0,1|2,0,0]=4 2706 B15R2.332 CN1CCNC(c2cncnc2O)C1 Amb18814800 [0,1,0,0,0,1|2,0,0]=4 2707 B15R2.332 CN1CCOC(c2ccccc2Br)C1 Amb17507076 [0,1,0,0,0,1|2,0,0]=4 2708 B15R2.332 CN1CCOC(c2ccccc2O)C1 Amb18064244 [0,1,0,0,0,1|2,0,0]=4 2709 B15R2.332 Cc1ccccc1C2CCCC(C)C2 Amb22737768 [0,1,0,0,0,1|2,0,0]=4 2710 B15R2.332 Cc1ccccc1C2CCCN(N)C2 Amb24672489 [0,1,0,0,0,1|2,0,0]=4 2711 B15R2.332 Cc1ccccc1C2CN(C)CCN2 Amb18564803 [0,1,0,0,0,1|2,0,0]=4 2712 B15R2.332 Cc1ccncc1C2CCCC(=O)C2 Amb27417750 [0,1,0,0,0,1|2,0,0]=4 2713 B15R2.332 Cc1ncncc1C2CN(C)CCN2 Amb18816889 [0,1,0,0,0,1|2,0,0]=4 2714 B15R2.332 NC1CCCC(c2cccnc2F)C1 Amb27410571 [0,1,0,0,0,1|2,0,0]=4 2715 B15R2.332 NC1CCCC(c2cccnc2O)C1 Amb27811924 [0,1,0,0,0,1|2,0,0]=4 2716 B15R2.332 NN1CCCC(c2ccccc2Br)C1 Amb25852301 [0,1,0,0,0,1|2,0,0]=4 2717 B15R2.332 NN1CCCC(c2ccccc2Cl)C1 Amb24507309 [0,1,0,0,0,1|2,0,0]=4 2718 B15R2.332 NN1CCCC(c2ccccc2F)C1 Amb27456394 [0,1,0,0,0,1|2,0,0]=4 2719 B15R2.332 Nc1ccncc1C2CCCC(Cl)C2 Amb27428520 [0,1,0,0,0,1|2,0,0]=4 2720 B15R2.332 Nc1ncccc1C2CCCC(Br)C2 Amb27761767 [0,1,0,0,0,1|2,0,0]=4 2721 B15R2.332 Nc1ncccc1C2CCCC(O)C2 Amb28399990 [0,1,0,0,0,1|2,0,0]=4 2722 B15R2.332 O=C1CCCC(c2cccnc2Br)C1 Amb27494775 [0,1,0,0,0,1|2,0,0]=4 2723 B15R2.332 O[C@H]1CCC[C@@H](c2cccnc2F)C1 Amb28436737 [0,1,0,0,0,1|2,0,0]=4 2724 B15R2.586 CC1(C)CCCC(c2ccccc2)N1 Amb9782778 [0,1,0,0,0,1|2,0,0]=4 2725 B15R2.586 CC1(C)CNCC(c2cccnc2)N1 Amb18817994 [0,1,0,0,0,1|2,0,0]=4 2726 B15R2.586 CC1(C)COCC(c2cccnc2)N1 Amb18565129 [0,1,0,0,0,1|2,0,0]=4 2727 B15R2.1113 CC1CC(F)(c2cccnc2)CCN1 Amb35684925 [0,1,0,0,0,1|2,0,0]=4 2728 B15R2.1113 CC1CC(O)(c2cccnc2)CCO1 Amb28239405 [0,1,0,0,0,1|2,0,0]=4 2729 B15R2.1113 CC1CCCC(N)(c2cccnn2)C1 Amb27401311 [0,1,0,0,0,1|2,0,0]=4 2730 B15R2.1113 CC1CCCC(N)(c2cnccn2)C1 Amb27949834 [0,1,0,0,0,1|2,0,0]=4 2731 B15R2.1113 CC1CCCC(O)(c2ccccc2)C1 Amb9675875 [0,1,0,0,0,1|2,0,0]=4 2732 B15R2.1113 CC1CCCC(O)(c2cncnc2)C1 Amb19079002 [0,1,0,0,0,1|2,0,0]=4 2733 B15R2.1113 CC1CNCC(F)(c2cccnc2)C1 Amb30018485 [0,1,0,0,0,1|2,0,0]=4 2734 B15R2.1113 CC1CNCC(O)(c2cccnc2)C1 Amb29850169 [0,1,0,0,0,1|2,0,0]=4 2735 B15R2.1113 CN1CCCC(N)(c2ccccc2)C1 Amb26850786 [0,1,0,0,0,1|1,0,0]=3 2736 B15R2.1113 CN1CCCC(N)(c2cccnc2)C1 Amb27747047 [0,1,0,0,0,1|0,0,0]=2 2737 B15R2.1113 CN1CCCC(O)(c2cncnc2)C1 Amb28076054 [0,1,0,0,0,1|1,0,0]=3 2738 B15R2.1113 CN1CCNC(C)(c2ccccc2)C1 Amb24750099 [0,1,0,0,0,1|2,0,0]=4 2739 B15R2.1113 C[C@@H]1CCC[C@@](N)(c2ccccc2)C1 Amb28248069 [0,1,0,0,0,1|2,0,0]=4 2740 B15R2.1113 C[C@H]1CCC[C@](N)(c2ccccc2)C1 Amb28458346 [0,1,0,0,0,1|2,0,0]=4 2741 B15R2.1113 NC1CCCC(O)(c2cccnc2)C1 Amb27864741 [0,1,0,0,0,1|2,0,0]=4 2742 B15R2.21 BrCC1CCCCC1c2ccccc2 Amb24444516 [0,1,0,0,0,1|2,0,0]=4 2743 B15R2.21 BrC[C@@H]1CCCC[C@@H]1c2ccccc2 Amb32664377 [0,1,0,0,0,1|2,0,0]=4 2744 B15R2.21 CCC1CNCCC1c2ccccc2 Amb19375562 [0,1,0,0,0,1|2,0,0]=4 2745 B15R2.21 CCC1CNCCC1c2cnccn2 Amb27755735 [0,1,0,0,0,1|2,0,0]=4 2746 B15R2.21 CCC1NCCOC1c2cccnc2 Amb28290169 [0,1,0,0,0,1|2,0,0]=4 2747 B15R2.21 CCN1CCCCC1c2cccnc2 Amb23444568 [0,1,0,0,0,1|0,0,0]=2 2748 B15R2.21 CCN1CCNCC1c2ccccc2 Amb8010089 [0,1,0,0,0,1|1,0,0]=3 2749 B15R2.21 CCN1CCNCC1c2ccccn2 Amb18565004 [0,1,0,0,0,1|2,0,0]=4 2750 B15R2.21 CCN1CCNCC1c2cccnc2 Amb18565008 [0,1,0,0,0,1|0,0,0]=2 2751 B15R2.21 CCN1CCNCC1c2ccncc2 Amb18565012 [0,1,0,0,0,1|2,0,0]=4 2752 B15R2.21 CC[C@@H]1CCCN[C@@H]1c2ccccc2 Amb28323174 [0,1,0,0,0,1|2,0,0]=4 2753 B15R2.21 CC[C@@H]1CNCC[C@@H]1c2ccccc2 Amb28196345 [0,1,0,0,0,1|2,0,0]=4 2754 B15R2.21 CNC1=CCCCC1c2ccccc2 Amb27747237 [0,1,0,0,0,1|2,0,0]=4 2755 B15R2.21 CNC1CCCCC1c2ccccc2 Amb9620964 [0,1,0,0,0,1|2,0,0]=4 2756 B15R2.21 CNC1CCCCC1c2cnccn2 Amb27639910 [0,1,0,0,0,1|2,0,0]=4 2757 B15R2.21 CN[C@@H]1CCCC[C@@H]1c2ccccc2 Amb27788474 [0,1,0,0,0,1|2,0,0]=4 2758 B15R2.21 CN[C@H]1CCCO[C@@H]1c2ccccc2 Amb28325105 [0,1,0,0,0,1|2,0,0]=4 2759 B15R2.21 CN[C@H]1CCCO[C@H]1c2ccccc2 Amb27199746 [0,1,0,0,0,1|2,0,0]=4 2760 B15R2.21 ClCC1CCCCC1c2ccccc2 Amb28071046 [0,1,0,0,0,1|2,0,0]=4 2761 B15R2.21 ClCC1CCCOC1c2cncnc2 Amb28347335 [0,1,0,0,0,1|2,0,0]=4 2762 B15R2.21 N#CC1CCCCC1c2cccnc2 Amb17578449 [0,1,0,0,0,1|1,0,1]=4 2763 B15R2.21 NCC1CCCCC1c2ccccc2 Amb17578510 [0,1,0,0,0,1|2,0,0]=4 2764 B15R2.21 NCC1CCCNC1c2ccccc2 Amb25276357 [0,1,0,0,0,1|2,0,0]=4 2765 B15R2.21 NCC1CCCNC1c2cncnc2 Amb33275517 [0,1,0,0,0,1|2,0,0]=4 2766 B15R2.21 NCC1CCCOC1c2ccccc2 Amb10609507 [0,1,0,0,0,1|2,0,0]=4 2767 B15R2.21 NCC1CCCOC1c2cccnc2 Amb28345849 [0,1,0,0,0,1|1,0,0]=3 2768 B15R2.21 NCC1CCCOC1c2cncnc2 Amb27444301 [0,1,0,0,0,1|2,0,0]=4 2769 B15R2.21 NC[C@@H]1CCCN[C@H]1c2ccccc2 Amb18819062 [0,1,0,0,0,1|2,0,0]=4 2770 B15R2.21 NC[C@@H]1CCCN[C@H]1c2cccnc2 Amb18817995 [0,1,0,0,0,1|1,0,0]=3 2771 B15R2.21 O=CN1CC=CC[C@H]1c2cccnc2 Amb35749755 [0,1,0,0,0,1|0,0,2]=4 2772 B15R2.21 O=CN1CCCCC1c2cccnc2 Amb27759554 [0,1,0,0,0,1|0,0,1]=3 2773 B15R2.21 O=CN1CCCC[C@H]1c2cccnc2 Amb28066472 [0,1,0,0,0,1|0,0,1]=3 2774 B15R2.21 O=NN1CC=CCC1c2cccnc2 Amb17618562 [0,1,0,0,0,1|1,0,1]=4 2775 B15R2.21 O=NN1CC=CC[C@@H]1c2cccnc2 Amb26577171 [0,1,0,0,0,1|1,0,1]=4 2776 B15R2.21 O=NN1CCCC[C@@H]1c2cccnc2 Amb27667989 [0,1,0,0,0,1|1,0,0]=3 2777 B15R2.21 O=NN1CCCC[C@H]1c2cccnc2 Amb24526110 [0,1,0,0,0,1|1,0,0]=3 2778 B15R2.21 OCC1CCCCC1c2ccccc2 Amb27851386 [0,1,0,0,0,1|2,0,0]=4 2779 B15R2.21 OCC1CCCCN1c2cccnc2 Amb22495125 [0,1,0,0,0,1|2,0,0]=4 2780 B15R2.21 OCC1CCNCC1c2ccccc2 Amb26988672 [0,1,0,0,0,1|2,0,0]=4 2781 B15R2.21 OCC1CCNCC1c2ccccc2 Amb28653256 [0,1,0,0,0,1|2,0,0]=4 2782 B15R2.21 OCC1CNCCC1c2ccccc2 Amb25938885 [0,1,0,0,0,1|2,0,0]=4 2783 B15R2.21 OCC1NCCCC1c2ccccc2 Amb24117195 [0,1,0,0,0,1|2,0,0]=4 2784 B15R2.21 OC[C@@H]1CCCC[C@@H]1c2ccccc2 Amb27981689 [0,1,0,0,0,1|2,0,0]=4 2785 B15R2.21 OC[C@@H]1CCCC[C@H]1c2ccccc2 Amb27467459 [0,1,0,0,0,1|2,0,0]=4 2786 B15R2.21 OC[C@@H]1CNCC[C@@H]1c2ccccc2 Amb24356807 [0,1,0,0,0,1|2,0,0]=4 2787 B15R2.21 OC[C@@H]1CNCC[C@H]1c2ccccc2 Amb25168894 [0,1,0,0,0,1|2,0,0]=4 2788 B15R2.21 OC[C@H]1CCCC[C@H]1c2ccccc2 Amb28292443 [0,1,0,0,0,1|2,0,0]=4 2789 B15R2.21 OC[C@H]1CNCC[C@@H]1c2ccccc2 Amb27637618 [0,1,0,0,0,1|2,0,0]=4 2790 B15R2.21 OC[C@H]1CNCC[C@H]1c2ccccc2 Amb26405295 [0,1,0,0,0,1|2,0,0]=4 2791 B15R2.308 CC1CCCCC1c2ccc(N)cc2 Amb32653671 [0,1,0,0,0,1|2,0,0]=4 2792 B15R2.308 CC1CCCCC1c2ccc(O)cc2 Amb27227128 [0,1,0,0,0,1|2,0,0]=4 2793 B15R2.308 CC1CCCCN1c2ccc(Br)nc2 Amb20617933 [0,1,0,0,0,1|2,0,0]=4 2794 B15R2.308 CC1CCCCN1c2ccc(N)nc2 Amb6679543 [0,1,0,0,0,1|2,0,0]=4 2795 B15R2.308 CC1CCCNC1c2ccc(F)cc2 Amb6268495 [0,1,0,0,0,1|2,0,0]=4 2796 B15R2.308 CC1CNCCC1c2ccc(Cl)cc2 Amb27629500 [0,1,0,0,0,1|2,0,0]=4 2797 B15R2.308 CC1CNCCC1c2ccc(I)cc2 Amb27228465 [0,1,0,0,0,1|2,0,0]=4 2798 B15R2.308 CC1CNCCN1c2ccc(Br)nc2 Amb28428305 [0,1,0,0,0,1|2,0,0]=4 2799 B15R2.308 CN1CCCCC1C2=CNC(=O)C=C2 Amb19373872 [0,1,0,0,0,1|0,0,1]=3 2800 B15R2.308 CN1CCCCC1c2ccc(Br)nc2 Amb23444863 [0,1,0,0,0,1|0,0,0]=2 2801 B15R2.308 CN1CCCCC1c2ccc(Cl)nc2 Amb19373873 [0,1,0,0,0,1|0,0,0]=2 2802 B15R2.308 CN1CCCCC1c2ccc(N)nc2 Amb17595004 [0,1,0,0,0,1|0,0,0]=2 2803 B15R2.308 CN1CCCCC1c2ccc(S)nc2 Amb23508020 [0,1,0,0,0,1|0,0,0]=2 2804 B15R2.308 CN1CCNCC1c2ccc(Br)cc2 Amb17062793 [0,1,0,0,0,1|1,0,0]=3 2805 B15R2.308 CN1CCNCC1c2ccc(Br)cn2 Amb33477128 [0,1,0,0,0,1|2,0,0]=4 2806 B15R2.308 CN1CCNCC1c2ccc(Br)nc2 Amb25844540 [0,1,0,0,0,1|0,0,0]=2 2807 B15R2.308 CN1CCNCC1c2ccc(Cl)cc2 Amb17062774 [0,1,0,0,0,1|1,0,0]=3 2808 B15R2.308 CN1CCNCC1c2ccc(Cl)nc2 Amb33261463 [0,1,0,0,0,1|0,0,0]=2 2809 B15R2.308 CN1CCNCC1c2ccc(F)cc2 Amb8010094 [0,1,0,0,0,1|1,0,0]=3 2810 B15R2.308 CN1CCNCC1c2ccc(F)cn2 Amb33316217 [0,1,0,0,0,1|2,0,0]=4 2811 B15R2.308 CN1CCNCC1c2ccc(F)nc2 Amb33426548 [0,1,0,0,0,1|0,0,0]=2 2812 B15R2.308 CN1CCNCC1c2ccc(N)nc2 Amb18816954 [0,1,0,0,0,1|0,0,0]=2 2813 B15R2.308 CN1CCNCC1c2ccc(O)cc2 Amb17062790 [0,1,0,0,0,1|1,0,0]=3 2814 B15R2.308 CN1CCNCC1c2ccc(O)nc2 Amb27841455 [0,1,0,0,0,1|0,0,0]=2 2815 B15R2.308 CN1CCOCC1c2ccc(Br)cc2 Amb18064239 [0,1,0,0,0,1|1,0,0]=3 2816 B15R2.308 CN1CCOCC1c2ccc(N)cc2 Amb18064237 [0,1,0,0,0,1|1,0,0]=3 2817 B15R2.308 CN1CCOC[C@@H]1c2ccc(N)cc2 Amb28139721 [0,1,0,0,0,1|1,0,0]=3 2818 B15R2.308 C[C@@H]1CCNC[C@@H]1c2ccc(O)cc2 Amb33741895 [0,1,0,0,0,1|2,0,0]=4 2819 B15R2.308 C[C@@H]1CCNC[C@@H]1c2ccc(O)cc2 Amb33741896 [0,1,0,0,0,1|2,0,0]=4 2820 B15R2.308 C[C@@H]1COCCN1c2ccc(Br)nc2 Amb27171767 [0,1,0,0,0,1|2,0,0]=4 2821 B15R2.308 C[C@H]1CNCC[C@@H]1c2ccc(O)cc2 Amb8391146 [0,1,0,0,0,1|2,0,0]=4 2822 B15R2.308 Cc1ccc(C2CCCCC2=O)cn1 Amb27663063 [0,1,0,0,0,1|2,0,0]=4 2823 B15R2.308 Cc1ccc(C2CCCCC2Br)cn1 Amb27418803 [0,1,0,0,0,1|2,0,0]=4 2824 B15R2.308 Cc1ccc(C2CCCCC2C)cc1 Amb22737767 [0,1,0,0,0,1|2,0,0]=4 2825 B15R2.308 Cc1ccc(C2CCCCC2O)cn1 Amb24521145 [0,1,0,0,0,1|2,0,0]=4 2826 B15R2.308 Cc1ccc(C2CCCCN2N)cc1 Amb24507463 [0,1,0,0,0,1|2,0,0]=4 2827 B15R2.308 Cc1ccc(C2CNCCC2=O)cn1 Amb18819177 [0,1,0,0,0,1|2,0,0]=4 2828 B15R2.308 Cc1ccc(C2CNCCN2C)cc1 Amb17062770 [0,1,0,0,0,1|1,0,0]=3 2829 B15R2.308 Cc1ccc(C2CNCCN2C)cn1 Amb32878625 [0,1,0,0,0,1|0,0,0]=2 2830 B15R2.308 Cc1ccc(C2CNCCN2C)nc1 Amb33198871 [0,1,0,0,0,1|2,0,0]=4 2831 B15R2.308 Cc1ccc(C2NCCCC2C)cc1 Amb9729527 [0,1,0,0,0,1|2,0,0]=4 2832 B15R2.308 Cc1ccc(N2CCNCC2C)cn1 Amb27612465 [0,1,0,0,0,1|2,0,0]=4 2833 B15R2.308 Cc1ccc([C@@H]2CCCC[C@@H]2O)cn1 Amb24578402 [0,1,0,0,0,1|2,0,0]=4 2834 B15R2.308 Cc1ccc([C@@H]2CCCC[C@H]2O)cn1 Amb27213257 [0,1,0,0,0,1|2,0,0]=4 2835 B15R2.308 Cc1ccc([C@H]2OCCC[C@@H]2N)cn1 Amb27879998 [0,1,0,0,0,1|2,0,0]=4 2836 B15R2.308 Cc1cnc(C2CNCCN2C)cn1 Amb33375085 [0,1,0,0,0,1|1,0,0]=3 2837 B15R2.308 FC1CNCCC1c2ccc(Br)nc2 Amb27802913 [0,1,0,0,0,1|2,0,0]=4 2838 B15R2.308 FC1CNCCC1c2ccc(Cl)nc2 Amb27182896 [0,1,0,0,0,1|2,0,0]=4 2839 B15R2.308 Fc1ccc(C2CCNCC2F)cn1 Amb28254690 [0,1,0,0,0,1|2,0,0]=4 2840 B15R2.308 NC1CCCOC1c2ccc(O)nc2 Amb28072310 [0,1,0,0,0,1|2,0,0]=4 2841 B15R2.308 NN1CCCCC1c2ccc(Cl)cc2 Amb26605867 [0,1,0,0,0,1|2,0,0]=4 2842 B15R2.308 NN1CCCCC1c2ccc(F)cc2 Amb24397038 [0,1,0,0,0,1|2,0,0]=4 2843 B15R2.308 N[C@H]1CCCO[C@@H]1c2ccc(O)nc2 Amb27845220 [0,1,0,0,0,1|2,0,0]=4 2844 B15R2.308 Nc1ccc(C2CCCCC2=O)cn1 Amb27855552 [0,1,0,0,0,1|2,0,0]=4 2845 B15R2.308 Nc1ccc(C2CCCCC2N)cn1 Amb27776501 [0,1,0,0,0,1|2,0,0]=4 2846 B15R2.308 Nc1ccc(C2CCNCC2F)cn1 Amb27783920 [0,1,0,0,0,1|2,0,0]=4 2847 B15R2.308 O=C1CCCCC1c2ccc(Cl)nc2 Amb27764042 [0,1,0,0,0,1|2,0,0]=4 2848 B15R2.308 O=C1CCNCC1c2ccc(F)nc2 Amb18815180 [0,1,0,0,0,1|2,0,0]=4 2849 B15R2.367 CC1=NCCCC1(O)c2ccccc2 Amb27447309 [0,1,0,0,0,1|2,0,0]=4 2850 B15R2.367 CC1CCCCC1(N)c2cnccn2 Amb28140101 [0,1,0,0,0,1|2,0,0]=4 2851 B15R2.367 CC1CCCCC1(O)c2ccccc2 Amb9675956 [0,1,0,0,0,1|2,0,0]=4 2852 B15R2.367 CC1CCNCC1(O)c2ccccc2 Amb27398483 [0,1,0,0,0,1|2,0,0]=4 2853 B15R2.367 CC1CCNC[C@]1(O)c2ccccc2 Amb27814422 [0,1,0,0,0,1|2,0,0]=4 2854 B15R2.367 CC1CNCCC1(C)c2ccccc2 Amb27597448 [0,1,0,0,0,1|2,0,0]=4 2855 B15R2.367 CC1CNCCC1(F)c2cnccn2 Amb27470545 [0,1,0,0,0,1|2,0,0]=4 2856 B15R2.367 CC1CNCC[C@@]1(O)c2ccccc2 Amb28123582 [0,1,0,0,0,1|2,0,0]=4 2857 B15R2.367 CC1COCCC1(O)c2cccnc2 Amb28321034 [0,1,0,0,0,1|1,0,0]=3 2858 B15R2.367 CC1COCCC1(O)c2cncnc2 Amb28041743 [0,1,0,0,0,1|2,0,0]=4 2859 B15R2.367 CC1NCCCC1(C)c2ccccc2 Amb28078062 [0,1,0,0,0,1|2,0,0]=4 2860 B15R2.367 CC1NCCCC1(F)c2ccccc2 Amb27959251 [0,1,0,0,0,1|2,0,0]=4 2861 B15R2.367 CC1NCCCC1(F)c2cnccn2 Amb27204765 [0,1,0,0,0,1|2,0,0]=4 2862 B15R2.367 CC1NCCCC1(F)c2cncnc2 Amb27959252 [0,1,0,0,0,1|2,0,0]=4 2863 B15R2.367 CC1SCCCC1(O)c2cncnc2 Amb27668630 [0,1,0,0,0,1|2,0,0]=4 2864 B15R2.367 C[C@H]1CCNC[C@]1(O)c2ccccc2 Amb27794445 [0,1,0,0,0,1|2,0,0]=4 2865 B15R2.367 C[C@H]1CNCC[C@]1(C)c2ccccc2 Amb27876014 [0,1,0,0,0,1|2,0,0]=4 2866 B15R2.367 C[C@H]1CNCC[C@]1(O)c2ccccc2 Amb27790757 [0,1,0,0,0,1|2,0,0]=4 2867 B15R2.389 CC1CC(N)CNC1c2ccccc2 Amb33275365 [0,1,0,0,0,1|2,0,0]=4 2868 B15R2.389 CC1CC(N)CNC1c2cncnc2 Amb33275513 [0,1,0,0,0,1|2,0,0]=4 2869 B15R2.389 CC1CN(C)C(c2ccccc2)CN1 Amb17578540 [0,1,0,0,0,1|1,0,0]=3 2870 B15R2.389 