0 B19R3.54136 Cc1cccc(OCc2nc3c(s2)CCN3)c1 Amb17258551 [0,0,0,0,0,0|3,0,0]=3 1 B19R3.54136 Clc1cccc(OCc2nc3c(s2)CCN3)c1 Amb17272479 [0,0,0,0,0,0|4,0,0]=4 2 B19R3.54136 Fc1cccc(OCc2nc3c(s2)CCN3)c1 Amb17261297 [0,0,0,0,0,0|4,0,0]=4 3 B19R3.54136 Nc1cccc(OCc2nc3c(s2)CCC3)c1 Amb5729426 [0,0,0,0,0,0|3,0,0]=3 4 B18R3.12830 c1ccc(OCc2nc3c(s2)CCN3)cc1 Amb17250164 [1,0,0,0,0,0|3,0,0]=4 5 B20R3.41102 CCc1cccc(OCc2nc3c(s2)CCN3)c1 Amb17267800 [0,1,0,0,0,0|3,0,0]=4 6 B20R3.41102 COc1cccc(OCc2nc3c(s2)CCN3)c1 Amb17269218 [0,1,0,0,0,0|3,0,0]=4 7 B20R3.85406 Cc1cc(C)cc(OCc2nc3c(s2)CCN3)c1 Amb17267806 [0,1,0,0,0,0|3,0,0]=4 8 B20R3.92451 Cc1cccc(OCc2nc3c(s2)CCN3)c1C Amb17267805 [0,1,0,0,0,0|3,0,0]=4 9 B20R3.303736 Cc1ccc(C)c(OCc2nc3c(s2)CCN3)c1 Amb17267803 [0,1,0,0,0,0|3,0,0]=4 10 B20R3.405034 Cc1cc(OCc2nc3c(s2)CCC3)ccc1N Amb17101262 [0,1,0,0,0,0|2,0,0]=3 11 B20R3.405034 Cc1ccc(OCc2nc3c(s2)CCN3)cc1C Amb17267807 [0,1,0,0,0,0|3,0,0]=4 12 B18R2.2872 Cc1cccc(CCc2nc(C)c(CO)s2)c1 Amb17259355 [0,0,1,0,0,0|3,0,0]=4 13 B18R2.2872 Cc1cccc(OCc2nc(C)c(CO)s2)c1 Amb17352340 [0,0,1,0,0,0|3,0,0]=4 14 B18R2.5599 CNCc1cnc(COc2cccc(C)c2)s1 Amb17514335 [0,0,1,0,0,0|3,0,0]=4 15 B18R2.5599 CNCc1csc(COc2cccc(C)c2)n1 Amb17518507 [0,0,1,0,0,0|3,0,0]=4 16 B18R3.31892 Brc1cccc(Cc2nc3c(s2)CCC3)c1 Amb32697361 [0,0,0,0,1,0|2,0,0]=3 17 B18R3.31892 Fc1cccc(Cc2nc3c(s2)CCC3)c1 Amb32697360 [0,0,0,0,1,0|2,0,0]=3 18 B18R3.31892 Nc1cccc(Cc2nc3c(s2)CCC3)c1 Amb32697362 [0,0,0,0,1,0|2,0,0]=3 19 B20R3.91525 Cc1cccc(NCc2nc3c(s2)CCCC3)c1 Amb17356690 [0,0,0,0,0,1|1,0,0]=2 20 B20R3.91525 Cc1cccc(OCc2nc3c(s2)CCCN3)c1 Amb17267795 [0,0,0,0,0,1|2,0,0]=3 21 B20R3.91525 Clc1cccc(NCc2nc3c(s2)CCCC3)c1 Amb17369521 [0,0,0,0,0,1|2,0,0]=3 22 B20R3.91525 Fc1cccc(NCc2nc3c(s2)CCCC3)c1 Amb17358848 [0,0,0,0,0,1|2,0,0]=3 23 B20R3.91525 