0 B18R3.12875 c1ccc2oc(CN3CCCCC3)cc2c1 Amb1157966 [0,0,0,0,0,0|3,1,0]=4 1 B18R3.12875 c1ccc2oc(CN3CCNCC3)cc2c1 Amb13952676 [0,0,0,0,0,0|3,1,0]=4 2 B18R3.12875 c1ccc2oc(CN3CCNCC3)nc2c1 Amb8841585 [0,0,0,0,0,0|2,1,0]=3 3 B18R3.12875 c1ccc2oc(SC3CCNCC3)nc2c1 Amb22395534 [0,0,0,0,0,0|2,1,0]=3 4 B18R3.12875 c1ccc2sc(CC3CCCNC3)nc2c1 Amb32648052 [0,0,0,0,0,0|4,0,0]=4 5 B18R3.12875 c1ccc2sc(CC3CCNCC3)cc2c1 Amb33313252 [0,0,0,0,0,0|4,0,0]=4 6 B18R3.12875 c1ccc2sc(CC3CCNCC3)nc2c1 Amb844565 [0,0,0,0,0,0|3,0,0]=3 7 B18R3.12875 c1ccc2sc(CN3CCNCC3)cc2c1 Amb3790085 [0,0,0,0,0,0|3,0,0]=3 8 B18R3.12875 c1ccc2sc(CN3CCNCC3)nc2c1 Amb43183 [0,0,0,0,0,0|2,0,0]=2 9 B18R3.12875 c1ccc2sc(CN3CCNCC3)nc2c1 Amb8202303 [0,0,0,0,0,0|2,0,0]=2 10 B18R3.12875 c1ccc2sc(NC3CCCCC3)nc2c1 Amb2372255 [0,0,0,0,0,0|3,0,0]=3 11 B18R3.12875 c1ccc2sc(NC3CCCNC3)nc2c1 Amb20616631 [0,0,0,0,0,0|4,0,0]=4 12 B18R3.12875 c1ccc2sc(NC3CCNCC3)nc2c1 Amb22272331 [0,0,0,0,0,0|3,0,0]=3 13 B18R3.12875 c1ccc2sc(NC3CCNCC3)nc2c1 Amb8858189 [0,0,0,0,0,0|3,0,0]=3 14 B18R3.12875 c1ccc2sc(OC3CCCNC3)nc2c1 Amb10598633 [0,0,0,0,0,0|3,1,0]=4 15 B18R3.12875 c1ccc2sc(OC3CCCNC3)nc2c1 Amb33450102 [0,0,0,0,0,0|3,1,0]=4 16 B18R3.12875 c1ccc2sc(OC3CCNCC3)cc2c1 Amb33312155 [0,0,0,0,0,0|3,1,0]=4 17 B18R3.12875 c1ccc2sc(OC3CCNCC3)nc2c1 Amb10598632 [0,0,0,0,0,0|2,1,0]=3 18 B18R3.12875 c1ccc2sc(OC3CCNCC3)nc2c1 Amb21936748 [0,0,0,0,0,0|2,1,0]=3 19 B18R3.12875 c1ccc2sc(OC3CCOCC3)nc2c1 Amb33616964 [0,0,0,0,0,0|1,1,0]=2 20 B18R3.12875 c1ccc2sc(SC3CCNCC3)nc2c1 Amb10808388 [0,0,0,0,0,0|2,0,0]=2 21 B18R3.12875 c1ccc2sc(SC3CCNCC3)nc2c1 Amb17066048 [0,0,0,0,0,0|2,0,0]=2 22 B18R3.12875 c1ccc2sc(SN3CCOCC3)nc2c1 Amb1148815 [0,0,0,0,0,0|0,0,0]=0 23 B18R3.12875 c1ccn2cc(CN3CCNCC3)nc2c1 Amb31197229 [0,0,0,0,0,0|4,0,0]=4 24 B18R3.12875 c1ccn2cc(CN3CCNCC3)nc2c1 Amb58367 [0,0,0,0,0,0|4,0,0]=4 25 B18R3.12875 c1cnc2nc(CN3CCNCC3)oc2c1 Amb18866932 [0,0,0,0,0,0|3,1,0]=4 26 B18R3.12875 c1cnc2oc(CN3CCNCC3)nc2c1 Amb18561029 [0,0,0,0,0,0|3,1,0]=4 27 B19R3.182 Clc1c(CN2CCNCC2)sc3ccccc13 Amb1106230 [0,1,0,0,0,0|3,0,0]=4 28 B19R3.182 Cn1c(CN2CCNCC2)nc3ccccc31 Amb29838215 [0,1,0,0,0,0|3,0,0]=4 29 B19R3.182 Cn1c(CN2CCNCC2)nc3ccccc31 Amb7968738 [0,1,0,0,0,0|3,0,0]=4 30 B19R3.8304 Brc1cccc2nc(CN3CCNCC3)oc12 Amb31165524 [0,1,0,0,0,0|2,1,0]=4 31 B19R3.8304 Brc1cccc2sc(CN3CCNCC3)nc12 Amb31165825 [0,1,0,0,0,0|2,0,0]=3 32 B19R3.8304 Cc1cccc2nc(CN3CCNCC3)oc12 