0 B21R2.2538 CCOc1ccc(C=NNC(=N)c2cccc[n]2)cc1 Amb24086887 [0,0,0,0,0,0|3,0,1]=4 1 B21R2.2538 CCOc1ccc(C=NNC(=O)c2cc[n]cc2)cc1 Amb24058592 [0,0,0,0,0,0|2,0,2]=4 2 B21R2.2538 CCOc1ccc(cc1)CNCC(c2ccccc2)O Amb1931544 [0,0,0,0,0,0|0,0,2]=2 3 B21R2.2538 CCOc1ccc(cc1)NCCN(C)c2ccccc2 Amb20139471 [0,0,0,0,0,0|4,0,0]=4 4 B21R2.2538 CCOc1ccc(cc1)\C=N/NC(=O)c2ccccn2 Amb2472111 [0,0,0,0,0,0|2,0,2]=4 5 B21R2.2538 CCOc1ccc(cc1)\C=N/NC(=O)c2ccncc2 Amb16203134 [0,0,0,0,0,0|2,0,2]=4 6 B21R2.2538 CCOc1ccc(cc1)\C=N\CC(c2ccccc2)O Amb16765908 [0,0,0,0,0,0|0,0,0]=0 7 B21R2.2538 CCOc1ccc(cc1)\C=N\NC(=O)c2ccccn2 Amb1868740 [0,0,0,0,0,0|2,0,2]=4 8 B21R2.2538 CCOc1ccc(cc1)\C=N\NC(=O)c2cccnc2 Amb1858606 [0,0,0,0,0,0|2,0,2]=4 9 B21R2.2538 CCOc1ccc(cc1)\C=N\NC(=O)c2ccncc2 Amb1652691 [0,0,0,0,0,0|2,0,2]=4 10 B20R2.91 CCc1ccc(cc1)CNCC(c2ccccc2)O Amb1931559 [1,0,0,0,0,0|0,0,2]=3 11 B20R2.91 CCc1ccc(cc1)NCCC(c2ccccc2)O Amb17355313 [1,0,0,0,0,0|2,0,0]=3 12 B20R2.91 CCc1ccc(cc1)\C=N\NC(=O)c2ccccc2 Amb1889983 [1,0,0,0,0,0|1,0,2]=4 13 B20R2.91 COc1ccc(cc1)CNCC(c2ccccc2)C Amb2119984 [1,0,0,0,0,0|1,0,2]=4 14 B20R2.4584 CCNc1ccc(cc1)OCCCc2ccccc2 Amb19965289 [1,0,0,0,0,0|3,0,0]=4 15 B20R2.4584 CCOc1ccc(cc1)NCCNc2ccccc2 Amb20139079 [1,0,0,0,0,0|3,0,0]=4 16 B20R2.4584 CCOc1ccc(cc1)OCCOc2ccccc2 Amb1242709 [1,0,0,0,0,0|3,0,0]=4 17 B20R2.4584 OCCc1ccc(\C=N\OCc2ccccc2)cc1 Amb22456589 [1,0,0,0,0,0|3,0,0]=4 18 B22R2.2470 CCOc1ccc(cc1)OCCC(c2ccccc2)C#N Amb17439086 [0,1,0,0,0,0|3,0,0]=4 19 B22R2.2484 CCOc1ccc(cc1)\C=N\NC(=O)c2cccc(c2)Br Amb1906390 [0,1,0,0,0,0|1,0,2]=4 20 B22R2.2486 CCCc1ccc(cc1)C(=O)NCC(N)c2ccccc2 Amb25584390 [0,1,0,0,0,0|2,0,1]=4 21 B22R2.2526 CCOc1ccc(cc1)NCCC(c2ccc(cc2)F)O Amb2443616 [0,1,0,0,0,0|2,0,0]=3 22 B22R2.2526 CCOc1ccc(cc1)\C=N/NC(=O)c2ccc(cc2)Cl Amb2542689 [0,1,0,0,0,0|1,0,2]=4 23 B22R2.2526 CCOc1ccc(cc1)\C=N/NC(=O)c2ccc(cc2)F