0 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 Amb22453724 [0,0,0,0,0,0|3,0,0]=3 1 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb20243141 [0,0,0,0,0,0|0,0,0]=0 2 B20R2.10799 CN(C)CCSC(c1ccccc1)c2ccccc2 Amb24178889 [0,0,0,0,0,0|0,1,0]=1 3 B20R2.10799 CN(CCOC(c1ccccc1)c2ccccc2)C Amb1821836 [0,0,0,0,0,0|0,0,0]=0 4 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccc2 Amb23947280 [1,0,0,0,0,0|2,0,1]=4 5 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 Amb23912253 [1,0,0,0,0,0|3,0,0]=4 6 B19R2.2474 CNCCCN(c1ccccc1)c2ccccc2 Amb23580753 [1,0,0,0,0,0|2,0,0]=3 7 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 Amb10810350 [1,0,0,0,0,0|0,0,0]=1 8 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 Amb16231486 [1,0,0,0,0,0|0,0,0]=1 9 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 Amb22269697 [1,0,0,0,0,0|2,0,0]=3 10 B19R2.2474 NCCCNC(c1ccccc1)c2ccccc2 Amb17315296 [1,0,0,0,0,0|3,0,0]=4 11 B19R2.2474 NCCCOC(c1ccccc1)c2ccccc2 Amb18630482 [1,0,0,0,0,0|2,0,0]=3 12 B19R2.2474 NCCCSC(c1ccccc1)c2ccccc2 Amb17500715 [1,0,0,0,0,0|2,1,0]=4 13 B19R2.2474 NNCCOC(c1ccccc1)c2ccccc2 Amb22446433 [1,0,0,0,0,0|1,0,0]=2 14 B21R2.21291 CN(CCOC(c1ccccc1)c2ccccc2)C#N Amb19910026 [0,1,0,0,0,0|0,0,1]=2 15 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccc2 Amb20701421 [0,1,0,0,0,0|0,0,1]=2 16 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 Amb19910043 [0,1,0,0,0,0|0,0,1]=2 17 B21R2.97772 CC(C)=CC(=O)OC(c1ccccc1)c2ccccc2 Amb21120691 [0,1,0,0,0,0|1,0,2]=4 18 B21R2.97772 CC(C)CC(=O)OC(c1cccc[n]1)c2ccccc2 Amb20898998 [0,1,0,0,0,0|2,0,1]=4 19 B21R2.97772 CN(CC(=O)NC(c1ccccc1)c2ccccc2)C Amb2322457 [0,1,0,0,0,0|1,0,1]=3 20 B21R2.205989 CN(C)CCCC(c1ccccc1O)c2ccccc2 Amb24089873 [0,1,0,0,0,0|1,0,0]=2 21 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2C Amb17679053 [0,1,0,0,0,0|0,0,0]=1 22 B21R2.205989 CN(CCOC(c1ccccc1C)c2ccccc2)C Amb10609972 [0,1,0,0,0,0|0,0,0]=1 23 B21R2.252285 CN(C)CC#C[Si](C)(c1ccccc1)c2ccccc2 Amb22523302 [0,1,0,0,0,0|1,1,1]=4 24 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccc2 Amb22235651 [0,1,0,0,0,0|0,0,0]=1 25 B21R2.252285 CN(C)C\C=C/C(O)(c1ccccc1)c2ccccc2 Amb23478777 [0,1,0,0,0,0|1,0,1]=3 26 B21R2.252285 