Amb31124985 [0,1,0,0,0,0|2,1,0]=4 33 B19R3.8304 Cc1cccc2sc(NC3CCCCC3)nc12 Amb18940138 [0,1,0,0,0,0|3,0,0]=4 34 B19R3.8304 Cc1cccc2sc(OC3CCNCC3)nc12 Amb21936750 [0,1,0,0,0,0|2,1,0]=4 35 B19R3.8304 Clc1cccc2sc(NC3CCCCC3)nc12 Amb18274105 [0,1,0,0,0,0|3,0,0]=4 36 B19R3.8304 Clc1cccc2sc(NC3CCNCC3)nc12 Amb17515778 [0,1,0,0,0,0|3,0,0]=4 37 B19R3.8304 Clc1cccc2sc(OC3CCNCC3)nc12 Amb21936747 [0,1,0,0,0,0|2,1,0]=4 38 B19R3.8304 Clc1cccc2sc(OC3CCNCC3)nc12 Amb30982596 [0,1,0,0,0,0|2,1,0]=4 39 B19R3.8304 Fc1cccc2nc(CN3CCNCC3)oc12 Amb31125796 [0,1,0,0,0,0|2,1,0]=4 40 B19R3.8304 Fc1cccc2oc(CN3CCNCC3)nc12 Amb31125798 [0,1,0,0,0,0|2,1,0]=4 41 B19R3.8304 Fc1cccc2sc(NC3CCCCC3)nc12 Amb18274735 [0,1,0,0,0,0|3,0,0]=4 42 B19R3.8304 Fc1cccc2sc(OC3CCNCC3)nc12 Amb21936884 [0,1,0,0,0,0|2,1,0]=4 43 B19R3.8304 Nc1cccc2nc(CN3CCNCC3)oc12 Amb31125096 [0,1,0,0,0,0|2,1,0]=4 44 B19R3.88146 Brc1ccc2nc(CN3CCNCC3)oc2c1 Amb31165525 [0,1,0,0,0,0|2,1,0]=4 45 B19R3.88146 Brc1ccc2nc(CN3CCNCC3)sc2c1 Amb31165824 [0,1,0,0,0,0|2,0,0]=3 46 B19R3.88146 Brc1ccc2nc(CN3CCOCC3)cn2c1 Amb19440986 [0,1,0,0,0,0|3,0,0]=4 47 B19R3.88146 Brc1ccc2nc(NC3CCCCC3)sc2c1 Amb18274852 [0,1,0,0,0,0|3,0,0]=4 48 B19R3.88146 Brc1ccc2oc(CN3CCNCC3)nc2c1 Amb31094584 [0,1,0,0,0,0|2,1,0]=4 49 B19R3.88146 Cc1ccc2nc(NC3CCCCC3)sc2c1 Amb18940152 [0,1,0,0,0,0|3,0,0]=4 50 B19R3.88146 Cc1ccc2nc(NC3CCNCC3)sc2c1 Amb17515770 [0,1,0,0,0,0|3,0,0]=4 51 B19R3.88146 Cc1ccc2nc(SC3CCNCC3)oc2c1 Amb31127437 [0,1,0,0,0,0|2,1,0]=4 52 B19R3.88146 Cc1ccc2oc(CN3CCNCC3)nc2c1 Amb22264414 [0,1,0,0,0,0|2,1,0]=4 53 B19R3.88146 Cc1ccc2oc(SC3CCNCC3)nc2c1 Amb31127421 [0,1,0,0,0,0|2,1,0]=4 54 B19R3.88146 Clc1ccc2nc(NC3CCCCC3)sc2c1 Amb18274912 [0,1,0,0,0,0|3,0,0]=4 55 B19R3.88146 Clc1ccc2oc(CN3CCNCC3)nc2c1 Amb21859275 [0,1,0,0,0,0|2,1,0]=4 56 B19R3.88146 Clc1ccc2oc(SC3CCNCC3)nc2c1 Amb31127438 [0,1,0,0,0,0|2,1,0]=4 57 B19R3.88146 Fc1ccc2nc(CN3CCNCC3)oc2c1 Amb31125797 [0,1,0,0,0,0|2,1,0]=4 58 B19R3.88146 Fc1ccc2nc(NC3CCCCC3)sc2c1 Amb18274571 [0,1,0,0,0,0|3,0,0]=4 59 B19R3.88146 Fc1ccc2nc(NC3CCNCC3)sc2c1 Amb17515780 [0,1,0,0,0,0|3,0,0]=4 60 B19R3.88146 Nc1ccc2nc(CN3CCNCC3)oc2c1 Amb31125097 [0,1,0,0,0,0|2,1,0]=4 61 B19R3.88146 Nc1ccc2nc(CN3CCOCC3)cn2c1 Amb17220319 [0,1,0,0,0,0|3,0,0]=4 62 B19R3.88146 Nc1ccc2oc(CN3CCNCC3)nc2c1 Amb31125098 [0,1,0,0,0,0|2,1,0]=4 63 B19R3.241821 NC1CCC(Sc2nc3ccccc3s2)CC1 Amb22395672 [0,1,0,0,0,0|2,0,0]=3 64 B19R3.241821 