0 B18R3.36580 c1ccc2cc(CC3CCCN3)ccc2c1 Amb13951756 [0,0,0,0,0,0|1,0,1]=2 1 B18R3.36580 c1ccc2cc(CC3CCCN3)ccc2c1 Amb6660663 [0,0,0,0,0,0|1,0,1]=2 2 B18R3.36580 c1ccc2cc(CC3CCNC3)ccc2c1 Amb33358550 [0,0,0,0,0,0|3,0,1]=4 3 B18R3.36580 c1ccc2cc(CC3OCCO3)ccc2c1 Amb6306196 [0,0,0,0,0,0|2,0,1]=3 4 B18R3.36580 c1ccc2cc(Nc3nccs3)ccc2c1 Amb18268148 [0,0,0,0,0,0|2,0,2]=4 5 B18R3.36580 c1ccc2nc(CC3CCCN3)ccc2c1 Amb33449329 [0,0,0,0,0,0|2,0,1]=3 6 B18R3.36580 c1ccc2nc(CC3CCCN3)cnc2c1 Amb33448983 [0,0,0,0,0,0|3,0,1]=4 7 B18R3.36580 c1ccc2ncc(CC3CCCN3)cc2c1 Amb33325131 [0,0,0,0,0,0|2,0,1]=3 8 B18R3.36580 c1cnc2cc(CC3CCCN3)ccc2c1 Amb32879522 [0,0,0,0,0,0|2,0,1]=3 9 B18R3.36580 c1cnc2cc(CC3CCCN3)ccc2n1 Amb18562919 [0,0,0,0,0,0|3,0,1]=4 10 B18R3.36580 c1cnc2cc(NC3=NCCN3)ccc2n1 Amb32662789 [0,0,0,0,0,0|3,0,0]=3 11 B18R3.36580 c1cnc2ccc(CC3CCCN3)cc2c1 Amb33172413 [0,0,0,0,0,0|2,0,1]=3 12 B19R3.292 Clc1nc2ccccc2cc1CC3CCCN3 Amb33058613 [0,1,0,0,0,0|2,0,1]=4 13 B19R3.50998 CC1CN=C(Nc2cnc3ccccc3c2)S1 Amb19373223 [0,1,0,0,0,0|3,0,0]=4 14 B19R3.50998 CC1CN\C(=N/c2cnc3ccccc3c2)S1 Amb33552657 [0,1,0,0,0,0|3,0,0]=4 15 B19R3.50998 Nc1nnc(Cc2ccc3ccccc3c2)o1 Amb6249004 [0,1,0,0,0,0|2,0,1]=4 16 B19R3.50998 O=C1CSC(Nc2ccc3ccccc3c2)=N1 Amb4125016 [0,1,0,0,0,0|2,0,1]=4 17 B19R3.55014 Cc1ccc2cc(CC3CCCN3)ccc2n1 Amb33201963 [0,1,0,0,0,0|2,0,1]=4 18 B19R3.324030 O=C(c1ccc2ccccc2c1)C3CCCN3 Amb18105786 [0,1,0,0,0,0|1,0,2]=4 19 B19R3.324030 OC(c1ccc2ccccc2c1)C3CCCN3 Amb18623690 [0,1,0,0,0,0|1,0,1]=3 20 B19R3.2183900 Brc1c(NC2=NCCN2)ccc3nccnc13 Amb17609896 [0,1,0,0,0,0|3,0,0]=4 21 B19R3.2183900 Brc1c(NC2=NCCN2)ccc3nccnc13 Amb829163 [0,1,0,0,0,0|3,0,0]=4 22 B19R3.2183900 Brc1c(NC2=NCCN2)ccc3nccnc13 Amb8390723 [0,1,0,0,0,0|3,0,0]=4 23 B19R3.2183900 Brc1c(NC2=NCCN2)ccc3nccnc13 Amb8629564 [0,1,0,0,0,0|3,0,0]=4 24 B17R2.2159 CCCC(=O)Oc1ccc2ccccc2c1 Amb2674590 [0,0,1,0,0,0|3,0,0]=4 25 B17R2.2159 CCCC(Br)Cc1ccc2ccccc2c1 Amb18548970 [0,0,1,0,0,0|2,0,1]=4 26 B17R2.2159 