0 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,0,0,0,0,0|3,1,0]=4 1 B12R1.125 CC(C)NCc1ccccc1F H56639 [0,0,0,0,0,0|2,1,0]=3 2 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,0,0,0,0,0|3,1,0]=4 4 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,0,0,0,0,0|3,1,0]=4 6 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.17 CCNCc1ccccc1F H56127 [1,0,0,0,0,0|2,1,0]=4 10 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.17 c1ccc(c(c1)CN=C=S)Cl L10546 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.17 c1ccc(c(c1)OCC#N)Cl A11346 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.17 c1ccc(c(c1)OCCN)Cl H50704 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.17 c1ccc(c(c1)OCCO)Cl L04368 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 B(CCc1ccccc1)(O)O H52502 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 CC(=N)SCc1ccccc1 H51844 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.91 CC(=O)CCc1ccccc1 B22777 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.91 CC(C)NCc1ccccc1 B23243 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 CC(CCc1ccccc1)N A18804 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 CC(CCc1ccccc1)O L05970 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.91 CC(COc1ccccc1)O L04596 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.157 CC(C)(C)NCc1ccccc1F H56346 [0,1,0,0,0,0|2,1,0]=4 29 B13R1.164 c1cc(c(cc1Cl)Cl)CCC(=O)O H27745 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.201 CC(C)NC(=O)c1ccccc1Cl H56140 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl L19796 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl H27135 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl H27359 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.528 COC(=O)CCc1ccccc1Br H61342 [0,1,0,0,0,0|2,1,0]=4 35 B13R1.528 COC(=O)CCc1ccccc1O A12219 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.3787 c1cc(c(c(c1)Cl)CCC(=O)O)Cl H33210 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.3787 c1cc(c(c(c1)Cl)CCC(=O)O)F H33586 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.222 CC1(CNc2ccccc2O1)C H61058 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.222 CC1(CNc2ccccc2S1)C H61057 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.3587 c1ccc(c(c1)CNC2CC2)F H56182 [0,0,0,1,0,0|2,1,0]=4 41 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,0,0,0,1,0|2,0,0]=3 42 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,0,0,0,1,0|2,1,0]=4 43 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.86 CC(C)Oc1ccccc1Br B25688 [0,0,0,0,1,0|2,1,0]=4 45 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.86 CC(Cc1ccccc1F)N H50999 [0,0,0,0,1,0|2,1,0]=4 47 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,0,0,0,1,0|3,0,0]=4 49 B13R1.158 CC(C)CNCc1ccccc1F H56201 [0,0,0,0,0,1|1,1,0]=3 50 B10R1.4 CCCc1ccccc1O A11088 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.4 CCNc1ccccc1C A11315 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.4 CCOc1ccccc1O B24755 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.4 CNCc1ccccc1Br H63390 [2,0,0,0,0,0|0,1,0]=3 54 B10R1.4 CNCc1ccccc1Cl H54680 [2,0,0,0,0,0|0,0,0]=2 55 B10R1.4 CNCc1ccccc1F H54439 [2,0,0,0,0,0|0,1,0]=3 56 B10R1.4 Cc1ccccc1CCN H28320 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.4 Cc1ccccc1CNC H63956 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [2,0,0,0,0,0|0,0,2]=4 59 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [2,0,0,0,0,0|0,1,0]=3 60 B10R1.4 c1ccc(c(c1)CCO)F L19998 [2,0,0,0,0,0|1,1,0]=4 61 B10R1.17 C#CCCc1ccccc1 L12946 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 CCCC[n+]1ccccc1 19740 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 CCCC[n+]1ccccc1 H26995 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 CNCCc1ccccn1 H50190 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.17 c1ccc(cc1)CCC#N L06483 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.17 c1ccc(cc1)CCC=O A10367 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.17 c1ccc(cc1)CCCBr A14050 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 c1ccc(cc1)CCCCl B20445 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 c1ccc(cc1)CCCI H53420 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 c1ccc(cc1)CCCN L03023 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 c1ccc(cc1)CCCO A13022 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.267 CCCNCc1ccccc1F H56513 [1,1,0,0,0,0|1,1,0]=4 76 B12R1.267 c1ccc(c(c1)CSCCN)Cl H33983 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.21 CC(C)NCc1ccc(cc1)F H56659 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.27 COC(=O)CCc1ccccc1 L05310 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.226 CC(C)NCc1cccc(c1)F H56383 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.891 CC(C)(C)NCc1ccccc1 L01146 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.124 CN(C)C(=O)c1ccccc1Cl H59948 [0,1,0,0,1,0|0,0,1]=3 86 B12R1.124 CN(C)C(=O)c1ccccc1F H59416 [0,1,0,0,1,0|0,1,1]=4 87 B12R1.124 CN(C)C(=O)c1cccnc1Cl H57162 [0,1,0,0,1,0|1,0,1]=4 88 B12R1.127 CN(C)Cc1cc(ccc1O)F H31820 [0,1,0,0,1,0|1,0,0]=3 89 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl H56696 [0,1,0,0,0,1|1,0,1]=4 90 B12R1.54 CN(C)CCC(=O)c1cccs1 H52377 [0,0,1,1,0,0|2,0,0]=4 91 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.92 CC1(CC1c2ccccc2)C B21271 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,0,0,0,1,0|1,0,1]=4 94 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,0,0,0,1,0|2,0,0]=4 95 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,0,0,0,1,0|2,0,0]=4 97 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,0,0,0,1,0|0,0,0]=2 99 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,0,0,0,1,0|1,0,0]=3 100 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,0,0,0,2,0|2,0,0]=4 101 B10R1.61 CC(C)c1ccccc1Br L00941 [0,0,0,0,2,0|1,1,0]=4 102 B10R1.61 CC(C)c1ccccc1I L01533 [0,0,0,0,2,0|1,1,0]=4 103 B10R1.61 CC(C)c1ccccc1N A14671 [0,0,0,0,2,0|2,0,0]=4 104 B10R1.61 CC(C)c1ccccc1O A12027 [0,0,0,0,2,0|2,0,0]=4 105 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,0,0,0,2,0|2,0,0]=4 106 B10R1.61 CN(C)c1ccccc1Br B25564 [0,0,0,0,2,0|0,1,0]=3 107 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,0,0,0,2,0|2,0,0]=4 108 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,0,0,0,2,0|2,0,0]=4