O[C@H]1CC[C@H](Nc2nc3ccccc3s2)CC1 Amb23673505 [0,1,0,0,0,0|3,0,0]=4 65 B19R3.1799922 CC(c1nc2ccccc2s1)N3CCNCC3 Amb1105779 [0,1,0,0,0,0|2,0,0]=3 66 B19R3.1799922 CC(c1nc2ccccc2s1)N3CCNCC3 Amb42738 [0,1,0,0,0,0|2,0,0]=3 67 B19R3.1799922 O=C(c1cc2ccccc2s1)N3CCNCC3 Amb27500612 [0,1,0,0,0,0|3,0,0]=4 68 B19R3.1799922 O=C(c1cc2ccccc2s1)N3CCNCC3 Amb33313464 [0,1,0,0,0,0|3,0,0]=4 69 B19R3.1799922 O=C(c1cc2ccccc2s1)N3CCOCC3 Amb2728702 [0,1,0,0,0,0|2,0,0]=3 70 B19R3.1799922 O=C(c1nc2ccccc2s1)N3CCCCC3 Amb1882583 [0,1,0,0,0,0|2,0,0]=3 71 B19R3.1799922 O=C(c1nc2ccccc2s1)N3CCNCC3 Amb8475938 [0,1,0,0,0,0|2,0,0]=3 72 B17R2.143 O=C(CN1CCOCC1)Nc2ccccc2 Amb1566596 [0,0,1,0,0,0|1,1,1]=4 73 B17R2.143 S=C(Nc1ccccc1)NN2CCOCC2 Amb6429434 [0,0,1,0,0,0|1,0,2]=4 74 B17R2.2569 CCCCCCNc1nc2ccccc2s1 Amb1103948 [0,0,1,0,0,0|3,0,0]=4 75 B17R2.2569 CCCNCCSc1nc2ccccc2s1 Amb20573245 [0,0,1,0,0,0|3,0,0]=4 76 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3s2 Amb24101237 [0,0,0,0,1,0|2,0,0]=3 77 B17R3.8685 c1ccc2sc(CC3CCCC3)nc2c1 Amb24101238 [0,0,0,0,1,0|2,0,0]=3 78 B17R3.8685 c1ccc2sc(CC3CCCN3)nc2c1 Amb33172417 [0,0,0,0,1,0|3,0,0]=4 79 B17R3.8685 c1ccc2sc(CC3CCNC3)nc2c1 Amb32700423 [0,0,0,0,1,0|3,0,0]=4 80 B17R3.8685 c1ccc2sc(NC3CCNC3)nc2c1 Amb17515674 [0,0,0,0,1,0|3,0,0]=4 81 B17R3.8685 c1ccc2sc(OC3CCNC3)nc2c1 Amb22642460 [0,0,0,0,1,0|2,1,0]=4 82 B17R3.8685 c1ccc2sc(OC3CCOC3)nc2c1 Amb33618564 [0,0,0,0,1,0|1,1,0]=3 83 B17R3.8685 c1ccc2sc(SC3CCNC3)nc2c1 Amb22376702 [0,0,0,0,1,0|2,0,0]=3 84 B17R3.8708 C1=C(c2nc3ccccc3s2)CCCC1 Amb24069952 [0,0,0,0,1,0|2,0,1]=4 85 B17R3.8708 c1cc2nc(N3CCOCC3)sc2cn1 Amb32659524 [0,0,0,0,1,0|1,0,0]=2 86 B17R3.8708 c1ccc2c(c1)CC(N3CCOCC3)C2 Amb11012668 [0,0,0,0,1,0|2,0,1]=4 87 B17R3.8708 c1ccc2oc(C3CCCCC3)nc2c1 Amb3355018 [0,0,0,0,1,0|2,1,0]=4 88 B17R3.8708 c1ccc2oc(C3CCNCC3)nc2c1 Amb1152665 [0,0,0,0,1,0|2,1,0]=4 89 B17R3.8708 c1ccc2oc(C3CCNCC3)nc2c1 Amb22491328 [0,0,0,0,1,0|2,1,0]=4 90 B17R3.8708 c1ccc2oc(N3CCCCC3)nc2c1 Amb2643934 [0,0,0,0,1,0|1,1,0]=3 91 B17R3.8708 c1ccc2oc(N3CCNCC3)nc2c1 Amb1068320 [0,0,0,0,1,0|1,1,0]=3 92 B17R3.8708 c1ccc2oc(N3CCNCC3)nc2c1 Amb22274021 [0,0,0,0,1,0|1,1,0]=3 93 B17R3.8708 c1ccc2sc(C3CCCCC3)nc2c1 Amb4063073 [0,0,0,0,1,0|2,0,0]=3 94 B17R3.8708 c1ccc2sc(C3CCCCN3)nc2c1 Amb9703542 [0,0,0,0,1,0|3,0,0]=4 95 B17R3.8708 c1ccc2sc(C3CCCNC3)nc2c1 Amb1106972 [0,0,0,0,1,0|3,0,0]=4 96 B17R3.8708 c1ccc2sc(C3CCCNC3)nc2c1 