CC1CN(C)C(c2cccnc2)CN1 Amb27167625 [0,1,0,0,0,1|0,0,0]=2 2871 B15R2.389 CC1CNC(c2ccccc2)C(C)C1 Amb25985253 [0,1,0,0,0,1|2,0,0]=4 2872 B15R2.389 CC1CNC(c2cncnc2)C(C)C1 Amb33275515 [0,1,0,0,0,1|2,0,0]=4 2873 B15R2.389 C[C@@H]1CN(C)C(c2ccccc2)CN1 Amb18819063 [0,1,0,0,0,1|1,0,0]=3 2874 B15R2.389 C[C@@H]1CN(C)[C@@H](c2ccccc2)CN1 Amb27639256 [0,1,0,0,0,1|1,0,0]=3 2875 B15R2.465 CC1(C)CCCNC1c2ccccc2 Amb27746862 [0,1,0,0,0,1|2,0,0]=4 2876 B15R2.465 CC1(C)CCNCC1c2ccccc2 Amb27814319 [0,1,0,0,0,1|2,0,0]=4 2877 B15R2.465 CC1(C)CCNCC1c2ccccc2 Amb32682466 [0,1,0,0,0,1|2,0,0]=4 2878 B15R2.465 CC1(C)NCCOC1c2cccnc2 Amb18565141 [0,1,0,0,0,1|2,0,0]=4 2879 B15R2.465 CC1(C)OCCNC1c2cccnc2 Amb33216451 [0,1,0,0,0,1|2,0,0]=4 2880 B15R2.465 CC1(F)CCCNC1c2ccccc2 Amb27638224 [0,1,0,0,0,1|2,0,0]=4 2881 B15R2.465 CC1(O)CCCCC1c2ccccc2 Amb9675980 [0,1,0,0,0,1|2,0,0]=4 2882 B15R2.465 CC1(O)CCCCC1c2cccnc2 Amb35669053 [0,1,0,0,0,1|1,0,0]=3 2883 B15R2.465 CC1(O)CCCCC1c2cnccn2 Amb35668886 [0,1,0,0,0,1|2,0,0]=4 2884 B15R2.465 CC1(O)CCCCC1c2cncnc2 Amb35669054 [0,1,0,0,0,1|2,0,0]=4 2885 B15R2.465 C[C@@]1(O)CCCC[C@H]1c2ccccc2 Amb35664230 [0,1,0,0,0,1|2,0,0]=4 2886 B15R2.465 C[C@@]1(O)CCCC[C@H]1c2cccnc2 Amb35664231 [0,1,0,0,0,1|1,0,0]=3 2887 B15R2.465 C[C@@]1(O)CCCC[C@H]1c2cnccn2 Amb35664233 [0,1,0,0,0,1|2,0,0]=4 2888 B15R2.465 C[C@@]1(O)CCCC[C@H]1c2cncnc2 Amb35664232 [0,1,0,0,0,1|2,0,0]=4 2889 B15R2.465 O=S1(=O)CCCCC1c2cccnc2 Amb27948765 [0,1,0,0,0,1|2,0,0]=4 2890 B15R2.541 CC1NCCN(C)C1c2ccccc2 Amb27183482 [0,1,0,0,0,1|1,0,0]=3 2891 B15R2.541 CN1CCCC(N)C1c2ccccc2 Amb27239686 [0,1,0,0,0,1|1,0,0]=3 2892 B15R2.541 CN1CCCC(N)C1c2ccncc2 Amb18818033 [0,1,0,0,0,1|2,0,0]=4 2893 B15R2.541 CN1CCCC(N)C1c2cnccn2 Amb35602963 [0,1,0,0,0,1|1,0,0]=3 2894 B15R2.541 CN1CCCC(N)C1c2cncnc2 Amb28146389 [0,1,0,0,0,1|1,0,0]=3 2895 B15R2.541 CN1CCCC(O)C1c2ccccc2 Amb28294250 [0,1,0,0,0,1|1,0,0]=3 2896 B15R2.541 CN1CCC[C@H](N)[C@H]1c2ccccc2 Amb27427715 [0,1,0,0,0,1|1,0,0]=3 2897 B15R2.541 CN1CCNC(=O)C1c2ccccc2 Amb21520415 [0,1,0,0,0,1|1,0,1]=4 2898 B15R2.541 CN1COC[C@H](O)[C@H]1c2ccccc2 Amb27420473 [0,1,0,0,0,1|1,0,0]=3 2899 B15R2.555 CC1CCCCC1c2ccccc2N Amb32653658 [0,1,0,0,0,1|2,0,0]=4 2900 B15R2.555 CC1CCCCC1c2nccnc2Cl Amb27974346 [0,1,0,0,0,1|2,0,0]=4 2901 B15R2.555 CC1CCCCN1c2cccnc2Br Amb24321086 [0,1,0,0,0,1|2,0,0]=4 2902 B15R2.555 CC1CCCCN1c2cccnc2N Amb24321087 [0,1,0,0,0,1|2,0,0]=4 2903 B15R2.555 CC1CCCCN1c2cnccc2Br Amb24320950 [0,1,0,0,0,1|2,0,0]=4 2904 B15R2.555 CC1CCCCN1c2cnccc2N Amb24320951 [0,1,0,0,0,1|2,0,0]=4 2905 B15R2.555 CC1CCCNC1c2ccccc2Br Amb28062395 [0,1,0,0,0,1|2,0,0]=4 2906 B15R2.555 CC1CCCNC1c2ccccc2F Amb28317944 [0,1,0,0,0,1|2,0,0]=4 2907 B15R2.555 CC1CNCCC1c2ccccc2Br Amb27752434 [0,1,0,0,0,1|2,0,0]=4 2908 B15R2.555 CC1CNCCC1c2ccccc2F Amb27773755 [0,1,0,0,0,1|2,0,0]=4 2909 B15R2.555 CC1CNCCC1c2ccccc2N Amb18819046 [0,1,0,0,0,1|2,0,0]=4 2910 B15R2.555 CC1CNCCN1c2cccnc2Cl Amb27814738 [0,1,0,0,0,1|2,0,0]=4 2911 B15R2.555 CN1CCCCC1c2ccccc2O Amb27612583 [0,1,0,0,0,1|1,0,0]=3 2912 B15R2.555 CN1CCCCC1c2cccnc2Cl Amb23444834 [0,1,0,0,0,1|0,0,0]=2 2913 B15R2.555 CN1CCCCC1c2cccnc2N Amb536108 [0,1,0,0,0,1|0,0,0]=2 2914 B15R2.555 CN1CCCCC1c2cccnc2O Amb23445258 [0,1,0,0,0,1|0,0,0]=2 2915 B15R2.555 CN1CCCCC1c2cccnc2S Amb23508054 [0,1,0,0,0,1|0,0,0]=2 2916 B15R2.555 CN1CCNCC1c2ccccc2Br Amb18693053 [0,1,0,0,0,1|1,0,0]=3 2917 B15R2.555 CN1CCNCC1c2ccccc2Cl Amb17062772 [0,1,0,0,0,1|1,0,0]=3 2918 B15R2.555 CN1CCNCC1c2ccccc2F Amb8010095 [0,1,0,0,0,1|1,0,0]=3 2919 B15R2.555 CN1CCNCC1c2ccccc2O Amb18817034 [0,1,0,0,0,1|1,0,0]=3 2920 B15R2.555 CN1CCNCC1c2cccnc2Br Amb33387454 [0,1,0,0,0,1|0,0,0]=2 2921 B15R2.555 CN1CCNCC1c2cccnc2Cl Amb25313285 [0,1,0,0,0,1|0,0,0]=2 2922 B15R2.555 CN1CCNCC1c2cccnc2F Amb33378309 [0,1,0,0,0,1|0,0,0]=2 2923 B15R2.555 CN1CCNCC1c2ccncc2Br Amb33388244 [0,1,0,0,0,1|2,0,0]=4 2924 B15R2.555 CN1CCNCC1c2ccncc2Cl Amb27182038 [0,1,0,0,0,1|2,0,0]=4 2925 B15R2.555 CN1CCNCC1c2ccncc2F Amb33226930 [0,1,0,0,0,1|2,0,0]=4 2926 B15R2.555 CN1CCNCC1c2ncccc2Br Amb33335716 [0,1,0,0,0,1|2,0,0]=4 2927 B15R2.555 CN1CCNCC1c2ncccc2F Amb33419178 [0,1,0,0,0,1|2,0,0]=4 2928 B15R2.555 Cc1ccccc1C2CCCCC2C Amb22737765 [0,1,0,0,0,1|2,0,0]=4 2929 B15R2.555 Cc1ccccc1C2CCCCN2C Amb28344711 [0,1,0,0,0,1|1,0,0]=3 2930 B15R2.555 Cc1ccccc1C2CCCCN2N Amb27632766 [0,1,0,0,0,1|2,0,0]=4 2931 B15R2.555 Cc1ccccc1C2CNCCN2C Amb17062768 [0,1,0,0,0,1|1,0,0]=3 2932 B15R2.555 Cc1cccnc1C2CNCCN2C Amb33429016 [0,1,0,0,0,1|2,0,0]=4 2933 B15R2.555 Cc1ccncc1C2CCCCC2Br Amb27417709 [0,1,0,0,0,1|2,0,0]=4 2934 B15R2.555 Cc1ccncc1C2CNCCN2C Amb33377091 [0,1,0,0,0,1|0,0,0]=2 2935 B15R2.555 Cc1ccncc1[C@H]2OCCC[C@@H]2N Amb27221413 [0,1,0,0,0,1|2,0,0]=4 2936 B15R2.555 Cc1cnccc1C2CNCCN2C Amb33414503 [0,1,0,0,0,1|2,0,0]=4 2937 B15R2.555 Cc1ncccc1C2CCCCN2C Amb23444722 [0,1,0,0,0,1|0,0,0]=2 2938 B15R2.555 Cc1ncccc1C2CNCCN2C Amb32879659 [0,1,0,0,0,1|0,0,0]=2 2939 B15R2.555 Cc1ncccc1[C@@H]2CCCC[C@H]2O Amb27197467 [0,1,0,0,0,1|2,0,0]=4 2940 B15R2.555 Cc1nccnc1C2CNCCN2C Amb33142499 [0,1,0,0,0,1|1,0,0]=3 2941 B15R2.555 Cc1ncncc1C2CNCCN2C Amb33472483 [0,1,0,0,0,1|1,0,0]=3 2942 B15R2.555 FC1CNCCC1c2cnccc2Br Amb28253138 [0,1,0,0,0,1|2,0,0]=4 2943 B15R2.555 Fc1ncccc1C2CCNCC2F Amb27783890 [0,1,0,0,0,1|2,0,0]=4 2944 B15R2.555 NC1CCCCC1c2cccnc2Br Amb27649027 [0,1,0,0,0,1|2,0,0]=4 2945 B15R2.555 NC1CCCCC1c2cccnc2O Amb27951730 [0,1,0,0,0,1|2,0,0]=4 2946 B15R2.555 NC1CCCCC1c2cnccc2Br Amb27273269 [0,1,0,0,0,1|2,0,0]=4 2947 B15R2.555 NN1CCCCC1c2ccccc2F Amb26955493 [0,1,0,0,0,1|2,0,0]=4 2948 B15R2.555 Nc1ccncc1C2CCNCC2F Amb27182837 [0,1,0,0,0,1|2,0,0]=4 2949 B15R2.555 Nc1ncccc1[C@@H]2CCCC[C@H]2O Amb28064051 [0,1,0,0,0,1|2,0,0]=4 2950 B15R2.555 O=C1CCCCC1c2cccnc2Br Amb27222576 [0,1,0,0,0,1|2,0,0]=4 2951 B15R2.555 O=C1CCNCC1c2cccnc2F Amb18190029 [0,1,0,0,0,1|2,0,0]=4 2952 B15R2.555 O=C1CCNCC1c2cnccc2Cl Amb18773248 [0,1,0,0,0,1|2,0,0]=4 2953 B15R2.118 BrC[C@@H]1CCCN1Cc2cccnc2 Amb35679968 [0,1,0,0,0,1|2,0,0]=4 2954 B15R2.118 BrC[C@H]1CCCN1Cc2cccnc2 Amb30012504 [0,1,0,0,0,1|2,0,0]=4 2955 B15R2.118 CCC1CCCC1Nc2cccnc2 Amb27470494 [0,1,0,0,0,1|1,0,0]=3 2956 B15R2.118 CCC1CCCC1Nc2cncnc2 Amb27408227 [0,1,0,0,0,1|2,0,0]=4 2957 B15R2.118 CCC1COCC1Nc2cccnc2 Amb30027214 [0,1,0,0,0,1|2,0,0]=4 2958 B15R2.118 CNC1CCCC1Cc2ccccc2 Amb19040794 [0,1,0,0,0,1|2,0,0]=4 2959 B15R2.118 CNC1CCCC1Cc2cccnc2 Amb27881411 [0,1,0,0,0,1|1,0,0]=3 2960 B15R2.118 CNC1CCCC1Oc2ccccc2 Amb18982167 [0,1,0,0,0,1|2,0,0]=4 2961 B15R2.118 CNC1COCC1Cc2cccnc2 Amb35608461 [0,1,0,0,0,1|2,0,0]=4 2962 B15R2.118 CN[C@@H]1CCC[C@H]1Oc2ccccc2 Amb28422726 [0,1,0,0,0,1|2,0,0]=4 2963 B15R2.118 CN[C@H]1CCC[C@H]1Oc2ccccc2 Amb28052171 [0,1,0,0,0,1|2,0,0]=4 2964 B15R2.118 COC1CCCC1Nc2cccnn2 Amb18991585 [0,1,0,0,0,1|2,0,0]=4 2965 B15R2.118 COC1CCCC1Oc2ccccc2 Amb27625635 [0,1,0,0,0,1|2,0,0]=4 2966 B15R2.118 CO[C@@H]1CCC[C@H]1Nc2cnccn2 Amb27645664 [0,1,0,0,0,1|2,0,0]=4 2967 B15R2.118 CSC1CCCC1Nc2cnccn2 Amb27648699 [0,1,0,0,0,1|2,0,0]=4 2968 B15R2.118 ClCC1CCCC1Nc2cnccn2 Amb27854335 [0,1,0,0,0,1|2,0,0]=4 2969 B15R2.118 ClCC1CCCN1Cc2cccnc2 Amb27443379 [0,1,0,0,0,1|2,0,0]=4 2970 B15R2.118 ClC[C@@H]1CCCN1Cc2cccnc2 Amb35729636 [0,1,0,0,0,1|2,0,0]=4 2971 B15R2.118 ClC[C@H]1CCCN1Cc2cccnc2 Amb35679786 [0,1,0,0,0,1|2,0,0]=4 2972 B15R2.118 NCC1CCCC1Nc2ccccc2 Amb27834016 [0,1,0,0,0,1|2,0,0]=4 2973 B15R2.118 NCC1CCCC1Oc2cnccn2 Amb27590492 [0,1,0,0,0,1|2,0,0]=4 2974 B15R2.118 NCC1CCCC1Sc2cnccn2 Amb28079423 [0,1,0,0,0,1|2,0,0]=4 2975 B15R2.118 NCC1CCNC1Cc2cccnc2 Amb18818029 [0,1,0,0,0,1|2,0,0]=4 2976 B15R2.118 O=CN1CCCC1Cc2ccccc2 Amb27242959 [0,1,0,0,0,1|1,0,1]=4 2977 B15R2.118 OCC1CCCC1Nc2cccnn2 Amb27594259 [0,1,0,0,0,1|2,0,0]=4 2978 B15R2.118 OCC1CCCN1Cc2cccnc2 Amb5755860 [0,1,0,0,0,1|2,0,0]=4 2979 B15R2.118 OC[C@@H]1CCCN1Cc2cccnc2 Amb27223556 [0,1,0,0,0,1|2,0,0]=4 2980 B15R2.118 OC[C@@H]1CCC[C@@H]1Nc2cnccn2 Amb27477287 [0,1,0,0,0,1|2,0,0]=4 2981 B15R2.325 CN1CC(N)CN1Cc2ccccc2 Amb27878769 [0,1,0,0,0,1|2,0,0]=4 2982 B15R2.335 Brc1cncc(CC2CCCC2Br)c1 Amb27174644 [0,1,0,0,0,1|2,0,0]=4 2983 B15R2.335 CC1CCCC1Nc2cccc(Br)c2 Amb27260552 [0,1,0,0,0,1|2,0,0]=4 2984 B15R2.335 CC1CCCC1Nc2cccc(Cl)c2 Amb27969883 [0,1,0,0,0,1|2,0,0]=4 2985 B15R2.335 CC1CCCC1Nc2cccc(F)c2 Amb27227557 [0,1,0,0,0,1|2,0,0]=4 2986 B15R2.335 CC1CCCC1Nc2cccc(O)c2 Amb28323831 [0,1,0,0,0,1|2,0,0]=4 2987 B15R2.335 CC1CCCC1Nc2cncc(Cl)c2 Amb29857835 [0,1,0,0,0,1|1,0,0]=3 2988 B15R2.335 CC1CCCC1Nc2cncc(Cl)n2 Amb28124445 [0,1,0,0,0,1|2,0,0]=4 2989 B15R2.335 CC1CCCC1Nc2cncc(F)c2 Amb27459299 [0,1,0,0,0,1|1,0,0]=3 2990 B15R2.335 CC1CCCC1Nc2cncc(F)n2 Amb35693547 [0,1,0,0,0,1|2,0,0]=4 2991 B15R2.335 CC1CCCC1Nc2cncc(N)c2 Amb28409245 [0,1,0,0,0,1|1,0,0]=3 2992 B15R2.335 CC1COCC1Nc2cncc(Br)c2 Amb35639101 [0,1,0,0,0,1|2,0,0]=4 2993 B15R2.335 CC1COCC1Nc2cncc(Cl)c2 Amb30027223 [0,1,0,0,0,1|2,0,0]=4 2994 B15R2.335 CC1COCC1Nc2cncc(F)c2 Amb35639073 [0,1,0,0,0,1|2,0,0]=4 2995 B15R2.335 CC1COCC1Nc2cncc(N)c2 Amb35632786 [0,1,0,0,0,1|2,0,0]=4 2996 B15R2.335 CC1CSCC1Nc2cncc(Cl)c2 Amb29857860 [0,1,0,0,0,1|2,0,0]=4 2997 B15R2.335 CC1CSCC1Nc2cncc(N)c2 Amb28195537 [0,1,0,0,0,1|2,0,0]=4 2998 B15R2.335 CC1OCCC1Nc2cncc(Cl)c2 Amb29857847 [0,1,0,0,0,1|2,0,0]=4 2999 B15R2.335 CC1SCCC1Nc2cncc(Cl)c2 Amb29857856 [0,1,0,0,0,1|2,0,0]=4 3000 B15R2.335 CN1CCCC1Cc2cccc(O)c2 Amb27861337 [0,1,0,0,0,1|1,0,0]=3 3001 B15R2.335 CN1CCC\C1=N/c2cccc(N)c2 Amb27983783 [0,1,0,0,0,1|1,0,1]=4 3002 B15R2.335 CN1CCN=C1Nc2cncc(Cl)c2 Amb35721239 [0,1,0,0,0,1|1,0,1]=4 3003 B15R2.335 C[C@H]1OCC[C@H]1Nc2cncc(Br)c2 Amb27420912 [0,1,0,0,0,1|2,0,0]=4 3004 B15R2.335 Cc1cccc(NC2CCCC2C)c1 Amb26418124 [0,1,0,0,0,1|2,0,0]=4 3005 B15R2.335 Cc1cncc(CC2CCCC2O)c1 Amb27772800 [0,1,0,0,0,1|2,0,0]=4 3006 B15R2.335 Cc1cncc(NC2CCCC2C)n1 Amb27766183 [0,1,0,0,0,1|2,0,0]=4 3007 B15R2.335 Cc1cncc(NC2COCC2C)c1 Amb35635915 [0,1,0,0,0,1|2,0,0]=4 3008 B15R2.335 Cc1cncc(NC2CSCC2C)c1 Amb27173306 [0,1,0,0,0,1|2,0,0]=4 3009 B15R2.335 Cc1cnnc(NC2CCCC2C)c1 Amb27782981 [0,1,0,0,0,1|2,0,0]=4 3010 B15R2.335 ClC1CCCC1Cc2cncc(Br)c2 Amb28063111 [0,1,0,0,0,1|2,0,0]=4 3011 B15R2.335 NC1CCCC1Oc2cncc(Br)c2 Amb35714490 [0,1,0,0,0,1|2,0,0]=4 3012 B15R2.335 NC1CCCC1Oc2cncc(Cl)c2 Amb29850648 [0,1,0,0,0,1|2,0,0]=4 3013 B15R2.335 OC1CCCC1Nc2cncc(Br)c2 Amb24271611 [0,1,0,0,0,1|2,0,0]=4 3014 B15R2.335 OC1CCCC1Nc2cncc(Cl)c2 Amb29864875 [0,1,0,0,0,1|2,0,0]=4 3015 B15R2.335 O[C@@H]1CCC[C@H]1Nc2cncc(Br)c2 Amb25859907 [0,1,0,0,0,1|2,0,0]=4 3016 B15R2.335 O[C@@H]1CCC[C@H]1Nc2cncc(Cl)c2 Amb29864743 [0,1,0,0,0,1|2,0,0]=4 3017 B15R2.335 O[C@@H]1CCC[C@H]1Oc2cncc(Cl)c2 Amb27448227 [0,1,0,0,0,1|2,0,0]=4 3018 B15R2.335 O[C@@H]1CCC[C@H]1Oc2cncc(F)c2 Amb27177422 [0,1,0,0,0,1|2,0,0]=4 3019 B15R2.335 O[C@H]1CCC[C@@H]1Nc2cncc(Cl)c2 Amb29864880 [0,1,0,0,0,1|2,0,0]=4 3020 B15R2.335 O[C@H]1CCC[C@@H]1Oc2cncc(Cl)c2 Amb27812698 [0,1,0,0,0,1|2,0,0]=4 3021 B15R2.335 O[C@H]1CCC[C@@H]1Oc2cncc(F)c2 Amb27177423 [0,1,0,0,0,1|2,0,0]=4 3022 B15R2.355 CC1CCC(C)C1Nc2cccnn2 Amb27604181 [0,1,0,0,0,1|2,0,0]=4 3023 B15R2.355 CC1CCC(O)C1Nc2ccccc2 Amb27750830 [0,1,0,0,0,1|2,0,0]=4 3024 B15R2.355 CC1OCC(O)C1Cc2cccnc2 Amb30015472 [0,1,0,0,0,1|2,0,0]=4 3025 B15R2.355 CN1CCC(=O)[C@@H]1Cc2ccccc2 Amb18820037 [0,1,0,0,0,1|1,0,1]=4 3026 B15R2.355 CN1CCC(N)[C@@H]1Cc2ccccc2 Amb18819066 [0,1,0,0,0,1|1,0,0]=3 3027 B15R2.355 CN1CCN(C)C1Oc2ccccc2 Amb10838326 [0,1,0,0,0,1|2,0,0]=4 3028 B15R2.355 CN1CCN(C)C1Oc2ccccc2 Amb27221229 [0,1,0,0,0,1|2,0,0]=4 3029 B15R2.359 CC1CCCC1Nc2ccccc2Cl Amb27417547 [0,1,0,0,0,1|2,0,0]=4 3030 B15R2.359 CC1CCCC1Nc2ccccc2F Amb25287096 [0,1,0,0,0,1|2,0,0]=4 3031 B15R2.359 CC1CCCC1Nc2ccccc2N Amb27869188 [0,1,0,0,0,1|2,0,0]=4 3032 B15R2.359 CC1CCCC1Nc2cccnc2F Amb35714033 [0,1,0,0,0,1|1,0,0]=3 3033 B15R2.359 CC1CCCC1Nc2cnccc2Cl Amb28396986 [0,1,0,0,0,1|1,0,0]=3 3034 B15R2.359 CC1CCCC1Nc2nccnc2F Amb29866428 [0,1,0,0,0,1|2,0,0]=4 3035 B15R2.359 CC1CCCC1Nc2nccnc2N Amb27875954 [0,1,0,0,0,1|2,0,0]=4 3036 B15R2.359 