0 B11R1.17 CCCOc1cccnc1N A2Z00069856 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.17 Cc1ccccc1OCC#N A2Z00093924 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 Cc1ccccc1OCCN A2Z00038376 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 c1ccc(c(c1)OCC#N)Cl A2Z00038567 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.4 CCOc1cccnc1N A2Z00069857 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.4 c1ccc(c(c1)CCN)F A2Z00097645 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 c1ccnc(c1)CCC#N A2Z00094742 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.69 CCCOc1ccc(cc1N)C A2Z00096812 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.121 CNCCc1ccccc1OC A2Z00045069 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.125 CC(=O)COc1ccccc1Br A2Z00094587 [0,1,0,0,0,0|2,1,0]=4 23 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [0,1,0,0,0,0|2,1,0]=4 24 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.267 Cc1ccccc1CCCCN A2Z00046200 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.267 c1ccc(c(c1)CCCCN)Cl A2Z00046207 [0,1,0,0,0,0|1,1,0]=3 27 B12R1.267 c1ccc(c(c1)CCCCN)Cl A2Z00095491 [0,1,0,0,0,0|1,1,0]=3 28 B12R1.267 c1ccc(c(c1)CCCCN)F A2Z00046202 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.308 CCCC(=O)c1ccccc1F A2Z00048886 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.308 CNCC(c1ccccc1Cl)O A2Z00046551 [0,1,0,0,0,0|0,1,0]=2 31 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.1631 c1cc(c(c(c1)Cl)CCCN)F A2Z00046196 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.1631 c1cc(c(c(c1)F)CCON)F A2Z00062408 [0,1,0,0,0,0|2,0,0]=3 35 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,0,0,1,0,0|3,0,0]=4 37 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.41 c1ccc2c(c1)OCCCO2 A2Z00083425 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.196 Cn1ccc2c1cccc2N A2Z00087603 [0,0,0,1,0,0|1,0,2]=4 41 B12R2.1081 c1cc2c(c(c1)N)NCCC2 A2Z00046541 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 c1cc2c(c(c1)O)CCCC2 A2Z00094829 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.8 CNCc1ccccc1 A2Z00093451 [2,0,0,0,0,0|0,0,0]=2 44 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [2,0,0,0,0,0|0,0,2]=4 45 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [2,0,0,0,0,0|0,0,2]=4 46 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.15 CCc1ccccc1O A2Z00093520 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.15 c1cc(c(nc1)CN)F A2Z00050387 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [2,0,0,0,0,0|0,1,0]=3 53 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [2,0,0,0,0,0|1,1,0]=4 54 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.41 COc1ccccc1CCO A2Z00095930 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.222 CCC(=O)c1ccccc1Br A2Z00049411 [1,1,0,0,0,0|0,1,1]=4 58 B11R1.222 CNC(=O)c1ccccc1N A2Z00046099 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.222 COC(=O)c1ccccc1F A2Z00096107 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.222 c1ccc(c(c1)C(=O)NN)F A2Z00014684 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.1 CCCCc1ccc(cc1)N A2Z00038653 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.1 Cc1ccc(cc1)CCCO A2Z00056898 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.1 c1cc(ccc1CCCCl)Br A2Z00048006 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.1 c1cc(ccc1CCCN)O A2Z00047983 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.16 CC(CCN)c1ccccc1 A2Z00046307 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.16 CNCC(c1ccncc1)O A2Z00048067 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.24 CCCOc1cccc(c1)N A2Z00056908 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.24 Cc1cccc(c1)CCC#N A2Z00048894 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.24 Cc1cccc(c1)CCCN A2Z00093999 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.24 c1cc(cc(c1)Cl)CCC#N A2Z00048896 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.24 c1cc(cc(c1)Cl)CCCN A2Z00046195 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.24 c1cc(cc(c1)O)CCCN A2Z00047984 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.28 CCNCCc1ccncc1 A2Z00061329 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 c1ccc(cc1)OCCCN A2Z00077141 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.28 c1cnccc1CCCCN A2Z00061546 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.84 COc1ccccc1CCCCN A2Z00046204 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.464 CNCC(c1ccccc1OC)O A2Z00046549 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.202 CC(Cc1ccccc1F)C(=O)O A2Z00046442 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.158 c1ccc(c(c1)CCCC(=O)O)F A2Z00094521 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.696 COC(=O)C(c1ccccc1F)Br A2Z00049795 [0,2,0,0,0,0|1,0,1]=4 86 B13R1.2872 COC(=O)Cc1cc(ccc1F)Br A2Z00096265 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.4928 COC(=O)Cc1c(cccc1Cl)F A2Z00094728 [0,2,0,0,0,0|1,0,1]=4 88 B13R2.26 c1ccc2c(c1)CC(O2)CCN A2Z00050317 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.342 CN1CCOc2c1cccc2N A2Z00049528 [0,1,0,1,0,0|1,0,0]=3 90 B13R2.342 c1cc2c(c(c1)O)CCCC2O A2Z00096116 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.12 CNCCc1c[nH]cn1 A2Z00049843 [1,0,0,0,1,0|2,0,0]=4 92 B9R1.12 CNCCc1cnc[nH]1 A2Z00049842 [1,0,0,0,1,0|2,0,0]=4