CCOC(=O)C[n+]1ccc2ccccc2c1 Amb2543556 [0,0,1,0,0,0|3,0,0]=4 27 B17R2.2159 CCOC(=O)Cc1ccc2ccccc2c1 Amb8439650 [0,0,1,0,0,0|2,0,0]=3 28 B17R2.2159 CCOC(=O)Cc1ccc2ccccc2n1 Amb19958008 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.2159 CCOC(=O)Cc1cnc2ccccc2c1 Amb22234027 [0,0,1,0,0,0|3,0,0]=4 30 B17R2.2159 NC(CCO)Cc1ccc2ccccc2c1 Amb32946594 [0,0,1,0,0,0|2,0,1]=4 31 B17R2.5879 C=CCNOCc1ccc2ccccc2c1 Amb32412835 [0,0,1,0,0,0|2,0,1]=4 32 B19R4.2097 c1ccc2c(c1)ccc3sc4nncn4c32 Amb22472460 [0,0,0,1,0,0|2,0,1]=4 33 B17R3.1917 c1ccc2cc(-c3cscn3)ccc2c1 Amb2234884 [0,0,0,0,1,0|2,0,1]=4 34 B17R3.1917 c1ccc2cc(C3CCCN3)ccc2c1 Amb17659177 [0,0,0,0,1,0|1,0,1]=3 35 B17R3.1917 c1ccc2cc(C3CCCN3)ccc2c1 Amb2694006 [0,0,0,0,1,0|1,0,1]=3 36 B17R3.1917 c1ccc2nc(C3=NCCN3)ccc2c1 Amb22352212 [0,0,0,0,1,0|1,0,0]=2 37 B17R3.1917 c1ccc2nc(C3=NCCN3)cnc2c1 Amb20668933 [0,0,0,0,1,0|2,0,0]=3 38 B17R3.1917 c1ccc2nc(C3=NCCO3)ccc2c1 Amb9795554 [0,0,0,0,1,0|2,0,0]=3 39 B17R3.1917 c1ccc2nc(C3CCCN3)ccc2c1 Amb33449979 [0,0,0,0,1,0|2,0,1]=4 40 B17R3.1917 c1ccc2ncc(C3=NCCC3)cc2c1 Amb10605590 [0,0,0,0,1,0|2,0,0]=3 41 B17R3.1917 c1ccc2ncc(C3CCCN3)cc2c1 Amb10606891 [0,0,0,0,1,0|2,0,1]=4 42 B17R3.1917 c1ccc2ncc(C3CCCN3)cc2c1 Amb3788667 [0,0,0,0,1,0|2,0,1]=4 43 B17R3.1917 c1cnc2cc(C3CCCN3)ccc2c1 Amb32954618 [0,0,0,0,1,0|2,0,1]=4 44 B17R3.1917 c1cnc2ccc(C3=NCCC3)cc2c1 Amb10606645 [0,0,0,0,1,0|2,0,0]=3 45 B17R3.1917 c1cnc2ccc(C3CCCN3)cc2c1 Amb10606849 [0,0,0,0,1,0|2,0,1]=4 46 B17R3.1917 c1cnc2ccc(C3CCCN3)cc2c1 Amb10606850 [0,0,0,0,1,0|2,0,1]=4 47 B17R3.2681 c1ccc2c(CC3CCCN3)csc2c1 Amb33475364 [0,0,0,0,1,0|2,0,1]=4 48 B17R3.8685 c1ccc2oc(CC3CCCN3)cc2c1 Amb18559440 [0,0,0,0,1,0|2,0,1]=4 49 B17R3.8685 c1ccc2oc(CC3CCCN3)cc2c1 Amb35789100 [0,0,0,0,1,0|2,0,1]=4 50 B17R3.8685 c1ccc2sc(CC3CCCN3)cc2c1 Amb33314052 [0,0,0,0,1,0|2,0,1]=4 51 B17R3.8685 c1ccc2sc(NC3=NCCN3)nc2c1 Amb2388462 [0,0,0,0,1,0|3,0,0]=4 52 B17R3.21035 c1cc2c(cc1CC3=NCCN3)OCO2 Amb18566900 [0,0,0,0,1,0|2,0,1]=4 53 B17R3.21035 