CC1COCC1Nc2cccnc2Br Amb35639100 [0,1,0,0,0,1|2,0,0]=4 3037 B15R2.359 CC1COCC1Nc2cccnc2Cl Amb30027369 [0,1,0,0,0,1|2,0,0]=4 3038 B15R2.359 CC1COCC1Nc2cccnc2F Amb29878593 [0,1,0,0,0,1|2,0,0]=4 3039 B15R2.359 CC1COCC1Nc2cccnc2N Amb35632751 [0,1,0,0,0,1|2,0,0]=4 3040 B15R2.359 CC1COCC1Nc2cnccc2Cl Amb30027370 [0,1,0,0,0,1|2,0,0]=4 3041 B15R2.359 CC1COCC1Nc2cnccc2N Amb35632752 [0,1,0,0,0,1|2,0,0]=4 3042 B15R2.359 CC1CSCC1Nc2cccnc2Br Amb28067863 [0,1,0,0,0,1|2,0,0]=4 3043 B15R2.359 CC1CSCC1Nc2cccnc2F Amb35701876 [0,1,0,0,0,1|2,0,0]=4 3044 B15R2.359 CC1CSCC1Nc2cccnc2N Amb27236018 [0,1,0,0,0,1|2,0,0]=4 3045 B15R2.359 CC1CSCC1Nc2cnccc2Cl Amb27859928 [0,1,0,0,0,1|2,0,0]=4 3046 B15R2.359 CC1OCCC1Nc2cccnc2F Amb35714050 [0,1,0,0,0,1|2,0,0]=4 3047 B15R2.359 CC1OCCC1Nc2cccnc2N Amb28461374 [0,1,0,0,0,1|2,0,0]=4 3048 B15R2.359 CC1SCCC1Nc2cccnc2Cl Amb27162518 [0,1,0,0,0,1|2,0,0]=4 3049 B15R2.359 CC1SCCC1Nc2cccnc2F Amb35701872 [0,1,0,0,0,1|2,0,0]=4 3050 B15R2.359 CN1CCCC1CN2C=CC=NC2=O Amb27244047 [0,1,0,0,0,1|1,0,0]=3 3051 B15R2.359 CN1CCCC1Cc2ccccc2N Amb18064907 [0,1,0,0,0,1|1,0,0]=3 3052 B15R2.359 CN1CCCC1Cc2cccnc2Cl Amb27603562 [0,1,0,0,0,1|0,0,0]=2 3053 B15R2.359 Cc1ccccc1NC2CCCC2C Amb24452759 [0,1,0,0,0,1|2,0,0]=4 3054 B15R2.359 Cc1ccccc1NC2CCCN2C Amb27746867 [0,1,0,0,0,1|1,0,0]=3 3055 B15R2.359 Cc1ccncc1NC2CCCC2C Amb26490793 [0,1,0,0,0,1|1,0,0]=3 3056 B15R2.359 Cc1ccncc1NC2CCOC2C Amb24436084 [0,1,0,0,0,1|2,0,0]=4 3057 B15R2.359 Cc1ccncc1NC2CCSC2C Amb27495173 [0,1,0,0,0,1|2,0,0]=4 3058 B15R2.359 Cc1ccncc1NC2COCC2C Amb35635936 [0,1,0,0,0,1|2,0,0]=4 3059 B15R2.359 Cc1ccncc1N[C@@H]2CCC[C@H]2O Amb34931141 [0,1,0,0,0,1|2,0,0]=4 3060 B15R2.359 Cc1ncccc1NC2CCCC2C Amb24673478 [0,1,0,0,0,1|1,0,0]=3 3061 B15R2.359 Cc1ncccc1NC2CCOC2C Amb26899588 [0,1,0,0,0,1|2,0,0]=4 3062 B15R2.359 Cc1ncccc1NC2COCC2C Amb35635925 [0,1,0,0,0,1|2,0,0]=4 3063 B15R2.359 Cc1ncccc1O[C@@H]2CCC[C@H]2O Amb26452773 [0,1,0,0,0,1|2,0,0]=4 3064 B15R2.359 Cc1ncccc1O[C@H]2CCC[C@@H]2O Amb28256129 [0,1,0,0,0,1|2,0,0]=4 3065 B15R2.359 Nc1ccncc1NC2CCCC2O Amb27483225 [0,1,0,0,0,1|2,0,0]=4 3066 B15R2.388 CC1(C)CCCC1Nc2cnccn2 Amb27244373 [0,1,0,0,0,1|2,0,0]=4 3067 B15R2.388 CC1(C)COCC1Nc2cccnc2 Amb28121315 [0,1,0,0,0,1|2,0,0]=4 3068 B15R2.388 CC1(C)OCCC1Nc2cccnc2 Amb27822850 [0,1,0,0,0,1|2,0,0]=4 3069 B15R2.388 CC1(O)CCCC1Nc2ccccc2 Amb28135486 [0,1,0,0,0,1|2,0,0]=4 3070 B15R2.388 CC1(O)CCCC1Oc2cccnc2 Amb28344473 [0,1,0,0,0,1|1,0,0]=3 3071 B15R2.395 CC1CCCC1C(Br)c2ccccc2 Amb27238343 [0,1,0,0,0,1|2,0,0]=4 3072 B15R2.395 CC1CNCC1C(=O)c2cccnc2 Amb27173103 [0,1,0,0,0,1|2,0,0]=4 3073 B15R2.395 CC1CNCC1C(O)c2cccnc2 Amb29875020 [0,1,0,0,0,1|2,0,0]=4 3074 B15R2.395 CC1NCCC1C(=O)c2cccnc2 Amb28313969 [0,1,0,0,0,1|2,0,0]=4 3075 B15R2.395 CC1NCCC1C(O)c2cccnc2 Amb35584408 [0,1,0,0,0,1|2,0,0]=4 3076 B15R2.395 CC1OCCC1C(O)c2cccnc2 Amb27760068 [0,1,0,0,0,1|2,0,0]=4 3077 B15R2.395 CN1CCCC1C(=O)c2ccccc2 Amb35602506 [0,1,0,0,0,1|1,0,0]=3 3078 B15R2.395 CN1CCCC1C(=O)c2cccnc2 Amb35602507 [0,1,0,0,0,1|0,0,0]=2 3079 B15R2.395 CN1CCCC1C(=O)c2cnccn2 Amb35602509 [0,1,0,0,0,1|1,0,0]=3 3080 B15R2.395 CN1CCCC1C(=O)c2cncnc2 Amb35602508 [0,1,0,0,0,1|1,0,0]=3 3081 B15R2.395 CN1CCCC1C(N)c2ccccc2 Amb28184051 [0,1,0,0,0,1|1,0,0]=3 3082 B15R2.395 CN1CCCC1C(N)c2cccnc2 Amb30039728 [0,1,0,0,0,1|0,0,0]=2 3083 B15R2.395 CN1CCCC1C(N)c2cnccn2 Amb30039730 [0,1,0,0,0,1|1,0,0]=3 3084 B15R2.395 CN1CCCC1C(N)c2cncnc2 Amb30039729 [0,1,0,0,0,1|1,0,0]=3 3085 B15R2.395 CN1CCCC1C(O)c2cccnc2 Amb35664401 [0,1,0,0,0,1|0,0,0]=2 3086 B15R2.395 CN1CCCC1C(O)c2cnccn2 Amb35664402 [0,1,0,0,0,1|1,0,0]=3 3087 B15R2.395 CN1CCCC1C(O)c2cncnc2 Amb35664403 [0,1,0,0,0,1|1,0,0]=3 3088 B15R2.395 CN1CCC[C@H]1[C@H](O)c2ccccc2 Amb27635220 [0,1,0,0,0,1|1,0,0]=3 3089 B15R2.395 NC1CCCC1C(O)c2cccnc2 Amb18817113 [0,1,0,0,0,1|2,0,0]=4 3090 B15R2.395 NN1CCC[C@H]1[C@@H](O)c2ccccc2 Amb27457671 [0,1,0,0,0,1|2,0,0]=4 3091 B15R2.395 N[C@@H]1CCC[C@@H]1C(=O)c2cccnc2 Amb35662735 [0,1,0,0,0,1|2,0,0]=4 3092 B15R2.395 N[C@@H]1CCC[C@@H]1C(O)c2cccnc2 Amb30039508 [0,1,0,0,0,1|2,0,0]=4 3093 B15R2.395 O=C1CCCC1C(=O)c2cccnc2 Amb18327741 [0,1,0,0,0,1|2,0,0]=4 3094 B15R2.395 O=C1CCCC1C(O)c2cccnc2 Amb28294123 [0,1,0,0,0,1|2,0,0]=4 3095 B15R2.395 O=C1CCC[C@@H]1[C@H](O)c2cccnc2 Amb27219014 [0,1,0,0,0,1|2,0,0]=4 3096 B15R2.405 CC1CCCC1(N)Cc2cnccn2 Amb30007519 [0,1,0,0,0,1|2,0,0]=4 3097 B15R2.405 CC1CCCC1(O)Cc2cccnc2 Amb28323783 [0,1,0,0,0,1|1,0,0]=3 3098 B15R2.405 CC1COCC1(O)Cc2cccnc2 Amb35589729 [0,1,0,0,0,1|2,0,0]=4 3099 B15R2.405 CC1OCCC1(N)Cc2cccnc2 Amb35592993 [0,1,0,0,0,1|2,0,0]=4 3100 B15R2.1510 CC1CCCC1Nc2ccc(Br)cc2 Amb27589837 [0,1,0,0,0,1|2,0,0]=4 3101 B15R2.1510 CC1CCCC1Nc2ccc(Cl)nc2 Amb25969514 [0,1,0,0,0,1|1,0,0]=3 3102 B15R2.1510 CC1CCCC1Nc2ccc(F)cc2 Amb26844758 [0,1,0,0,0,1|2,0,0]=4 3103 B15R2.1510 CC1CCCC1Nc2ccc(I)cc2 Amb28184104 [0,1,0,0,0,1|2,0,0]=4 3104 B15R2.1510 CC1CCCC1Nc2ccc(N)cc2 Amb27246020 [0,1,0,0,0,1|2,0,0]=4 3105 B15R2.1510 CC1CCCC1Nc2ccc(N)nn2 Amb28203427 [0,1,0,0,0,1|2,0,0]=4 3106 B15R2.1510 CC1CCCC1Nc2cnc(Br)cn2 Amb27479682 [0,1,0,0,0,1|2,0,0]=4 3107 B15R2.1510 CC1CCCC1Nc2cnc(Cl)cn2 Amb28343576 [0,1,0,0,0,1|2,0,0]=4 3108 B15R2.1510 CC1CCCN1Cc2ccc(Cl)nc2 Amb28074520 [0,1,0,0,0,1|2,0,0]=4 3109 B15R2.1510 CC1CCCN1Cc2ccc(N)nc2 Amb18284853 [0,1,0,0,0,1|2,0,0]=4 3110 B15R2.1510 CC1COCC1Nc2ccc(Br)nc2 Amb35639099 [0,1,0,0,0,1|2,0,0]=4 3111 B15R2.1510 CC1COCC1Nc2ccc(Cl)nc2 Amb30027367 [0,1,0,0,0,1|2,0,0]=4 3112 B15R2.1510 CC1COCC1Nc2ccc(F)nc2 Amb35639072 [0,1,0,0,0,1|2,0,0]=4 3113 B15R2.1510 CC1COCC1Nc2ccc(N)nc2 Amb35632749 [0,1,0,0,0,1|2,0,0]=4 3114 B15R2.1510 CC1CSCC1Nc2ccc(Br)nc2 Amb27168708 [0,1,0,0,0,1|2,0,0]=4 3115 B15R2.1510 CC1OCCC1Nc2ccc(Cl)nc2 Amb24373411 [0,1,0,0,0,1|2,0,0]=4 3116 B15R2.1510 CC1OCCC1Nc2ccc(N)nc2 Amb27834651 [0,1,0,0,0,1|2,0,0]=4 3117 B15R2.1510 CC1SCCC1Nc2ccc(Br)nc2 Amb28186300 [0,1,0,0,0,1|2,0,0]=4 3118 B15R2.1510 CN1CCCC1Cc2ccc(N)cc2 Amb18064947 [0,1,0,0,0,1|1,0,0]=3 3119 B15R2.1510 CN1CCCC1Cc2ccc(N)nc2 Amb27421383 [0,1,0,0,0,1|0,0,0]=2 3120 B15R2.1510 CN1CCCC1Cc2ccc(O)cc2 Amb18562915 [0,1,0,0,0,1|1,0,0]=3 3121 B15R2.1510 Cc1ccc(CC2CCCC2=O)cn1 Amb35730970 [0,1,0,0,0,1|2,0,0]=4 3122 B15R2.1510 Cc1ccc(CC2CCCC2O)cn1 Amb35719654 [0,1,0,0,0,1|2,0,0]=4 3123 B15R2.1510 Cc1ccc(NC2CCCC2C)cc1 Amb26449490 [0,1,0,0,0,1|2,0,0]=4 3124 B15R2.1510 Cc1ccc(NC2CCCC2C)cn1 Amb24722139 [0,1,0,0,0,1|1,0,0]=3 3125 B15R2.1510 Cc1ccc(NC2CCCC2C)nn1 Amb27606062 [0,1,0,0,0,1|2,0,0]=4 3126 B15R2.1510 Cc1ccc(NC2CCOC2C)cn1 Amb28132060 [0,1,0,0,0,1|2,0,0]=4 3127 B15R2.1510 Cc1ccc(NC2COCC2C)cn1 Amb35635934 [0,1,0,0,0,1|2,0,0]=4 3128 B15R2.1510 Cc1ccc(O[C@@H]2CCC[C@H]2O)cn1 Amb34931142 [0,1,0,0,0,1|2,0,0]=4 3129 B15R2.1510 NN1CCCC1Cc2ccc(Cl)cc2 Amb26844218 [0,1,0,0,0,1|2,0,0]=4 3130 B15R2.1510 NN1CCCC1Cc2ccc(F)cc2 Amb26051130 [0,1,0,0,0,1|2,0,0]=4 3131 B15R2.4083 CC1C(Br)CCC1Cc2cccnc2 Amb27249047 [0,1,0,0,0,1|1,0,0]=3 3132 B15R2.4083 CC1C(N)CCC1Sc2ccccc2 Amb27231138 [0,1,0,0,0,1|2,0,0]=4 3133 B15R2.4083 CC1C(N)CCC1Sc2cnccn2 Amb27181645 [0,1,0,0,0,1|2,0,0]=4 3134 B15R2.4083 CC1C(O)CCC1Cc2ccccc2 Amb27167640 [0,1,0,0,0,1|2,0,0]=4 3135 B15R2.4083 CC1OCC(Nc2cccnc2)C1C Amb29856212 [0,1,0,0,0,1|2,0,0]=4 3136 B15R2.16 O=NN1CC(O)CC1c2cccnc2 Amb27594833 [0,2,0,0,0,0|1,0,0]=3 3137 B15R2.22 CCC1CCNC1c2ccc(C)nc2 Amb28461001 [0,2,0,0,0,0|2,0,0]=4 3138 B15R2.22 CCN1CCCC1c2ccc(Cl)nc2 Amb23444797 [0,2,0,0,0,0|0,0,0]=2 3139 B15R2.22 CCN1CCCC1c2ccc(F)cc2 Amb23578431 [0,2,0,0,0,0|1,0,0]=3 3140 B15R2.22 CNC1CCCC1c2ccc(Br)cc2 Amb35605486 [0,2,0,0,0,0|2,0,0]=4 3141 B15R2.22 CNC1CCCC1c2ccc(C)cc2 Amb19072719 [0,2,0,0,0,0|2,0,0]=4 3142 B15R2.22 CNC1CCCC1c2ccc(C)nc2 Amb27457149 [0,2,0,0,0,0|1,0,0]=3 3143 B15R2.22 CNC1CNCC1c2ccc(Br)nc2 Amb27489033 [0,2,0,0,0,0|2,0,0]=4 3144 B15R2.22 CNC1COCC1c2ccc(C)nc2 Amb35608466 [0,2,0,0,0,0|2,0,0]=4 3145 B15R2.22 Cc1ccc(C2CCCC2CN)cc1 Amb27817525 [0,2,0,0,0,0|2,0,0]=4 3146 B15R2.22 Cc1ccc(C2CCCN2C=O)cn1 Amb23444684 [0,2,0,0,0,0|0,0,1]=3 3147 B15R2.22 Cc1ccc(C2OCCC2CCl)cn1 Amb28290202 [0,2,0,0,0,0|2,0,0]=4 3148 B15R2.22 Cc1ccc(N2CCC[C@@H]2CN)cn1 Amb27226103 [0,2,0,0,0,0|2,0,0]=4 3149 B15R2.22 Cc1ccc(N2CCC[C@H]2CN)cn1 Amb28130503 [0,2,0,0,0,0|2,0,0]=4 3150 B15R2.22 ClCC1CNCC1c2ccc(Br)nc2 Amb27629630 [0,2,0,0,0,0|2,0,0]=4 3151 B15R2.22 Clc1ccc(C2CNCC2CBr)cn1 Amb28411193 [0,2,0,0,0,0|2,0,0]=4 3152 B15R2.22 Clc1ccc(C2CNCC2CI)cn1 Amb28247985 [0,2,0,0,0,0|2,0,0]=4 3153 B15R2.22 N#CN1CCC[C@H]1c2ccc(N)nc2 Amb27597520 [0,2,0,0,0,0|0,0,1]=3 3154 B15R2.22 NCC1CCCC1c2ccc(Br)cc2 Amb35626389 [0,2,0,0,0,0|2,0,0]=4 3155 B15R2.22 NCC1CCCC1c2ccc(Cl)cc2 Amb28456232 [0,2,0,0,0,0|2,0,0]=4 3156 B15R2.22 NCC1CNCC1c2ccc(Br)nc2 Amb27253617 [0,2,0,0,0,0|2,0,0]=4 3157 B15R2.22 Nc1ccc(C2CCCN2C=O)cn1 Amb23445277 [0,2,0,0,0,0|0,0,1]=3 3158 B15R2.22 Nc1ccc(N2CCC[C@@H]2CO)cn1 Amb30012401 [0,2,0,0,0,0|2,0,0]=4 3159 B15R2.22 Nc1ccc(N2CCC[C@H]2CO)cn1 Amb35687939 [0,2,0,0,0,0|2,0,0]=4 3160 B15R2.22 O=CN1CCCC1c2ccc(Br)nc2 Amb23444838 [0,2,0,0,0,0|0,0,1]=3 3161 B15R2.22 O=CN1CCCC1c2ccc(Cl)nc2 Amb23444795 [0,2,0,0,0,0|0,0,1]=3 3162 B15R2.22 O=CN1CCCC1c2ccc(F)cc2 Amb23578429 [0,2,0,0,0,0|1,0,1]=4 3163 B15R2.22 O=CN1CCCC1c2ccc(O)nc2 Amb23445215 [0,2,0,0,0,0|0,0,1]=3 3164 B15R2.22 O=CN1CCCC1c2ccc(S)nc2 Amb23508003 [0,2,0,0,0,0|0,0,1]=3 3165 B15R2.63 CC(=O)N1CCCC1c2ccccc2 Amb25916883 [0,2,0,0,0,0|1,0,0]=3 3166 B15R2.63 CC(=O)N1CCCC1c2ccccn2 Amb20136482 [0,2,0,0,0,0|2,0,0]=4 3167 B15R2.63 CC(=O)N1CCCC1c2cccnc2 Amb23444561 [0,2,0,0,0,0|0,0,0]=2 3168 B15R2.63 CC(=O)N1CCC[C@@H]1c2cccnc2 Amb32674891 [0,2,0,0,0,0|0,0,0]=2 3169 B15R2.63 CC(=O)N1CCC[C@H]1c2cccnc2 Amb26050368 [0,2,0,0,0,0|0,0,0]=2 3170 B15R2.63 CC(=O)N1CCSC1c2ccccc2 Amb27190042 [0,2,0,0,0,0|2,0,0]=4 3171 B15R2.63 CC(C)N1CCNC1c2ccccc2 Amb28185944 [0,2,0,0,0,0|2,0,0]=4 3172 B15R2.63 CC(C)[C@H]1CCN[C@@H]1c2cccnc2 Amb27420027 [0,2,0,0,0,0|2,0,0]=4 3173 B15R2.63 CC(N)C1CCCC1c2ccccc2 Amb24754168 [0,2,0,0,0,0|2,0,0]=4 3174 B15R2.63 CN(C)[C@@H]1CNC[C@H]1c2cccnc2 Amb27970118 [0,2,0,0,0,0|2,0,0]=4 3175 B15R2.63 NC(=O)N1CCCC1c2cccnc2 Amb27834371 [0,2,0,0,0,0|0,0,1]=3 3176 B15R2.63 O=C(Cl)N1CCCC1c2ccccc2 Amb24336164 [0,2,0,0,0,0|1,0,1]=4 3177 B15R2.72 C=CCN1CCCC1c2ccccc2 Amb27605336 [0,2,0,0,0,0|1,0,0]=3 3178 B15R2.72 CCNC1CCCC1c2cccnc2 Amb18993623 [0,2,0,0,0,0|1,0,0]=3 3179 B15R2.72 CCNC1COCC1c2cccnc2 Amb29877524 [0,2,0,0,0,0|2,0,0]=4 3180 B15R2.72 CCN[C@@H]1CCC[C@H]1c2ccccc2 Amb28256614 [0,2,0,0,0,0|2,0,0]=4 3181 B15R2.72 NCCC1CCCC1c2ccccc2 Amb28384798 [0,2,0,0,0,0|2,0,0]=4 3182 B15R2.72 NCCN1CCCC1c2ccccn2 Amb24733786 [0,2,0,0,0,0|2,0,0]=4 3183 B15R2.72 OCC[C@H]1CCC[C@H]1c2ccccc2 Amb27452403 [0,2,0,0,0,0|2,0,0]=4 3184 B15R2.2188 CCC1CCCN1c2cncc(Br)c2 Amb27595929 [0,2,0,0,0,0|2,0,0]=4 3185 B15R2.2188 CNC1CCCC1c2cccc(Br)c2 Amb35591800 [0,2,0,0,0,0|2,0,0]=4 3186 B15R2.2188 CNC1CCCC1c2cccc(Cl)c2 Amb27877370 [0,2,0,0,0,0|2,0,0]=4 3187 B15R2.2188 CNC1COCC1c2cncc(C)c2 Amb35608463 [0,2,0,0,0,0|2,0,0]=4 3188 B15R2.2188 CNC1COCC1c2cncc(F)c2 Amb35616467 [0,2,0,0,0,0|2,0,0]=4 3189 B15R2.2188 C[n+]1cccc(C2CCCN2N=O)c1 Amb28189483 [0,2,0,0,0,0|1,0,1]=4 3190 B15R2.2188 Cc1cncc(C2CCCC2CN)c1 Amb27747879 [0,2,0,0,0,0|1,0,0]=3 3191 B15R2.2188 Cc1cncc(C2CCCN2C=O)c1 Amb23444736 [0,2,0,0,0,0|0,0,1]=3 3192 B15R2.2188 ClCC1CCCN1c2cncc(Br)c2 Amb27661086 [0,2,0,0,0,0|2,0,0]=4 3193 B15R2.2188 NCC1CCCC1c2cccc(Br)c2 Amb30021561 [0,2,0,0,0,0|2,0,0]=4 3194 B15R2.2188 NCC1CCCC1c2cccc(Cl)c2 Amb27417957 [0,2,0,0,0,0|2,0,0]=4 3195 B15R2.2188 NCC1CCCC1c2cccc(F)c2 Amb27417907 [0,2,0,0,0,0|2,0,0]=4 3196 B15R2.2188 NCC1CCOC1c2cncc(Br)c2 Amb28291659 [0,2,0,0,0,0|2,0,0]=4 3197 B15R2.2188 NC[C@@H]1CCCN1c2cncc(O)c2 Amb27231466 [0,2,0,0,0,0|2,0,0]=4 3198 B15R2.2188 NC[C@H]1CCCN1c2cncc(F)c2 Amb27859512 [0,2,0,0,0,0|2,0,0]=4 3199 B15R2.2188 Nc1cncc(N2CCC[C@@H]2CO)c1 Amb35680018 [0,2,0,0,0,0|2,0,0]=4 3200 B15R2.2188 Nc1cncc(N2CCC[C@H]2CO)c1 Amb35679935 [0,2,0,0,0,0|2,0,0]=4 3201 B15R2.2188 O=NN1CCCC1c2ccc[n+]([O-])c2 