0 B15R2.31 Cc1cccc(c1)Nc2ccccc2 B25441 [1,0,0,0,0,0|3,0,0]=4 1 B15R2.31 Cc1cccc(c1)Oc2ccccc2 B21899 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N L19872 [1,0,0,0,0,0|2,0,0]=3 3 B15R2.31 c1ccc(cc1)Nc2cccc(c2)O L03678 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.31 c1ccc(cc1)Oc2cccc(c2)N A17495 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O A17865 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.38 c1ccc(cc1)Cc2ccccc2O B22246 [1,0,0,0,0,0|2,0,0]=3 7 B15R2.38 c1ccc(cc1)Nc2ccccc2N L11616 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.38 c1ccc(cc1)Oc2ccccc2N L05558 [1,0,0,0,0,0|2,0,0]=3 9 B15R2.332 c1cc(c(nc1)Cl)c2cc(cnc2)Br H26915 [0,0,0,0,1,0|2,1,0]=4 10 B15R2.332 c1cc(c(nc1)Cl)c2ccnc(c2)Cl H27520 [0,0,0,0,1,0|2,1,0]=4 11 B15R2.332 c1cc(nc(c1)Br)c2cccnc2Cl H27149 [0,0,0,0,1,0|2,1,0]=4 12 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F H56323 [0,0,0,0,0,1|3,0,0]=4 13 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F H56503 [0,0,0,0,0,1|2,0,0]=3 14 B17R2.41893 c1ccc(c(c1)CNc2cccc(c2)Br)F H56111 [0,0,0,0,0,1|2,1,0]=4 15 B17R2.41893 c1ccc(c(c1)CNc2cccc(c2)Cl)F H56539 [0,0,0,0,0,1|2,1,0]=4 16 B17R2.41893 c1ccc(c(c1)CNc2cccc(c2)F)F H56251 [0,0,0,0,0,1|2,0,0]=3 17 B17R2.41893 c1ccc(c(c1)NCc2cccc(c2)F)Br H56326 [0,0,0,0,0,1|2,0,0]=3 18 B17R2.41893 c1ccc(c(c1)NCc2cccc(c2)F)Cl H56318 [0,0,0,0,0,1|2,0,0]=3 19 B17R2.41893 c1ccc(c(c1)NCc2cccc(c2)F)F H56726 [0,0,0,0,0,1|2,0,0]=3 20 B17R2.41893 c1ccc(c(c1)NCc2cccc(c2)F)I H57098 [0,0,0,0,0,1|2,0,0]=3 21 B14R2.6 c1ccc(cc1)Cc2ccccc2 B21256 [2,0,0,0,0,0|1,0,0]=3 22 B14R2.6 c1ccc(cc1)Cc2ccccn2 A10662 [2,0,0,0,0,0|2,0,0]=4 23 B14R2.6 c1ccc(cc1)Cc2ccncc2 A14326 [2,0,0,0,0,0|2,0,0]=4 24 B14R2.6 c1ccc(cc1)Nc2ccccc2 36610 [2,0,0,0,0,0|2,0,0]=4 25 B14R2.6 c1ccc(cc1)Nc2ccccc2 A18265 [2,0,0,0,0,0|2,0,0]=4 26 B14R2.6 c1ccc(cc1)Oc2ccccc2 A15791 [2,0,0,0,0,0|2,0,0]=4 27 B14R2.6 c1ccc(cc1)Oc2ccccc2 H30347 [2,0,0,0,0,0|2,0,0]=4 28 B14R2.6 c1ccc(cc1)Pc2ccccc2 56169 [2,0,0,0,0,0|2,0,0]=4 29 B14R2.6 c1ccc(cc1)Pc2ccccc2 H37175 [2,0,0,0,0,0|2,0,0]=4 30 B14R2.6 c1ccc(cc1)Sc2ccccc2 A11114 [2,0,0,0,0,0|2,0,0]=4 31 B14R2.6 c1ccc(cc1)[Hg]c2ccccc2 37119 [2,0,0,0,0,0|2,0,0]=4 32 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 A15149 [2,0,0,0,0,0|2,0,0]=4 33 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 A17934 [2,0,0,0,0,0|2,0,0]=4 34 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 A19438 [2,0,0,0,0,0|2,0,0]=4 35 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 