c1cc2cc(CC3CCCN3)ccc2o1 Amb18676615 [0,0,0,0,1,0|2,0,1]=4 54 B17R3.21035 c1cc2cc(CC3CCCN3)ccc2s1 Amb18676594 [0,0,0,0,1,0|2,0,1]=4 55 B17R3.21035 c1nc2cc(NC3=NCCN3)ccc2s1 Amb24089295 [0,0,0,0,1,0|3,0,0]=4 56 B17R3.21035 c1nc2ccc(NC3=NCCN3)cc2s1 Amb24072256 [0,0,0,0,1,0|3,0,0]=4 57 B17R3.123564 c1ccc2cc(CC3CNC3)ccc2c1 Amb1123783 [0,0,0,0,1,0|2,0,1]=4 58 B19R3.19215 C(=C1CCNCC1)c2ccc3ccccc3c2 Amb31094240 [0,0,0,0,0,1|2,0,1]=4 59 B19R3.19215 c1ccc2cc(CC3CCCCN3)ccc2c1 Amb31094248 [0,0,0,0,0,1|1,0,1]=3 60 B19R3.19215 c1ccc2cc(CC3CCCNC3)ccc2c1 Amb31094245 [0,0,0,0,0,1|1,0,1]=3 61 B19R3.19215 c1ccc2cc(CC3CCNCC3)ccc2c1 Amb31094243 [0,0,0,0,0,1|2,0,1]=4 62 B19R3.19215 c1ccc2cc(CC3CCNCC3)ccc2c1 Amb33802236 [0,0,0,0,0,1|2,0,1]=4 63 B19R3.19215 c1ccc2cc(CC3COCCN3)ccc2c1 Amb33802130 [0,0,0,0,0,1|1,0,1]=3 64 B19R3.19215 c1ccc2cc(CN3CCNCC3)ccc2c1 Amb576920 [0,0,0,0,0,1|3,0,0]=4 65 B19R3.19215 c1ccc2cc(OC3CCCNC3)ccc2c1 Amb21954950 [0,0,0,0,0,1|2,0,1]=4 66 B19R3.19215 c1ccc2nc(CC3CCCNC3)ccc2c1 Amb33172045 [0,0,0,0,0,1|2,0,1]=4 67 B19R3.19215 c1ccc2ncc(CC3CCCNC3)cc2c1 Amb20069411 [0,0,0,0,0,1|2,0,1]=4 68 B19R3.19215 c1cnc2cc(CC3CCCNC3)ccc2c1 Amb32879194 [0,0,0,0,0,1|2,0,1]=4 69 B19R3.19215 c1cnc2ccc(CC3CCCNC3)cc2c1 Amb20202972 [0,0,0,0,0,1|2,0,1]=4 70 B19R3.19215 c1cnc2ccc(CC3CNCCO3)cc2c1 Amb32424295 [0,0,0,0,0,1|2,0,1]=4 71 B19R3.62425 c1ccc2cc(NCC3CCCN3)ccc2c1 Amb2237201 [0,0,0,0,0,1|1,0,1]=3 72 B19R3.62425 c1ccc2cc(OCC3=NCCN3)ccc2c1 Amb17075393 [0,0,0,0,0,1|0,0,0]=1 73 B19R3.62425 c1ccc2cc(OCC3OCCO3)ccc2c1 Amb17248904 [0,0,0,0,0,1|2,0,1]=4 74 B19R3.62425 c1ccc2cc(OC[C@@H]3CCCN3)ccc2c1 Amb17051855 [0,0,0,0,0,1|1,0,1]=3 75 B19R3.62425 c1cnc2ccc(OCC3=NCCN3)cc2c1 Amb17075395 [0,0,0,0,0,1|1,0,0]=2 76 B19R3.62425 c1cnc2ccc(OC[C@@H]3CCCN3)cc2c1 Amb17248223 [0,0,0,0,0,1|2,0,1]=4 77 B16R2.2441 CCCNCc1ccc2ccccc2c1 Amb6665841 [1,0,1,0,0,0|1,0,0]=3 78 B16R2.2441 NCCCCc1ccc2ccccc2c1 Amb18049792 [1,0,1,0,0,0|0,0,1]=3 79 B16R2.2441 NCCCCc1ccc2ccccc2n1 