Amb22055952 [0,2,0,0,0,0|1,0,1]=4 3202 B15R2.2188 OCC1CCCN1c2cncc(Br)c2 Amb27590156 [0,2,0,0,0,0|2,0,0]=4 3203 B15R2.2188 OC[C@H]1CCCN1c2cncc(Br)c2 Amb29849933 [0,2,0,0,0,0|2,0,0]=4 3204 B15R2.2280 CCC1NCC(C)C1c2cccnc2 Amb28056323 [0,2,0,0,0,0|2,0,0]=4 3205 B15R2.2280 CCN1CCC(N)C1c2ccncc2 Amb27602781 [0,2,0,0,0,0|2,0,0]=4 3206 B15R2.2280 CCN1CCC(N)C1c2cnccn2 Amb35602964 [0,2,0,0,0,0|1,0,0]=3 3207 B15R2.2280 CCN1CCC(N)C1c2cncnc2 Amb27442676 [0,2,0,0,0,0|1,0,0]=3 3208 B15R2.2280 CN1CCC(CN)C1c2ccccc2 Amb19515136 [0,2,0,0,0,0|1,0,0]=3 3209 B15R2.2280 CN1CCC(CN)C1c2ccccc2 Amb22713517 [0,2,0,0,0,0|1,0,0]=3 3210 B15R2.2280 CN1CCC(CN)C1c2cccnc2 Amb22713518 [0,2,0,0,0,0|0,0,0]=2 3211 B15R2.2280 CN1CCC(CN)C1c2ccncc2 Amb27589283 [0,2,0,0,0,0|2,0,0]=4 3212 B15R2.2280 CN1CCC(CN)C1c2cnccn2 Amb35603005 [0,2,0,0,0,0|1,0,0]=3 3213 B15R2.2280 CN1CCC(CN)C1c2cncnc2 Amb27428753 [0,2,0,0,0,0|1,0,0]=3 3214 B15R2.2280 CN1CCC(CO)C1c2ccccc2 Amb22713502 [0,2,0,0,0,0|1,0,0]=3 3215 B15R2.2280 CN1CC[C@@H](CN)[C@@H]1c2cccnc2 Amb17608178 [0,2,0,0,0,0|0,0,0]=2 3216 B15R2.2280 CN1CC[C@@H](CO)[C@@H]1c2ccccc2 Amb27636886 [0,2,0,0,0,0|1,0,0]=3 3217 B15R2.2280 CN1CC[C@@H](CO)[C@@H]1c2cccnc2 Amb26027266 [0,2,0,0,0,0|0,0,0]=2 3218 B15R2.2280 CN1CC[C@H](CN)[C@H]1c2cccnc2 Amb27774882 [0,2,0,0,0,0|0,0,0]=2 3219 B15R2.2280 CN1OCC(C=O)C1c2ccccc2 Amb27169046 [0,2,0,0,0,0|2,0,0]=4 3220 B15R2.2280 O=NN1CCC(O)C1c2cccnc2 Amb27981731 [0,2,0,0,0,0|1,0,0]=3 3221 B15R2.2338 CC1(c2ccccc2)CCCC1CO Amb27632808 [0,2,0,0,0,0|2,0,0]=4 3222 B15R2.2338 CCC1CCCC1(O)c2ccccc2 Amb27585873 [0,2,0,0,0,0|2,0,0]=4 3223 B15R2.2338 CCC1CCCC1(O)c2cncnc2 Amb28240169 [0,2,0,0,0,0|2,0,0]=4 3224 B15R2.2338 CCC1COCC1(O)c2cccnc2 Amb29882895 [0,2,0,0,0,0|2,0,0]=4 3225 B15R2.2338 C[C@@]1(c2ccccc2)CCC[C@H]1CO Amb27629707 [0,2,0,0,0,0|2,0,0]=4 3226 B15R2.2338 C[C@@]1(c2cccnc2)CNC[C@H]1CO Amb26653398 [0,2,0,0,0,0|2,0,0]=4 3227 B15R2.2338 OC[C@@H]1CCC[C@@]1(O)c2ccccc2 Amb27662117 [0,2,0,0,0,0|2,0,0]=4 3228 B15R2.2348 CCC1CCCN1c2cnccc2N Amb28255938 [0,2,0,0,0,0|2,0,0]=4 3229 B15R2.2348 CNC1CCCC1c2ccccc2C Amb19072720 [0,2,0,0,0,0|2,0,0]=4 3230 B15R2.2348 CNC1COCC1c2cnccc2C Amb35608465 [0,2,0,0,0,0|2,0,0]=4 3231 B15R2.2348 Cc1ccncc1C2CCCN2C=O Amb23444763 [0,2,0,0,0,0|0,0,1]=3 3232 B15R2.2348 Cc1ccncc1C2OCCC2CN Amb28424299 [0,2,0,0,0,0|2,0,0]=4 3233 B15R2.2348 Cc1ccncc1N2CCCC2CN Amb27461788 [0,2,0,0,0,0|2,0,0]=4 3234 B15R2.2348 Fc1ncccc1C2CNCC2CBr Amb28457453 [0,2,0,0,0,0|2,0,0]=4 3235 B15R2.2348 Fc1ncccc1C2CNCC2CCl Amb27629664 [0,2,0,0,0,0|2,0,0]=4 3236 B15R2.2348 N#CN1CCCC1c2cccnc2N Amb28123098 [0,2,0,0,0,0|0,0,1]=3 3237 B15R2.2348 NCC1CCCC1c2ccccc2Cl Amb27417905 [0,2,0,0,0,0|2,0,0]=4 3238 B15R2.2348 Nc1ccncc1N2CCC[C@@H]2CO Amb30012406 [0,2,0,0,0,0|2,0,0]=4 3239 B15R2.2348 Nc1ccncc1N2CCC[C@H]2CO Amb35687943 [0,2,0,0,0,0|2,0,0]=4 3240 B15R2.2348 Nc1ncccc1N2CCCC2CO Amb28139162 [0,2,0,0,0,0|2,0,0]=4 3241 B15R2.2348 Nc1ncccc1N2CCC[C@@H]2CO Amb30012405 [0,2,0,0,0,0|2,0,0]=4 3242 B15R2.2348 Nc1ncccc1N2CCC[C@H]2CO Amb35687942 [0,2,0,0,0,0|2,0,0]=4 3243 B15R2.2348 O=CN1CCCC1c2cccnc2Br Amb23444875 [0,2,0,0,0,0|0,0,1]=3 3244 B15R2.2348 O=CN1CCCC1c2cccnc2Cl Amb23444818 [0,2,0,0,0,0|0,0,1]=3 3245 B15R2.2348 O=CN1CCCC1c2cccnc2O Amb23445243 [0,2,0,0,0,0|0,0,1]=3 3246 B15R2.2348 O=CN1CCCC1c2cccnc2S Amb23508037 [0,2,0,0,0,0|0,0,1]=3 3247 B15R2.2349 CCN1C(=O)CCC1c2cccnc2 Amb17614139 [0,2,0,0,0,0|0,0,1]=3 3248 B15R2.2349 CCN1C(N)=NCC1c2cccnc2 Amb27855905 [0,2,0,0,0,0|1,0,1]=4 3249 B15R2.4106 C[C@]1(C=O)CCC[C@H]1c2ccccc2 Amb27257944 [0,2,0,0,0,0|2,0,0]=4 3250 B15R2.330 C[N+]1([O-])CCC[C@H]1c2ccc[n+]([O-])c2 Amb27791434 [0,2,0,0,0,0|0,0,2]=4 3251 B15R2.337 Cc1c(N)cccc1C2CCCN2C Amb18064955 [0,2,0,0,0,0|1,0,0]=3 3252 B15R2.390 CN1CCCC1c2cc(Br)cnc2N Amb4053469 [0,2,0,0,0,0|0,0,0]=2 3253 B15R2.390 CN1CCCC1c2cc(N)ccc2Cl Amb18562910 [0,2,0,0,0,0|1,0,0]=3 3254 B15R2.390 Cc1ccc(Br)cc1C2CCCN2N Amb26017778 [0,2,0,0,0,0|2,0,0]=4 3255 B15R2.390 Cc1ccc(C)c(C2CCCN2N)c1 Amb24463816 [0,2,0,0,0,0|2,0,0]=4 3256 B15R2.390 Cc1cnc(Cl)c(C2CCCN2C)c1 Amb27605311 [0,2,0,0,0,0|0,0,0]=2 3257 B15R2.390 Cc1cnc(Cl)c([C@H]2CCCN2C)c1 Amb27975265 [0,2,0,0,0,0|0,0,0]=2 3258 B15R2.390 Cc1cnc(N)c(C2CCCC2=O)c1 Amb27436233 [0,2,0,0,0,0|2,0,0]=4 3259 B15R2.390 Cc1cnc(N)c(C2CCCC2N)c1 Amb28410431 [0,2,0,0,0,0|2,0,0]=4 3260 B15R2.390 NC1CCCC1c2cc(Br)cnc2Cl Amb27630354 [0,2,0,0,0,0|2,0,0]=4 3261 B15R2.390 NN1CCCC1c2cc(Br)ccc2F Amb28192467 [0,2,0,0,0,0|2,0,0]=4 3262 B15R2.390 NN1CCCC1c2cc(Cl)ccc2F Amb26059465 [0,2,0,0,0,0|2,0,0]=4 3263 B15R2.390 NN1CCCC1c2cc(F)ccc2F Amb26923269 [0,2,0,0,0,0|2,0,0]=4 3264 B15R2.520 CN1CCCC1c2ccc(Cl)c(N)c2 Amb18064951 [0,2,0,0,0,0|1,0,0]=3 3265 B15R2.520 CN1CCCC1c2ccc(F)c(N)c2 Amb18064954 [0,2,0,0,0,0|1,0,0]=3 3266 B15R2.520 CN1CCCC1c2ccc(N)c(Cl)c2 Amb18562908 [0,2,0,0,0,0|1,0,0]=3 3267 B15R2.520 CN1CCC[C@H]1c2cnc(Cl)c(I)c2 Amb27459935 [0,2,0,0,0,0|0,0,0]=2 3268 B15R2.520 Cc1cc(C2CCCC2C)ccc1O Amb28409135 [0,2,0,0,0,0|2,0,0]=4 3269 B15R2.520 Cc1cc(C2CCCC2Cl)cnc1C Amb27646063 [0,2,0,0,0,0|2,0,0]=4 3270 B15R2.520 Cc1cc(C2CCCC2N)cnc1N Amb27494863 [0,2,0,0,0,0|2,0,0]=4 3271 B15R2.520 Cc1cc(C2CCCN2C)cnc1Cl Amb23508413 [0,2,0,0,0,0|0,0,0]=2 3272 B15R2.520 Cc1cc(C2CCCN2N)ccc1F Amb26514892 [0,2,0,0,0,0|2,0,0]=4 3273 B15R2.520 Cc1ccc(C2CCCN2C)cc1N Amb18562911 [0,2,0,0,0,0|1,0,0]=3 3274 B15R2.520 Cc1ccc(C2CCCN2N)cc1C Amb26961766 [0,2,0,0,0,0|2,0,0]=4 3275 B15R2.520 NN1CCCC1c2ccc(Cl)c(Cl)c2 Amb26454165 [0,2,0,0,0,0|2,0,0]=4 3276 B15R2.520 NN1CCCC1c2ccc(F)c(Cl)c2 Amb27756383 [0,2,0,0,0,0|2,0,0]=4 3277 B15R2.520 NN1CCCC1c2ccc(F)c(F)c2 Amb27632769 [0,2,0,0,0,0|2,0,0]=4 3278 B15R2.2268 C#Cc1cncc(C2CCCN2C)c1 Amb26873294 [0,2,0,0,0,0|0,0,0]=2 3279 B15R2.2268 C#Cc1cncc([C@@H]2CCCN2C)c1 Amb17614200 [0,2,0,0,0,0|0,0,0]=2 3280 B15R2.2268 C#Cc1cncc([C@H]2CCCN2C)c1 Amb19132286 [0,2,0,0,0,0|0,0,0]=2 3281 B15R2.2268 CCc1cncc(C2CCCN2C)c1 Amb27986271 [0,2,0,0,0,0|0,0,0]=2 3282 B15R2.2268 CN1CCCC1c2cncc(C=O)c2 Amb24652671 [0,2,0,0,0,0|0,0,0]=2 3283 B15R2.2268 CN1CCC[C@H]1c2cncc(C=O)c2 Amb17618336 [0,2,0,0,0,0|0,0,0]=2 3284 B15R2.2268 CNc1cncc(N2CCCC2C)c1 Amb27223678 [0,2,0,0,0,0|2,0,0]=4 3285 B15R2.2268 COc1cccc(C2CCCN2N)c1 Amb26514990 [0,2,0,0,0,0|2,0,0]=4 3286 B15R2.2268 COc1cccc(C2OCCN2C)c1 Amb17336597 [0,2,0,0,0,0|2,0,0]=4 3287 B15R2.2268 COc1cncc(C2CCCC2O)c1 Amb27817514 [0,2,0,0,0,0|2,0,0]=4 3288 B15R2.2268 COc1cncc(C2CCNC2C)c1 Amb35663820 [0,2,0,0,0,0|2,0,0]=4 3289 B15R2.2268 COc1cncc(C2CNCC2C)c1 Amb35665179 [0,2,0,0,0,0|2,0,0]=4 3290 B15R2.2268 COc1cncc(C2NCCC2C)c1 Amb35667158 [0,2,0,0,0,0|2,0,0]=4 3291 B15R2.7137 CC1C(Br)CCC1c2cccc(Br)c2 Amb29880778 [0,2,0,0,0,0|2,0,0]=4 3292 B15R2.7137 CC1C(Br)CCC1c2cccc(Cl)c2 Amb28346698 [0,2,0,0,0,0|2,0,0]=4 3293 B15R2.7137 CC1C(Br)CCC1c2cccc(F)c2 Amb27476676 [0,2,0,0,0,0|2,0,0]=4 3294 B15R2.7137 CC1C(Cl)CCC1c2cccc(Br)c2 Amb29880775 [0,2,0,0,0,0|2,0,0]=4 3295 B15R2.7137 CC1C(N)CCC1c2cccc(Br)c2 Amb30028238 [0,2,0,0,0,0|2,0,0]=4 3296 B15R2.7137 CC1C(N)CCC1c2cccc(Cl)c2 Amb27403160 [0,2,0,0,0,0|2,0,0]=4 3297 B15R2.7137 CC1C(N)CCC1c2cccc(F)c2 Amb27234362 [0,2,0,0,0,0|2,0,0]=4 3298 B15R2.7137 CC1C(O)CCC1c2cccc(Br)c2 Amb35626034 [0,2,0,0,0,0|2,0,0]=4 3299 B15R2.7137 CC1CCN(c2cncc(Br)c2)C1C Amb23699350 [0,2,0,0,0,0|2,0,0]=4 3300 B15R2.7137 CC1CCN(c2cncc(N)c2)C1C Amb27658024 [0,2,0,0,0,0|2,0,0]=4 3301 B15R2.7137 CN1C(=O)CCC1c2ccc[n+]([O-])c2 Amb24355974 [0,2,0,0,0,0|0,0,2]=4 3302 B15R2.7137 CN1C(=O)CC[C@H]1c2ccc[n+]([O-])c2 Amb17671977 [0,2,0,0,0,0|0,0,2]=4 3303 B15R2.7137 CN1C(=O)CNC1c2cncc(F)c2 Amb27487124 [0,2,0,0,0,0|1,0,1]=4 3304 B15R2.7137 CN1C(N)=NCC1c2cncc(Br)c2 Amb28291660 [0,2,0,0,0,0|1,0,1]=4 3305 B15R2.7137 Cc1cncc(C2CCC(=O)C2C)c1 Amb27412066 [0,2,0,0,0,0|1,0,1]=4 3306 B15R2.7137 Cc1cncc(C2CCC(=O)N2C)c1 Amb17617285 [0,2,0,0,0,0|0,0,1]=3 3307 B15R2.7148 CN1CCC(N)C1c2cccc(F)c2 Amb28124158 [0,2,0,0,0,0|1,0,0]=3 3308 B15R2.7148 CN1CCC(N)C1c2cccc(I)c2 Amb27610755 [0,2,0,0,0,0|1,0,0]=3 3309 B15R2.7148 CN1CCC(N)C1c2cccc(N)c2 Amb32950219 [0,2,0,0,0,0|1,0,0]=3 3310 B15R2.7148 CN1CCC(N)C1c2cncc(Br)c2 Amb27806288 [0,2,0,0,0,0|0,0,0]=2 3311 B15R2.47154 CN1CCOC1c2cc(Cl)cc(Cl)c2 Amb28344044 [0,2,0,0,0,0|2,0,0]=4 3312 B15R2.65020 CC1CCCC1(N)c2cccc(Br)c2 Amb27465027 [0,2,0,0,0,0|2,0,0]=4 3313 B15R2.65020 CC1CCCC1(N)c2cccc(F)c2 Amb28197465 [0,2,0,0,0,0|2,0,0]=4 3314 B15R2.65020 CC1CCCC1(O)c2cccc(Br)c2 Amb35591765 [0,2,0,0,0,0|2,0,0]=4 3315 B15R2.65020 CC1CCCC1(O)c2cccc(F)c2 Amb26323511 [0,2,0,0,0,0|2,0,0]=4 3316 B15R2.65020 CC1CNCC1(C)c2cncc(F)c2 Amb27656014 [0,2,0,0,0,0|2,0,0]=4 3317 B15R2.65020 CC1COCC1(O)c2cncc(F)c2 Amb35589750 [0,2,0,0,0,0|2,0,0]=4 3318 B15R2.65020 CC1OCCC1(O)c2cncc(F)c2 Amb28318070 [0,2,0,0,0,0|2,0,0]=4 3319 B15R2.65020 Cc1cccc(C2(O)CCCC2C)c1 Amb26436360 [0,2,0,0,0,0|2,0,0]=4 3320 B15R2.65020 Cc1cncc(C2(O)CCSC2C)c1 Amb27982128 [0,2,0,0,0,0|2,0,0]=4 3321 B15R2.65020 Cc1cncc(C2(O)COCC2C)c1 Amb35589730 [0,2,0,0,0,0|2,0,0]=4 3322 B15R2.65020 Cc1cncc(C2(O)CSCC2C)c1 Amb27946104 [0,2,0,0,0,0|2,0,0]=4 3323 B15R2.323 CN1C(=O)CC(N)C1c2ccccc2 Amb17516995 [0,2,0,0,0,0|1,0,1]=4 3324 B15R2.323 CN1C(=O)CC(N)C1c2cccnc2 Amb17517041 [0,2,0,0,0,0|0,0,1]=3 3325 B15R2.323 CN1C(=O)CC(N)C1c2cccnc2 Amb32665010 [0,2,0,0,0,0|0,0,1]=3 3326 B15R2.323 CN1C(=O)CC(N)C1c2cccnc2 Amb32665011 [0,2,0,0,0,0|0,0,1]=3 3327 B15R2.323 CN1C(=O)CC(N)C1c2cnccn2 Amb35602984 [0,2,0,0,0,0|1,0,1]=4 3328 B15R2.323 CN1C(=O)C[C@@H](N)[C@@H]1c2cccnc2 Amb35745780 [0,2,0,0,0,0|0,0,1]=3 3329 B15R2.323 CN1C(=O)C[C@@H](N)[C@@H]1c2cccnc2 Amb35746832 [0,2,0,0,0,0|0,0,1]=3 3330 B15R2.323 CN1C(=O)C[C@H](N)[C@H]1c2ccccc2 Amb33212964 [0,2,0,0,0,0|1,0,1]=4 3331 B15R2.323 CN1C(=O)C[C@H](N)[C@H]1c2cccnc2 Amb25957091 [0,2,0,0,0,0|0,0,1]=3 3332 B15R2.323 CN1C(=O)C[C@H](N)[C@H]1c2cccnc2 Amb28721736 [0,2,0,0,0,0|0,0,1]=3 3333 B15R2.323 CN1C(=O)C[C@H](N)[C@H]1c2cccnc2 Amb32661231 [0,2,0,0,0,0|0,0,1]=3 3334 B15R2.323 CN1C(=O)C[C@H](N)[C@H]1c2cncnc2 Amb33213043 [0,2,0,0,0,0|1,0,1]=4 3335 B15R2.4088 CN1CCC(=O)C1(C)c2ccccc2 Amb28061579 [0,2,0,0,0,0|1,0,1]=4 3336 B15R2.7458 CN1CCC(=O)C1c2ccccc2Br Amb27962645 [0,2,0,0,0,0|1,0,1]=4 3337 B15R2.7458 CN1CCC(=O)C1c2ccccc2O Amb28436356 [0,2,0,0,0,0|1,0,1]=4 3338 B15R2.7458 CN1CCN(C)C1c2ccccc2O Amb10075142 [0,2,0,0,0,0|2,0,0]=4 3339 B15R2.7458 Cc1ccccc1C2C(=O)CCN2C Amb28368632 [0,2,0,0,0,0|1,0,1]=4 3340 B15R2.7458 Cc1ccncc1C2C(N)CCN2C Amb27418239 [0,2,0,0,0,0|0,0,0]=2 3341 B15R2.7458 Cc1nccnc1C2C(N)CCN2C Amb35602980 [0,2,0,0,0,0|1,0,0]=3 3342 B15R2.18925 CC1CCC(C)N1c2ccc(Br)nc2 Amb27869413 [0,2,0,0,0,0|2,0,0]=4 3343 B15R2.18925 CN1CCC(N)C1c2ccc(Br)cc2 Amb18693049 [0,2,0,0,0,0|1,0,0]=3 3344 B15R2.18925 CN1CCC(N)C1c2ccc(Cl)cc2 Amb22059401 [0,2,0,0,0,0|1,0,0]=3 3345 B15R2.18925 CN1CCC(N)C1c2ccc(F)cc2 Amb22059400 [0,2,0,0,0,0|1,0,0]=3 3346 B15R2.18925 CN1CCC(N)C1c2ccc(N)cc2 Amb32950220 [0,2,0,0,0,0|1,0,0]=3 3347 B15R2.18925 CN1CCN(C)C1c2ccc(F)cc2 Amb28044190 [0,2,0,0,0,0|2,0,0]=4 3348 B15R2.18925 CN1CC[C@@H](N)[C@@H]1c2ccc(Cl)cc2 Amb33329100 [0,2,0,0,0,0|1,0,0]=3 3349 B15R2.18925 CN1CC[C@@H](N)[C@@H]1c2ccc(F)cc2 Amb33329179 [0,2,0,0,0,0|1,0,0]=3 3350 B15R2.18925 Cc1ccc(C2C(C)CNC2C)cn1 Amb28367338 [0,2,0,0,0,0|2,0,0]=4 3351 B15R2.18925 Cc1ccc(C2C(N)CCN2C)nn1 Amb32950365 [0,2,0,0,0,0|1,0,0]=3 3352 B15R2.553 CC1(C)CCCC1c2ccccc2N Amb28047308 [0,2,0,0,0,0|2,0,0]=4 3353 B15R2.553 CC1(C)CCC[C@H]1c2ccccc2O Amb27261919 [0,2,0,0,0,0|2,0,0]=4 3354 B15R2.557 Cc1ccccc1C2CC(N)CN2C Amb27634280 [0,2,0,0,0,0|1,0,0]=3 3355 B15R2.2302 CC1CCCN1c2cccnc2CN Amb27417948 [0,2,0,0,0,0|2,0,0]=4 3356 B15R2.2302 CC1CCCN1c2cnccc2CCl Amb27759857 [0,2,0,0,0,0|2,0,0]=4 3357 B15R2.2302 CC1CCCN1c2cnccc2CN Amb28313866 [0,2,0,0,0,0|2,0,0]=4 3358 B15R2.2302 CC1CCCN1c2cnccc2CO Amb28411424 [0,2,0,0,0,0|2,0,0]=4 3359 B15R2.2302 CN1CCC[C@H]1c2cnccc2CO Amb28207386 [0,2,0,0,0,0|0,0,0]=2 3360 B15R2.2302 COc1ccccc1C2CCCN2N Amb25781776 [0,2,0,0,0,0|2,0,0]=4 3361 B15R2.2302 COc1ccccc1C2NCCN2C