CN(CC#CC(c1ccccc1)(c2ccccc2)O)C Amb1817856 [0,1,0,0,0,0|1,0,1]=3 27 B21R2.252285 CN(CCCC(c1ccccc1)(c2ccccc2)O)C Amb11035932 [0,1,0,0,0,0|1,0,0]=2 28 B21R2.252285 CN(C\C=C\C(c1ccccc1)(c2ccccc2)O)C Amb2405036 [0,1,0,0,0,0|1,0,1]=3 29 B21R2.366996 CN(C)CCOC(c1ccc(Br)cc1)c2ccccc2 Amb22054534 [0,1,0,0,0,0|0,0,0]=1 30 B21R2.366996 CN(C)CCOC(c1ccc(Br)cc1)c2ccccc2 Amb22500288 [0,1,0,0,0,0|0,0,0]=1 31 B21R2.366996 CN(C)CCOC(c1ccc(N)cc1)c2ccccc2 Amb24105793 [0,1,0,0,0,0|0,0,0]=1 32 B21R2.366996 CN(C)CCOC(c1ccc(O)cc1)c2ccccc2 Amb24105744 [0,1,0,0,0,0|0,0,0]=1 33 B21R2.402445 CN(CCC(=O)C(c1ccccc1)c2ccccc2)C Amb16227248 [0,1,0,0,0,0|1,0,0]=2 34 B21R3.9913503 CN(C)CCNC1c2ccccc2-c3ccccc31 Amb22359914 [0,0,0,1,0,0|1,0,0]=2 35 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560291 [0,0,0,1,0,0|2,0,0]=3 36 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560292 [0,0,0,1,0,0|2,0,0]=3 37 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 Amb23912219 [0,0,0,0,1,0|2,0,0]=3 38 B19R2.13577 CN(CCC(c1ccccn1)c2ccccc2)C Amb10843609 [0,0,0,0,1,0|1,0,0]=2 39 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccc2 Amb11229706 [0,0,0,0,1,0|3,0,0]=4 40 B21R2.12898 CN(C)CC#CC=C(c1ccccc1)c2ccccc2 Amb21866130 [0,0,0,0,0,1|1,0,2]=4 41 B21R2.12898 CN(C)CCOCC(c1ccccc1)c2ccccc2 Amb22441629 [0,0,0,0,0,1|0,0,0]=1 42 B21R2.12898 NC(=N)SCCOC(c1ccccc1)c2ccccc2 Amb20626309 [0,0,0,0,0,1|3,0,0]=4 43 B18R2.40 CNCCN(c1ccccc1)c2ccccc2 Amb23580754 [2,0,0,0,0,0|1,0,0]=3 44 B18R2.40 NCCCN(c1ccccc1)c2ccccc2 Amb23580752 [2,0,0,0,0,0|2,0,0]=4 45 B18R2.40 NCCCP(c1ccccc1)c2ccccc2 Amb22002001 [2,0,0,0,0,0|2,0,0]=4 46 B18R2.40 NCCCP(c1ccccc1)c2ccccc2 Amb24270987 [2,0,0,0,0,0|2,0,0]=4 47 B18R2.40 NCCNC(c1cccc[n]1)c2ccccc2 Amb23919973 [2,0,0,0,0,0|2,0,0]=4 48 B18R2.40 NCCOC(c1ccccc1)c2ccccc2 Amb17079382 [2,0,0,0,0,0|0,0,0]=2 49 B18R2.40 NCCSC(c1ccccc1)c2ccccc2 Amb17500466 [2,0,0,0,0,0|0,1,0]=3 50 B20R2.2501 ClCCCOC(c1ccc(cc1)C)c2ccccc2 Amb10555862 [1,1,0,0,0,0|2,0,0]=4 51 B20R2.4159 NCCCCOB(c1ccccc1)c2ccccc2 Amb10571023 [1,1,0,0,0,0|2,0,0]=4 52 B20R2.4159 NCCCCSC(c1ccccc1)c2ccccc2 Amb17500968 [1,1,0,0,0,0|1,1,0]=4 53 B20R2.14082 CCCC(=O)OC(c1ccccc1)c2ccccc2 Amb20676403 [1,1,0,0,0,0|1,0,1]=4 54 