0 B17R3.1910 c1cc2c(c(CC3CCCN3)c1)CCC2 Amb33147628 [0,0,0,0,0,0|2,0,1]=3 1 B17R3.1910 c1cc2c(c(CC3CCCN3)c1)OCC2 Amb33428983 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.4227 Clc1ccc2nsnc2c1NC3=NCCN3 Amb2453666 [0,1,0,0,0,0|3,0,0]=4 3 B18R3.4227 Clc1ccc2nsnc2c1NC3=NCCN3 Amb535468 [0,1,0,0,0,0|3,0,0]=4 4 B16R2.2304 CCOc1ccccc1NC2=NCCS2 Amb1103949 [0,0,1,0,0,0|2,0,0]=3 5 B16R2.2304 CCOc1ccccc1\N=C2\NCCS2 Amb2762789 [0,0,1,0,0,0|2,0,1]=4 6 B16R2.29551 CCCC(=O)Nc1cccc2c1CCN2 Amb32696140 [0,0,1,0,0,0|3,0,0]=4 7 B16R2.29551 CCNC(=O)Nc1cccc2c1CCN2 Amb32696149 [0,0,1,0,0,0|2,0,0]=3 8 B16R3.5924 c1cc2c(c(C3=NCCN3)c1)CNC2 Amb29856724 [0,0,0,0,1,0|1,0,0]=2 9 B16R3.5924 c1cc2c(c(C3CCCN3)c1)CCC2 Amb24419951 [0,0,0,0,1,0|1,0,1]=3 10 B16R3.5924 c1cc2c(c(C3CCCN3)c1)CCO2 Amb27237627 [0,0,0,0,1,0|2,0,1]=4 11 B16R3.5924 c1cc2c(c(C3CCCN3)c1)OCC2 Amb27587887 [0,0,0,0,1,0|2,0,1]=4 12 B16R3.5924 c1cc2c(c(C3NCCS3)c1)OCC2 Amb29871871 [0,0,0,0,1,0|2,0,1]=4 13 B18R3.11 c1cc2c(c(CC3CCCN3)c1)CCCC2 Amb33316657 [0,0,0,0,0,1|2,0,1]=4 14 B18R3.11 c1cc2c(c(NC3CCCC3)c1)CCNC2 Amb19109444 [0,0,0,0,0,1|2,0,1]=4 15 B18R3.2115 c1cc2c(c(CC3CCCNC3)c1)CCC2 Amb33147757 [0,0,0,0,0,1|2,0,1]=4 16 B18R3.2115 c1cc2c(c(OC3CCCNC3)c1)CCC2 Amb33144947 [0,0,0,0,0,1|2,0,1]=4 17 B15R2.2053 CCc1cccc(NC2=NCCC2)c1 Amb3319446 [1,0,1,0,0,0|1,0,0]=3 18 B15R2.2053 CCc1cccc(NC2=NCCN2)c1 Amb28144402 [1,0,1,0,0,0|0,0,0]=2 19 B15R2.2053 CCc1cccc(NC2=NCCS2)c1 Amb7760677 [1,0,1,0,0,0|1,0,0]=3 20 B15R2.2053 COc1cccc(CC2=NCCN2)c1 Amb18564751 [1,0,1,0,0,0|2,0,0]=4 21 B15R2.2053 CSc1cccc(NC2=NCCS2)c1 Amb7803894 [1,0,1,0,0,0|2,0,0]=4 22 B15R2.1109 Cc1c(Br)cccc1NC2=NCCN2 Amb25691358 [1,0,1,0,0,0|1,0,0]=3 23 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCN2 Amb26396533 [1,0,1,0,0,0|1,0,0]=3 24 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCS2 Amb2262896 [1,0,1,0,0,0|2,0,0]=4 25 B15R2.1109 Cc1c(Cl)cncc1NC2=NCCN2 Amb35706891 [1,0,1,0,0,0|2,0,0]=4 26 B15R2.1109 Cc1c(F)cccc1NC2=NCCN2 Amb28191249 [1,0,1,0,0,0|1,0,0]=3 27 B15R2.1109 Cc1c(I)cccc1NC2=NCCC2 Amb27233237 [1,0,1,0,0,0|2,0,0]=4 28 B15R2.1109 Cc1cccc(NC2=NCCN2)c1F Amb27260924 [1,0,1,0,0,0|1,0,0]=3 29 B15R2.1109 Cc1cccc(NC2=NCCO2)c1C Amb27643623 [1,0,1,0,0,0|1,0,0]=3 30 B15R2.1109 Cc1cccc(NC2=NCCS2)c1Br Amb27947806 [1,0,1,0,0,0|2,0,0]=4 31 B15R2.1109 Cc1cccc(NC2=NCCS2)c1C Amb7755222 [1,0,1,0,0,0|1,0,0]=3 