Amb28244698 [0,2,0,0,0,0|2,0,0]=4 3362 B15R2.2302 COc1ccccc1C2OCCN2C Amb17336595 [0,2,0,0,0,0|2,0,0]=4 3363 B15R2.2302 COc1ccncc1C2CCCC2Br Amb27651981 [0,2,0,0,0,0|2,0,0]=4 3364 B15R2.2302 COc1ccncc1C2CCCC2Cl Amb28047045 [0,2,0,0,0,0|2,0,0]=4 3365 B15R2.2302 COc1ncccc1C2CCCC2Cl Amb28184401 [0,2,0,0,0,0|2,0,0]=4 3366 B15R2.2302 COc1ncccc1C2CCCC2O Amb27798087 [0,2,0,0,0,0|2,0,0]=4 3367 B15R2.2302 COc1ncccc1C2CCCN2C Amb23444940 [0,2,0,0,0,0|0,0,0]=2 3368 B15R2.7454 CC1CCCC1(N)c2ccccc2Br Amb28044240 [0,2,0,0,0,0|2,0,0]=4 3369 B15R2.7454 CC1CCCC1(O)c2ccccc2Br Amb32669984 [0,2,0,0,0,0|2,0,0]=4 3370 B15R2.7454 CC1CCCC1(O)c2ccccc2F Amb25832200 [0,2,0,0,0,0|2,0,0]=4 3371 B15R2.7454 CC1CCCC1(O)c2ccccc2N Amb18650911 [0,2,0,0,0,0|2,0,0]=4 3372 B15R2.7454 CC1CCCC1(O)c2cccnc2Br Amb35702798 [0,2,0,0,0,0|1,0,0]=3 3373 B15R2.7454 CC1COCC1(O)c2cccnc2Br Amb29877651 [0,2,0,0,0,0|2,0,0]=4 3374 B15R2.7454 CC1COCC1(O)c2cccnc2N Amb35589732 [0,2,0,0,0,0|2,0,0]=4 3375 B15R2.7454 CC1COCC1(O)c2cnccc2N Amb35589734 [0,2,0,0,0,0|2,0,0]=4 3376 B15R2.7454 CC1CSCC1(O)c2cccnc2Br Amb29887010 [0,2,0,0,0,0|2,0,0]=4 3377 B15R2.7454 CC1CSCC1(O)c2cccnc2N Amb27241442 [0,2,0,0,0,0|2,0,0]=4 3378 B15R2.7454 CC1OCCC1(O)c2cccnc2Br Amb35702816 [0,2,0,0,0,0|2,0,0]=4 3379 B15R2.7454 CC1OCCC1(O)c2cccnc2N Amb28045430 [0,2,0,0,0,0|2,0,0]=4 3380 B15R2.7454 CC1SCCC1(O)c2cccnc2Br Amb29887011 [0,2,0,0,0,0|2,0,0]=4 3381 B15R2.7454 CC1SCCC1(O)c2cnccc2N Amb27398051 [0,2,0,0,0,0|2,0,0]=4 3382 B15R2.7454 Cc1ccccc1C2(N)CCCC2C Amb27951960 [0,2,0,0,0,0|2,0,0]=4 3383 B15R2.7454 Cc1ccccc1C2(O)CCCC2C Amb25344301 [0,2,0,0,0,0|2,0,0]=4 3384 B15R2.7454 Cc1ccncc1C2(O)COCC2C Amb35589727 [0,2,0,0,0,0|2,0,0]=4 3385 B15R2.7454 Cc1nccnc1C2(N)CCCC2C Amb27227760 [0,2,0,0,0,0|2,0,0]=4 3386 B15R2.7473 CC1C(=O)CCC1c2cccnc2N Amb27164756 [0,2,0,0,0,0|1,0,1]=4 3387 B15R2.7473 CC1C(=O)CCC1c2cnccc2N Amb28324719 [0,2,0,0,0,0|1,0,1]=4 3388 B15R2.7473 CC1C(Cl)CCC1c2cnccc2N Amb27640130 [0,2,0,0,0,0|1,0,0]=3 3389 B15R2.7473 CC1C(O)CCC1c2ccccc2Cl Amb28288266 [0,2,0,0,0,0|2,0,0]=4 3390 B15R2.7473 CC1CCN(c2cccnc2N)C1C Amb27452672 [0,2,0,0,0,0|2,0,0]=4 3391 B15R2.7473 CN1C(=O)CCC1c2cccnc2N Amb27658774 [0,2,0,0,0,0|0,0,1]=3 3392 B15R2.7473 CN1C(=O)CCC1c2cnccc2N Amb18650871 [0,2,0,0,0,0|0,0,1]=3 3393 B15R2.7473 Cc1ccccc1C2CCC(Cl)C2C Amb28143948 [0,2,0,0,0,0|2,0,0]=4 3394 B15R2.7473 Cc1ccccc1C2CCC(N)C2C Amb28129679 [0,2,0,0,0,0|2,0,0]=4 3395 B15R2.7473 Cc1ccccc1C2CCC(O)C2C Amb27419438 [0,2,0,0,0,0|2,0,0]=4 3396 B15R2.7473 Cc1ccncc1C2CCC(Br)C2C Amb27757845 [0,2,0,0,0,0|1,0,0]=3 3397 B15R2.7473 Cc1ccncc1C2CN=C(N)N2C Amb27241845 [0,2,0,0,0,0|1,0,1]=4 3398 B15R2.7536 CN1CCCC1c2ccc(N)cc2Cl Amb18562909 [0,2,0,0,0,0|1,0,0]=3 3399 B15R2.7536 CN1CCCC1c2cnc(Cl)cc2I Amb27440065 [0,2,0,0,0,0|0,0,0]=2 3400 B15R2.7536 CN1CCC[C@H]1c2cnc(Cl)cc2I Amb27423754 [0,2,0,0,0,0|0,0,0]=2 3401 B15R2.7536 CN1CCOC1c2ccc(Cl)cc2Cl Amb27786047 [0,2,0,0,0,0|2,0,0]=4 3402 B15R2.7536 Cc1cc(Cl)ncc1C2CCCN2C Amb23508448 [0,2,0,0,0,0|0,0,0]=2 3403 B15R2.7536 Cc1cc(N)ccc1[C@H]2CCCN2C Amb27629299 [0,2,0,0,0,0|1,0,0]=3 3404 B15R2.7536 Cc1cc(N)ncc1C2CCCC2=O Amb27219103 [0,2,0,0,0,0|2,0,0]=4 3405 B15R2.7536 Cc1cc(N)ncc1C2CCCC2N Amb28041399 [0,2,0,0,0,0|2,0,0]=4 3406 B15R2.7536 Cc1cc(N)ncc1C2CCCN2C Amb23508818 [0,2,0,0,0,0|0,0,0]=2 3407 B15R2.7536 Cc1cc(O)ncc1C2CCCC2=O Amb27951559 [0,2,0,0,0,0|2,0,0]=4 3408 B15R2.7536 Cc1cc(O)ncc1C2CCCN2C Amb23508608 [0,2,0,0,0,0|0,0,0]=2 3409 B15R2.7536 Cc1cc(S)ncc1C2CCCN2C Amb23508713 [0,2,0,0,0,0|0,0,0]=2 3410 B15R2.7536 Cc1ccc(C2CCCN2N)c(C)c1 Amb25739683 [0,2,0,0,0,0|2,0,0]=4 3411 B15R2.7536 Cc1ccc(C2OCCN2C)c(C)c1 Amb27251500 [0,2,0,0,0,0|2,0,0]=4 3412 B15R2.7536 Cc1nc(Cl)ccc1C2CCCN2C Amb23508484 [0,2,0,0,0,0|0,0,0]=2 3413 B15R2.7536 Cc1nc(N)ccc1C2CCCC2N Amb27960912 [0,2,0,0,0,0|2,0,0]=4 3414 B15R2.7536 Cc1nc(N)ccc1C2CCCN2C Amb23508855 [0,2,0,0,0,0|0,0,0]=2 3415 B15R2.7536 NN1CCCC1c2ccc(Cl)cc2Cl Amb25722166 [0,2,0,0,0,0|2,0,0]=4 3416 B15R2.7536 NN1CCCC1c2ccc(F)cc2F Amb25371714 [0,2,0,0,0,0|2,0,0]=4 3417 B15R2.7647 CN1CCOC1c2c(F)cccc2Cl Amb17340459 [0,2,0,0,0,0|2,0,0]=4 3418 B15R2.324 CC1CC(O)(c2cccnc2)C(C)O1 Amb27450248 [0,2,0,0,0,0|2,0,0]=4 3419 B15R2.7221 CC1OCC(O)(c2cccnc2)C1C Amb35682476 [0,2,0,0,0,0|2,0,0]=4 3420 B15R2.7221 CN1C(=O)CCC1(O)c2ccccc2 Amb2424191 [0,2,0,0,0,0|1,0,1]=4 3421 B15R2.7221 CN1C(=O)CCC1(O)c2cccnc2 Amb27235340 [0,2,0,0,0,0|0,0,1]=3 3422 B15R2.8861 CC1(C)CCCC1(O)c2cncnc2 Amb27257300 [0,2,0,0,0,0|2,0,0]=4 3423 B15R2.8861 CC1(O)CCCC1(C)c2ccccc2 Amb28075020 [0,2,0,0,0,0|2,0,0]=4 3424 B15R2.8861 CC1(O)CCCC1(C)c2cnccn2 Amb27944594 [0,2,0,0,0,0|2,0,0]=4 3425 B15R2.18921 CC1CCCC1(N)c2ccc(F)cc2 Amb27474184 [0,2,0,0,0,0|2,0,0]=4 3426 B15R2.18921 CC1CCCC1(O)c2ccc(Br)cc2 Amb32669908 [0,2,0,0,0,0|2,0,0]=4 3427 B15R2.18921 CC1CCCC1(O)c2ccc(F)cc2 Amb27662623 [0,2,0,0,0,0|2,0,0]=4 3428 B15R2.18921 Cc1ccc(C2(N)CCCC2C)cc1 Amb28315335 [0,2,0,0,0,0|2,0,0]=4 3429 B15R2.18921 Cc1ccc(C2(N)CCCC2C)nn1 Amb27861988 [0,2,0,0,0,0|2,0,0]=4 3430 B15R2.25515 CC1CCCC1(CN)c2ccccc2 Amb28315334 [0,2,0,0,0,0|2,0,0]=4 3431 B15R2.25515 CC1CCCC1(CN)c2cccnc2 Amb28387685 [0,2,0,0,0,0|1,0,0]=3 3432 B15R2.25515 CN1CCCC1(C=O)c2ccccc2 Amb28408818 [0,2,0,0,0,0|1,0,0]=3 3433 B15R2.25515 CN1CCCC1(CN)c2cccnc2 Amb27585786 [0,2,0,0,0,0|0,0,0]=2 3434 B15R2.25515 C[C@H]1CCC[C@@]1(CO)c2ccccc2 Amb27420585 [0,2,0,0,0,0|2,0,0]=4 3435 B15R2.306 Cc1ccc(C2CCNC2(C)C)cn1 Amb27861670 [0,2,0,0,0,0|2,0,0]=4 3436 B15R2.4092 C[N+]1([O-])C(=O)CCC1c2cccnc2 Amb27237659 [0,2,0,0,0,0|0,0,2]=4 3437 B15R2.4092 C[N+]1([O-])C(=O)CC[C@H]1c2cccnc2 Amb27265832 [0,2,0,0,0,0|0,0,2]=4 3438 B15R2.309 CC1CC(O)CN1c2ccc(N)nc2 Amb27453783 [0,2,0,0,0,0|2,0,0]=4 3439 B15R2.309 CN1CC(F)CC1c2ccc(N)cc2 Amb27641866 [0,2,0,0,0,0|1,0,0]=3 3440 B15R2.321 CC1C(N)CN(c2ccccc2)N1C Amb28132709 [0,2,0,0,0,0|2,0,0]=4 3441 B15R2.321 CN1C(=O)C(O)CC1c2ccccc2 Amb27835074 [0,2,0,0,0,0|1,0,1]=4 3442 B15R2.321 CN1C(=O)C(O)C[C@H]1c2cccnc2 Amb28315183 [0,2,0,0,0,0|0,0,1]=3 3443 B15R2.321 CN1C(=O)[C@@H](O)C[C@H]1c2cccnc2 Amb17615243 [0,2,0,0,0,0|0,0,1]=3 3444 B15R2.321 CN1C(=O)[C@H](O)C[C@@H]1c2cccnc2 Amb27440458 [0,2,0,0,0,0|0,0,1]=3 3445 B15R2.321 CN1C(=O)[C@H](O)C[C@H]1c2cccnc2 Amb17615241 [0,2,0,0,0,0|0,0,1]=3 3446 B15R2.321 CN1[C@@H](O)C[C@@H](c2ccccc2)N1C Amb27213925 [0,2,0,0,0,0|2,0,0]=4 3447 B15R2.321 C[C@H]1C(N)CN(c2ccccc2)N1C Amb28076701 [0,2,0,0,0,0|2,0,0]=4 3448 B15R2.1682 CN1CC(CCl)OC1c2ccccc2 Amb27792103 [0,2,0,0,0,0|2,0,0]=4 3449 B15R2.1682 CN1OC(CO)CC1c2ccccc2 Amb2420790 [0,2,0,0,0,0|2,0,0]=4 3450 B15R2.36 CCc1ccc(C2CCCN2C)cn1 Amb27164487 [0,2,0,0,0,0|0,0,0]=2 3451 B15R2.36 CCc1ccc(C2CCCN2N)cc1 Amb25705199 [0,2,0,0,0,0|2,0,0]=4 3452 B15R2.36 CCc1ccc(C2OCCN2C)cc1 Amb17336331 [0,2,0,0,0,0|2,0,0]=4 3453 B15R2.36 CN1CCCC1c2ccc(CO)nc2 Amb28207210 [0,2,0,0,0,0|0,0,0]=2 3454 B15R2.36 CN1CCC[C@H]1c2ccc(C=O)nc2 Amb28321946 [0,2,0,0,0,0|0,0,0]=2 3455 B15R2.36 CN1CCOC1c2ccc(C#N)cc2 Amb18649944 [0,2,0,0,0,0|2,0,0]=4 3456 B15R2.36 COc1ccc(C2CCCC2Br)cn1 Amb35692022 [0,2,0,0,0,0|2,0,0]=4 3457 B15R2.36 COc1ccc(C2CCCC2Cl)cn1 Amb35692021 [0,2,0,0,0,0|2,0,0]=4 3458 B15R2.36 COc1ccc(C2CCCC2N)cn1 Amb27410568 [0,2,0,0,0,0|2,0,0]=4 3459 B15R2.36 COc1ccc(C2CCCC2O)cn1 Amb35698452 [0,2,0,0,0,0|2,0,0]=4 3460 B15R2.36 COc1ccc(C2CCCN2C)cc1 Amb23578238 [0,2,0,0,0,0|1,0,0]=3 3461 B15R2.36 COc1ccc(C2CCCN2C)cn1 Amb23444903 [0,2,0,0,0,0|0,0,0]=2 3462 B15R2.36 COc1ccc(C2CCCN2N)cc1 Amb25028917 [0,2,0,0,0,0|2,0,0]=4 3463 B15R2.36 COc1ccc(C2OCCN2C)cc1 Amb17336599 [0,2,0,0,0,0|2,0,0]=4 3464 B15R2.36 CSc1ccc(C2CCCN2N)cc1 Amb25781667 [0,2,0,0,0,0|2,0,0]=4 3465 B15R2.36 N#Cc1ccc(C2CCCC2N)cn1 Amb28430468 [0,2,0,0,0,0|2,0,0]=4 3466 B15R2.18933 CC1C(Br)CCC1c2ccc(Br)cc2 Amb35656682 [0,2,0,0,0,0|2,0,0]=4 3467 B15R2.18933 CC1C(Cl)CCC1c2ccc(Br)cc2 Amb35656679 [0,2,0,0,0,0|2,0,0]=4 3468 B15R2.18933 CC1C(Cl)CCC1c2ccc(F)cc2 Amb28291171 [0,2,0,0,0,0|2,0,0]=4 3469 B15R2.18933 CC1C(N)CCC1c2ccc(Br)cc2 Amb30028234 [0,2,0,0,0,0|2,0,0]=4 3470 B15R2.18933 CC1C(O)CCC1c2ccc(Br)cc2 Amb35626026 [0,2,0,0,0,0|2,0,0]=4 3471 B15R2.18933 CC1C(O)CCC1c2ccc(Cl)cc2 Amb28401367 [0,2,0,0,0,0|2,0,0]=4 3472 B15R2.18933 CN1C(=O)CCC1c2ccc(N)nc2 Amb27249615 [0,2,0,0,0,0|0,0,1]=3 3473 B15R2.18933 CN1C(=O)CC[C@H]1C2=CNC(=O)C=C2 Amb27832021 [0,2,0,0,0,0|0,0,2]=4 3474 B15R2.18933 CN1C(=O)CNC1c2ccc(F)nc2 Amb27809330 [0,2,0,0,0,0|1,0,1]=4 3475 B15R2.18933 Cc1ccc(C2CCC(O)C2C)cn1 Amb27646231 [0,2,0,0,0,0|1,0,0]=3 3476 B15R2.18933 Cc1ccc(C2CN=C(N)N2C)cn1 Amb28363732 [0,2,0,0,0,0|1,0,1]=4 3477 B15R2.4808 CN1C(C#N)CCC1c2cccnc2 Amb27974594 [0,2,0,0,0,0|0,0,0]=2 3478 B15R2.4808 CN1C(CO)CCC1c2ccccc2 Amb27665302 [0,2,0,0,0,0|1,0,0]=3 3479 B15R2.7383 CN1C(c2cccnc2)CCC1(C)O Amb27857484 [0,2,0,0,0,0|0,0,0]=2 3480 B13R2.1 CCCN1CCc2ncccc21 Amb28382053 [0,0,1,1,0,0|2,0,0]=4 3481 B13R2.1 COCC1NCc2ccccc21 Amb27457641 [0,0,1,1,0,0|2,0,0]=4 3482 B13R2.1 NCCC1CCc2ccncc21 Amb28135020 [0,0,1,1,0,0|2,0,0]=4 3483 B13R2.1 OCCC1NCc2ccccc21 Amb33212838 [0,0,1,1,0,0|2,0,0]=4 3484 B13R2.3 C1=C(c2cccnc2)CCCC1 Amb27615559 [0,0,1,1,0,0|1,0,1]=4 3485 B13R2.3 C1=CC(c2cccnc2)CCC1 Amb13890748 [0,0,1,1,0,0|1,0,1]=4 3486 B13R2.3 C1=CC[C@@H](c2cccnc2)NC1 Amb27876579 [0,0,1,1,0,0|0,0,2]=4 3487 B13R2.3 C1=CC[C@H](c2cccnc2)NC1 Amb22801091 [0,0,1,1,0,0|0,0,2]=4 3488 B13R2.3 c1cc(C2CCCCN2)ccn1 Amb17659185 [0,0,1,1,0,0|2,0,0]=4 3489 B13R2.3 c1cc(C2CCCCN2)cnn1 Amb27244872 [0,0,1,1,0,0|1,0,0]=3 3490 B13R2.3 c1cc([C@H]2CCCCN2)ccn1 Amb27978711 [0,0,1,1,0,0|2,0,0]=4 3491 B13R2.3 c1ccc(C2CCCCC2)cc1 Amb6357376 [0,0,1,1,0,0|2,0,0]=4 3492 B13R2.3 c1ccc(C2CCCCN2)cc1 Amb10068914 [0,0,1,1,0,0|1,0,0]=3 3493 B13R2.3 c1ccc(C2CCCCN2)cc1 Amb9725835 [0,0,1,1,0,0|1,0,0]=3 3494 B13R2.3 c1ccc(C2CCCCN2)nc1 Amb2234698 [0,0,1,1,0,0|2,0,0]=4 3495 B13R2.3 c1ccc(C2CCCCN2)nc1 Amb2237208 [0,0,1,1,0,0|2,0,0]=4 3496 B13R2.3 c1ccc(C2CCOCN2)cc1 Amb32751745 [0,0,1,1,0,0|2,0,0]=4 3497 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb10068867 [0,0,1,1,0,0|2,0,0]=4 3498 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb2690307 [0,0,1,1,0,0|2,0,0]=4 3499 B13R2.3 c1ccc(C2CNCCN2)cc1 Amb32663253 [0,0,1,1,0,0|2,0,0]=4 3500 B13R2.3 c1ccc(C2COCCN2)cc1 Amb10068848 [0,0,1,1,0,0|2,0,0]=4 3501 B13R2.3 c1ccc(C2COCCN2)cc1 Amb18528726 [0,0,1,1,0,0|2,0,0]=4 3502 B13R2.3 c1ccc(C2COCCN2)cc1 Amb5750999 [0,0,1,1,0,0|2,0,0]=4 3503 B13R2.3 c1ccc(C2CSCCN2)cc1 Amb3940996 [0,0,1,1,0,0|2,0,0]=4 3504 B13R2.3 c1ccc(C2NCCCN2)cc1 Amb27229973 [0,0,1,1,0,0|2,0,0]=4 3505 B13R2.3 c1ccc(C2NCCCO2)cc1 Amb17334580 [0,0,1,1,0,0|2,0,0]=4 3506 B13R2.3 c1ccc(C2NCCCO2)cc1 Amb22901047 [0,0,1,1,0,0|2,0,0]=4 3507 B13R2.3 c1ccc([C@@H]2CCCCN2)cc1 Amb24471915 [0,0,1,1,0,0|1,0,0]=3 3508 B13R2.3 c1ccc([C@@H]2CCCCN2)cc1 Amb33871590 [0,0,1,1,0,0|1,0,0]=3 3509 B13R2.3 c1ccc([C@@H]2CCCCN2)nc1 Amb27817769 [0,0,1,1,0,0|2,0,0]=4 3510 B13R2.3 c1ccc([C@@H]2CCCCN2)nc1 Amb33872076 [0,0,1,1,0,0|2,0,0]=4 3511 B13R2.3 c1ccc([C@@H]2CNCCN2)cc1 Amb28119934 [0,0,1,1,0,0|2,0,0]=4 3512 B13R2.3 c1ccc([C@@H]2COCCN2)cc1 Amb20242902 [0,0,1,1,0,0|2,0,0]=4 3513 B13R2.3 c1ccc([C@@H]2COCCN2)cc1 Amb22274558 [0,0,1,1,0,0|2,0,0]=4 3514 B13R2.3 c1ccc([C@@H]2CSCCN2)cc1 Amb24652809 [0,0,1,1,0,0|2,0,0]=4 3515 B13R2.3 c1ccc([C@H]2CCCCN2)cc1 Amb24181809 [0,0,1,1,0,0|1,0,0]=3 3516 B13R2.3 c1ccc([C@H]2CCCCN2)nc1 Amb22751938 [0,0,1,1,0,0|2,0,0]=4 3517 B13R2.3 c1ccc([C@H]2CNCCN2)cc1 Amb25149925 [0,0,1,1,0,0|2,0,0]=4 3518 B13R2.3 c1ccc([C@H]2COCCN2)cc1 Amb20242901 [0,0,1,1,0,0|2,0,0]=4 3519 B13R2.3 c1ccc([C@H]2COCCN2)cc1 Amb24077482 [0,0,1,1,0,0|2,0,0]=4 3520 B13R2.3 c1ccc([C@H]2CSCCN2)cc1 Amb27964190 [0,0,1,1,0,0|2,0,0]=4 3521 B13R2.3 c1cnc(C2CCCCN2)cn1 Amb17756919 [0,0,1,1,0,0|1,0,0]=3 3522 B13R2.3 c1cnc(C2COCCN2)cn1 Amb27493162 [0,0,1,1,0,0|2,0,0]=4 3523 B13R2.3 c1cnc(C2NCCCS2)cn1 Amb35601005 [0,0,1,1,0,0|2,0,0]=4 3524 B13R2.3 c1cncc(C2=NCCCC2)c1 Amb1981490 [0,0,1,1,0,0|0,0,2]=4 3525 B13R2.3 c1cncc(C2=NCCCC2)c1 Amb5718016 [0,0,1,1,0,0|0,0,2]=4 