0 B14R2.20 Brc1ccc(cc1)c2nc(cs2)Br 271570a_100010235827_200016082925 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.20 Cc1c[nH]c(n1)c2ccc(cc2)Br 271570a_100010235827_100161115468 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.20 Cc1ccc(cc1)c2csc(n2)N 271570a_100000708704_100011998049 [0,0,0,0,0,0|1,1,2]=4 3 B14R2.20 Cc1ccc(cc1)c2n[nH]c(n2)N 271570a_100000708704_100015184587 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 Cc1ccc(cc1)c2nc(cs2)N 271570a_100000708704_200015188442 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.20 Cc1ccc(cc1)c2noc(n2)C 270196a_100000184614_100000070787 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.20 Cc1ccc(cc1)c2noc(n2)C 271570a_100000708704_100012003639 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.20 Cc1ccc(cc1)c2noc(n2)O 270196a_100000184614_100015183105 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.20 Cc1csc(n1)c2ccc(cc2)Br 271570a_100010235827_100011291629 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.20 Cc1nc(c[nH]1)c2ccc(cc2)Br 271570a_100010235827_100009814057 [0,0,0,0,0,0|2,0,2]=4 10 B14R2.20 Cc1nc(cs1)c2ccc(cc2)Br 271570a_100010235827_100011934587 [0,0,0,0,0,0|1,1,2]=4 11 B14R2.20 Cc1nc(n[nH]1)c2ccc(cc2)Br 271570a_100010235827_100000732540 [0,0,0,0,0,0|3,0,1]=4 12 B14R2.20 Cc1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100000070787 [0,0,0,0,0,0|2,0,1]=3 13 B14R2.20 Cc1nc(no1)c2ccc(cc2)Br 271570a_100010235827_100012003639 [0,0,0,0,0,0|2,0,1]=3 14 B14R2.20 Cc1nc(no1)c2ccc(cc2)Cl 270196a_100000184291_100000070787 [0,0,0,0,0,0|2,1,1]=4 15 B14R2.20 Cc1nc(no1)c2ccc(cc2)Cl 271570a_100011213355_100012003639 [0,0,0,0,0,0|2,1,1]=4 16 B14R2.20 Cc1nc(no1)c2ccc(cc2)F 270196a_100000180203_100000070787 [0,0,0,0,0,0|2,1,1]=4 17 B14R2.20 Cc1nc(no1)c2ccc(cc2)F 271570a_100011934326_100012003639 [0,0,0,0,0,0|2,1,1]=4 18 B14R2.20 Cc1nc(no1)c2ccc(cc2)I 270196a_100000188568_100000070787 [0,0,0,0,0,0|2,1,1]=4 19 B14R2.20 Cc1nc(no1)c2ccc(cc2)I 271570a_100000033156_100012003639 [0,0,0,0,0,0|2,1,1]=4 20 B14R2.20 Cc1nc(no1)c2ccc(cc2)N 271570a_100015188457_100012003639 [0,0,0,0,0,0|3,0,1]=4 21 B14R2.20 Cc1nc(no1)c2ccc(cc2)O 270196a_100000210344_100000070787 [0,0,0,0,0,0|3,0,1]=4 22 B14R2.20 Cc1nc(no1)c2ccc(cc2)O 271570a_100015205159_100012003639 [0,0,0,0,0,0|3,0,1]=4 23 B14R2.20 Cc1nc(no1)c2ccc(cc2)O 271570a_203496583355_200000756730 [0,0,0,0,0,0|3,0,1]=4 24 B14R2.20 Cc1nc(no1)c2ccc(cn2)Br 270196a_100000760455_100000070787 [0,0,0,0,0,0|3,0,1]=4 25 B14R2.20 Cc1nc(no1)c2ccc(nc2)Br 270196a_100011291634_100000070787 [0,0,0,0,0,0|3,0,1]=4 26 B14R2.20 Cc1noc(n1)c2ccc(cc2)Br 270196a_100000212224_100000185839 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.20 Cc1nsc(n1)c2ccc(cc2)Br 271570a_100010235827_100000709739 [0,0,0,0,0,0|3,0,1]=4 28 B14R2.20 Nc1cc(n[nH]1)c2ccc(cc2)Br 271570a_100010235827_100009822546 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.20 Nc1cc(no1)c2ccc(cc2)O 271570a_203496583355_100000238412 [0,0,0,0,0,0|3,0,1]=4 30 B14R2.20 Nc1ccc(cc1)c2csc(n2)N 271570a_100015188457_100011998049 [0,0,0,0,0,0|1,1,2]=4 31 B14R2.20 Nc1ccc(cc1)c2n[nH]c(n2)N 271570a_100015188457_100015184587 [0,0,0,0,0,0|3,0,1]=4 32 B14R2.20 Nc1ccc(cc1)c2nc(cs2)N 271570a_100015188457_200015188442 [0,0,0,0,0,0|3,0,1]=4 33 B14R2.20 Nc1csc(n1)c2ccc(cc2)Br 271570a_100010235827_200015188442 [0,0,0,0,0,0|2,0,1]=3 