32 B15R2.1109 Cc1cccc(NC2=NCCS2)c1Cl Amb27232413 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.1109 Clc1c(Br)cccc1NC2=NCCN2 Amb35721557 [1,0,1,0,0,0|2,0,0]=4 34 B15R2.1109 Fc1c(Br)cccc1NC2=NCCN2 Amb35615187 [1,0,1,0,0,0|2,0,0]=4 35 B15R2.1109 Nc1c(Cl)cccc1NC2=NCCN2 Amb32670320 [1,0,1,0,0,0|2,0,0]=4 36 B15R2.1109 Nc1c(F)cccc1NC2=NCCN2 Amb32670186 [1,0,1,0,0,0|2,0,0]=4 37 B15R2.1109 Nc1cccc(NC2=NCCN2)c1Cl Amb32670322 [1,0,1,0,0,0|2,0,0]=4 38 B15R2.123 CCc1ccccc1NC2=NCCN2 Amb26855801 [1,0,1,0,0,0|0,0,0]=2 39 B15R2.123 COc1ccccc1CC2=NCCN2 Amb18564750 [1,0,1,0,0,0|2,0,0]=4 40 B15R2.123 COc1ccccc1NC2=NCCS2 Amb1103973 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.123 N#Cc1ccccc1NC2=NCCN2 Amb28365096 [1,0,1,0,0,0|1,0,1]=4 42 B15R2.4278 NCCCCc1cccc2c1CCC2 Amb33145791 [1,0,1,0,0,0|1,0,1]=4 43 B15R2.4278 NCCCNc1cccc2c1CCO2 Amb35592713 [1,0,1,0,0,0|1,0,1]=4 44 B15R2.4278 NCCCOc1cccc2c1CCC2 Amb33145456 [1,0,1,0,0,0|1,0,1]=4 45 B15R2.19139 CCC(=N)Nc1cccc2c1CCO2 Amb30029049 [1,0,1,0,0,0|1,0,0]=3 46 B15R2.19139 CCC(=O)Nc1cccc2c1CCN2 Amb32696141 [1,0,1,0,0,0|2,0,0]=4 47 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 Amb30028969 [1,0,1,0,0,0|2,0,0]=4 48 B15R2.19139 CCC(=O)Nc1cccc2c1CNC2 Amb35661694 [1,0,1,0,0,0|2,0,0]=4 49 B15R2.19139 CNC(=N)Nc1cccc2c1CCO2 Amb30028991 [1,0,1,0,0,0|1,0,0]=3 50 B15R2.19139 CNC(=O)Nc1cccc2c1CCO2 Amb35675767 [1,0,1,0,0,0|2,0,0]=4 51 B15R2.19139 CNC(=O)Nc1cccc2c1CNC2 Amb35702550 [1,0,1,0,0,0|2,0,0]=4 52 B15R2.19139 CNC(=S)Nc1cccc2c1CCO2 Amb29849886 [1,0,1,0,0,0|2,0,0]=4 53 B15R2.19139 COC(=O)Nc1cccc2c1CCC2 Amb22364734 [1,0,1,0,0,0|2,0,0]=4 54 B15R2.19139 N\C(=N\O)Nc1cccc2c1CCO2 Amb35606162 [1,0,1,0,0,0|2,0,0]=4 55 B15R2.19139 N\N=C(\N)Nc1cccc2c1CCO2 Amb30028992 [1,0,1,0,0,0|2,0,0]=4 56 B15R2.19139 O=C(CCl)Nc1cccc2c1CCC2 Amb27408622 [1,0,1,0,0,0|2,0,0]=4 57 B17R2.20430 Cc1c(NC2=NCCN2)cccc1[N+](=O)[O-] Amb32723055 [0,1,1,0,0,0|2,0,0]=4 58 B17R2.2458 CCOc1ccccc1NC2=NC(C)CS2 Amb1104097 [0,1,1,0,0,0|2,0,0]=4 59 B17R2.74423 CCCNC(=O)Nc1cccc2c1CCN2 Amb32696148 [0,1,1,0,0,0|2,0,0]=4 60 B17R2.49538 CCCC(=O)Nc1cccc2c1CCC2N Amb33039848 [0,1,1,0,0,0|2,0,0]=4 61 B17R2.49538 CCNC(=O)Nc1cccc2c1CCC2N Amb33039877 [0,1,1,0,0,0|1,0,0]=3 62 B17R2.147063 CC(C)NC(=O)Nc1cccc2c1CCN2 Amb32696150 [0,1,1,0,0,0|2,0,0]=4 63 B17R3.21035 c1cc2c(cc1NC3=NCCN3)OCO2 Amb32723032 [0,0,1,1,0,0|2,0,0]=4 64 B17R3.2679 c1ccc2c(c1)CCCC2C3=NCCN3 Amb611354 [0,0,1,1,0,0|1,0,0]=3 65 B17R3.2679 c1ccc2c(c1)CCCC2C3=NCCN3 Amb6336338 [0,0,1,1,0,0|1,0,0]=3 66 B17R3.2679 c1ccc2c(c1)CCCN2C3=NCCS3 Amb30622616 [0,0,1,1,0,0|1,0,0]=3 67 B15R2.68 CCOc1cccc(C2=NCCN2)c1 Amb17578531 [0,0,1,0,1,0|1,0,0]=3 68 B15R2.68 COCc1cccc(C2=NCCN2)c1 Amb17578533 [0,0,1,0,1,0|1,0,0]=3 69 B15R2.43 CCCc1ccccc1C2NCCS2 Amb28408986 [0,0,1,0,1,0|1,0,1]=4 70 B15R2.43 CCNc1ccccc1C2=NCCO2 Amb27606517 [0,0,1,0,1,0|2,0,0]=4 71 B15R2.43 CCOc1ncccc1C2=NCCN2 Amb17578565 [0,0,1,0,1,0|2,0,0]=4 72 B15R2.43 CCSc1ccccc1C2=NCCN2 Amb28076869 [0,0,1,0,1,0|1,0,0]=3 73 B15R2.43 NCCc1ccccc1C2=NCCO2 Amb27186636 [0,0,1,0,1,0|2,0,0]=4 74 B15R2.16721 CCCc1ccccc1NC2CCC2 Amb19078060 [0,0,1,0,1,0|1,0,1]=4 75 B15R2.17340 CCC[C@@H](N)c1cccc2c1CCC2 Amb27878481 [0,0,1,0,1,0|1,0,1]=4 76 B15R2.17340 CCNC(=O)c1cccc2c1CCN2 Amb23585999 [0,0,1,0,1,0|2,0,0]=4 77 B15R2.17340 CCNC(=O)c1cccc2c1CNC2 Amb30033023 [0,0,1,0,1,0|2,0,0]=4 78 B15R2.17340 CCOC(=N)c1cccc2c1OCC2 Amb29871878 [0,0,1,0,1,0|2,0,0]=4 79 B15R2.17340 CCOC(=O)c1cccc2c1CCC2 Amb22494741 [0,0,1,0,1,0|2,0,0]=4 80 B15R3.4382 c1cc(NC2CC2)c3c(c1)OCC3 Amb35592703 [0,0,0,0,2,0|1,0,1]=4 81 B15R3.4382 c1cc(NC2CC2)c3c(n1)CCC3 Amb32416295 [0,0,0,0,2,0|1,0,1]=4 82 B15R3.6952 c1cc2c(c(C3CCN3)c1)CCC2 Amb27403546 [0,0,0,0,2,0|0,0,1]=3 83 B15R3.6952 c1cc2c(c(C3CCN3)c1)CCO2 Amb27759410 [0,0,0,0,2,0|1,0,1]=4 84 B15R3.6952 c1cc2c(c(C3CCN3)c1)NCC2 Amb28325958 [0,0,0,0,2,0|1,0,1]=4 85 B15R3.6952 c1cc2c(c(C3CCN3)c1)OCC2 Amb26583192 [0,0,0,0,2,0|1,0,1]=4 86 B15R3.6952 c1cc2c(c([C@@H]3CCN3)c1)CCC2 Amb28291458 [0,0,0,0,2,0|0,0,1]=3 87 B15R3.6952 c1cc2c(c([C@@H]3CCN3)c1)NCC2 Amb28456616 [0,0,0,0,2,0|1,0,1]=4 88 B15R3.6952 c1cc2c(c([C@H]3CCN3)c1)CCC2 Amb27187245 [0,0,0,0,2,0|0,0,1]=3 89 B17R2.87 CCOc1ccccc1NC2=NCCCS2 Amb8471535 [0,0,1,0,0,1|2,0,0]=4 90 B17R2.16287 Cc1cccc(NCC2=NCCN2)c1C#N Amb24102042 [0,0,1,0,0,1|1,0,1]=4 91 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCN2 Amb20669392 [0,0,1,0,0,1|2,0,0]=4 92 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCN2 Amb6246624 [0,0,1,0,0,1|2,0,0]=4 93 B17R3.1968 c1cc2c(c(NC3CCC3)c1)CCCC2 Amb19091948 [0,0,0,0,1,1|1,0,1]=4 94 B19R3.28 c1cc2c(c(NC3=NCCCS3)c1)CCCC2 Amb9212150 [0,0,0,0,0,2|1,0,0]=3 95 B19R3.4444 c1cc2c(c(OCC3=NCCN3)c1)CCCC2 Amb17075386 [0,0,0,0,0,2|1,0,0]=3