Amb33380484 [1,0,1,0,0,0|1,0,1]=4 80 B16R2.2441 NCCCCc1ccc2cccnc2c1 Amb18353898 [1,0,1,0,0,0|1,0,1]=4 81 B16R2.2441 NCCCCc1ccc2ccncc2c1 Amb19105808 [1,0,1,0,0,0|1,0,1]=4 82 B16R2.2441 NCCCCc1ccc2cnccc2c1 Amb18353872 [1,0,1,0,0,0|1,0,1]=4 83 B16R2.2441 NCCCCc1ccc2ncccc2c1 Amb18353926 [1,0,1,0,0,0|1,0,1]=4 84 B16R2.2441 NCCCCc1cnc2ccccc2c1 Amb33474974 [1,0,1,0,0,0|1,0,1]=4 85 B16R2.2441 NCCCOc1ccc2ccccc2c1 Amb1135799 [1,0,1,0,0,0|1,0,1]=4 86 B16R2.2441 OCCCCc1ccc2ccccc2c1 Amb33716158 [1,0,1,0,0,0|1,0,1]=4 87 B16R2.2441 OCCNCc1ccc2ccccc2c1 Amb7757056 [1,0,1,0,0,0|1,0,0]=3 88 B16R2.2441 OCCNCc1cnc2ccccc2c1 Amb19649748 [1,0,1,0,0,0|2,0,0]=4 89 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 Amb9205990 [1,0,1,0,0,0|2,0,0]=4 90 B16R2.5347 CCC(Br)Cc1ccc2ccccc2c1 Amb18548932 [1,0,1,0,0,0|1,0,1]=4 91 B16R2.5347 COC(=O)Cc1ccc2ccccc2c1 Amb10177537 [1,0,1,0,0,0|2,0,0]=4 92 B16R2.5347 NC(CO)Cc1ccc2ccccc2c1 Amb24056375 [1,0,1,0,0,0|1,0,1]=4 93 B16R2.5347 NNC(=O)Cc1ccc2ccccc2c1 Amb2612381 [1,0,1,0,0,0|2,0,0]=4 94 B16R2.5347 O=C(CBr)Cc1ccc2ccccc2c1 Amb27227080 [1,0,1,0,0,0|2,0,0]=4 95 B16R2.5347 O=C(CCl)Cc1ccc2ccccc2c1 Amb20673439 [1,0,1,0,0,0|2,0,0]=4 96 B16R2.5347 O=C(Cc1ccc2ccccc2c1)NO Amb6256867 [1,0,1,0,0,0|2,0,0]=4 97 B18R2.2040 CCNC(=O)Cc1ccc2cccc(N)c2n1 Amb18938604 [0,1,1,0,0,0|2,0,0]=4 98 B18R2.14699 CCNC(C)C(O)c1ccc2ccccc2c1 Amb18093796 [0,1,1,0,0,0|1,0,1]=4 99 B18R2.14699 CCOC(=O)C(N)c1ccc2ccccc2c1 Amb3903899 [0,1,1,0,0,0|2,0,0]=4 100 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 Amb6506432 [0,1,1,0,0,0|2,0,0]=4 101 B18R2.33945 NCCNC(=O)Oc1ccc2ccccc2c1 Amb18572556 [0,1,1,0,0,0|2,0,0]=4 102 B18R2.71948 CC(C)NC(C)Cc1ccc2ccccc2c1 Amb18053969 [0,1,1,0,0,0|1,0,1]=4 103 B18R2.9737 CCCNCCOc1ccc2ccccc2c1 Amb7798610 [0,1,1,0,0,0|1,0,1]=4 104 B18R2.9737 OCCNCCOc1ccc2ccccc2c1 Amb17144367 [0,1,1,0,0,0|1,0,1]=4 105 B18R2.18716 CCC(NC)C(O)c1ccc2ccccc2c1 Amb18605284 [0,1,1,0,0,0|1,0,1]=4 106 B18R3.2942 CC1CNC(c2ccc3ccccc3c2)C1 