34 B14R2.20 Nc1csc(n1)c2ccc(cc2)Cl 271570a_100011213355_200015188442 [0,0,0,0,0,0|2,1,1]=4 35 B14R2.20 Nc1csc(n1)c2ccc(cc2)F 271570a_100011934326_200015188442 [0,0,0,0,0,0|2,1,1]=4 36 B14R2.20 Nc1csc(n1)c2ccc(cc2)I 271570a_100000033156_200015188442 [0,0,0,0,0,0|2,1,1]=4 37 B14R2.20 Nc1csc(n1)c2ccc(cc2)O 271570a_100015205159_200015188442 [0,0,0,0,0,0|3,0,1]=4 38 B14R2.20 Nc1nc(cs1)c2ccc(cc2)Br 271570a_100010235827_100011998049 [0,0,0,0,0,0|0,1,2]=3 39 B14R2.20 Nc1nc(cs1)c2ccc(cc2)Cl 271570a_100011213355_100011998049 [0,0,0,0,0,0|0,2,2]=4 40 B14R2.20 Nc1nc(cs1)c2ccc(cc2)F 271570a_100011934326_100011998049 [0,0,0,0,0,0|0,2,2]=4 41 B14R2.20 Nc1nc(cs1)c2ccc(cc2)I 271570a_100000033156_100011998049 [0,0,0,0,0,0|0,2,2]=4 42 B14R2.20 Nc1nc(cs1)c2ccc(cc2)O 271570a_100015205159_100011998049 [0,0,0,0,0,0|1,1,2]=4 43 B14R2.20 Nc1nc(cs1)c2ccc(cc2)O 271570a_203496583355_100000176804 [0,0,0,0,0,0|1,1,2]=4 44 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)Br 271570a_100010235827_100015184587 [0,0,0,0,0,0|2,0,1]=3 45 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)Cl 271570a_100011213355_100015184587 [0,0,0,0,0,0|2,1,1]=4 46 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)F 271570a_100011934326_100015184587 [0,0,0,0,0,0|2,1,1]=4 47 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)I 271570a_100000033156_100015184587 [0,0,0,0,0,0|2,1,1]=4 48 B14R2.20 Nc1nc(n[nH]1)c2ccc(cc2)O 271570a_100015205159_100015184587 [0,0,0,0,0,0|3,0,1]=4 49 B14R2.20 Nc1nnc(s1)c2ccc(cc2)Br 271570a_100010235827_100000738278 [0,0,0,0,0,0|3,0,1]=4 50 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Br 271570a_100010737933_100000752885 [0,0,0,0,0,0|3,0,1]=4 51 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,0,0,0,0,0|3,0,1]=4 52 B14R2.20 Oc1ccc(cc1)c2noc(n2)O 270196a_100000210344_100015183105 [0,0,0,0,0,0|3,0,1]=4 53 B14R2.20 Oc1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100015183105 [0,0,0,0,0,0|2,0,1]=3 54 B14R2.20 Oc1nc(no1)c2ccc(cc2)Cl 270196a_100000184291_100015183105 [0,0,0,0,0,0|2,1,1]=4 55 B14R2.20 Oc1nc(no1)c2ccc(cc2)F 270196a_100000180203_100015183105 [0,0,0,0,0,0|2,1,1]=4 56 B14R2.20 Oc1nc(no1)c2ccc(cc2)I 270196a_100000188568_100015183105 [0,0,0,0,0,0|2,1,1]=4 57 B14R2.20 Oc1nc(no1)c2ccc(cn2)Br 270196a_100000760455_100015183105 [0,0,0,0,0,0|3,0,1]=4 58 B14R2.20 Oc1nc(no1)c2ccc(nc2)Br 270196a_100011291634_100015183105 [0,0,0,0,0,0|3,0,1]=4 59 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [1,0,0,0,0,0|2,0,1]=4 61 B13R2.10 Nc1csc(n1)c2ccccc2 271570a_100011218836_200015188442 [1,0,0,0,0,0|2,0,1]=4 62 B13R2.10 Nc1nc(cs1)c2ccccc2 271570a_100011218836_100011998049 [1,0,0,0,0,0|0,1,2]=4 63 B13R2.10 Nc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100015184587 [1,0,0,0,0,0|2,0,1]=4 64 B13R2.10 Oc1nc(no1)c2ccccc2 270196a_100000210280_100015183105 [1,0,0,0,0,0|2,0,1]=4 65 B13R2.12 Brc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000752885 [1,0,0,0,0,0|1,0,2]=4 66 B13R2.12 Brc1ccc(cc1)c2c[nH]cn2 271570a_100010235827_100000756875 [1,0,0,0,0,0|1,0,2]=4 67 B13R2.12 Brc1ccc(cc1)c2ccoc2 271570a_100010235827_100011215275 [1,0,0,0,0,0|1,0,2]=4 68 B13R2.12 Brc1ccc(cc1)c2ccoc2 271570a_100011218838_100000752885 [1,0,0,0,0,0|1,0,2]=4 69 B13R2.12 Brc1ccc(cc1)c2cscn2 271570a_100010235827_100000751502 [1,0,0,0,0,0|0,1,2]=4 70 B13R2.12 Brc1ccc(cc1)c2nc[nH]n2 