Fc1cccc(OCc2nc3c(s2)CCCN3)c1 Amb17270872 [0,0,0,0,0,1|3,0,0]=4 24 B20R3.91525 Nc1cccc(CCc2nc3c(s2)CCCC3)c1 Amb18880447 [0,0,0,0,0,1|3,0,0]=4 25 B20R3.91525 Nc1cccc(OCc2nc3c(s2)CCCC3)c1 Amb5729427 [0,0,0,0,0,1|3,0,0]=4 26 B20R3.92042 Cc1cccc(OCCc2nc3c(s2)CCN3)c1 Amb17267796 [0,0,0,0,0,1|3,0,0]=4 27 B17R2.41892 Cc1cccc(NCc2nc(C)c(C)s2)c1 Amb17345255 [1,0,1,0,0,0|1,0,0]=3 28 B17R2.41892 Cc1nc(CNc2cccc(Cl)c2)sc1C Amb17354053 [1,0,1,0,0,0|2,0,0]=4 29 B17R2.41892 Cc1nc(CNc2cccc(F)c2)sc1C Amb17346940 [1,0,1,0,0,0|2,0,0]=4 30 B19R2.9222 Cc1cccc(OCc2nc(C)c(CCN)s2)c1 Amb17065860 [0,1,1,0,0,0|2,0,0]=4 31 B19R2.101663 CC(=O)c1sc(CNc2cccc(C)c2)nc1C Amb17357623 [0,1,1,0,0,0|1,0,1]=4 32 B19R3.202335 NC(Cc1ccccc1)c2nc3c(s2)CCC3 Amb5740599 [1,1,0,0,0,0|2,0,0]=4 33 B19R3.242399 Nc1ccc(OCc2nc3c(s2)CCC3)cc1 Amb5729392 [1,1,0,0,0,0|2,0,0]=4 34 B21R3.7332 Cc1cc(C)cc(NCc2nc3c(s2)CCCC3)c1 Amb17365055 [0,1,0,0,0,1|1,0,0]=3 35 B21R3.7332 Cc1cc(C)cc(OCc2nc3c(s2)CCCN3)c1 Amb17277858 [0,1,0,0,0,1|2,0,0]=4 36 B21R3.8712 Cc1ccc(C)c(NCc2nc3c(s2)CCCC3)c1 Amb17365053 [0,1,0,0,0,1|1,0,0]=3 37 B21R3.8712 Cc1ccc(C)c(OCc2nc3c(s2)CCCN3)c1 Amb17277852 [0,1,0,0,0,1|2,0,0]=4 38 B21R3.67358 CCc1cccc(OCc2nc3c(s2)CCCN3)c1 Amb17277843 [0,1,0,0,0,1|2,0,0]=4 39 B21R3.67358 COc1cccc(NCc2nc3c(s2)CCCC3)c1 Amb17366270 [0,1,0,0,0,1|1,0,0]=3 40 B21R3.67358 COc1cccc(OCc2nc3c(s2)CCCN3)c1 Amb17279234 [0,1,0,0,0,1|2,0,0]=4 41 B21R3.152148 Cc1cccc(NCc2nc3c(s2)CCCC3)c1C Amb17365057 [0,1,0,0,0,1|1,0,0]=3 42 B21R3.152148 Cc1cccc(OCc2nc3c(s2)CCCN3)c1C Amb17277856 [0,1,0,0,0,1|2,0,0]=4 43 B21R3.469755 Cc1cccc(OCc2nc3c(s2)C(N)CCC3)c1 Amb5759535 [0,1,0,0,0,1|2,0,0]=4 44 B21R3.653951 Cc1cc(OCc2nc3c(s2)CCCC3)ccc1N Amb17101263 [0,1,0,0,0,1|2,0,0]=4 45 B21R3.653951 Cc1ccc(NCc2nc3c(s2)CCCC3)cc1C Amb17365054 [0,1,0,0,0,1|1,0,0]=3 46 B21R3.653951 Cc1ccc(OCc2nc3c(s2)CCCN3)cc1C Amb17277860 [0,1,0,0,0,1|2,0,0]=4 47 B17R2.2599 CCc1nc(Nc2cccc(N)c2)sc1C Amb17208933 [0,0,1,0,1,0|2,0,0]=4 48 B17R2.2599 Cc1cccc(Cc2nc(C)c(CO)s2)c1 Amb17345660 [0,0,1,0,1,0|2,0,0]=4 49 B17R2.4578 Cc1cccc(Cc2nc(CCN)cs2)c1 Amb17250338 [0,0,1,0,1,0|2,0,0]=4 50 B17R2.4578 Cc1cccc(Cc2nc(CCO)cs2)c1 Amb17345659 [0,0,1,0,1,0|2,0,0]=4 51 B17R2.4578 Cc1cccc(Cc2ncc(CCN)s2)c1 Amb18070930 [0,0,1,0,1,0|2,0,0]=4 52 B17R2.4578 Cc1cccc(Nc2nc(CCN)cs2)c1 Amb17048480 [0,0,1,0,1,0|2,0,0]=4 53 B17R3.17794 Brc1cnn(Cc2nc3c(s2)CCC3)c1 Amb33610282 [0,0,0,0,2,0|2,0,0]=4 54 B17R3.18290 Cc1cccc(-c2nc3c(s2)CCN3)c1 Amb17242365 [0,0,0,0,2,0|2,0,0]=4 55 B17R3.18290 Nc1cccc(-c2nc3c(s2)CCC3)c1 Amb5740725 [0,0,0,0,2,0|2,0,0]=4 56 B17R3.18290 Oc1cccc(-c2nc3c(s2)CCC3)c1 Amb9206971 [0,0,0,0,2,0|2,0,0]=4 57 B19R3.19255 c1ccc(COc2nc3c(s2)CCCC3)nc1 Amb33617721 [1,0,0,0,0,1|2,0,0]=4 58 B19R3.19255 c1ccc(NCc2nc3c(s2)CCCC3)cc1 Amb17349957 [1,0,0,0,0,1|1,0,0]=3 59 B19R3.19255 c1ccc(OCc2nc3c(s2)CCCN3)cc1 Amb17258548 [1,0,0,0,0,1|2,0,0]=4 60 B19R3.19315 c1ccc(CNCc2nc3c(s2)CCC3)cc1 Amb19649171 [1,0,0,0,0,1|1,0,0]=3 61 B19R3.54463 Clc1cccc(Cc2nc3c(s2)CNCC3)c1 Amb17466415 [0,0,0,0,1,1|2,0,0]=4 62 B19R3.54463 Fc1cccc(Cc2nc3c(s2)CNCC3)c1 Amb17466446 [0,0,0,0,1,1|2,0,0]=4 63 B19R3.54463 Nc1cccc(Cc2nc3c(s2)CCCC3)c1 Amb18873445 [0,0,0,0,1,1|2,0,0]=4 64 B21R3.151465 Cc1cccc(CNCc2nc3c(s2)CCCC3)c1 Amb17365045 [0,0,0,0,0,2|1,0,0]=3 65 B21R3.151465 Cc1cccc(NCCc2nc3c(s2)CCCC3)c1 Amb17365050 [0,0,0,0,0,2|1,0,0]=3 66 B21R3.151465 Cc1cccc(OCCc2nc3c(s2)CCCN3)c1 Amb17277839 [0,0,0,0,0,2|2,0,0]=4 67 B21R3.151465 Cc1cccc(OCCc2nc3c(s2)CNCC3)c1 Amb17465147 [0,0,0,0,0,2|2,0,0]=4 68 B21R3.151465 Fc1cccc(NCCc2nc3c(s2)CCCC3)c1 Amb17367758 [0,0,0,0,0,2|2,0,0]=4