B21861 [2,0,0,0,0,0|2,0,0]=4 36 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 L17444 [2,0,0,0,0,0|2,0,0]=4 37 B14R2.6 c1ccc(cc1)[Pt]c2ccccc2 44039 [2,0,0,0,0,0|2,0,0]=4 38 B14R2.6 c1ccc(cc1)[Se]c2ccccc2 A18364 [2,0,0,0,0,0|2,0,0]=4 39 B14R2.6 c1ccc(cc1)[SiH2]c2ccccc2 A10884 [2,0,0,0,0,0|1,1,0]=4 40 B14R2.6 c1ccc(cc1)[Sn+2]c2ccccc2 39614 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.6 c1ccc(cc1)[Sn+2]c2ccccc2 39615 [2,0,0,0,0,0|2,0,0]=4 42 B14R2.6 c1ccc(cc1)[Sn+2]c2ccccc2 71139 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 87908 [2,0,0,0,0,0|2,0,0]=4 44 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)F H31696 [1,1,0,0,0,0|1,0,1]=4 45 B16R2.251 c1cc(cc(c1)N)Cc2cccc(c2)N L09344 [1,1,0,0,0,0|2,0,0]=4 46 B16R2.317 c1ccc(cc1)Cc2cc(ccc2O)Cl B20112 [1,1,0,0,0,0|1,1,0]=4 47 B16R2.312 c1ccc(cc1)Nc2ccc(cc2N)N B20735 [1,1,0,0,0,0|2,0,0]=4 48 B16R2.312 c1ccc(cc1)Oc2ccc(cc2N)Cl H59632 [1,1,0,0,0,0|2,0,0]=4 49 B16R2.3896 Cc1ccccc1C(c2ccccc2)O B23021 [1,1,0,0,0,0|2,0,0]=4 50 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2N A12580 [1,1,0,0,0,0|1,0,1]=4 51 B16R2.4062 c1ccc(c(c1)N)Oc2ccccc2N H55396 [1,1,0,0,0,0|2,0,0]=4 52 B18R2.444 CCc1ccccc1NCc2cccc(c2)F H56581 [0,1,0,0,0,1|2,0,0]=4 53 B18R2.444 COc1ccccc1NCc2cccc(c2)F H56031 [0,1,0,0,0,1|2,0,0]=4 54 B18R2.39765 Cc1ccc(cc1F)NCc2ccccc2F H57371 [0,1,0,0,0,1|2,0,0]=4 55 B18R2.39765 c1ccc(c(c1)CNc2ccc(c(c2)F)Br)F H57720 [0,1,0,0,0,1|2,0,0]=4 56 B18R2.39765 c1ccc(c(c1)CNc2ccc(c(c2)F)F)F H56295 [0,1,0,0,0,1|2,0,0]=4 57 B18R2.65901 Cc1cc(ccc1NCc2cccc(c2)F)Br H57669 [0,1,0,0,0,1|2,0,0]=4 58 B18R2.65901 Cc1cc(ccc1NCc2cccc(c2)F)Cl H56235 [0,1,0,0,0,1|2,0,0]=4 59 B18R2.65901 Cc1cc(ccc1NCc2cccc(c2)F)F H57039 [0,1,0,0,0,1|2,0,0]=4 60 B18R2.65901 Cc1ccc(c(c1)Br)NCc2cccc(c2)F H57207 [0,1,0,0,0,1|2,0,0]=4 61 B18R2.65901 Cc1ccc(c(c1)C)NCc2cccc(c2)F H56193 [0,1,0,0,0,1|2,0,0]=4 62 B18R2.65901 Cc1ccc(c(c1)F)NCc2cccc(c2)F H57738 [0,1,0,0,0,1|2,0,0]=4 63 B18R2.65901 c1cc(cc(c1)F)CNc2ccc(cc2Br)F H57292 [0,1,0,0,0,1|2,0,0]=4 64 B18R2.65901 c1cc(cc(c1)F)CNc2ccc(cc2Cl)Cl H57748 [0,1,0,0,0,1|2,0,0]=4 65 B18R2.65901 c1cc(cc(c1)F)CNc2ccc(cc2F)Br H57203 [0,1,0,0,0,1|2,0,0]=4 66 B18R2.65901 c1cc(cc(c1)F)CNc2ccc(cc2F)Cl H57731 [0,1,0,0,0,1|2,0,0]=4 67 B18R2.65901 c1cc(cc(c1)F)CNc2ccc(cc2F)F H56356 [0,1,0,0,0,1|2,0,0]=4 68 B18R2.65903 Cc1ccc(c(c1)NCc2cccc(c2)F)C H56953 [0,1,0,0,0,1|2,0,0]=4 69 B18R2.65903 Cc1ccc(c(c1)NCc2cccc(c2)F)F H57520 [0,1,0,0,0,1|2,0,0]=4 70 B18R2.65903 