271570a_100010235827_100000761765 [1,0,0,0,0,0|2,0,1]=4 71 B13R2.12 Brc1ccc(cc1)c2ncc[nH]2 271570a_100010235827_100025796157 [1,0,0,0,0,0|2,0,1]=4 72 B13R2.12 Brc1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000752885 [1,0,0,0,0,0|2,0,1]=4 73 B13R2.12 Brc1ccc(cc1)c2ncco2 271570a_100010235827_100011787736 [1,0,0,0,0,0|2,0,1]=4 74 B13R2.12 Brc1ccc(cc1)c2nccs2 271570a_100010235827_100000211983 [1,0,0,0,0,0|2,0,1]=4 75 B13R2.12 Brc1ccc(cc1)c2ncns2 271570a_100010235827_100000693119 [1,0,0,0,0,0|2,0,1]=4 76 B13R2.12 Oc1ccc(cc1)c2ncon2 271570a_203496583355_100000756724 [1,0,0,0,0,0|2,0,1]=4 77 B15R2.2 Cc1nc(no1)c2ccc(cc2)CBr 271570a_100000695873_100012003639 [0,1,0,0,0,0|2,0,1]=4 78 B15R2.2 Nc1csc(n1)c2ccc(cc2)CBr 271570a_100000695873_200015188442 [0,1,0,0,0,0|2,0,1]=4 79 B15R2.2 Nc1nc(cs1)c2ccc(cc2)CBr 271570a_100000695873_100011998049 [0,1,0,0,0,0|0,1,2]=4 80 B15R2.2 Nc1nc(n[nH]1)c2ccc(cc2)CBr 271570a_100000695873_100015184587 [0,1,0,0,0,0|2,0,1]=4 81 B15R2.275 CCc1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100000210414 [0,1,0,0,0,0|2,0,1]=4 82 B15R2.275 CCc1nc(no1)c2ccc(cc2)Br 271570a_100010235827_100012003642 [0,1,0,0,0,0|2,0,1]=4 83 B15R2.275 OCc1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100000210174 [0,1,0,0,0,0|2,0,1]=4 84 B15R2.299 Cc1cc(ccc1Br)c2noc(n2)O 270196a_100000212329_100015183105 [0,1,0,0,0,0|2,0,1]=4 85 B15R2.299 Cc1nc(no1)c2ccc(c(c2)C)Br 270196a_100000212329_100000070787 [0,1,0,0,0,0|2,0,1]=4 86 B15R2.299 Cc1nc(no1)c2ccc(c(c2)O)Br 270196a_100009877741_100000070787 [0,1,0,0,0,0|2,0,1]=4 87 B15R2.299 Oc1nc(no1)c2ccc(c(c2)O)Br 270196a_100009877741_100015183105 [0,1,0,0,0,0|2,0,1]=4 88 B15R2.307 Cn1cc(nc1N)c2ccc(cc2)Br 271570a_100010235827_100025756272 [0,1,0,0,0,0|1,0,2]=4 89 B15R2.307 Cn1nc(nc1N)c2ccc(cc2)Br 271570a_100010235827_200010296169 [0,1,0,0,0,0|2,0,1]=4 90 B15R2.309 Cc1sc(nc1c2ccc(cc2)Br)N 271570a_100010235827_100009817509 [0,1,0,0,0,0|0,1,2]=4 91 B15R2.1153 Cc1cc(ccc1c2noc(n2)O)Br 270196a_100000687762_100015183105 [0,1,0,0,0,0|2,0,1]=4 92 B15R2.1153 Cc1nc(no1)c2ccc(cc2Br)Br 270196a_100012351557_100000070787 [0,1,0,0,0,0|2,0,1]=4 93 B15R2.1153 Cc1nc(no1)c2ccc(cc2C)Br 270196a_100000687762_100000070787 [0,1,0,0,0,0|2,0,1]=4 94 B15R2.1153 Cc1nc(no1)c2ccc(cc2Cl)Br 270196a_100011216378_100000070787 [0,1,0,0,0,0|2,0,1]=4 95 B15R2.1153 Cc1nc(no1)c2ccc(cc2F)Br 270196a_100000188603_100000070787 [0,1,0,0,0,0|2,0,1]=4 96 B15R2.1153 Cc1nc(no1)c2ccc(cc2I)Br 270196a_100010214477_100000070787 [0,1,0,0,0,0|2,0,1]=4 97 B15R2.1153 Cc1nc(no1)c2ccc(cc2O)Br 270196a_100011934713_100000070787 [0,1,0,0,0,0|2,0,1]=4 98 B15R2.1153 Oc1nc(no1)c2ccc(cc2Br)Br 270196a_100012351557_100015183105 [0,1,0,0,0,0|2,0,1]=4 99 B15R2.1153 Oc1nc(no1)c2ccc(cc2Cl)Br 270196a_100011216378_100015183105 [0,1,0,0,0,0|2,0,1]=4 100 B15R2.1153 Oc1nc(no1)c2ccc(cc2F)Br 270196a_100000188603_100015183105 [0,1,0,0,0,0|2,0,1]=4 101 B15R2.1153 Oc1nc(no1)c2ccc(cc2I)Br 270196a_100010214477_100015183105 [0,1,0,0,0,0|2,0,1]=4 102 B15R2.1153 Oc1nc(no1)c2ccc(cc2O)Br 270196a_100011934713_100015183105 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.1 CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210202 [0,0,1,0,0,0|1,0,2]=4 104 B13R1.1 CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,0,1,0,0,0|1,0,2]=4 105 B13R1.1 OCC(NCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,0,1,0,0,0|1,0,2]=4 