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb21953931 [1,1,0,0,0,0|1,0,1]=4 55 B20R2.14082 CNCC(CN(c1ccccc1)c2ccccc2)O Amb2571829 [1,1,0,0,0,0|2,0,0]=4 56 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 Amb11229462 [1,1,0,0,0,0|0,0,1]=3 57 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 Amb10310513 [1,1,0,0,0,0|0,1,1]=4 58 B20R2.18148 NCC(O)COC(c1ccccc1)c2ccccc2 Amb19888679 [1,1,0,0,0,0|2,0,0]=4 59 B20R2.19886 CC(OCCNC)(c1cccc[n]1)c2ccccc2 Amb24066833 [1,1,0,0,0,0|1,0,0]=3 60 B20R2.19886 CCCCOP(=O)(c1ccccc1)c2ccccc2 Amb21952339 [1,1,0,0,0,0|2,0,0]=4 61 B20R2.21885 CNCCOC(c1ccccc1C)c2ccccc2 Amb17597075 [1,1,0,0,0,0|0,0,0]=2 62 B20R2.21885 Cc1ccccc1C(NCCOC)c2ccccc2 Amb22269587 [1,1,0,0,0,0|2,0,0]=4 63 B20R2.21885 Cc1ccccc1C(OCC[NH2+]C)c2ccccc2 Amb20247556 [1,1,0,0,0,0|0,0,1]=3 64 B20R2.21885 ClNCCOC(c1ccccc1C)c2ccccc2 Amb17610984 [1,1,0,0,0,0|1,0,0]=3 65 B20R2.29400 CC(C)[C@@H](N)CP(c1ccccc1)c2ccccc2 Amb22044690 [0,1,0,0,1,0|2,0,0]=4 66 B20R2.29400 CC(C)[C@@H](N)CP(c1ccccc1)c2ccccc2 Amb22044794 [0,1,0,0,1,0|2,0,0]=4 67 B20R2.29400 CC(C)[C@H](N)CP(c1ccccc1)c2ccccc2 Amb22045035 [0,1,0,0,1,0|2,0,0]=4 68 B20R2.29400 CC(C)[C@H](N)CP(c1ccccc1)c2ccccc2 Amb22045124 [0,1,0,0,1,0|2,0,0]=4 69 B20R2.29400 CC(CC(c1ccccc1)c2ccccc2)N(C)C Amb22466963 [0,1,0,0,1,0|0,0,0]=2 70 B20R2.29400 CN(C)C(=N)NC(c1ccccc1)c2ccccc2 Amb22489394 [0,1,0,0,1,0|1,0,1]=4 71 B20R2.72040 CN(C)C\C=C(/c1cc(F)ccc1)\c2ccccc2 Amb24105349 [0,1,0,0,1,0|0,0,2]=4 72 B20R2.77823 CC(NCC(c1ccccc1)(c2ccccc2)O)C Amb2415091 [0,1,0,0,1,0|2,0,0]=4 73 B20R2.77823 CN(CCC(c1ccncc1)(c2ccccc2)O)C Amb2153378 [0,1,0,0,1,0|1,0,0]=3 74 B20R2.77823 CN(CCP(=O)(c1ccccc1)c2ccccc2)C Amb1145423 [0,1,0,0,1,0|1,0,0]=3 75 B20R2.174637 CC(C)C[C@@H](N)C(c1ccccc1)c2ccccc2 Amb22336223 [0,1,0,0,1,0|1,0,0]=3 76 B20R2.174637 CC(C)C[C@H](N)C(c1ccccc1)c2ccccc2 Amb22362008 [0,1,0,0,1,0|1,0,0]=3 77 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccc2 Amb22733611 [0,1,0,0,1,0|0,0,0]=2 78 B20R2.240825 CN(C)CCC(c1cccc[n]1)c2ccc(Br)cc2 Amb22167432 [0,1,0,0,1,0|1,0,0]=3 79 B20R2.240825 CN(C)CC[C@@H](c1cccc[nH+]1)c2ccc(Br)cc2 Amb22800260 [0,1,0,0,1,0|1,0,0]=3 80 B20R2.240825 CN(CCC(c1ccccn1)c2ccc(cc2)Cl)C Amb2099716 [0,1,0,0,1,0|1,0,0]=3 81 B20R2.240825 