Amb6891760 [0,0,0,0,1,0|3,0,0]=4 97 B17R3.8708 c1ccc2sc(C3CCNCC3)cc2c1 Amb18169715 [0,0,0,0,1,0|3,0,0]=4 98 B17R3.8708 c1ccc2sc(C3CCNCC3)nc2c1 Amb1106971 [0,0,0,0,1,0|2,0,0]=3 99 B17R3.8708 c1ccc2sc(C3OCOCO3)nc2c1 Amb24069895 [0,0,0,0,1,0|3,0,0]=4 100 B17R3.8708 c1ccc2sc(N3CCCCC3)nc2c1 Amb932147 [0,0,0,0,1,0|1,0,0]=2 101 B17R3.8708 c1ccc2sc(N3CCNCC3)nc2c1 Amb1287460 [0,0,0,0,1,0|1,0,0]=2 102 B17R3.8708 c1ccc2sc(N3CCNCC3)nc2c1 Amb13951964 [0,0,0,0,1,0|1,0,0]=2 103 B17R3.8708 c1ccc2sc(N3CCNCC3)nc2c1 Amb7969516 [0,0,0,0,1,0|1,0,0]=2 104 B17R3.8708 c1ccc2sc(N3CCOCC3)nc2c1 Amb1145733 [0,0,0,0,1,0|0,0,0]=1 105 B17R3.8708 c1cnc2nc(N3CCNCC3)oc2c1 Amb1102619 [0,0,0,0,1,0|2,1,0]=4 106 B17R3.8708 c1cnc2nc(N3CCOCC3)oc2c1 Amb20407243 [0,0,0,0,1,0|1,1,0]=3 107 B17R3.8708 c1cnc2oc(N3CCNCC3)nc2c1 Amb8428081 [0,0,0,0,1,0|2,1,0]=4 108 B17R3.8708 c1cnc2sc(N3CCNCC3)nc2c1 Amb10074930 [0,0,0,0,1,0|2,0,0]=3 109 B17R3.8708 c1cnc2sc(N3CCNCC3)nc2c1 Amb19353848 [0,0,0,0,1,0|2,0,0]=3 110 B19R3.19215 c1ccc2nc(CN3CCNCC3)ccc2c1 Amb3789815 [0,0,0,0,0,1|3,0,0]=4 111 B19R3.19215 c1ccc2nc(CN3CCNCC3)cnc2c1 Amb3789851 [0,0,0,0,0,1|3,0,0]=4 112 B19R3.19215 c1ccc2nc(CN3CCNCC3)nnc2c1 Amb18868350 [0,0,0,0,0,1|3,0,0]=4 113 B19R3.19215 c1ccc2nc(SC3CCNCC3)ccc2c1 Amb22536307 [0,0,0,0,0,1|3,0,0]=4 114 B19R3.19215 c1ccc2nc(SC3CCNCC3)cnc2c1 Amb31127433 [0,0,0,0,0,1|3,0,0]=4 115 B19R3.19215 c1ccc2ncc(CN3CCNCC3)cc2c1 Amb18915342 [0,0,0,0,0,1|3,0,0]=4 116 B19R3.19255 c1ccc2oc(CCN3CCNCC3)nc2c1 Amb18869205 [0,0,0,0,0,1|2,1,0]=4 117 B19R3.19255 c1ccc2oc(SCC3CCNCC3)nc2c1 Amb21984767 [0,0,0,0,0,1|2,1,0]=4 118 B19R3.19255 c1ccc2sc(NCC3CCNCC3)nc2c1 Amb10598637 [0,0,0,0,0,1|3,0,0]=4 119 B19R3.19255 c1ccc2sc(OCC3CCNCC3)nc2c1 Amb22272165 [0,0,0,0,0,1|2,1,0]=4 120 B19R3.19255 c1ccc2sc(OCC3CCNCC3)nc2c1 Amb28470387 [0,0,0,0,0,1|2,1,0]=4 121 B19R3.19255 c1ccc2sc(SCC3CCCCN3)nc2c1 Amb22395627 [0,0,0,0,0,1|3,0,0]=4 122 B19R3.19255 c1ccc2sc(SCC3CCCNC3)nc2c1 Amb21984754 [0,0,0,0,0,1|3,0,0]=4 123 B19R3.19255 c1ccc2sc(SCC3CCCNC3)nc2c1 Amb22395606 [0,0,0,0,0,1|3,0,0]=4 124 B19R3.19255 c1ccc2sc(SCC3CCNCC3)nc2c1 Amb21984766 [0,0,0,0,0,1|2,0,0]=3 125 B19R3.19255 c1ccc2sc(SCC3CCNCC3)nc2c1 Amb22395590 [0,0,0,0,0,1|2,0,0]=3 126 B19R3.19255 c1ccc2sc(SNC3CCCCC3)nc2c1 Amb3989348 [0,0,0,0,0,1|2,0,0]=3 127 B19R3.19255 c1ccc2sc(SSN3CCOCC3)nc2c1 Amb22733252 [0,0,0,0,0,1|0,0,0]=1 128 B19R3.1671973 c1ccc2oc(CN3CCCNCC3)nc2c1 