106 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,0,1,0,0,0|3,0,0]=4 107 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,0,1,0,0,0|3,0,0]=4 108 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210414 [0,0,1,0,0,0|2,0,1]=4 109 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210414 [0,0,1,0,0,0|2,0,1]=4 110 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210414 [0,0,1,0,0,0|2,0,1]=4 111 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210414 [0,0,1,0,0,0|2,0,1]=4 112 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,0,1,0,0,0|3,0,0]=4 113 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,0,1,0,0,0|3,0,0]=4 114 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,0,1,0,0,0|3,0,0]=4 115 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,0,1,0,0,0|3,0,0]=4 116 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_106832991635 [0,0,1,0,0,0|2,0,1]=4 117 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100102657272_100000174875 [0,0,1,0,0,0|2,0,1]=4 118 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100102657272 [0,0,1,0,0,0|2,0,1]=4 119 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100102657272_100000174875 [0,0,1,0,0,0|2,0,1]=4 120 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100102657272 [0,0,1,0,0,0|2,0,1]=4 121 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_106832991638_100000174875 [0,0,1,0,0,0|2,0,1]=4 122 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,0,1,0,0,0|3,0,0]=4 123 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,0,1,0,0,0|3,0,0]=4 124 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,0,1,0,0,0|3,0,0]=4 125 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,0,1,0,0,0|3,0,0]=4 126 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,0,1,0,0,0|3,0,0]=4 127 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,0,1,0,0,0|3,0,0]=4 128 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,0,1,0,0,0|3,0,0]=4 129 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100000189115_100009879195 [0,0,1,0,0,0|2,0,1]=4 130 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100009879195_100000189115 [0,0,1,0,0,0|2,0,1]=4 131 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,0,1,0,0,0|1,0,2]=4 132 B13R1.17 NC(COCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,0,1,0,0,0|1,0,2]=4 133 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,0,1,0,0,0|1,0,2]=4 134 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,0,1,0,0,0|1,0,2]=4 135 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,0,1,0,0,0|1,0,2]=4 136 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,0,1,0,0,0|1,0,2]=4 137 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [0,0,1,0,0,0|2,0,1]=4 138 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [0,0,1,0,0,0|2,0,1]=4 139 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [0,0,1,0,0,0|2,0,1]=4 140 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,0,1,0,0,0|3,0,0]=4 141 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,0,1,0,0,0|3,0,0]=4 142 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,0,1,0,0,0|3,0,0]=4 143 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,0,1,0,0,0|3,0,0]=4 144 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,0,1,0,0,0|3,0,0]=4 145 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,0,1,0,0,0|3,0,0]=4 