Amb1888643 [0,1,0,0,0,0|1,0,2]=4 24 B22R2.2526 CCOc1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)Cl Amb1675476 [0,1,0,0,0,0|1,0,2]=4 25 B22R2.2526 CCOc1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)N Amb2082146 [0,1,0,0,0,0|1,0,2]=4 26 B22R2.2526 CCOc1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)O Amb1651888 [0,1,0,0,0,0|1,0,2]=4 27 B22R2.2526 CCOc1ccc(cc1)\C=N\OC(=O)c2ccc(cc2)C Amb2442642 [0,1,0,0,0,0|1,0,2]=4 28 B22R2.2526 CCOc1ccc(cc1)\C=N\OC(=O)c2ccc(cc2)Cl Amb2442641 [0,1,0,0,0,0|1,0,2]=4 29 B22R2.4081 C#CCOc1ccc(CNCC(O)c2ccccc2)cc1 Amb21969047 [0,1,0,0,0,0|0,0,3]=4 30 B22R2.4081 OCCOc1ccc(cc1)CNCC(c2ccccc2)O Amb2175930 [0,1,0,0,0,0|0,0,2]=3 31 B22R2.26806 CC(Oc1ccc(cc1)\C=N\NC(=O)c2ccccc2)C Amb1014907 [0,1,0,0,0,0|1,0,2]=4 32 B22R2.26806 OC(CSCc1ccc(OC(F)F)cc1)c2ccccc2 Amb17925627 [0,1,0,0,0,0|2,0,1]=4 33 B22R2.35782 CCOc1ccc(cc1)\C=N/OC(=O)c2ccccc2I Amb1008688 [0,1,0,0,0,0|1,0,2]=4 34 B22R2.35782 CCOc1ccc(cc1)\C=N\NC(=O)c2ccccc2Br Amb1895860 [0,1,0,0,0,0|1,0,2]=4 35 B22R2.135527 CCOc1ccc(cc1Br)CNCC(c2ccccc2)O Amb2119795 [0,1,0,0,0,0|0,0,2]=3 36 B22R2.135527 CCOc1ccc(cc1Cl)CNCC(c2ccccc2)O Amb2119794 [0,1,0,0,0,0|0,0,2]=3 37 B22R2.392223 CCOc1ccc(c(c1)O)\C=N\NC(=O)c2ccccc2 Amb1889995 [0,1,0,0,0,0|1,0,2]=4 38 B22R3.33 CCOc1ccc(cc1)-c2cc([nH][n]2)-c3ccccc3 Amb23539620 [0,0,0,1,0,0|2,0,1]=4 39 B22R3.789433 OC(c1ccccc1)CNCc2ccc3c(c2)OCO3 Amb1925773 [0,0,0,1,0,0|1,0,2]=4 40 B22R3.2885010 CCOc1ccc(cc1)C2=NNC(=S)c3ccccc32 Amb18545468 [0,0,0,1,0,0|1,1,1]=4 41 B20R2.4560 CCOc1ccc(cc1)/C=N/N(C)c2ccccc2 Amb17866578 [0,0,0,0,1,0|2,0,0]=3 42 B20R2.4560 CCOc1ccc(cc1)NCC(=O)c2ccccc2 Amb17355174 [0,0,0,0,1,0|0,0,3]=4 43 B20R2.4560 CCOc1ccc(cc1)NCC(c2ccccc2)O Amb17162652 [0,0,0,0,1,0|0,0,1]=2 44 B20R2.4560 CCOc1ccc(cc1)NCC(c2ccccn2)O Amb17162947 [0,0,0,0,1,0|1,0,1]=3 45 B20R2.4560 