3526 B13R2.3 c1cncc(C2=NCCCN2)c1 Amb17578179 [0,0,1,1,0,0|1,0,1]=4 3527 B13R2.3 c1cncc(C2CCCCN2)c1 Amb17659186 [0,0,1,1,0,0|0,0,0]=2 3528 B13R2.3 c1cncc(C2CCCCN2)c1 Amb22741090 [0,0,1,1,0,0|0,0,0]=2 3529 B13R2.3 c1cncc(C2CCCCN2)c1 Amb532939 [0,0,1,1,0,0|0,0,0]=2 3530 B13R2.3 c1cncc(C2CCCNC2)c1 Amb26864942 [0,0,1,1,0,0|2,0,0]=4 3531 B13R2.3 c1cncc(C2CCCNC2)c1 Amb28600203 [0,0,1,1,0,0|2,0,0]=4 3532 B13R2.3 c1cncc(C2CCCNC2)c1 Amb8009656 [0,0,1,1,0,0|2,0,0]=4 3533 B13R2.3 c1cncc(C2CCCOC2)c1 Amb24320762 [0,0,1,1,0,0|2,0,0]=4 3534 B13R2.3 c1cncc(C2CCNCC2)c1 Amb22756469 [0,0,1,1,0,0|2,0,0]=4 3535 B13R2.3 c1cncc(C2CCNCC2)c1 Amb22756575 [0,0,1,1,0,0|2,0,0]=4 3536 B13R2.3 c1cncc(C2CCNCC2)c1 Amb3933569 [0,0,1,1,0,0|2,0,0]=4 3537 B13R2.3 c1cncc(C2CCOCC2)c1 Amb24320765 [0,0,1,1,0,0|2,0,0]=4 3538 B13R2.3 c1cncc(C2CNCCN2)c1 Amb10068869 [0,0,1,1,0,0|1,0,0]=3 3539 B13R2.3 c1cncc(C2CNCCN2)c1 Amb2696382 [0,0,1,1,0,0|1,0,0]=3 3540 B13R2.3 c1cncc(C2CNCCO2)c1 Amb10068842 [0,0,1,1,0,0|2,0,0]=4 3541 B13R2.3 c1cncc(C2CNCCO2)c1 Amb22034686 [0,0,1,1,0,0|2,0,0]=4 3542 B13R2.3 c1cncc(C2CNCCO2)c1 Amb8009635 [0,0,1,1,0,0|2,0,0]=4 3543 B13R2.3 c1cncc(C2CNCCS2)c1 Amb10808442 [0,0,1,1,0,0|2,0,0]=4 3544 B13R2.3 c1cncc(C2COCCN2)c1 Amb29083352 [0,0,1,1,0,0|1,0,0]=3 3545 B13R2.3 c1cncc(C2COCCN2)c1 Amb8009630 [0,0,1,1,0,0|1,0,0]=3 3546 B13R2.3 c1cncc(C2CSCCN2)c1 Amb10068814 [0,0,1,1,0,0|1,0,0]=3 3547 B13R2.3 c1cncc(C2NCCCO2)c1 Amb17334612 [0,0,1,1,0,0|1,0,0]=3 3548 B13R2.3 c1cncc(C2NCCCS2)c1 Amb28351890 [0,0,1,1,0,0|1,0,0]=3 3549 B13R2.3 c1cncc(C2OCCCO2)c1 Amb17334629 [0,0,1,1,0,0|2,0,0]=4 3550 B13R2.3 c1cncc(C2SCCCS2)c1 Amb583775 [0,0,1,1,0,0|2,0,0]=4 3551 B13R2.3 c1cncc(N2CCCCC2)c1 Amb18268276 [0,0,1,1,0,0|2,0,0]=4 3552 B13R2.3 c1cncc([C@@H]2CCCCN2)c1 Amb1043454 [0,0,1,1,0,0|0,0,0]=2 3553 B13R2.3 c1cncc([C@@H]2CCCCN2)c1 Amb1980982 [0,0,1,1,0,0|0,0,0]=2 3554 B13R2.3 c1cncc([C@@H]2CCCNC2)c1 Amb27875522 [0,0,1,1,0,0|2,0,0]=4 3555 B13R2.3 c1cncc([C@H]2CCCCN2)c1 Amb16229320 [0,0,1,1,0,0|0,0,0]=2 3556 B13R2.3 c1cncc([C@H]2CCCCN2)c1 Amb9756072 [0,0,1,1,0,0|0,0,0]=2 3557 B13R2.3 c1cncc([C@H]2CCCNC2)c1 Amb25269640 [0,0,1,1,0,0|2,0,0]=4 3558 B13R2.3 c1cncc([C@H]2COCCN2)c1 Amb26415236 [0,0,1,1,0,0|1,0,0]=3 3559 B13R2.3 c1cnnc(C2CCCCN2)c1 Amb32416140 [0,0,1,1,0,0|1,0,0]=3 3560 B13R2.3 c1ncc(C2CCCCN2)cn1 Amb18280973 [0,0,1,1,0,0|1,0,0]=3 3561 B13R2.3 c1ncc(C2COCCN2)cn1 Amb18828319 [0,0,1,1,0,0|2,0,0]=4 3562 B13R2.3 c1ncc(C2CSCCN2)cn1 Amb18823966 [0,0,1,1,0,0|2,0,0]=4 3563 B13R2.3 c1ncc([C@H]2CCCCN2)cn1 Amb25824677 [0,0,1,1,0,0|1,0,0]=3 3564 B13R2.453 CCCC1(c2ccccc2)CO1 Amb18798139 [0,0,1,1,0,0|2,0,0]=4 3565 B13R2.453 CNCC1(c2cccnc2)CC1 Amb25082320 [0,0,1,1,0,0|2,0,0]=4 3566 B13R2.453 NCCC1(c2cccnc2)CC1 Amb18829578 [0,0,1,1,0,0|2,0,0]=4 3567 B13R2.679 CNC(c1ccccc1)C2CC2 Amb9341571 [0,0,1,1,0,0|1,0,0]=3 3568 B13R2.679 CNC(c1ccccn1)C2CC2 Amb10607920 [0,0,1,1,0,0|2,0,0]=4 3569 B13R2.679 CNC(c1ccccn1)C2CC2 Amb13949180 [0,0,1,1,0,0|2,0,0]=4 3570 B13R2.679 CNC(c1cccnc1)C2CC2 Amb18970023 [0,0,1,1,0,0|0,0,0]=2 3571 B13R2.679 CNC(c1cccnc1)C2CC2 Amb19373210 [0,0,1,1,0,0|0,0,0]=2 3572 B13R2.679 CNC(c1cnccn1)C2CC2 Amb27619109 [0,0,1,1,0,0|1,0,0]=3 3573 B13R2.679 CNC(c1cncnc1)C2CC2 Amb18992085 [0,0,1,1,0,0|1,0,0]=3 3574 B13R2.679 NCC(c1cccnc1)C2CC2 Amb26026260 [0,0,1,1,0,0|2,0,0]=4 3575 B13R2.679 NNC(c1cnccn1)C2CC2 Amb27780072 [0,0,1,1,0,0|2,0,0]=4 3576 B13R2.679 ONC(c1ccccc1)C2CC2 Amb10606514 [0,0,1,1,0,0|2,0,0]=4 3577 B13R2.1613 CCC1CCCc2ncccc21 Amb33328510 [0,0,1,1,0,0|1,0,0]=3 3578 B13R2.1613 CNC1CCCc2ccccc21 Amb6892384 [0,0,1,1,0,0|1,0,0]=3 3579 B13R2.1613 CNC1CCCc2ccccc21 Amb9703046 [0,0,1,1,0,0|1,0,0]=3 3580 B13R2.1613 CNC1CCCc2cccnc21 Amb33548214 [0,0,1,1,0,0|2,0,0]=4 3581 B13R2.1613 CNC1CCCc2ccncc21 Amb27259414 [0,0,1,1,0,0|0,0,0]=2 3582 B13R2.1613 CNC1CCCc2ncccc21 Amb27213238 [0,0,1,1,0,0|0,0,0]=2 3583 B13R2.1613 CNC1CSCc2ccccc21 Amb9620986 [0,0,1,1,0,0|2,0,0]=4 3584 B13R2.1613 CNC1OCCc2ccccc21 Amb27462176 [0,0,1,1,0,0|2,0,0]=4 3585 B13R2.1613 CN[C@@H]1CCCc2ccccc21 Amb20241467 [0,0,1,1,0,0|1,0,0]=3 3586 B13R2.1613 CN[C@@H]1CCCc2cccnc21 Amb27666992 [0,0,1,1,0,0|2,0,0]=4 3587 B13R2.1613 CN[C@H]1CCCc2cccnc21 Amb27647580 [0,0,1,1,0,0|2,0,0]=4 3588 B13R2.1613 COC1CCCc2ccccc21 Amb2228261 [0,0,1,1,0,0|2,0,0]=4 3589 B13R2.1613 ClNC1CCCc2ccccc21 Amb27164504 [0,0,1,1,0,0|2,0,0]=4 3590 B13R2.1613 NCC1CCCc2ccncc21 Amb27463627 [0,0,1,1,0,0|2,0,0]=4 3591 B13R2.1613 NCC1CCCc2ncccc21 Amb27463628 [0,0,1,1,0,0|2,0,0]=4 3592 B13R2.1613 NNC1CCCc2ccccc21 Amb6278687 [0,0,1,1,0,0|2,0,0]=4 3593 B13R2.2532 CC1CC1(C#N)c2cccnc2 Amb27416625 [0,0,1,1,0,0|2,0,0]=4 3594 B13R2.2532 CC1CC1(CN)c2cccnc2 Amb27416560 [0,0,1,1,0,0|2,0,0]=4 3595 B13R2.2539 CNC1(c2ccccc2)CCC1 Amb24747455 [0,0,1,1,0,0|1,0,0]=3 3596 B13R2.2539 N#CC1(c2cccnc2)CCC1 Amb27597201 [0,0,1,1,0,0|2,0,0]=4 3597 B13R2.2539 NCC1(c2cccnc2)CCC1 Amb25844855 [0,0,1,1,0,0|2,0,0]=4 3598 B13R2.2539 OCC1(c2cccnc2)CCC1 Amb24698704 [0,0,1,1,0,0|2,0,0]=4 3599 B13R2.2931 CC1CC(NN)c2ccccc21 Amb28127887 [0,0,1,1,0,0|2,0,0]=4 3600 B13R2.2931 CNC1CC(N)c2ccccc21 Amb27623060 [0,0,1,1,0,0|2,0,0]=4 3601 B13R2.2931 CNC1CN(C)c2ccccc21 Amb26631655 [0,0,1,1,0,0|2,0,0]=4 3602 B13R2.2931 CN[C@@H]1C[C@@H](C)c2ccccc21 Amb27623331 [0,0,1,1,0,0|1,0,0]=3 3603 B13R2.25 CNCC1CC1c2ccccc2 Amb17568106 [0,0,1,1,0,0|1,0,0]=3 3604 B13R2.25 CNCC1CC1c2cnccn2 Amb35601056 [0,0,1,1,0,0|1,0,0]=3 3605 B13R2.25 CNCC1CC1c2cncnc2 Amb27443903 [0,0,1,1,0,0|1,0,0]=3 3606 B13R2.25 CNC[C@@H]1C[C@@H]1c2ccccc2 Amb27434473 [0,0,1,1,0,0|1,0,0]=3 3607 B13R2.25 CNC[C@@H]1C[C@H]1c2ccccc2 Amb29837831 [0,0,1,1,0,0|1,0,0]=3 3608 B13R2.25 CSC[C@@H]1C[C@H]1c2ccccc2 Amb28183079 [0,0,1,1,0,0|2,0,0]=4 3609 B13R2.25 NNCC1CC1c2ccccc2 Amb23539331 [0,0,1,1,0,0|2,0,0]=4 3610 B13R2.27 NC1CCC1Cc2cccnc2 Amb27648819 [0,0,1,1,0,0|2,0,0]=4 3611 B13R2.27 OC1CCC1Cc2cccnc2 Amb32945439 [0,0,1,1,0,0|2,0,0]=4 3612 B13R2.64 C1=CCC(Cc2cccnc2)C1 Amb29888236 [0,0,1,1,0,0|1,0,1]=4 3613 B13R2.64 c1cc(CC2CCNC2)ccn1 Amb33546033 [0,0,1,1,0,0|2,0,0]=4 3614 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb24097496 [0,0,1,1,0,0|1,0,0]=3 3615 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb3940960 [0,0,1,1,0,0|1,0,0]=3 3616 B13R2.64 c1ccc(CC2CCNC2)nc1 Amb18563559 [0,0,1,1,0,0|2,0,0]=4 3617 B13R2.64 c1ccc(CC2CCNC2)nc1 Amb21960663 [0,0,1,1,0,0|2,0,0]=4 3618 B13R2.64 c1ccc(CC2CCOC2)cc1 Amb27770987 [0,0,1,1,0,0|2,0,0]=4 3619 B13R2.64 c1ccc(CN2CCNC2)cc1 Amb22494689 [0,0,1,1,0,0|2,0,0]=4 3620 B13R2.64 c1ccc(C[C@@H]2CCNC2)nc1 Amb35825217 [0,0,1,1,0,0|2,0,0]=4 3621 B13R2.64 c1ccc(C[C@H]2CCNC2)nc1 Amb35825216 [0,0,1,1,0,0|2,0,0]=4 3622 B13R2.64 c1ccc(NC2CCNC2)cc1 Amb9768320 [0,0,1,1,0,0|2,0,0]=4 3623 B13R2.64 c1ccc(OC2CCNC2)cc1 Amb21955028 [0,0,1,1,0,0|2,0,0]=4 3624 B13R2.64 c1ccc(OC2CCNC2)cc1 Amb33552314 [0,0,1,1,0,0|2,0,0]=4 3625 B13R2.64 c1ccc(O[C@@H]2CCNC2)cc1 Amb25048825 [0,0,1,1,0,0|2,0,0]=4 3626 B13R2.64 c1ccc(O[C@@H]2CCNC2)cc1 Amb30526957 [0,0,1,1,0,0|2,0,0]=4 3627 B13R2.64 c1ccc(O[C@H]2CCNC2)cc1 Amb26011960 [0,0,1,1,0,0|2,0,0]=4 3628 B13R2.64 c1ccc(O[C@H]2CCNC2)cc1 Amb30526964 [0,0,1,1,0,0|2,0,0]=4 3629 B13R2.64 c1ccc(SC2CCNC2)cc1 Amb17191396 [0,0,1,1,0,0|2,0,0]=4 3630 B13R2.64 c1ccc(SC2CCNC2)cc1 Amb35745750 [0,0,1,1,0,0|2,0,0]=4 3631 B13R2.64 c1cnc(CC2CCNC2)cn1 Amb24616900 [0,0,1,1,0,0|1,0,0]=3 3632 B13R2.64 c1cnc(NC2CCNC2)cn1 Amb17515647 [0,0,1,1,0,0|2,0,0]=4 3633 B13R2.64 c1cnc(OC2CCNC2)cn1 Amb18285264 [0,0,1,1,0,0|2,0,0]=4 3634 B13R2.64 c1cnc(O[C@H]2CCNC2)cn1 Amb22272733 [0,0,1,1,0,0|2,0,0]=4 3635 B13R2.64 c1cnc(SC2CCNC2)cn1 Amb27656833 [0,0,1,1,0,0|2,0,0]=4 3636 B13R2.64 c1cnc(S[C@@H]2CCNC2)cn1 Amb27430298 [0,0,1,1,0,0|2,0,0]=4 3637 B13R2.64 c1cncc(CC2CCCN2)c1 Amb10068752 [0,0,1,1,0,0|2,0,0]=4 3638 B13R2.64 c1cncc(CC2CCCN2)c1 Amb8009507 [0,0,1,1,0,0|2,0,0]=4 3639 B13R2.64 c1cncc(CC2CCNC2)c1 Amb10808478 [0,0,1,1,0,0|0,0,0]=2 3640 B13R2.64 c1cncc(CC2CCNC2)c1 Amb33869822 [0,0,1,1,0,0|0,0,0]=2 3641 B13R2.64 c1cncc(CC2CCNC2)c1 Amb8009647 [0,0,1,1,0,0|0,0,0]=2 3642 B13R2.64 c1cncc(CN2CCCC2)c1 Amb31198117 [0,0,1,1,0,0|2,0,0]=4 3643 B13R2.64 c1cncc(CN2CCCC2)c1 Amb4552422 [0,0,1,1,0,0|2,0,0]=4 3644 B13R2.64 c1cncc(NC2CCCC2)c1 Amb6686489 [0,0,1,1,0,0|2,0,0]=4 3645 B13R2.64 c1cncc(OC2CCNC2)c1 Amb20634441 [0,0,1,1,0,0|1,0,0]=3 3646 B13R2.64 c1cncc(OC2CCNC2)c1 Amb21955070 [0,0,1,1,0,0|1,0,0]=3 3647 B13R2.64 c1cncc(OC2CCNC2)c1 Amb21957625 [0,0,1,1,0,0|1,0,0]=3 3648 B13R2.64 c1cncc(OC2CCSC2)c1 Amb35705131 [0,0,1,1,0,0|2,0,0]=4 3649 B13R2.64 c1cncc(O[C@@H]2CCNC2)c1 Amb33871542 [0,0,1,1,0,0|1,0,0]=3 3650 B13R2.64 c1cncc(O[C@@H]2CCNC2)c1 Amb34913483 [0,0,1,1,0,0|1,0,0]=3 3651 B13R2.64 c1cnnc(NC2CCNC2)c1 Amb18286148 [0,0,1,1,0,0|2,0,0]=4 3652 B13R2.64 c1cnnc(NC2CCNC2)c1 Amb34913880 [0,0,1,1,0,0|2,0,0]=4 3653 B13R2.64 c1ncc(CC2CCNC2)cn1 Amb24428239 [0,0,1,1,0,0|1,0,0]=3 3654 B13R2.64 c1ncc(NC2CCNC2)cn1 Amb27270787 [0,0,1,1,0,0|2,0,0]=4 3655 B13R2.64 c1ncc(OC2CCNC2)cn1 Amb33224166 [0,0,1,1,0,0|2,0,0]=4 3656 B13R2.67 c1ccc2c(c1)CCCCCC2 Amb6359536 [0,0,1,1,0,0|2,0,0]=4 3657 B13R2.67 c1ccc2c(c1)CCCCNC2 Amb27616673 [0,0,1,1,0,0|1,0,0]=3 3658 B13R2.67 c1ccc2c(c1)CNCCCN2 Amb24183951 [0,0,1,1,0,0|2,0,0]=4 3659 B13R2.67 c1ccc2c(c1)CNCCCO2 Amb5750868 [0,0,1,1,0,0|2,0,0]=4 3660 B13R2.67 c1cnc2c(c1)CCCCCC2 Amb27212795 [0,0,1,1,0,0|1,0,0]=3 3661 B13R2.1028 CCCCC1Cc2ccccc21 Amb17758498 [0,0,1,1,0,0|2,0,0]=4 3662 B13R2.2382 c1ccc(CCCC2CO2)cc1 Amb32952083 [0,0,1,1,0,0|2,0,0]=4 3663 B13R2.2382 c1cncc(CNCC2CC2)c1 Amb6686734 [0,0,1,1,0,0|2,0,0]=4 3664 B13R2.2383 c1ccc(CCC2CNC2)cc1 Amb25266065 [0,0,1,1,0,0|1,0,0]=3 3665 B13R2.2383 c1ccc(CCC2CNC2)nc1 Amb35825200 [0,0,1,1,0,0|2,0,0]=4 3666 B13R2.2383 c1ccc(COC2CNC2)cc1 Amb17622249 [0,0,1,1,0,0|2,0,0]=4 3667 B13R2.2383 c1ccc(COC2CNC2)cc1 Amb9901995 [0,0,1,1,0,0|2,0,0]=4 3668 B13R2.2383 c1ccc(CSC2CNC2)cc1 Amb18804958 [0,0,1,1,0,0|2,0,0]=4 3669 B13R2.2383 c1ccc(NCC2CNC2)cc1 Amb27811002 [0,0,1,1,0,0|2,0,0]=4 3670 B13R2.2383 c1ccc(OCC2CNC2)cc1 Amb24726313 [0,0,1,1,0,0|2,0,0]=4 3671 B13R2.2383 c1ccc(OCC2CNC2)cc1 Amb28994527 [0,0,1,1,0,0|2,0,0]=4 3672 B13R2.2383 c1ccc(SCC2CNC2)cc1 Amb22642550 [0,0,1,1,0,0|2,0,0]=4 3673 B13R2.2383 c1ccc(SCC2CNC2)cc1 Amb32662129 [0,0,1,1,0,0|2,0,0]=4 3674 B13R2.2383 c1cnc(CNC2CNC2)cn1 Amb35646447 [0,0,1,1,0,0|2,0,0]=4 3675 B13R2.2383 c1cnc(COC2CNC2)cn1 Amb30007776 [0,0,1,1,0,0|2,0,0]=4 3676 B13R2.2383 c1cnc(NCC2CNC2)cn1 Amb27618780 [0,0,1,1,0,0|2,0,0]=4 3677 B13R2.2383 c1cncc(CNC2COC2)c1 Amb22735485 [0,0,1,1,0,0|2,0,0]=4 3678 B13R2.2383 c1cncc(COC2CNC2)c1 Amb27651018 [0,0,1,1,0,0|1,0,0]=3 3679 B13R2.2383 c1cncc(NCC2CCC2)c1 Amb27754849 [0,0,1,1,0,0|2,0,0]=4 3680 B13R2.5252 CN1CCCCc2ccccc21 Amb6359492 [0,0,1,1,0,0|1,0,0]=3 3681 B13R2.5252 CN1CCCNc2ccccc21 Amb17617816 [0,0,1,1,0,0|2,0,0]=4 3682 B13R2.5252 CN1CCCNc2nccnc21 Amb23449895 [0,0,1,1,0,0|2,0,0]=4 3683 B13R2.5252 CN1CCCSc2ccccc21 Amb28063535 [0,0,1,1,0,0|2,0,0]=4 3684 B13R2.5252 CN1CCNCc2ccccc21 Amb18047038 [0,0,1,1,0,0|2,0,0]=4 3685 B13R2.5252 CN1CCNCc2cccnc21 Amb22174183 [0,0,1,1,0,0|1,0,0]=3 3686 B13R2.5252 CN1CCNCc2cnccc21 Amb27268642 [0,0,1,1,0,0|1,0,0]=3 3687 B13R2.5252 CN1CCNCc2cncnc21 Amb28255877 [0,0,1,1,0,0|2,0,0]=4 3688 B13R2.5252 ClC1CCCCc2cccnc21 Amb27243122 [0,0,1,1,0,0|2,0,0]=4 3689 B13R2.5252 NC1CCCCc2cccnc21 Amb22499725 [0,0,1,1,0,0|2,0,0]=4 3690 B13R2.26 BrCCN1Cc2ccccc2C1 Amb20623804 [0,0,1,1,0,0|2,0,0]=4 3691 B13R2.26 CCCC1Cc2cccnc2N1 Amb27858778 [0,0,1,1,0,0|2,0,0]=4 3692 B13R2.26 ICCN1Cc2ccccc2C1 Amb28125411 [0,0,1,1,0,0|2,0,0]=4 3693 B13R2.26 NCCN1Cc2ccccc2C1 Amb10610326 [0,0,1,1,0,0|2,0,0]=4 3694 B13R2.26 NCCN1Cc2ccccc2C1 Amb6680091 [0,0,1,1,0,0|2,0,0]=4 3695 B13R2.26 NCCN1Cc2cncnc2C1 Amb18828767 [0,0,1,1,0,0|2,0,0]=4 3696 B13R2.26 OCCN1Cc2ccccc2C1 Amb19148943 [0,0,1,1,0,0|2,0,0]=4 3697 B13R2.26 OCCN1Cc2ccccc2C1 Amb1932234 [0,0,1,1,0,0|2,0,0]=4 3698 B13R2.26 OCCN1Cc2ccncc2C1 Amb27972156 [0,0,1,1,0,0|1,0,0]=3 3699 