Amb8852640 [0,0,0,0,0,1|2,1,0]=4 129 B16R2.2256 C(=C\c1ccccc1)/CN2CCOCC2 Amb24122652 [1,0,1,0,0,0|2,0,0]=4 130 B16R2.734 CCCC(C)Oc1nc2ccccc2s1 Amb3999684 [1,0,1,0,0,0|1,1,0]=4 131 B16R2.2875 CCCCC#Cc1nc2ccccc2s1 Amb24069986 [1,0,1,0,0,0|2,0,0]=4 132 B16R2.2875 CCCCOCc1nc2ccccc2s1 Amb24101203 [1,0,1,0,0,0|2,0,0]=4 133 B16R2.2875 CCNCCSc1nc2ccccc2o1 Amb20414273 [1,0,1,0,0,0|1,1,0]=4 134 B16R2.2875 CCNCCSc1nc2ccccc2s1 Amb20414283 [1,0,1,0,0,0|1,0,0]=3 135 B16R2.2875 CCOCCOc1nc2ccccc2s1 Amb4007769 [1,0,1,0,0,0|0,1,0]=3 136 B16R2.2875 COCCCNc1nc2ccccc2s1 Amb2372018 [1,0,1,0,0,0|2,0,0]=4 137 B16R2.2875 COCCNCc1cc2ccccc2s1 Amb2693223 [1,0,1,0,0,0|2,0,0]=4 138 B18R3.32726 Brc1ccc2nc(NC3CCCC3)sc2c1 Amb18940059 [0,1,0,0,1,0|2,0,0]=4 139 B18R3.32726 Cc1ccc2nc(NC3CCCC3)sc2c1 Amb18940151 [0,1,0,0,1,0|2,0,0]=4 140 B18R3.32726 Clc1ccc2nc(NC3CCCC3)sc2c1 Amb18940128 [0,1,0,0,1,0|2,0,0]=4 141 B18R3.32726 Fc1ccc2nc(NC3CCCC3)sc2c1 Amb18274570 [0,1,0,0,1,0|2,0,0]=4 142 B18R3.32726 Nc1ccc2oc(CN3CCCC3)nc2c1 Amb28556685 [0,1,0,0,1,0|1,1,0]=4 143 B18R3.88205 Cc1cccc2sc(NC3CCCC3)nc12 Amb18940137 [0,1,0,0,1,0|2,0,0]=4 144 B18R3.88205 Clc1cccc2sc(NC3CCCC3)nc12 Amb18274104 [0,1,0,0,1,0|2,0,0]=4 145 B18R3.88205 Fc1cccc2sc(NC3CCCC3)nc12 Amb18274734 [0,1,0,0,1,0|2,0,0]=4 146 B18R3.534891 NC1(Cc2nc3ccccc3s2)CCCC1 Amb13952743 [0,1,0,0,1,0|2,0,0]=4 147 B18R3.111 Cn1c(N2CCNCC2)nc3ccccc31 Amb10601155 [0,1,0,0,1,0|2,0,0]=4 148 B18R3.111 Cn1c(N2CCNCC2)nc3ccccc31 Amb28991018 [0,1,0,0,1,0|2,0,0]=4 149 B18R3.111 Cn1c(N2CCNCC2)nc3ccccc31 Amb534680 [0,1,0,0,1,0|2,0,0]=4 150 B18R3.111 Cn1c(N2CCOCC2)nc3ccccc31 Amb28511320 [0,1,0,0,1,0|1,0,0]=3 151 B18R3.5893 Brc1cccc2sc(C3CCNCC3)nc12 Amb31165573 [0,1,0,0,1,0|2,0,0]=4 152 B18R3.5893 Brc1cccc2sc(N3CCNCC3)nc12 Amb31165597 [0,1,0,0,1,0|1,0,0]=3 153 B18R3.5893 Brc1cccc2sc(N3CCOCC3)nc12 Amb1311364 [0,1,0,0,1,0|0,0,0]=2 154 B18R3.5893 Cc1cccc2nc(N3CCNCC3)oc12 Amb17571540 [0,1,0,0,1,0|1,1,0]=4 155 B18R3.5893 Clc1cccc2nc(N3CCNCC3)oc12 Amb1102745 [0,1,0,0,1,0|1,1,0]=4 156 B18R3.5893 Clc1cccc2sc(N3CCNCC3)nc12 Amb7173036 [0,1,0,0,1,0|1,0,0]=3 157 B18R3.5893 Clc1ncnc2nc(N3CCOCC3)sc12 Amb33133131 [0,1,0,0,1,0|2,0,0]=4 158 B18R3.5893 Fc1cccc2nc(N3CCNCC3)oc12 Amb17571926 [0,1,0,0,1,0|1,1,0]=4 159 B18R3.5893 Fc1cccc2oc(N3CCNCC3)nc12 Amb33346874 [0,1,0,0,1,0|1,1,0]=4 160 B18R3.5893 Fc1cccc2sc(N3CCNCC3)nc12 Amb7173037 [0,1,0,0,1,0|1,0,0]=3 161 B18R3.5893 