CCOc1ccc(cc1)NCC(c2cccnc2)O Amb17162949 [0,0,0,0,1,0|1,0,1]=3 46 B20R2.4560 CCOc1ccc(cc1)NCC(c2ccncc2)O Amb17162951 [0,0,0,0,1,0|1,0,1]=3 47 B22R2.2482 CCOc1ccc(cc1)NCCNC(C)c2ccccc2 Amb20139455 [0,0,0,0,0,1|3,0,0]=4 48 B22R2.2485 CCOc1ccc(cc1)\C=N\NC(=O)Cc2ccccc2 Amb1838333 [0,0,0,0,0,1|1,0,2]=4 49 B19R2.57 COc1ccc(C=NN=Cc2ccccc2)cc1 Amb24092520 [2,0,0,0,0,0|1,0,1]=4 50 B19R2.57 COc1ccc(cc1)\C=N\CCc2ccccc2 Amb2509899 [2,0,0,0,0,0|0,0,0]=2 51 B19R2.11850 Cc1ccc(cc1)\C=N\CC(c2ccccc2)O Amb10808481 [2,0,0,0,0,0|0,0,0]=2 52 B19R2.11850 Cc1ccc(cc1)\C=N\CN(c2ccccc2)C Amb10558932 [2,0,0,0,0,0|2,0,0]=4 53 B19R2.11850 Fc1ccc(cc1)\C=N\CC(c2ccccc2)O Amb10797618 [2,0,0,0,0,0|1,0,0]=3 54 B21R2.78 COc1ccc(cc1)CNCC(c2cccc(c2)Br)O Amb15747398 [1,1,0,0,0,0|0,0,2]=4 55 B21R2.80 CCc1ccc(cc1)C(=O)NCC(C)c2ccccc2 Amb20686267 [1,1,0,0,0,0|1,0,1]=4 56 B21R2.80 COc1ccc(cc1)C(=O)NCC(c2ccccc2)C Amb10500990 [1,1,0,0,0,0|1,0,1]=4 57 B21R2.116 COc1ccc(cc1)CNCC(c2ccc(cc2)F)O Amb15706442 [1,1,0,0,0,0|0,0,2]=4 58 B21R2.116 COc1ccc(cc1)NCCC(c2ccc(cc2)Cl)O Amb2443449 [1,1,0,0,0,0|2,0,0]=4 59 B21R2.116 Cc1ccc(cc1)C(O)CNCc2ccc(cc2)OC Amb18093126 [1,1,0,0,0,0|0,0,2]=4 60 B21R2.5917 CC(NCc1ccc(cc1)OC)C(O)c2ccccc2 Amb18092971 [1,1,0,0,0,0|0,0,2]=4 61 B21R2.6675 COc1ccc(cc1)CNCC(c2ccccc2F)O Amb15709226 [1,1,0,0,0,0|0,0,2]=4 62 B21R2.12884 OC(c1ccccc1)CNCc2ccc(cc2)C(C)C Amb1929148 [1,1,0,0,0,0|0,0,2]=4 63 B21R2.35557 COc1ccc(CSCC(O)c2ccccc2)cc1F Amb17906610 [1,1,0,0,0,0|1,0,1]=4 64 B21R2.35557 COc1ccc(cc1Cl)CNCC(c2ccccc2)O Amb11014355 [1,1,0,0,0,0|0,0,2]=4 65 B21R2.2579 CCOc1ccc(cc1)C(=O)NOCc2ccccc2 Amb10682504 [1,1,0,0,0,0|1,0,1]=4 66 B21R2.2579 CCOc1ccc(cc1)C(=O)OCCc2ccccc2 Amb21195570 [1,1,0,0,0,0|1,0,0]=3 67 B21R2.3453 CCCOc1ccc(cc1)NCCCc2ccccc2 Amb19963404 [1,1,0,0,0,0|2,0,0]=4 68 B21R2.3453 OCCOc1ccc(cc1)CNCCc2ccccc2 Amb2175905 [1,1,0,0,0,0|0,0,2]=4 69 B21R2.4675 CCOc1ccc(CNCCc2ccc(Cl)cc2)cc1 Amb22588004 [1,1,0,0,0,0|0,0,2]=4 70 B21R2.4675 CCOc1ccc(CNCCc2ccc(F)cc2)cc1 Amb22587058 [1,1,0,0,0,0|0,0,2]=4 71 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)Cl Amb1897667 [1,1,0,0,0,0|0,0,2]=4 72 B21R2.4675 CCOc1ccc(cc1)CNCCc2ccc(cc2)F Amb1836039 [1,1,0,0,0,0|0,0,2]=4 73 B21R2.28968 CCOc1ccc(cc1)CNCCc2ccccc2F Amb1929569 [1,1,0,0,0,0|0,0,2]=4 74 B21R2.28968 CCOc1ccc(cc1)NCCCc2ccccc2Cl Amb20076808 [1,1,0,0,0,0|2,0,0]=4 75 B21R2.28968 Cc1ccccc1CCNCc2ccc(cc2)OCC Amb20080152 [1,1,0,0,0,0|0,0,2]=4 76 B21R2.2530 CCOc1ccc(cc1)C(=O)NC(C)c2ccccc2 Amb17698392 [0,1,0,0,1,0|1,0,1]=4 77 B21R2.2530 CCOc1ccc(cc1)C(=O)N[C@@H](C)c2ccccc2 Amb23182627 [0,1,0,0,1,0|1,0,1]=4 78 B21R2.28901 CCOc1ccc(CNC(CO)c2ccccc2)cc1 Amb24822759 [0,1,0,0,1,0|0,0,2]=4 79 B23R2.2404 CCOc1ccc(cc1)NC(=O)NCC(O)c2ccccc2 Amb19434199 [0,1,0,0,0,1|0,0,1]=3 80 B23R2.167973 CCOc1ccc(cc1)C(=O)NCCC(O)c2ccccc2 Amb21943936 [0,1,0,0,0,1|0,0,1]=3 81 B23R2.2382 CCOc1ccc(cc1)C(=O)NCC(O)Cc2ccccc2 Amb21941947 [0,1,0,0,0,1|0,0,1]=3 82 B23R2.41815 CCOc1ccc(cc1)C(=O)NCC(c2ccccc2)CC Amb245587 [0,2,0,0,0,0|1,0,1]=4 83 B23R2.41815 COC(CNC(=O)c1ccc(cc1)OCC)c2ccccc2 Amb21243951 [0,2,0,0,0,0|0,0,1]=3 84 B23R2.168451 CCOc1ccc(CNCC(O)c2cc(O)ccc2)cc1Cl Amb19706366 [0,2,0,0,0,0|0,0,2]=4 85 B23R2.3735 CCCOc1ccc(cc1)C(=O)NCC(C)c2ccccc2 Amb23000537 [0,2,0,0,0,0|1,0,1]=4 86 B23R2.29483 CC(Oc1ccc(cc1)C(=O)NCC(c2ccccc2)C)C Amb10500969 [0,2,0,0,0,0|1,0,1]=4 87 B23R2.29483 CC(Sc1ccc(cc1)C(=O)NCC(c2ccccc2)O)C Amb15759927 [0,2,0,0,0,0|0,1,1]=4 88 B23R2.168453 CCOc1ccc(cc1Cl)C(=O)NCC(C)c2ccccc2 Amb23219638 [0,2,0,0,0,0|1,0,1]=4 89 B23R2.168453 Cc1cc(ccc1OCC)C(=O)NCC(C)c2ccccc2 Amb23169310 [0,2,0,0,0,0|1,0,1]=4 90 B23R2.169868 CC(C(O)c1ccccc1)N(C)Cc2ccc(cc2)OCC Amb20091113 [0,2,0,0,0,0|0,0,2]=4 91 B21R3.5 