B13R2.31 CC1CC(Nc2cccnc2)C1 Amb28246306 [0,0,1,1,0,0|2,0,0]=4 3700 B13R2.31 CC1CN(Cc2cccnc2)C1 Amb27853408 [0,0,1,1,0,0|0,0,0]=2 3701 B13R2.31 CC1CN(Cc2cncnc2)C1 Amb27804666 [0,0,1,1,0,0|1,0,0]=3 3702 B13R2.31 ClC1CN(Cc2ccccc2)C1 Amb26875418 [0,0,1,1,0,0|2,0,0]=4 3703 B13R2.31 FC1CN(Cc2ccccc2)C1 Amb25872733 [0,0,1,1,0,0|2,0,0]=4 3704 B13R2.31 FC1CN(Cc2cccnc2)C1 Amb28189062 [0,0,1,1,0,0|1,0,0]=3 3705 B13R2.31 NC1CN(Cc2ccccc2)C1 Amb20240966 [0,0,1,1,0,0|2,0,0]=4 3706 B13R2.31 NC1CN(Cc2ccccc2)C1 Amb21963554 [0,0,1,1,0,0|2,0,0]=4 3707 B13R2.31 OC1CN(Cc2ccccc2)C1 Amb2699316 [0,0,1,1,0,0|2,0,0]=4 3708 B13R2.31 OC1CN(Cc2cccnc2)C1 Amb31199879 [0,0,1,1,0,0|1,0,0]=3 3709 B13R2.31 OC1CN(Cc2cnccn2)C1 Amb28140334 [0,0,1,1,0,0|2,0,0]=4 3710 B13R2.135 CN1Cc2ccccc2C1CN Amb18829570 [0,0,1,1,0,0|2,0,0]=4 3711 B13R2.135 CN1Cc2cnccc2C1CN Amb18829152 [0,0,1,1,0,0|1,0,0]=3 3712 B13R2.163 CN1CCNc2ccccc2C1 Amb18829568 [0,0,1,1,0,0|2,0,0]=4 3713 B13R2.163 CN1CCNc2ccccc2C1 Amb33249707 [0,0,1,1,0,0|2,0,0]=4 3714 B13R2.163 CN1CCNc2ncccc2C1 Amb24636765 [0,0,1,1,0,0|1,0,0]=3 3715 B13R2.163 OC1CCCc2ncccc2C1 Amb27165234 [0,0,1,1,0,0|2,0,0]=4 3716 B13R2.328 CC1CN(C)Cc2ccccc21 Amb17971060 [0,0,1,1,0,0|1,0,0]=3 3717 B13R2.328 CN1Cc2ccccc2C(N)C1 Amb25775088 [0,0,1,1,0,0|2,0,0]=4 3718 B13R2.328 CN1Cc2ccccc2C(O)C1 Amb22547514 [0,0,1,1,0,0|2,0,0]=4 3719 B13R2.444 CN(Cc1cncnc1)C2CC2 Amb27589635 [0,0,1,1,0,0|1,0,0]=3 3720 B13R2.444 O=C(Cc1cccnc1)C2CC2 Amb24717716 [0,0,1,1,0,0|2,0,0]=4 3721 B13R2.32 CC1CCc2ccncc2C1N Amb27965734 [0,0,1,1,0,0|2,0,0]=4 3722 B13R2.32 CC1CCc2ncccc2C1N Amb27445642 [0,0,1,1,0,0|2,0,0]=4 3723 B13R2.32 CC1c2ccccc2CCN1C Amb28434667 [0,0,1,1,0,0|1,0,0]=3 3724 B13R2.32 CN1CCc2ccccc2C1O Amb27193085 [0,0,1,1,0,0|2,0,0]=4 3725 B13R2.32 CN1CCc2ncccc2C1=O Amb27649099 [0,0,1,1,0,0|1,0,1]=4 3726 B13R2.45 CCN1Cc2ccncc2C1=O Amb27228910 [0,0,1,1,0,0|1,0,1]=4 3727 B13R2.633 CC1(c2cccnc2)CC1CCl Amb27836343 [0,0,1,1,0,0|2,0,0]=4 3728 B13R2.633 CC1(c2cccnc2)CC1CO Amb27761908 [0,0,1,1,0,0|2,0,0]=4 3729 B13R2.8137 CC(c1ccccc1)N2CCC2 Amb27219769 [0,0,1,1,0,0|1,0,0]=3 3730 B13R2.8137 CC(c1ccccn1)N2CCC2 Amb27827069 [0,0,1,1,0,0|2,0,0]=4 3731 B13R2.8137 CC(c1ccncc1)N2CCC2 Amb27756158 [0,0,1,1,0,0|2,0,0]=4 3732 B13R2.8137 CC(c1cnccn1)N2CCC2 Amb27664796 [0,0,1,1,0,0|1,0,0]=3 3733 B13R2.8137 CC(c1cncnc1)N2CCC2 Amb27651151 [0,0,1,1,0,0|1,0,0]=3 3734 B13R2.8137 NC(c1cccnc1)C2CCC2 Amb22642958 [0,0,1,1,0,0|2,0,0]=4 3735 B13R2.8137 NC(c1cccnc1)C2CCC2 Amb35745695 [0,0,1,1,0,0|2,0,0]=4 3736 B13R2.8137 N[C@@H](c1cccnc1)C2CCC2 Amb24702315 [0,0,1,1,0,0|2,0,0]=4 3737 B13R2.8137 N[C@@H](c1cccnc1)C2CCC2 Amb33620959 [0,0,1,1,0,0|2,0,0]=4 3738 B13R2.8137 N[C@H](c1cccnc1)C2CCC2 Amb28203678 [0,0,1,1,0,0|2,0,0]=4 3739 B13R2.8137 O=C(c1cccnc1)N2CCC2 Amb8343964 [0,0,1,1,0,0|1,0,1]=4 3740 B13R2.8137 OC(c1cccnc1)C2CCC2 Amb28250102 [0,0,1,1,0,0|2,0,0]=4 3741 B13R2.255 CN1C2CC=C(\C=N/O)C1CC2 Amb27645343 [0,0,1,1,0,0|1,0,1]=4 3742 B13R2.29 CN1CCCC1Cn2cccn2 Amb27763914 [0,0,1,1,0,0|1,0,1]=4 3743 B13R2.29 CN1CCCC1Cn2ccnc2 Amb27808448 [0,0,1,1,0,0|1,0,1]=4 3744 B13R2.72 CN(C)C1CNc2ccccc21 Amb25762800 [0,0,1,1,0,0|2,0,0]=4 3745 B13R2.439 CC(=O)C1(c2cccnc2)CC1 Amb33449248 [0,0,1,1,0,0|2,0,0]=4 3746 B13R2.439 CC(N)C1(c2cccnc2)CC1 Amb33360039 [0,0,1,1,0,0|2,0,0]=4 3747 B13R2.439 CC(O)C1(c2cccnc2)CC1 Amb33360038 [0,0,1,1,0,0|2,0,0]=4 3748 B13R2.3080 CC1(C)C(N)C1c2cccnc2 Amb26029031 [0,0,1,1,0,0|2,0,0]=4 3749 B13R2.3080 CC1(C)[C@@H](N)[C@@H]1c2cccnc2 Amb33360041 [0,0,1,1,0,0|2,0,0]=4 3750 B13R3.1962 C1=CC2NC1c3ccncc32 Amb27595552 [1,0,0,1,0,0|0,0,2]=4 3751 B13R3.1962 C1=C[C@H]2C[C@@H]1c3ncccc32 Amb27848529 [1,0,0,1,0,0|1,0,1]=4 3752 B13R3.1962 c1cc2c(cn1)C3CCC2N3 Amb27881571 [1,0,0,1,0,0|0,0,0]=2 3753 B13R3.1962 c1cc2c(cn1)[C@@H]3CC[C@H]2C3 Amb27983543 [1,0,0,1,0,0|1,0,0]=3 3754 B13R3.1962 c1ccc2c(c1)C3CCC2C3 Amb29838327 [1,0,0,1,0,0|2,0,0]=4 3755 B13R3.1962 c1ccc2c(c1)C3CCC2N3 Amb18124757 [1,0,0,1,0,0|1,0,0]=3 3756 B13R3.1962 c1ccc2c(c1)C3CCC2N3 Amb33378977 [1,0,0,1,0,0|1,0,0]=3 3757 B13R3.1962 c1ccc2c(c1)C3CNC2C3 Amb18124756 [1,0,0,1,0,0|1,0,0]=3 3758 B13R3.1962 c1ccc2c(c1)C3CNC2C3 Amb32663252 [1,0,0,1,0,0|1,0,0]=3 3759 B13R3.1962 c1ccc2c(c1)[C@@H]3CC[C@H]2N3 Amb10606699 [1,0,0,1,0,0|1,0,0]=3 3760 B13R3.1962 c1ccc2c(c1)[C@@H]3CC[C@H]2O3 Amb25679044 [1,0,0,1,0,0|2,0,0]=4 3761 B13R3.1962 c1cnc2c(c1)C3CCC2N3 Amb27435588 [1,0,0,1,0,0|0,0,0]=2 3762 B13R3.1962 c1cnc2c(c1)C3CCC2N3 Amb28872309 [1,0,0,1,0,0|0,0,0]=2 3763 B13R3.1962 c1cnc2c(n1)C3CCC2C3 Amb23589701 [1,0,0,1,0,0|2,0,0]=4 3764 B15R3.1740 c1cc2c(cn1)C3CNCC(C2)C3 Amb27478056 [0,0,0,1,0,1|2,0,0]=4 3765 B15R3.1740 c1ccc2c(c1)CN3CCNC2C3 Amb28323173 [0,0,0,1,0,1|2,0,0]=4 3766 B15R3.2013 CC1=CC2CCC1c3ccccc32 Amb6359911 [0,0,0,1,0,1|2,0,0]=4 3767 B15R3.2013 CN1C[C@H]2CC[C@H]1c3ccccc32 Amb28054760 [0,0,0,1,0,1|1,0,0]=3 3768 B15R3.4209 c1ccc(C2C[C@@H]3CC[C@H]2C3)cc1 Amb27470286 [0,0,0,1,0,1|2,0,0]=4 3769 B15R3.4209 c1cncc([C@H]2C[C@@H]3CC[C@H]2N3)c1 Amb25194739 [0,0,0,1,0,1|2,0,0]=4 3770 B15R3.3 c1ccc2c(c1)CN3CCCN=C23 Amb27202615 [0,0,0,1,0,1|1,0,1]=4 3771 B15R3.3 c1ccc2c(c1)CN3CCNCC23 Amb17194186 [0,0,0,1,0,1|1,0,0]=3 3772 B15R3.3 c1ccc2c(c1)C[C@@H]3NCCC[C@@H]23 Amb28132422 [0,0,0,1,0,1|2,0,0]=4 3773 B15R3.3 c1ccc2c(c1)ON3CCCCC23 Amb27180426 [0,0,0,1,0,1|2,0,0]=4 3774 B15R3.3 c1cnc2c(c1)C3CCCCC3N2 Amb27960606 [0,0,0,1,0,1|2,0,0]=4 3775 B15R3.3 c1cnc2c(c1)[C@@H]3CCNC[C@@H]3O2 Amb25227407 [0,0,0,1,0,1|2,0,0]=4 3776 B15R3.3 c1cnc2c(c1)[C@H]3CCNC[C@H]3O2 Amb27848553 [0,0,0,1,0,1|2,0,0]=4 3777 B15R3.3 c1cnc2nn3c(c2c1)NCCC3 Amb26415114 [0,0,0,1,0,1|1,0,1]=4 3778 B15R3.1726 c1cncc(N2CCN3CC2C3)c1 Amb27783942 [0,0,0,1,0,1|2,0,0]=4 3779 B15R3.2250 CC1NCC2CC21c3ccccc3 Amb27623144 [0,0,0,1,0,1|2,0,0]=4 3780 B15R3.1722 c1cncc(C2CC3CNCC32)c1 Amb27790921 [0,0,0,1,0,1|2,0,0]=4 3781 B15R3.1722 c1cncc(N2CC3CNCC32)c1 Amb27791846 [0,0,0,1,0,1|2,0,0]=4 3782 B15R3.4213 c1cncc(NC2CC[C@H]3C[C@@H]23)c1 Amb27859823 [0,0,0,1,0,1|1,0,0]=3 3783 B15R3.4213 c1ncc(NC2CCC3CC32)cn1 Amb27791529 [0,0,0,1,0,1|2,0,0]=4 3784 B15R3.4266 c1ccc2c(c1)CC3CCCN3C2 Amb27249536 [0,0,0,1,0,1|1,0,0]=3 3785 B15R3.4266 c1ccc2c(c1)CC3NCCN3C2 Amb27415824 [0,0,0,1,0,1|2,0,0]=4 3786 B15R3.4266 c1ccc2c(c1)CN3CCCC3=N2 Amb17760619 [0,0,0,1,0,1|1,0,1]=4 3787 B15R3.4266 c1ccc2c(c1)CN3CCCC3=N2 Amb30588216 [0,0,0,1,0,1|1,0,1]=4 3788 B15R3.4266 c1ccc2c(c1)CN3CCCC3=N2 Amb533489 [0,0,0,1,0,1|1,0,1]=4 3789 B15R3.4266 c1ccc2c(c1)CN3CCCC3N2 Amb27965441 [0,0,0,1,0,1|1,0,0]=3 3790 B15R3.4266 c1ccc2c(c1)C[C@@H]3CCC[C@@H]3N2 Amb27200821 [0,0,0,1,0,1|2,0,0]=4 3791 B15R3.4266 c1ccc2c(c1)C[C@H]3CCC[C@H]3N2 Amb27422003 [0,0,0,1,0,1|2,0,0]=4 3792 B15R3.4266 c1cnc2c(c1)CC3CCCC3C2 Amb27867058 [0,0,0,1,0,1|1,0,0]=3 3793 B15R3.4266 c1cnc2c(c1)CC3CCCC3N2 Amb18825229 [0,0,0,1,0,1|2,0,0]=4 3794 B15R3.4266 c1cnc2c(c1)CN3CCCC3N2 Amb22495937 [0,0,0,1,0,1|2,0,0]=4 3795 B15R3.4266 c1cnc2c(n1)CN3CCCC3N2 Amb27180024 [0,0,0,1,0,1|1,0,0]=3 3796 B15R3.31252 c1cnc(NC23CCCC2C3)cn1 Amb35713625 [0,0,0,1,0,1|2,0,0]=4 3797 B15R3.31252 c1cnnc(NC23CCCC2C3)c1 Amb35713627 [0,0,0,1,0,1|2,0,0]=4 3798 B15R3.173 CN1c2ccccc2C3CCCC31 Amb23400847 [0,1,0,1,0,0|2,0,0]=4 3799 B15R3.173 O=C1c2ccccc2C3CCCN13 Amb28143803 [0,1,0,1,0,0|1,0,1]=4 3800 B15R3.173 OC1c2ccccc2C3CCCC13 Amb27484710 [0,1,0,1,0,0|2,0,0]=4 3801 B15R3.1248 NC[C@H]1C[C@@H]2C[C@H]1c3ccccc32 Amb28241484 [0,1,0,1,0,0|2,0,0]=4 3802 B15R3.1248 OC[C@@H]1C[C@@H]2C[C@H]1c3ccccc32 Amb27485922 [0,1,0,1,0,0|2,0,0]=4 3803 B15R3.1739 c1cc2c(cn1)[C@@H]3NCC[C@@H]3CC2 Amb27239959 [0,1,0,1,0,0|2,0,0]=4 3804 B15R3.1739 c1cc2c(cn1)[C@@H]3NCC[C@@H]3CO2 Amb27230449 [0,1,0,1,0,0|2,0,0]=4 3805 B15R3.1739 c1ccc2c(c1)CCN3CCC[C@@H]23 Amb28243526 [0,1,0,1,0,0|1,0,0]=3 3806 B15R3.1739 c1ccc2c(c1)CCN3CCNC23 Amb27872377 [0,1,0,1,0,0|2,0,0]=4 3807 B15R3.1739 c1ccc2c(c1)NC[C@H]3CCC[C@@H]23 Amb22748282 [0,1,0,1,0,0|2,0,0]=4 3808 B15R3.1739 c1cnc2c(c1)N3CCC[C@@H]3CN2 Amb18825133 [0,1,0,1,0,0|2,0,0]=4 3809 B15R3.1739 c1cnc2c(c1)[C@@H]3NCC[C@@H]3CC2 Amb27209000 [0,1,0,1,0,0|2,0,0]=4 3810 B15R3.4201 c1cncc([C@]23CC[C@H]2CCN3)c1 Amb32755931 [0,1,0,1,0,0|2,0,0]=4 3811 B15R3.4204 c1ccc(C2C3CCN2CC3)cc1 Amb27445479 [0,1,0,1,0,0|1,0,0]=3 3812 B15R3.10083 O[C@@H]1CC[C@@H]2Cc3ccccc3[C@H]12 Amb27457974 [0,1,0,1,0,0|2,0,0]=4 3813 B15R3.8713 C[C@@]12CCC[C@@H]1c3ccccc3N2 Amb28070998 [0,1,0,1,0,0|2,0,0]=4 3814 B15R3.15228 Clc1ccnc2c1C3CC2CC3Cl Amb27837287 [0,1,0,1,0,0|2,0,0]=4 3815 B15R3.9465 N[C@@]1(c2ccccc2)CC[C@@H]3C[C@@H]31 Amb27860176 [0,1,0,1,0,0|2,0,0]=4 3816 B15R3.9465 OC1(c2cccnc2)CCC3CC31 Amb28207504 [0,1,0,1,0,0|1,0,0]=3 3817 B15R3.9465 OC1(c2cnccn2)CCC3CC31 Amb27188556 [0,1,0,1,0,0|2,0,0]=4 3818 B15R3.2009 NC1CC2c3ccccc3CN2C1 Amb18197528 [0,1,0,1,0,0|1,0,0]=3 3819 B15R3.2009 OC1CC2Cc3ccccc3C2C1 Amb27650437 [0,1,0,1,0,0|2,0,0]=4 3820 B15R3.1899 Cc1cc2c(cn1)[C@H]3C[C@@H]2C[C@@H]3O Amb28249155 [0,1,0,1,0,0|2,0,0]=4 3821 B15R3.1899 Clc1cc2c(cn1)C3CC2CC3Cl Amb26365968 [0,1,0,1,0,0|2,0,0]=4 3822 B15R3.1899 Clc1ccc2c(n1)C3CC(Cl)C2C3 Amb27194371 [0,1,0,1,0,0|2,0,0]=4 3823 B15R3.1899 O[C@H]1C[C@H]2C[C@@H]1c3cnc(Cl)cc32 Amb27775816 [0,1,0,1,0,0|2,0,0]=4 3824 B15R3.6199 Nc1ccc(C23CCCC2C3)cc1 Amb27657700 [0,1,0,1,0,0|2,0,0]=4 3825 B15R3.9094 C[C@H]1[C@@H]2C[C@H](c3ccccc32)[C@H]1N Amb28066795 [0,1,0,1,0,0|2,0,0]=4 3826 B11R1.30 CN(CCBr)Cc1ccco1 Amb27271301 [0,0,1,0,1,0|2,0,0]=4 3827 B11R1.30 CN(CCBr)Cc1cscn1 Amb27672514 [0,0,1,0,1,0|2,0,0]=4 3828 B11R1.30 CN(CCBr)Cc1nccs1 Amb27670654 [0,0,1,0,1,0|2,0,0]=4 3829 B11R1.30 CN(CCCl)Cc1ccco1 Amb17334967 [0,0,1,0,1,0|2,0,0]=4 3830 B11R1.30 CN(CCCl)Cc1cccs1 Amb18317286 [0,0,1,0,1,0|2,0,0]=4 3831 B11R1.30 CN(CCCl)Cc1cscn1 Amb18320729 [0,0,1,0,1,0|2,0,0]=4 3832 B11R1.30 CN(CCCl)Cc1nccs1 Amb27266668 [0,0,1,0,1,0|2,0,0]=4 3833 B11R1.30 CN(CCN)Cc1ccco1 Amb9388020 [0,0,1,0,1,0|2,0,0]=4 3834 B11R1.30 CN(CCN)Cc1cccs1 Amb8956780 [0,0,1,0,1,0|2,0,0]=4 3835 B11R1.30 CN(CCN)Cc1ccon1 Amb27269634 [0,0,1,0,1,0|2,0,0]=4 3836 B11R1.30 CN(CCN)Cc1cscn1 Amb18306782 [0,0,1,0,1,0|2,0,0]=4 3837 B11R1.30 CN(CCN)Cc1nccs1 Amb27671137 [0,0,1,0,1,0|2,0,0]=4 3838 B11R1.30 CN(CCO)Cc1ccco1 Amb9388504 [0,0,1,0,1,0|2,0,0]=4 3839 B11R1.30 CN(CCO)Cc1cccs1 Amb9251208 [0,0,1,0,1,0|2,0,0]=4 3840 B11R1.30 CN(CCO)Cc1ccno1 Amb18799661 [0,0,1,0,1,0|2,0,0]=4 3841 B11R1.30 CN(CCO)Cc1ccon1 Amb28387174 [0,0,1,0,1,0|2,0,0]=4 3842 B11R1.30 CN(CCO)Cc1cscn1 Amb18185741 [0,0,1,0,1,0|2,0,0]=4 3843 B11R1.30 CN(CCO)Cc1nccs1 Amb27266656 [0,0,1,0,1,0|2,0,0]=4 3844 B11R1.31 CCC(C)C(C)n1cccc1 Amb18179411 [0,0,1,0,1,0|2,0,0]=4 3845 B11R1.31 CCC(C)C(C)n1ccnc1 Amb28143020 [0,0,1,0,1,0|2,0,0]=4 3846 B11R1.31 CCN(C)C(C)c1ccoc1 Amb28063592 [0,0,1,0,1,0|1,0,0]=3 3847 B11R1.31 CCN(C)C(C)c1cncs1 Amb27977279 [0,0,1,0,1,0|1,0,0]=3 3848 B11R1.31 CCN(C)C(C)c1cscn1 Amb27826743 [0,0,1,0,1,0|1,0,0]=3 3849 B11R1.298 CN(C)C(CCl)c1ccco1 Amb17232987 [0,0,1,0,1,0|2,0,0]=4 3850 B11R1.298 CN(C)C(CCl)c1cccs1 Amb17234842 [0,0,1,0,1,0|2,0,0]=4 3851 B11R1.298 CN(C)C(CN)c1ccco1 Amb433884 [0,0,1,0,1,0|2,0,0]=4 3852 B11R1.298 CN(C)C(CN)c1cccs1 Amb2589577 [0,0,1,0,1,0|2,0,0]=4 3853 B11R1.298 CN(C)C(CN)c1ccsc1 Amb1141552 [0,0,1,0,1,0|2,0,0]=4 3854 B11R1.298 CN(C)C(CN)c1cnoc1 Amb18200428 [0,0,1,0,1,0|2,0,0]=4 3855 B11R1.298 CN(C)C(CO)c1ccco1 Amb17232148 [0,0,1,0,1,0|2,0,0]=4 3856 B11R1.298 CN(C)C(CO)c1cccs1 Amb17232838 [0,0,1,0,1,0|2,0,0]=4 3857 B11R2.2 C1=C\C(=C2/CCCN2)N=C1 Amb25967654 [1,0,0,0,1,0|0,0,1]=3 3858 B11R2.2 c1cc(C2CCCC2)no1 Amb27229865 [1,0,0,0,1,0|2,0,0]=4 3859 B11R2.2 c1cc(C2CCCN2)co1 Amb4134990 [1,0,0,0,1,0|1,0,0]=3 3860 B11R2.2 c1cc(C2CCCN2)cs1 Amb9713849 [1,0,0,0,1,0|1,0,0]=3 3861 B11R2.2 c1cc(C2CCCN2)no1 Amb16187079 [1,0,0,0,1,0|1,0,0]=3 3862 B11R2.2 c1cc(C2CCCN2)on1 Amb22411385 [1,0,0,0,1,0|1,0,0]=3 3863 B11R2.2 c1cc(C2CCCN2)sn1 Amb27776266 [1,0,0,0,1,0|1,0,0]=3 3864 B11R2.2 c1cc(C2NCCS2)cs1 Amb18180340 [1,0,0,0,1,0|2,0,0]=4 3865 B11R2.2 c1cc(C2NCCS2)sn1 Amb35719578 [1,0,0,0,1,0|2,0,0]=4 3866 B11R2.2 c1cc([C@@H]2CCCN2)co1 Amb27413015 [1,0,0,0,1,0|1,0,0]=3 3867 B11R2.2 c1cc([C@@H]2CCCN2)no1 Amb33456910 [1,0,0,0,1,0|1,0,0]=3 3868 B11R2.2 c1cc([C@H]2CCCN2)co1 Amb28457577 [1,0,0,0,1,0|1,0,0]=3 3869 B11R2.2 c1cc([C@H]2CCCN2)no1 Amb33456920 [1,0,0,0,1,0|1,0,0]=3 3870 B11R2.2 c1cnn(C2CCCC2)c1 Amb6890449 [1,0,0,0,1,0|2,0,0]=4 3871 B11R2.2 c1coc(C2CCCN2)c1 Amb10606441 [1,0,0,0,1,0|1,0,0]=3 3872 B11R2.2 c1coc(C2CCCN2)c1 Amb1839659 [1,0,0,0,1,0|1,0,0]=3 3873 B11R2.2 c1coc(C2CCCN2)n1 Amb18061837 [1,0,0,0,1,0|1,0,0]=3 3874 B11R2.2 c1coc(C2CCCN2)n1 Amb31197920 [1,0,0,0,1,0|1,0,0]=3 3875 B11R2.2 c1coc(C2NCCO2)c1 Amb17334168 [1,0,0,0,1,0|2,0,0]=4 3876 B11R2.2 c1coc(C2NCCS2)c1 Amb1023429 [1,0,0,0,1,0|2,0,0]=4 3877 B11R2.2 c1coc([C@@H]2CCCN2)c1 Amb27768861 [1,0,0,0,1,0|1,0,0]=3 3878 B11R2.2 c1coc([C@H]2CCCN2)c1 Amb27815012 [1,0,0,0,1,0|1,0,0]=3 3879 B11R2.2 c1csc(C2CCCC2)n1 Amb10601015 [1,0,0,0,1,0|2,0,0]=4 3880 B11R2.2 c1csc(C2CCCN2)c1 Amb9722526 [1,0,0,0,1,0|1,0,0]=3 3881 B11R2.2 c1csc(C2CCCN2)n1 Amb2235139 [1,0,0,0,1,0|1,0,0]=3 3882 B11R2.2 c1csc(C2CCCN2)n1 Amb32927483 [1,0,0,0,1,0|1,0,0]=3 3883 B11R2.2 c1csc(C2CCCO2)c1 Amb17334367 [1,0,0,0,1,0|2,0,0]=4 3884 B11R2.2 c1csc(C2CCC[NH2+]2)c1 Amb33512977 [1,0,0,0,1,0|1,0,1]=4 3885 B11R2.2 c1csc(C2NCCO2)c1 Amb17334383 [1,0,0,0,1,0|2,0,0]=4 3886 B11R2.2 c1csc([C@@H]2CCCN2)c1 Amb27627403 [1,0,0,0,1,0|1,0,0]=3 3887 B11R2.2 c1csc([C@@H]2CCCN2)n1 Amb25888193 [1,0,0,0,1,0|1,0,0]=3 3888 B11R2.2 c1csc([C@H]2CCCN2)c1 Amb28126740 [1,0,0,0,1,0|1,0,0]=3 3889 B11R2.2 c1csc([C@H]2CCCN2)n1 Amb28049540 [1,0,0,0,1,0|1,0,0]=3 3890 B11R2.2 c1nc(C2CCCN2)co1 Amb27407833 [1,0,0,0,1,0|1,0,0]=3 3891 B11R2.2 c1nc(C2CCCN2)cs1 Amb18560811 [1,0,0,0,1,0|1,0,0]=3 3892 B11R2.2 c1nc(C2CCCN2)no1 Amb22059099 [1,0,0,0,1,0|2,0,0]=4 3893 B11R2.2 c1nc(C2CCCN2)no1 Amb32701595 [1,0,0,0,1,0|2,0,0]=4 3894 B11R2.2 c1nc(C2NCCS2)cs1 Amb27752287 [1,0,0,0,1,0|2,0,0]=4 3895 B11R2.2 c1nc([C@H]2CCCN2)co1 Amb18832200 [1,0,0,0,1,0|1,0,0]=3 3896 B11R2.2 c1nc([C@H]2CCCN2)cs1 Amb28204391 [1,0,0,0,1,0|1,0,0]=3 3897 B11R2.2 c1ncc(C2CCCC2)o1 Amb30019097 [1,0,0,0,1,0|2,0,0]=4 3898 B11R2.2 c1ncc(C2CCCN2)o1 Amb22642466 [1,0,0,0,1,0|1,0,0]=3 3899 B11R2.2 c1ncc(C2CCCN2)o1 Amb34912936 [1,0,0,0,1,0|1,0,0]=3 3900 B11R2.2 c1ncc(C2CCCN2)s1 Amb8010238 [1,0,0,0,1,0|1,0,0]=3 3901 B11R2.2 c1ncc(C2CCCO2)o1 Amb35652263 [1,0,0,0,1,0|2,0,0]=4 3902 B11R2.2 c1ncc([C@@H]2CCCN2)o1 Amb28050339 [1,0,0,0,1,0|1,0,0]=3 3903 B11R2.2 c1nnc(C2CCCN2)o1 Amb17079559 [1,0,0,0,1,0|2,0,0]=4 3904 B11R2.2 c1nnc(C2CCCN2)s1 Amb25864353 [1,0,0,0,1,0|2,0,0]=4 3905 B11R2.2 c1noc(C2CCCN2)n1 Amb28555430 [1,0,0,0,1,0|2,0,0]=4 3906 B11R2.2 c1nsc(C2CCCN2)n1 Amb27425088 [1,0,0,0,1,0|2,0,0]=4 3907 B11R2.2 c1nsc([C@@H]2CCCN2)n1 Amb27256184 [1,0,0,0,1,0|2,0,0]=4 3908 B11R2.2 c1nscc1C2CCCN2 Amb29867716 [1,0,0,0,1,0|1,0,0]=3 3909 B11R2.2 c1snnc1C2CCCN2 Amb25109611 [1,0,0,0,1,0|2,0,0]=4 3910 B11R2.239 C1=C(c2cccnc2)CC1 Amb32668896 [1,0,0,0,1,0|0,0,2]=4 3911 B11R2.239 c1cc(C2CCC2)ccn1 Amb22898826 [1,0,0,0,1,0|2,0,0]=4 3912 B11R2.239 c1cc(C2CCN2)ccn1 Amb26960403 [1,0,0,0,1,0|2,0,0]=4 3913 B11R2.239 c1ccc(C2CCC2)cc1 Amb27466141 [1,0,0,0,1,0|1,0,0]=3 3914 B11R2.239 c1ccc(C2CCC2)nc1 Amb27796341 [1,0,0,0,1,0|2,0,0]=4 3915 B11R2.239 c1ccc(C2CCN2)cc1 Amb34912959 [1,0,0,0,1,0|1,0,0]=3 3916 B11R2.239 c1ccc(C2CCN2)cc1 Amb6893889 [1,0,0,0,1,0|1,0,0]=3 3917 B11R2.239 c1ccc(C2CCN2)nc1 Amb25849292 [1,0,0,0,1,0|2,0,0]=4 3918 B11R2.239 c1ccc(C2CCS2)cc1 Amb27839415 [1,0,0,0,1,0|2,0,0]=4 3919 B11R2.239 c1ccc(C2CNC2)cc1 Amb10603719 [1,0,0,0,1,0|2,0,0]=4 3920 B11R2.239 c1ccc(C2CNC2)cc1 Amb4124710 [1,0,0,0,1,0|2,0,0]=4 3921 B11R2.239 c1ccc([C@@H]2CCO2)cc1 Amb25721124 [1,0,0,0,1,0|2,0,0]=4 3922 B11R2.239 c1ccc([C@H]2CCN2)cc1 Amb27874787 [1,0,0,0,1,0|1,0,0]=3 3923 B11R2.239 c1cnc(C2CCN2)cn1 Amb26026804 [1,0,0,0,1,0|1,0,0]=3 3924 B11R2.239 c1cnc(C2CNC2)cn1 Amb26946675 [1,0,0,0,1,0|2,0,0]=4 3925 B11R2.239 c1cncc(C2CCN2)c1 Amb8010869 [1,0,0,0,1,0|0,0,0]=2 3926 B11R2.239 c1cncc(C2CNC2)c1 Amb19516797 [1,0,0,0,1,0|1,0,0]=3 3927 B11R2.239 c1cncc(C2CNC2)c1 Amb20620349 [1,0,0,0,1,0|1,0,0]=3 3928 B11R2.239 c1cncc(C2CNC2)c1 Amb32410212 [1,0,0,0,1,0|1,0,0]=3 3929 B11R2.239 c1cncc([C@H]2CCN2)c1 Amb27241453 [1,0,0,0,1,0|0,0,0]=2 3930 B11R2.239 c1cnnc(N2CCC2)c1 Amb27980271 [1,0,0,0,1,0|2,0,0]=4 3931 B11R2.239 c1ncc(C2CCN2)cn1 Amb27173286 [1,0,0,0,1,0|1,0,0]=3 3932 B11R2.239 c1ncc(C2CNC2)cn1 Amb26369795 [1,0,0,0,1,0|2,0,0]=4 3933 B11R2.239 c1ncc(C2CNC2)cn1 Amb34931999 [1,0,0,0,1,0|2,0,0]=4 3934 B11R2.7 CC1CCC1n2cccc2 Amb27412309 [0,0,0,0,2,0|2,0,0]=4 3935 B11R2.4 Br[C@@H]1C[C@H]1c2cccnc2 Amb27190974 [0,0,0,0,2,0|2,0,0]=4 3936 B11R2.4 CN1C[C@@H]1c2ccccc2 Amb33621244 [0,0,0,0,2,0|1,0,0]=3 3937 B11R2.4 CN1C[C@H]1c2ccccc2 Amb33621243 [0,0,0,0,2,0|1,0,0]=3 3938 B11R2.4 NC1CC1c2cccnc2 Amb33447000 [0,0,0,0,2,0|2,0,0]=4 3939 B11R2.4 NC1CC1c2cccnc2 Amb9677232 [0,0,0,0,2,0|2,0,0]=4 3940 B11R2.4 NN1CC1c2ccccc2 Amb17593419 [0,0,0,0,2,0|2,0,0]=4 3941 B11R2.4 N[C@@H]1C[C@H]1c2cccnc2 Amb26947679 [0,0,0,0,2,0|2,0,0]=4 3942 B11R2.4 N[C@@H]1C[C@H]1c2cccnc2 Amb33473670 [0,0,0,0,2,0|2,0,0]=4 3943 B11R2.4 N[C@H]1C[C@@H]1c2cccnc2 Amb24604839 [0,0,0,0,2,0|2,0,0]=4 3944 B13R1.11 CC(CO)NC(C)c1cccnc1 Amb9359791 [0,0,1,0,0,1|2,0,0]=4 3945 B13R1.11 CCC(=O)NC(C)c1cccnc1 Amb27474655 [0,0,1,0,0,1|2,0,0]=4 3946 B13R1.11 CCC(C)NC(C)c1ccccc1 Amb2612137 [0,0,1,0,0,1|2,0,0]=4 3947 B13R1.11 CCC(C)NC(C)c1cccnc1 Amb6685837 [0,0,1,0,0,1|1,0,0]=3 3948 B13R1.11 CCN(C)\N=C(\C)c1cccnc1 Amb27651449 [0,0,1,0,0,1|0,0,1]=3 3949 B13R1.418 CCC(Nc1ccccc1)C(C)C Amb9622185 [0,0,1,0,0,1|2,0,0]=4 3950 B13R1.418 CCC(Nc1cnccn1)C(C)C Amb19017051 [0,0,1,0,0,1|2,0,0]=4 3951 B13R1.418 CC\C(=N\c1cnccn1)N(C)C Amb27875391 [0,0,1,0,0,1|1,0,1]=4 3952 B13R1.418 CN(C)C(C#N)Cc1cccnc1 Amb17233125 [0,0,1,0,0,1|1,0,1]=4 3953 B13R1.418 CN(C)C(CN)Cc1ccccc1 Amb433665 [0,0,1,0,0,1|2,0,0]=4 3954 B13R1.418 CN(C)C(CN)Cc1cccnc1 Amb17233629 [0,0,1,0,0,1|1,0,0]=3 3955 B15R2.31 CC1CC(Nc2cccnc2)CCN1 Amb35685353 [0,0,0,0,0,2|2,0,0]=4 3956 B15R2.31 CC1CCCC(Cc2ccccc2)N1 Amb28146808 [0,0,0,0,0,2|2,0,0]=4 3957 B15R2.31 CC1CCCC(Nc2ccccc2)C1 Amb33527379 [0,0,0,0,0,2|2,0,0]=4 3958 B15R2.31 CC1CCCC(Oc2ccccc2)C1 Amb28197984 [0,0,0,0,0,2|2,0,0]=4 3959 B15R2.31 CC1CCCC(Oc2cccnc2)C1 Amb27879334 [0,0,0,0,0,2|1,0,0]=3 3960 B15R2.31 CC1CCCN(Cc2cccnc2)C1 Amb10815533 [0,0,0,0,0,2|2,0,0]=4 3961 B15R2.31 CC1CNCC(Nc2cccnc2)C1 Amb35698594 [0,0,0,0,0,2|2,0,0]=4 3962 B15R2.31 CN1CCCC(Nc2ccccc2)C1 Amb23441020 [0,0,0,0,0,2|1,0,0]=3 3963 B15R2.31 CN1CCCC(Oc2ccccc2)C1 Amb27244816 [0,0,0,0,0,2|1,0,0]=3 3964 B15R2.31 CN1CCNC(Cc2ccccc2)C1 Amb18564794 [0,0,0,0,0,2|2,0,0]=4 3965 B15R2.31 CN1CCNC(Cc2cccnc2)C1 Amb18565009 [0,0,0,0,0,2|1,0,0]=3 3966 B15R2.31 CN1CCN[C@@H](Cc2ccccc2)C1 Amb27791815 [0,0,0,0,0,2|2,0,0]=4 3967 B15R2.31 CN1CCN[C@H](Cc2ccccc2)C1 Amb25381177 [0,0,0,0,0,2|2,0,0]=4 3968 B15R2.543 CC1CN(c2cccnc2)CCCN1 Amb27611857 [0,0,0,0,0,2|2,0,0]=4 3969 B15R2.543 CC1CNCCC(c2ccccc2)O1 Amb32648095 [0,0,0,0,0,2|2,0,0]=4 3970 B15R2.543 CN1CCCNC(c2ccccc2)C1 Amb17578546 [0,0,0,0,0,2|1,0,0]=3 3971 B15R2.543 CN1CCCNC(c2ccccc2)C1 Amb32652244 [0,0,0,0,0,2|1,0,0]=3 3972 B15R2.543 CN1CCNCC(c2ccccc2)C1 Amb27209573 [0,0,0,0,0,2|1,0,0]=3 3973 B15R2.543 ClC1CCCCC(c2cccnc2)C1 Amb28123867 [0,0,0,0,0,2|2,0,0]=4 3974 B15R2.543 O=C1CCCCC(c2cccnc2)C1 Amb28430436 [0,0,0,0,0,2|2,0,0]=4 3975 B15R2.548 CC1CCNC(c2cccnc2)CC1 Amb27957038 [0,0,0,0,0,2|2,0,0]=4 3976 B15R2.548 CN1CCCN(c2cnccn2)CC1 Amb25952788 [0,0,0,0,0,2|2,0,0]=4 3977 B15R2.548 CN1CCNC(c2ccccc2)CC1 Amb18564796 [0,0,0,0,0,2|2,0,0]=4 3978 B15R2.548 CN1CCNC(c2cccnc2)CC1 Amb18565011 [0,0,0,0,0,2|1,0,0]=3 3979 B15R2.38 BrC1CCCCC1Cc2cccnc2 Amb28342052 [0,0,0,0,0,2|2,0,0]=4 3980 B15R2.38 CC1=CCCCC1Nc2ccccc2 Amb27386663 [0,0,0,0,0,2|2,0,0]=4 3981 B15R2.38 CC1=CCCCC1Oc2ccccc2 Amb6359702 [0,0,0,0,0,2|2,0,0]=4 3982 B15R2.38 CC1CCCCC1Nc2ccccc2 Amb4304153 [0,0,0,0,0,2|2,0,0]=4 3983 B15R2.38 CC1CCCNC1Cc2ccccc2 Amb28142757 [0,0,0,0,0,2|2,0,0]=4 3984 B15R2.38 CC1CCNCC1Cc2ccccc2 Amb28342819 [0,0,0,0,0,2|2,0,0]=4 3985 B15R2.38 CC1CCNCC1Cc2cncnc2 Amb27418240 [0,0,0,0,0,2|2,0,0]=4 3986 B15R2.38 CC1CCNCC1Nc2cccnn2 Amb28193813 [0,0,0,0,0,2|2,0,0]=4 3987 B15R2.38 CC1CNCCC1Cc2ccccc2 Amb24677862 [0,0,0,0,0,2|2,0,0]=4 3988 B15R2.38 CC1CNCCC1Nc2ccccc2 Amb25106784 [0,0,0,0,0,2|2,0,0]=4 3989 B15R2.38 CC1CNCCC1Nc2cccnn2 Amb27434566 [0,0,0,0,0,2|2,0,0]=4 3990 B15R2.38 CC1CNCCC1Nc2cnccn2 Amb28192671 [0,0,0,0,0,2|2,0,0]=4 3991 B15R2.38 CC1CNCCC1Oc2ccccc2 Amb27856844 [0,0,0,0,0,2|2,0,0]=4 3992 B15R2.38 CC1CNCCN1Cc2cccnc2 Amb17235191 [0,0,0,0,0,2|2,0,0]=4 3993 B15R2.38 CC1COCCC1Nc2cnccn2 Amb27951196 [0,0,0,0,0,2|2,0,0]=4 3994 B15R2.38 CC1NCCCC1Cc2ccccc2 Amb27748401 [0,0,0,0,0,2|2,0,0]=4 3995 B15R2.38 CC1NCCCC1Nc2ccccc2 Amb27846801 [0,0,0,0,0,2|2,0,0]=4 3996 B15R2.38 CC1NCCCC1Nc2cccnc2 Amb27846802 [0,0,0,0,0,2|1,0,0]=3 3997 B15R2.38 CC1NCCCC1Nc2cccnn2 Amb28422013 [0,0,0,0,0,2|2,0,0]=4 3998 B15R2.38 CC1NCCCC1Nc2cnccn2 Amb27189816 [0,0,0,0,0,2|2,0,0]=4 3999 B15R2.38 CC1NCCCC1Nc2cncnc2 Amb28349220 [0,0,0,0,0,2|2,0,0]=4 4000 B15R2.38 CN1CCNCC1Cc2ccccc2 Amb17578543 [0,0,0,0,0,2|1,0,0]=3 4001 B15R2.38 CN1CCNCC1Cc2ccccc2 Amb33802272 [0,0,0,0,0,2|1,0,0]=3 4002 B15R2.38 CN1CCNC[C@@H]1Cc2ccccc2 Amb18190882 [0,0,0,0,0,2|1,0,0]=3 4003 B15R2.38 C[C@@H]1CCCC[C@@H]1Nc2ccccc2 Amb28246416 [0,0,0,0,0,2|2,0,0]=4 4004 B15R2.38 C[C@@H]1CNCCN1Cc2cccnc2 Amb28201448 [0,0,0,0,0,2|2,0,0]=4 4005 B15R2.38 C[C@H]1CCCC[C@@H]1Nc2ccccc2 Amb27790756 [0,0,0,0,0,2|2,0,0]=4 4006 B15R2.38 C[C@H]1CNCC[C@H]1Nc2ccccc2 Amb25259185 [0,0,0,0,0,2|2,0,0]=4 4007 B15R2.38 ClN1CCCCC1Cc2ccccc2 Amb13883415 [0,0,0,0,0,2|2,0,0]=4 4008 B15R2.38 NC1CCCCC1Cc2cccnc2 Amb17508946 [0,0,0,0,0,2|2,0,0]=4 4009 B15R2.38 O=C1CCNCC1Cc2cccnc2 Amb27813795 [0,0,0,0,0,2|2,0,0]=4 4010 B15R2.38 O=C1CCOCC1Cc2cccnc2 Amb27867266 [0,0,0,0,0,2|2,0,0]=4 4011 B15R2.38 O=C1NCCCC1Cc2cccnc2 Amb27248301 [0,0,0,0,0,2|2,0,0]=4 4012 B15R2.38 O[C@@H]1CCCC[C@H]1Oc2cccnc2 Amb27755713 [0,0,0,0,0,2|2,0,0]=4 4013 B15R2.54 BrC1CCCCCC1c2cccnc2 Amb28239288 [0,0,0,0,0,2|2,0,0]=4 4014 B15R2.54 CC1CCCCNC1c2ccccc2 Amb27398689 [0,0,0,0,0,2|2,0,0]=4 4015 B15R2.54 CC1COCCNC1c2ccccc2 Amb28461554 [0,0,0,0,0,2|2,0,0]=4 4016 B15R2.54 CN1CCNCCC1c2ccccc2 Amb18564795 [0,0,0,0,0,2|1,0,0]=3 4017 B15R2.54 CN1CCNCCC1c2ccccn2 Amb18565006 [0,0,0,0,0,2|2,0,0]=4 4018 B15R2.54 CN1CCNCCC1c2cccnc2 Amb18565010 [0,0,0,0,0,2|0,0,0]=2 4019 B15R2.54 CN1CCNCCC1c2ccncc2 Amb18565014 [0,0,0,0,0,2|2,0,0]=4 4020 B15R2.54 O=C1NCCCCC1c2cccnc2 Amb27603479 [0,0,0,0,0,2|2,0,0]=4 4021 B15R2.54 O=C1NCCCNC1c2cccnc2 Amb32719919 [0,0,0,0,0,2|2,0,0]=4 4022 B15R2.55 CC1CCCC1CNc2cccnn2 Amb27464951 [0,0,0,0,0,2|2,0,0]=4 4023 B15R2.55 CC1CCCC1CNc2cnccn2 Amb27623783 [0,0,0,0,0,2|2,0,0]=4 4024 B15R2.55 CC1CCCC1NCc2ccccc2 Amb25360353 [0,0,0,0,0,2|2,0,0]=4 4025 B15R2.55 CC1CCCC1NCc2cccnc2 Amb26872317 [0,0,0,0,0,2|1,0,0]=3 4026 B15R2.55 CC1CCCC1NCc2cccnn2 Amb27758494 [0,0,0,0,0,2|2,0,0]=4 4027 B15R2.55 CC1COCC1NCc2cccnc2 Amb35635935 [0,0,0,0,0,2|2,0,0]=4 4028 B15R2.55 CC1OCCC1NCc2cccnc2 Amb25360375 [0,0,0,0,0,2|2,0,0]=4 4029 B15R2.55 CN1CCCC1CNc2ccccc2 Amb27803839 [0,0,0,0,0,2|1,0,0]=3 4030 B15R2.55 CN1CCCC1CNc2ccncc2 Amb27471721 [0,0,0,0,0,2|2,0,0]=4 4031 B15R2.55 CN1CCCC1COc2ccccc2 Amb26551174 [0,0,0,0,0,2|1,0,0]=3 4032 B15R2.55 CN1CCCC1COc2ccccn2 Amb31193568 [0,0,0,0,0,2|2,0,0]=4 4033 B15R2.55 CN1CCCC1COc2cnccn2 Amb31193386 [0,0,0,0,0,2|1,0,0]=3 4034 B15R2.55 CN1CCC[C@H]1CNc2cccnc2 Amb27394623 [0,0,0,0,0,2|0,0,0]=2 4035 B15R2.55 C[C@H]1OCC[C@H]1NCc2cccnc2 Amb27945250 [0,0,0,0,0,2|2,0,0]=4 4036 B15R2.55 NN1CCCC1CCc2ccccc2 Amb26465158 [0,0,0,0,0,2|2,0,0]=4 4037 B15R2.55 NN1CCCC1COc2ccccc2 Amb25958038 [0,0,0,0,0,2|2,0,0]=4 4038 B15R2.55 OC1CCCC1NCc2cccnc2 Amb18289315 [0,0,0,0,0,2|2,0,0]=4 4039 B15R2.55 O[C@H]1CCC[C@@H]1NCc2cccnc2 Amb27191001 [0,0,0,0,0,2|2,0,0]=4