Fc1cccc2sc(N3CCOCC3)nc12 Amb1311362 [0,1,0,0,1,0|0,0,0]=2 162 B18R3.5893 Nc1cccc2nc(C3CCCCC3)sc12 Amb17572413 [0,1,0,0,1,0|2,0,0]=4 163 B18R3.5893 O=C1NC=Nc2nc(N3CCOCC3)sc21 Amb33526500 [0,1,0,0,1,0|2,0,0]=4 164 B18R3.5893 S=C1NC=Nc2nc(N3CCOCC3)sc21 Amb19747347 [0,1,0,0,1,0|2,0,0]=4 165 B18R3.5893 Sc1ncnc2nc(N3CCOCC3)sc12 Amb19823718 [0,1,0,0,1,0|2,0,0]=4 166 B18R3.30705 CN1CCN(c2nc3ccccc3s2)CC1 Amb1303632 [0,1,0,0,1,0|1,0,0]=3 167 B18R3.30705 CN1CCN(c2nc3cnccc3s2)CC1 Amb31199702 [0,1,0,0,1,0|2,0,0]=4 168 B18R3.30705 NC1CCN(c2nc3ccccc3o2)CC1 Amb8428040 [0,1,0,0,1,0|1,1,0]=4 169 B18R3.30705 NC1CCN(c2nc3ccccc3o2)CC1 Amb8492764 [0,1,0,0,1,0|1,1,0]=4 170 B18R3.30705 NC1CCN(c2nc3ccccc3s2)CC1 Amb10598639 [0,1,0,0,1,0|1,0,0]=3 171 B18R3.30705 NC1CCN(c2nc3ccccc3s2)CC1 Amb10610504 [0,1,0,0,1,0|1,0,0]=3 172 B18R3.30705 NC1CCN(c2nc3ccccc3s2)CC1 Amb9419455 [0,1,0,0,1,0|1,0,0]=3 173 B18R3.30705 NC1CCN(c2nc3cccnc3s2)CC1 Amb23597224 [0,1,0,0,1,0|2,0,0]=4 174 B18R3.30705 O=C1CCN(c2nc3ccccc3o2)CC1 Amb8428049 [0,1,0,0,1,0|1,1,0]=4 175 B18R3.30705 OC1CCN(c2nc3ccccc3o2)CC1 Amb6202050 [0,1,0,0,1,0|1,1,0]=4 176 B18R3.30705 OC1CCN(c2nc3ccccc3s2)CC1 Amb6580942 [0,1,0,0,1,0|1,0,0]=3 177 B18R3.31677 CC1CN(c2nc3ccccc3o2)CCN1 Amb22288841 [0,1,0,0,1,0|1,1,0]=4 178 B18R3.31677 NC1CCCN(c2nc3ccccc3o2)C1 Amb22642486 [0,1,0,0,1,0|1,1,0]=4 179 B18R3.31677 NC1CCCN(c2nc3ccccc3s2)C1 Amb22294619 [0,1,0,0,1,0|1,0,0]=3 180 B18R3.31677 OC1CCCN(c2nc3ccccc3o2)C1 Amb6201559 [0,1,0,0,1,0|1,1,0]=4 181 B18R3.31677 OC1CCCN(c2nc3ccccc3s2)C1 Amb10598635 [0,1,0,0,1,0|1,0,0]=3 182 B18R3.32722 Brc1ccc2nc(C3CCNCC3)sc2c1 Amb17107999 [0,1,0,0,1,0|2,0,0]=4 183 B18R3.32722 Brc1ccc2nc(N3CCNCC3)sc2c1 Amb7173035 [0,1,0,0,1,0|1,0,0]=3 184 B18R3.32722 Brc1ccc2nc(N3CCOCC3)sc2c1 Amb1311367 [0,1,0,0,1,0|0,0,0]=2 185 B18R3.32722 Brc1ccc2oc(N3CCNCC3)nc2c1 Amb17130860 [0,1,0,0,1,0|1,1,0]=4 186 B18R3.32722 Cc1ccc2nc(C3CCNCC3)sc2c1 Amb17074711 [0,1,0,0,1,0|2,0,0]=4 187 B18R3.32722 Cc1ccc2nc(N3CCNCC3)oc2c1 Amb17130854 [0,1,0,0,1,0|1,1,0]=4 188 B18R3.32722 Cc1ccc2nc(N3CCNCC3)sc2c1 Amb9174923 [0,1,0,0,1,0|1,0,0]=3 189 B18R3.32722 Cc1ccc2oc(N3CCNCC3)nc2c1 Amb17130853 [0,1,0,0,1,0|1,1,0]=4 190 B18R3.32722 Cc1ccc2sc(C3CCNCC3)nc2c1 Amb8936055 [0,1,0,0,1,0|2,0,0]=4 191 B18R3.32722 Clc1ccc2nc(C3CCNCC3)sc2c1 Amb17074712 [0,1,0,0,1,0|2,0,0]=4 192 B18R3.32722 Clc1ccc2nc(N3CCNCC3)oc2c1 Amb8428033 [0,1,0,0,1,0|1,1,0]=4 193 