COc1ccc(cc1)C=2CC(NN2)c3ccccc3 Amb20665963 [1,0,0,1,0,0|2,0,0]=4 92 B21R3.9915 COc1ccc(CC2CC(O)c3ccccc32)cc1 Amb22453884 [1,0,0,1,0,0|1,0,1]=4 93 B21R3.181633 CCc1ccc(cc1)-c2[n][n]c(O)c3ccccc32 Amb22330434 [1,0,0,1,0,0|1,0,1]=4 94 B21R3.181633 COc1ccc(cc1)-c2[n][n]c(O)c3ccccc32 Amb22330430 [1,0,0,1,0,0|1,0,1]=4 95 B21R3.41536 OC(c1ccccc1)CNc2ccc3c(c2)OCO3 Amb17162583 [0,0,0,1,1,0|1,0,1]=4 96 B23R3.1965017 CCOc1ccc(cc1)\C=N\Nc2nc3c(o2)cccc3 Amb10576858 [0,0,0,1,0,1|1,0,1]=4 97 B19R2.79 CCc1ccc(cc1)OCC(c2ccccc2)N Amb1129910 [1,0,0,0,1,0|2,0,0]=4 98 B19R2.79 COc1ccc(c[n]1)NCC(O)c2ccccc2 Amb23919337 [1,0,0,0,1,0|1,0,1]=4 99 B19R2.79 COc1ccc(cc1)/C=N/N(C)c2ccccc2 Amb17703488 [1,0,0,0,1,0|2,0,0]=4 100 B19R2.79 COc1ccc(cc1)CCC(c2ccccn2)O Amb2435741 [1,0,0,0,1,0|1,0,1]=4 101 B19R2.79 COc1ccc(cc1)OCC(c2ccccc2)N Amb1134029 [1,0,0,0,1,0|2,0,0]=4 102 B19R2.79 COc1ccc(cc1)\C=N\[C@@H](c2ccccc2)C Amb10562652 [1,0,0,0,1,0|1,0,0]=3 103 B19R2.4312 CCNc1ccc(cc1)OCCc2ccccc2 Amb19964265 [1,0,0,0,1,0|2,0,0]=4 104 B19R2.4312 CCOc1ccc(cc1)\C=N/Nc2ccccc2 Amb10244470 [1,0,0,0,1,0|1,0,0]=3 105 B19R2.4312 CCOc1ccc(cc1)\C=N\Nc2ccccc2 Amb1008952 [1,0,0,0,1,0|1,0,0]=3 106 B19R2.4312 CCOc1ccc(cc1)\C=N\Nc2ccncc2 Amb10576993 [1,0,0,0,1,0|2,0,0]=4 107 B19R2.4285 CCOc1ccc(cc1)NCC(c2ccco2)O Amb17160056 [0,0,0,0,2,0|1,0,1]=4 108 B19R2.4285 CCOc1ccc(cc1)NCC(c2cccs2)O Amb17164493 [0,0,0,0,2,0|1,0,1]=4 109 B21R2.76 COc1ccc(CCNCC(O)c2ccccc2)cc1 Amb18604502 [1,0,0,0,0,1|0,0,2]=4 110 B21R2.76 COc1ccc(CCSCC(O)c2ccccc2)cc1 Amb17906605 [1,0,0,0,0,1|1,0,1]=4 111 B21R2.76 COc1ccc(cc1)CCNCC(c2ccccc2)O Amb23135 [1,0,0,0,0,1|0,0,2]=4 112 B21R2.2528 CCOc1ccc(cc1)CNCCOc2ccccc2 Amb17167115 [1,0,0,0,0,1|0,0,2]=4 113 B21R2.2528 CCOc1ccc(cc1)NCCNCc2ccccc2 Amb20139451 [1,0,0,0,0,1|2,0,0]=4 114 B21R2.2528 CCOc1ccc(cc1)OCCCOc2ccccc2 Amb1242622 [1,0,0,0,0,1|2,0,0]=4