Cc1ccc(cc1NCc2cccc(c2)F)Cl H57934 [0,1,0,0,0,1|2,0,0]=4 71 B18R2.65903 Cc1ccc(cc1NCc2cccc(c2)F)F H57171 [0,1,0,0,0,1|2,0,0]=4 72 B18R2.65903 c1cc(cc(c1)F)CNc2cc(ccc2Cl)Cl H57211 [0,1,0,0,0,1|2,0,0]=4 73 B18R2.65903 c1cc(cc(c1)F)CNc2cc(ccc2F)F H57032 [0,1,0,0,0,1|2,0,0]=4 74 B18R2.65910 Cc1c(cccc1Cl)NCc2cccc(c2)F H57955 [0,1,0,0,0,1|2,0,0]=4 75 B18R2.65910 Cc1c(cccc1F)NCc2cccc(c2)F H57957 [0,1,0,0,0,1|2,0,0]=4 76 B18R2.65910 Cc1cccc(c1C)NCc2cccc(c2)F H56691 [0,1,0,0,0,1|2,0,0]=4 77 B18R2.65910 Cc1cccc(c1F)NCc2cccc(c2)F H57346 [0,1,0,0,0,1|2,0,0]=4 78 B18R2.65910 c1cc(cc(c1)F)CNc2cccc(c2Cl)Cl H57462 [0,1,0,0,0,1|2,0,0]=4 79 B18R2.67002 Cc1ccc(cc1NCc2ccccc2F)F H57754 [0,1,0,0,0,1|2,0,0]=4 80 B18R2.67002 c1ccc(c(c1)CNc2cc(ccc2F)F)F H57147 [0,1,0,0,0,1|2,0,0]=4 81 B18R2.284623 Cc1cc(cc(c1)F)NCc2ccccc2F H57570 [0,1,0,0,0,1|2,0,0]=4 82 B18R2.284623 c1ccc(c(c1)CNc2cc(cc(c2)F)F)F H56955 [0,1,0,0,0,1|2,0,0]=4 83 B18R2.524233 c1cc(cc(c1)F)CNc2c(cccc2F)F H57261 [0,1,0,0,0,1|2,0,0]=4 84 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)Br L07589 [1,0,0,1,0,0|1,1,0]=4 85 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)N B22769 [1,0,0,1,0,0|2,0,0]=4 86 B16R3.1720 c1ccc2c(c1)Nc3ccccc3O2 L01969 [1,0,0,1,0,0|2,0,0]=4 87 B16R3.1720 c1ccc2c(c1)Nc3ccccc3S2 A12517 [1,0,0,1,0,0|2,0,0]=4 88 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)Br H64437 [0,0,0,1,1,0|1,1,0]=4 89 B18R3.31677 c1ccc2c(c1)[nH]c(n2)c3cccc(c3)F H64628 [0,0,0,1,0,1|1,0,1]=4 90 B14R2.21 Cc1cccc(c1)c2ccccc2 L01006 [1,0,0,0,1,0|2,0,0]=4 91 B14R2.21 c1ccc(cc1)c2cccc(c2)Br B21726 [1,0,0,0,1,0|1,1,0]=4 92 B14R2.21 c1ccc(cc1)c2cccc(c2)N H51027 [1,0,0,0,1,0|2,0,0]=4 93 B14R2.24 Cc1ccccc1c2ccccc2 L01312 [1,0,0,0,1,0|2,0,0]=4 94 B14R2.24 c1ccc(cc1)c2ccccc2Br B21840 [1,0,0,0,1,0|2,0,0]=4 95 B14R2.24 c1ccc(cc1)c2ccccc2F A12227 [1,0,0,0,1,0|2,0,0]=4 96 B14R2.24 c1ccc(cc1)c2ccccc2I L06990 [1,0,0,0,1,0|2,0,0]=4 97 B14R2.24 c1ccc(cc1)c2ccccc2N L05728 [1,0,0,0,1,0|1,0,0]=3 98 B14R2.24 c1ccc(cc1)c2ccccc2O A10592 [1,0,0,0,1,0|2,0,0]=4 99 B16R2.71 c1ccc(cc1)COc2c(nccn2)N H63162 [1,0,0,0,0,1|1,0,0]=3 100 B16R2.71 c1ccc(cc1)COc2ccccc2N H27065 [1,0,0,0,0,1|1,0,0]=3 101 B16R2.71 c1ccc(cc1)COc2ccccc2O A19020 [1,0,0,0,0,1|2,0,0]=4 102 B16R2.71 c1ccc(cc1)COc2cccnc2N A12603 [1,0,0,0,0,1|0,0,0]=2 103 B16R2.71 c1ccc(cc1)NCc2ccccc2F H56725 [1,0,0,0,0,1|2,0,0]=4 104 B18R2.65882 Cc1ccccc1CNCc2cccc(c2)F H57902 [0,0,0,0,0,2|2,0,0]=4 105 B18R2.65882 c1ccc(c(c1)CNCc2cccc(c2)F)F H56683 [0,0,0,0,0,2|2,0,0]=4