B18R3.32722 Clc1ccc2nc(N3CCNCC3)sc2c1 Amb17597807 [0,1,0,0,1,0|1,0,0]=3 194 B18R3.32722 Clc1ccc2nc(N3CCNCC3)sc2c1 Amb2773215 [0,1,0,0,1,0|1,0,0]=3 195 B18R3.32722 Clc1ccc2oc(N3CCCCC3)nc2c1 Amb24081449 [0,1,0,0,1,0|1,1,0]=4 196 B18R3.32722 Clc1ccc2oc(N3CCNCC3)nc2c1 Amb22280532 [0,1,0,0,1,0|1,1,0]=4 197 B18R3.32722 Clc1ccc2oc(N3CCNCC3)nc2c1 Amb8492770 [0,1,0,0,1,0|1,1,0]=4 198 B18R3.32722 Clc1ccc2sc(C3CCNCC3)nc2c1 Amb2371580 [0,1,0,0,1,0|2,0,0]=4 199 B18R3.32722 Clc1ccc2sc(C3CCNCC3)nc2c1 Amb75302 [0,1,0,0,1,0|2,0,0]=4 200 B18R3.32722 Clc1ccc2sc(N3CCNCC3)nc2c1 Amb32424886 [0,1,0,0,1,0|1,0,0]=3 201 B18R3.32722 Fc1ccc2nc(C3CCNCC3)sc2c1 Amb17107998 [0,1,0,0,1,0|2,0,0]=4 202 B18R3.32722 Fc1ccc2nc(N3CCNCC3)oc2c1 Amb33347169 [0,1,0,0,1,0|1,1,0]=4 203 B18R3.32722 Fc1ccc2nc(N3CCNCC3)sc2c1 Amb7173034 [0,1,0,0,1,0|1,0,0]=3 204 B18R3.32722 Fc1ccc2oc(N3CCNCC3)nc2c1 Amb17130859 [0,1,0,0,1,0|1,1,0]=4 205 B18R3.32722 Fc1ccc2sc(C3CCNCC3)nc2c1 Amb8936663 [0,1,0,0,1,0|2,0,0]=4 206 B18R3.32722 Nc1ccc2nc(C3CCCCC3)sc2c1 Amb6839856 [0,1,0,0,1,0|2,0,0]=4 207 B18R3.32722 Nc1ccc2nc(N3CCOCC3)oc2c1 Amb2371086 [0,1,0,0,1,0|0,1,0]=3 208 B18R3.32722 Nc1ccc2nc(N3CCOCC3)sc2c1 Amb1153849 [0,1,0,0,1,0|0,0,0]=2 209 B18R3.32722 Nc1ccc2sc(C3CCCCC3)nc2c1 Amb17572412 [0,1,0,0,1,0|2,0,0]=4 210 B18R3.32722 Oc1ccc2nc(N3CCCCC3)sc2c1 Amb22642026 [0,1,0,0,1,0|1,0,0]=3 211 B18R3.32722 Oc1ccc2nc(N3CCOCC3)sc2c1 Amb9175496 [0,1,0,0,1,0|0,0,0]=2 212 B18R3.47120 CC1CNCCN1c2nc3ccccc3o2 Amb24778163 [0,1,0,0,1,0|1,1,0]=4 213 B18R3.3737338 CC1(c2nc3ccccc3s2)CCNCC1 Amb32652698 [0,1,0,0,1,0|2,0,0]=4 214 B18R3.3737338 CC1(c2nc3ccccc3s2)CCNCC1 Amb33537517 [0,1,0,0,1,0|2,0,0]=4 215 B18R3.3737338 NC1(c2nc3ccccc3s2)CCCCC1 Amb33473846 [0,1,0,0,1,0|2,0,0]=4 216 B20R3.13449 Clc1nc(CN2CCOCC2)nc3ccccc13 Amb23440728 [0,1,0,0,0,1|2,0,0]=4 217 B20R3.13449 Nc1nc(CN2CCOCC2)nc3ccccc13 Amb67812 [0,1,0,0,0,1|2,0,0]=4 218 B20R3.13449 O=C1NC(CN2CCOCC2)=Nc3ccccc31 Amb18524585 [0,1,0,0,0,1|2,0,0]=4 219 B20R3.13449 S=C1NC(CN2CCOCC2)=Nc3ccccc31 Amb19400184 [0,1,0,0,0,1|2,0,0]=4 220 B20R3.13449 Sc1nc(CN2CCOCC2)nc3ccccc13 Amb2371621 [0,1,0,0,0,1|2,0,0]=4 221 B20R3.2606 CCn1c(CN2CCOCC2)nc3ccccc31 Amb1281939 [0,2,0,0,0,0|2,0,0]=4 222 B20R3.8734 O=C(c1sc2ccccc2c1Cl)N3CCOCC3 Amb6378516 [0,2,0,0,0,0|2,0,0]=4 223 B20R3.277680 Cn1c(CN2CCOCC2)nc3cc(N)ccc31 Amb19134389 [0,2,0,0,0,0|2,0,0]=4 224 B20R3.277680 Cn1c(CN2CCOCC2)nc3cc(N)ccc31 