CN(CC[C@@H](c1ccccn1)c2ccc(cc2)Cl)C Amb10843669 [0,1,0,0,1,0|1,0,0]=3 82 B20R2.240825 Cc1ccc(cc1)C(CCN(C)C)c2ccccc2 Amb22732344 [0,1,0,0,1,0|0,0,0]=2 83 B20R2.2714554 CC(C)(N)COC(c1ccccc1)c2ccccc2 Amb18111913 [0,1,0,0,1,0|1,0,0]=3 84 B20R2.2714554 C[N+](C)(C)CCN(c1ccccc1)c2ccccc2 Amb24079848 [0,1,0,0,1,0|1,0,1]=4 85 B22R2.49735 C[N+](CCCOC(c1ccccc1)c2ccccc2)(C)C Amb2230648 [0,1,0,0,0,1|0,0,1]=3 86 B22R2.50919 CC(C)CCC(=O)OC(c1cccc[n]1)c2ccccc2 Amb20899097 [0,1,0,0,0,1|2,0,0]=4 87 B22R2.354554 CN(C)CC#CCC(O)(c1ccccc1)c2ccccc2 Amb21866364 [0,1,0,0,0,1|1,0,1]=4 88 B22R2.354554 CN(C)CC\C=C/C(O)(c1ccccc1)c2ccccc2 Amb23478782 [0,1,0,0,0,1|1,0,0]=3 89 B22R2.354554 CN(C)C\C=C/CC(O)(c1ccccc1)c2ccccc2 Amb23478779 [0,1,0,0,0,1|1,0,1]=4 90 B22R2.354554 CN(CC\C=C\C(c1ccccc1)(c2ccccc2)O)C Amb19145765 [0,1,0,0,0,1|1,0,0]=3 91 B22R2.357800 CC(NC(=O)COC(c1ccccc1)c2ccccc2)C Amb15855345 [0,1,0,0,0,1|1,0,1]=4 92 B22R2.357800 OC(CN(C)C)COC(c1ccccc1)c2ccccc2 Amb2375259 [0,1,0,0,0,1|0,0,0]=2 93 B22R2.359629 CN(CCNC(=O)C(c1ccccc1)c2ccccc2)C Amb1207652 [0,1,0,0,0,1|1,0,0]=3 94 B22R2.359629 CN(CCNC(=O)C(c1ccccn1)c2ccccc2)C Amb16885582 [0,1,0,0,0,1|2,0,0]=4 95 B22R2.359629 CN(CCOC(=O)C(c1ccccc1)c2ccccc2)C Amb1826140 [0,1,0,0,0,1|0,0,0]=2 96 B22R2.532051 CN(C)CCO\N=C(/c1ccc(Br)cc1)\c2cc[n]cc2 Amb22284299 [0,1,0,0,0,1|1,0,1]=4 97 B22R2.532051 CN(CCO\N=C(/c1ccc(cc1)Br)\c2ccncc2)C Amb10591708 [0,1,0,0,0,1|1,0,1]=4 98 B22R2.49736 C[N+](CCOC(c1ccccc1)Cc2ccccc2)(C)C Amb17609385 [0,1,0,0,0,1|0,0,1]=3 99 B22R2.359630 CN(C)CCSC(C(=O)c1ccccc1)c2ccccc2 Amb21988901 [0,1,0,0,0,1|0,1,0]=3 100 B22R2.15060 CCN(CC#CC(c1ccccc1)c2ccccc2)CC Amb21868685 [0,2,0,0,0,0|1,0,1]=4 101 B22R2.15060 CCN(CCCC(c1ccccc1)c2ccccc2)CC Amb22471300 [0,2,0,0,0,0|1,0,0]=3 102 B22R2.15060 CCN(CCOC(c1ccccc1)c2ccccc2)CC Amb21410083 [0,2,0,0,0,0|0,0,0]=2 103 B22R2.131333 CCN(C)C(=O)COC(c1ccccc1)c2ccccc2 Amb21797040 [0,2,0,0,0,0|0,0,1]=3 104 B22R2.284170 Cc1ccccc1C(c2ccccc2)OCC[N+](C)(C)C Amb10072423 [0,2,0,0,0,0|0,0,1]=3 105 B22R2.284170 Cc1ccccc1C(c2ccccc2)OCC[N+](C)(C)[O-] Amb17618919 [0,2,0,0,0,0|0,0,1]=3 106 B22R2.531953 C[N+](C)(C)CCOC(c1cccc[n]1)c2ccc(Cl)cc2 Amb24080702 [0,2,0,0,0,0|1,0,1]=4 107 B22R2.531953 