Amb3789111 [0,1,0,0,1,0|1,0,1]=4 107 B18R3.2942 CC1CNC(c2cnc3ccccc3n2)=N1 Amb24100698 [0,1,0,0,1,0|2,0,0]=4 108 B18R3.2942 NC1NC(c2ccc3ccccc3c2)=CS1 Amb22171009 [0,1,0,0,1,0|2,0,0]=4 109 B18R3.2942 S=C1NN=C(c2ccc3ccccc3c2)N1 Amb19799436 [0,1,0,0,1,0|1,0,1]=4 110 B20R3.13439 O=C1NCCN=C1Cc2ccc3ccccc3n2 Amb2371503 [0,1,0,0,0,1|1,0,0]=3 111 B20R3.34875 OC(c1ccc2ccccc2c1)C3CCCCN3 Amb18623691 [0,1,0,0,0,1|1,0,1]=4 112 B20R3.34875 OC(c1ccc2ccccc2c1)C3CCCNC3 Amb18623692 [0,1,0,0,0,1|1,0,1]=4 113 B20R3.3240841 OC1(Cc2ccc3ccccc3c2)CCCNC1 Amb33361868 [0,1,0,0,0,1|1,0,1]=4 114 B20R3.129490 Nn1cnnc1SCc2ccc3ccccc3c2 Amb23494380 [0,1,0,0,0,1|1,0,1]=4 115 B20R3.42237 COc1ccc2cc(CC3CCCN3)ccc2c1 Amb33171933 [0,2,0,0,0,0|1,0,1]=4 116 B18R3.11 c1ccc2c(CC3=NCCN3)cccc2c1 Amb1147521 [0,0,1,1,0,0|0,0,0]=2 117 B18R3.11 c1ccc2c(CC3=NCCN3)cccc2c1 Amb2748004 [0,0,1,1,0,0|0,0,0]=2 118 B18R3.11 c1ccc2c(CC3=NCCN3)cccc2c1 Amb8627906 [0,0,1,1,0,0|0,0,0]=2 119 B18R3.11 c1ccc2c(CC3=NCC[NH2+]3)cccc2c1 Amb9804420 [0,0,1,1,0,0|0,0,1]=3 120 B18R3.11 c1ccc2c(CC3=[NH+]CCN3)cccc2c1 Amb4231978 [0,0,1,1,0,0|0,0,1]=3 121 B18R3.11 c1ccc2c(CC3CCCN3)cccc2c1 Amb33527655 [0,0,1,1,0,0|1,0,1]=4 122 B18R3.11 c1ccc2c(CC3CCCN3)cccc2c1 Amb9714221 [0,0,1,1,0,0|1,0,1]=4 123 B18R3.14214 CCNc1nc2c(ccc3ccccc32)s1 Amb18274807 [0,0,1,1,0,0|1,0,0]=3 124 B18R3.2123 c1ccc2cc(C3CCCCN3)ccc2c1 Amb17659207 [0,0,1,1,0,0|1,0,1]=4 125 B18R3.2123 c1ccc2cc(C3CCCNC3)ccc2c1 Amb32953722 [0,0,1,1,0,0|1,0,1]=4 126 B18R3.2123 c1ccc2cc(C3CNCCN3)ccc2c1 Amb10070202 [0,0,1,1,0,0|0,0,2]=4 127 B18R3.2123 c1ccc2cc(C3CNCCO3)ccc2c1 Amb33527748 [0,0,1,1,0,0|1,0,1]=4 128 B18R3.2123 c1ccc2cc(C3CNCCO3)ccc2c1 Amb9004254 [0,0,1,1,0,0|1,0,1]=4 129 B18R3.2123 c1ccc2cc(C3COCCN3)ccc2c1 Amb31094193 [0,0,1,1,0,0|1,0,1]=4 130 B18R3.309 O=CC1=C(c2ccccc2)N3CCN=C3S1 Amb17772614 [0,0,1,1,0,0|2,0,0]=4 131 B18R3.284603 CNC1(Cc2ccc3ccccc3c2)CC1 Amb33362141 [0,0,1,1,0,0|1,0,1]=4 132 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 