Amb21972181 [0,2,0,0,0,0|2,0,0]=4 225 B20R3.277680 Cn1c(CN2CCOCC2)nc3cc(N)ccc31 Amb8041932 [0,2,0,0,0,0|2,0,0]=4 226 B20R3.5147 CC1CN(Sc2nc3ccccc3s2)CC(C)O1 Amb24097639 [0,2,0,0,0,0|0,0,0]=2 227 B20R3.2846562 N=S(=O)(c1nc2ccccc2s1)N3CCOCC3 Amb33482809 [0,2,0,0,0,0|0,0,1]=3 228 B18R3.2123 c1ccc2nc(N3CCOCC3)ccc2c1 Amb4012000 [0,0,1,1,0,0|2,0,0]=4 229 B18R3.2123 c1ccc2ncc(N3CCOCC3)cc2c1 Amb18269595 [0,0,1,1,0,0|2,0,0]=4 230 B16R2.88 Cl\C(=N/c1ccccc1)N2CCOCC2 Amb1157300 [0,0,1,0,1,0|1,0,0]=3 231 B16R2.88 N=C(Nc1ccccc1)N2CCCCC2 Amb22059096 [0,0,1,0,1,0|2,0,0]=4 232 B16R2.88 N\C(=N/c1ccccc1)N2CCCCC2 Amb19352544 [0,0,1,0,1,0|2,0,0]=4 233 B16R2.88 O=C(CN1CCOCC1)c2ccccc2 Amb1020795 [0,0,1,0,1,0|1,1,0]=4 234 B16R2.88 O=C(Cc1ccccc1)N2CCOCC2 Amb6316976 [0,0,1,0,1,0|1,1,0]=4 235 B16R2.88 O=C(ON1CCOCC1)c2ccccc2 Amb8392000 [0,0,1,0,1,0|0,2,0]=4 236 B16R2.88 O=C(Oc1ccccc1)N2CCOCC2 Amb1815188 [0,0,1,0,1,0|1,1,0]=4 237 B16R2.88 S=C(Cc1ccccc1)N2CCOCC2 Amb1980903 [0,0,1,0,1,0|1,0,1]=4 238 B16R2.150 NC\C=C\c1cnc(N2CCOCC2)s1 Amb32879724 [0,0,1,0,1,0|1,0,1]=4 239 B16R2.150 O=C\C=C\c1cnc(N2CCOCC2)s1 Amb32879742 [0,0,1,0,1,0|1,0,0]=3 240 B16R2.150 OC\C=C\c1cnc(N2CCOCC2)s1 Amb32879730 [0,0,1,0,1,0|1,0,1]=4 241 B16R3.5925 c1ccc2oc(C3CCCC3)nc2c1 Amb17570412 [0,0,0,0,2,0|1,1,0]=4 242 B16R3.5925 c1ccc2oc(N3CCCC3)nc2c1 Amb8340543 [0,0,0,0,2,0|0,1,0]=3 243 B16R3.5925 c1ccc2sc(C3CCCN3)nc2c1 Amb2234654 [0,0,0,0,2,0|2,0,0]=4 244 B16R3.5925 c1ccc2sc(C3CCCN3)nc2c1 Amb5717393 [0,0,0,0,2,0|2,0,0]=4 245 B16R3.5925 c1ccc2sc(C3CCNC3)nc2c1 Amb25080854 [0,0,0,0,2,0|2,0,0]=4 246 B16R3.5925 c1ccc2sc(N3CCCC3)cc2c1 Amb27218215 [0,0,0,0,2,0|1,0,0]=3 247 B16R3.5925 c1ccc2sc(N3CCCC3)nc2c1 Amb20720329 [0,0,0,0,2,0|0,0,0]=2 248 B16R3.5925 c1ccc2sc(N3CCCN3)nc2c1 Amb27787121 [0,0,0,0,2,0|1,0,0]=3 249 B16R3.5925 c1ccc2sc([C@@H]3CCCN3)nc2c1 Amb26351310 [0,0,0,0,2,0|2,0,0]=4 250 B16R3.5925 c1ccc2sc([C@H]3CCCN3)nc2c1 Amb23464005 [0,0,0,0,2,0|2,0,0]=4 251 B16R3.63995 c1ccc2sc(OC3COC3)nc2c1 Amb33612836 [0,0,0,0,2,0|1,1,0]=4 252 B16R3.63995 c1ccc2sc(SC3CNC3)nc2c1 Amb22395518 [0,0,0,0,2,0|2,0,0]=4 253 B18R2.2429 N=C(NCc1ccccc1)NN2CCOCC2 Amb27767676 [0,0,1,0,0,1|2,0,0]=4 254 B20R3.30260 c1ccc2sc(NCCN3CCOCC3)nc2c1 Amb1110103 [0,0,0,0,0,2|1,0,0]=3 255 B20R3.30260 c1ccc2sc(SCCC3CCNCC3)nc2c1 Amb22395698 [0,0,0,0,0,2|2,0,0]=4 256 B20R3.30260 c1ccc2sc(SCCC3CCNCC3)nc2c1 Amb32662514 [0,0,0,0,0,2|2,0,0]=4