Cc1ccc(cc1)C(c2ccccc2)OCC[N+](C)(C)C Amb2230646 [0,2,0,0,0,0|0,0,1]=3 108 B22R2.531953 Clc1ccc(cc1)C(c2ccccc2)OCC[N+](C)(C)C Amb2230653 [0,2,0,0,0,0|0,0,1]=3 109 B22R2.4040853 [O-][N+](CCOC(c1ccccn1)(c2ccccc2)C)(C)C Amb17613596 [0,2,0,0,0,0|1,0,1]=4 110 B22R2.8239985 CN(C)CCOC(c1ccccc1F)c2ccc(F)cc2 Amb24310344 [0,2,0,0,0,0|0,0,0]=2 111 B22R2.3903625 CN(C)CCOC(C)(c1ccc(Br)cc1)c2ccccc2 Amb22233546 [0,2,0,0,0,0|0,0,0]=2 112 B22R2.3903625 CN(CCOC(c1ccc(cc1)Br)(c2ccccc2)C)C Amb17613646 [0,2,0,0,0,0|0,0,0]=2 113 B22R2.7669 COc1ccc(cc1)C(c2ccccc2)OCCN(C)C Amb17616718 [0,2,0,0,0,0|0,0,0]=2 114 B20R3.250 CC1CCN1C(c2ccccc2)c3ccccc3 Amb20248643 [1,0,0,1,0,0|2,0,0]=4 115 B20R3.2741 C1CCN(C1)C(c2ccccc2)c3ccccc3 Amb10553202 [1,0,0,1,0,0|2,0,0]=4 116 B20R3.2741 C1NCCC1C(c2ccccc2)c3ccccc3 Amb23555784 [1,0,0,1,0,0|1,0,0]=3 117 B20R3.2028422 C1CCC(CN1)(c2ccccc2)c3ccccc3 Amb10068894 [1,0,0,1,0,0|1,0,0]=3 118 B20R3.2028422 C1NCCCC1(c2ccccc2)c3ccccc3 Amb22474151 [1,0,0,1,0,0|1,0,0]=3 119 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 Amb22170340 [0,0,0,1,1,0|2,0,0]=4 120 B20R3.135244 CC1(C)CNC(c2c1cccc2)c3ccccc3 Amb17106466 [0,0,0,1,1,0|2,0,0]=4 121 B22R3.1191 CN1CCN(CC1)C(c2ccccc2)c3ccccc3 Amb16192643 [0,1,0,1,0,0|1,0,0]=3 122 B22R3.1191 CN1CCN(CC1)C(c2ccccc2)c3ccccc3 Amb22396000 [0,1,0,1,0,0|1,0,0]=3 123 B22R3.1191 NN1CCN(CC1)C(c2ccccc2)c3ccccc3 Amb1107258 [0,1,0,1,0,0|2,0,0]=4 124 B22R3.771283 CN(C)C1CN(C1)C(c2ccccc2)c3ccccc3 Amb22756187 [0,1,0,1,0,0|1,0,0]=3 125 B22R3.310520 C[N+]1([O-])Cc2ccccc2C(OCC1)c3ccccc3 Amb22055910 [0,1,0,1,0,0|0,0,1]=3 126 B22R3.321621 CC1CC1C(=O)OC(c2ccccc2)c3ccccc3 Amb21618651 [0,1,0,1,0,0|1,0,1]=4 127 B22R3.41064905 CN(CC(Cn1c2ccccc2c3c1cccc3)O)C Amb2571426 [0,1,0,1,0,0|2,0,0]=4 128 B22R3.25163314 CN(CCC(n1c2ccccc2c3c1cccc3)C)C Amb10560284 [0,1,0,1,0,0|2,0,0]=4 129 B22R4.769570988 CN(C12C=CC(c3c1cccc3)c4c2cccc4)C Amb16200582 [0,0,0,2,0,0|1,0,1]=4 130 B18R2.7184 CC(OC(c1ccccc1)c2ccccc2)C Amb10555856 [0,0,0,0,2,0|1,0,0]=3 131 B18R2.7184 CN(C=C(c1ccccc1)c2ccccc2)C Amb10555365 [0,0,0,0,2,0|0,0,2]=4 132 B20R2.10559 CN(C)CCC(Nc1[n]ccc[n]1)c2ccccc2 Amb22237925 [0,0,0,0,1,1|2,0,0]=4 133 B20R2.10559 CN(CCN(c1ccccn1)Cc2ccccc2)C Amb10843720 [0,0,0,0,1,1|2,0,0]=4