Amb19067000 [0,0,1,0,1,0|2,0,0]=4 133 B16R2.767 CCOC(=N)c1ccc2ccccc2c1 Amb19056471 [0,0,1,0,1,0|1,0,0]=3 134 B16R2.767 CCOC(=N)c1cnc2ccccc2c1 Amb27975542 [0,0,1,0,1,0|2,0,0]=4 135 B16R2.767 CCOC(=O)c1ccc2ccccc2c1 Amb2687909 [0,0,1,0,1,0|2,0,0]=4 136 B16R2.767 CONC(=O)c1ccc2ccccc2c1 Amb8231963 [0,0,1,0,1,0|2,0,0]=4 137 B16R3.8 C1=Nc2ccccc2\C1=C3\CCCN3 Amb28457471 [0,0,0,0,2,0|2,0,0]=4 138 B16R3.8 c1ccc2c(c1)cnn2C3=NCCN3 Amb27265921 [0,0,0,0,2,0|2,0,0]=4 139 B16R3.8 c1ccc2c(c1)ncn2C3=NCCN3 Amb10558440 [0,0,0,0,2,0|2,0,0]=4 140 B16R3.1779 c1cc2nc(C3=NCCN3)ccc2s1 Amb28071096 [0,0,0,0,2,0|2,0,0]=4 141 B16R3.1779 c1cc2ncc(C3=NCCN3)cc2s1 Amb27411081 [0,0,0,0,2,0|2,0,0]=4 142 B16R3.5925 c1ccc2oc(C3=NCCN3)cc2c1 Amb22369981 [0,0,0,0,2,0|1,0,0]=3 143 B16R3.5925 c1ccc2sc(C3=NCCN3)cc2c1 Amb27401092 [0,0,0,0,2,0|1,0,0]=3 144 B16R3.275899 c1ccc2cc(C3CCN3)ccc2c1 Amb24657274 [0,0,0,0,2,0|0,0,1]=3 145 B16R3.275899 c1ccc2nc(C3CCN3)ccc2c1 Amb25324365 [0,0,0,0,2,0|1,0,1]=4 146 B16R3.275899 c1ccc2ncc(C3CCN3)cc2c1 Amb26977092 [0,0,0,0,2,0|1,0,1]=4 147 B16R3.275899 c1ccc2ncc([C@H]3CCN3)cc2c1 Amb27468653 [0,0,0,0,2,0|1,0,1]=4 148 B16R3.275899 c1cnc2cc(C3CCN3)ccc2c1 Amb25137104 [0,0,0,0,2,0|1,0,1]=4 149 B16R3.275899 c1cnc2cc([C@@H]3CCN3)ccc2c1 Amb27593429 [0,0,0,0,2,0|1,0,1]=4 150 B16R3.275899 c1cnc2ccc(C3CCN3)cc2c1 Amb27957041 [0,0,0,0,2,0|1,0,1]=4 151 B16R3.63903 c1ccc2cc(CC3CO3)ccc2c1 Amb33550622 [0,0,0,0,2,0|1,0,1]=4 152 B20R3.30190 c1ccc2cc(OCC3CCCNC3)ccc2c1 Amb6666547 [0,0,0,0,0,2|1,0,1]=4 153 B20R3.30190 c1ccc2cc(OCC3CNCCO3)ccc2c1 Amb5733316 [0,0,0,0,0,2|1,0,1]=4 154 B20R3.30190 c1ccc2cc(OCC3COCCN3)ccc2c1 Amb18578237 [0,0,0,0,0,2|1,0,1]=4 155 B20R3.30190 c1ccc2cc(OCC3CSCCN3)ccc2c1 Amb18588072 [0,0,0,0,0,2|1,0,1]=4 156 B20R3.1869517 c1ccc2cc(CN3CCCNCC3)ccc2c1 Amb20675087 [0,0,0,0,0,2|2,0,0]=4 157 B20R3.105088 c1ccc2cc(OCCC3=NCCN3)ccc2c1 Amb18577429 [0,0,0,0,0,2|0,0,0]=2 158 B20R3.105088 c1ccc2cc(OCCC3CCCN3)ccc2c1 Amb17410429 [0,0,0,0,0,2|1,0,1]=4