146 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,0,1,0,0,0|3,0,0]=4 147 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,0,1,0,0,0|3,0,0]=4 148 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,0,1,0,0,0|3,0,0]=4 149 B13R1.513 CC(=O)OCNc1ccc(cc1)Br 34a_100000210018_100009813279 [0,0,1,0,0,0|3,0,0]=4 150 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [0,0,1,0,0,0|3,0,0]=4 151 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000076356_100000752885 [0,0,1,0,0,0|3,0,0]=4 152 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000076356 [0,0,1,0,0,0|3,0,0]=4 153 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000212225_100011740612 [0,0,1,0,0,0|2,0,1]=4 154 B13R1.513 CC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000210206 [0,0,1,0,0,0|2,0,1]=4 155 B13R1.513 CC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000210206 [0,0,1,0,0,0|2,0,1]=4 156 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [0,0,1,0,0,0|3,0,0]=4 157 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [0,0,1,0,0,0|3,0,0]=4 158 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,0,1,0,0,0|3,0,0]=4 159 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,0,1,0,0,0|3,0,0]=4 160 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [0,0,1,0,0,0|3,0,0]=4 161 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [0,0,1,0,0,0|3,0,0]=4 162 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [0,0,1,0,0,0|3,0,0]=4 163 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [0,0,1,0,0,0|3,0,0]=4 164 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [0,0,1,0,0,0|3,0,0]=4 165 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,0,1,0,0,0|3,0,0]=4 166 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,0,1,0,0,0|3,0,0]=4 167 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,0,1,0,0,0|3,0,0]=4 168 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,0,1,0,0,0|3,0,0]=4 169 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,0,0,0,1,0|3,0,0]=4 170 B15R2.3 Nc1ccc(cn1)c2ccc(cc2)Br 271570a_100000062249_100000752885 [0,0,0,0,0,1|1,0,2]=4 171 B15R2.3 Nc1ccc(cn1)c2ccc(cc2)Br 271570a_100010235827_100000187370 [0,0,0,0,0,1|1,0,2]=4 172 B15R2.3 Nc1ccc(nc1)c2ccc(cc2)Br 271570a_100010235827_100000744251 [0,0,0,0,0,1|1,0,2]=4 173 B15R2.3 Nc1ccc(nn1)c2ccc(cc2)Br 271570a_100010235827_100009816609 [0,0,0,0,0,1|1,0,2]=4 174 B15R2.3 Nc1cnc(cn1)c2ccc(cc2)Br 271570a_100010235827_100000761932 [0,0,0,0,0,1|1,0,2]=4 175 B15R2.3 Nc1cnc(nc1)c2ccc(cc2)Br 271570a_100010235827_100000068403 [0,0,0,0,0,1|2,0,1]=4 176 B15R2.3 Nc1ncc(cn1)c2ccc(cc2)Br 271570a_100000068091_100000752885 [0,0,0,0,0,1|1,0,2]=4 177 B15R2.3 Nc1ncc(cn1)c2ccc(cc2)Br 271570a_100010235827_100000760574 [0,0,0,0,0,1|1,0,2]=4 178 B15R2.3 Nc1ncc(nn1)c2ccc(cc2)Br 271570a_100010235827_100000691435 [0,0,0,0,0,1|1,0,2]=4 179 B15R2.28 Nc1cccc(n1)c2ccc(cc2)Br 271570a_100010235827_100000740741 [0,0,0,0,0,1|1,0,2]=4 180 B15R2.28 Nc1ccnc(n1)c2ccc(cc2)Br 271570a_100010235827_100000757536 [0,0,0,0,0,1|1,0,2]=4 181 B15R2.28 Nc1cncc(n1)c2ccc(cc2)Br 271570a_100010235827_100009819714 [0,0,0,0,0,1|1,0,2]=4 182 B15R2.28 Nc1nccc(n1)c2ccc(cc2)Br 271570a_100010235827_100009820717 [0,0,0,0,0,1|1,0,2]=4 183 B15R2.28 Nc1ncnc(n1)c2ccc(cc2)Br 271570a_100010235827_100000123831 [0,0,0,0,0,1|1,0,2]=4 184 B15R2.98 Cc1ccc(cc1)NC2COC(=O)O2 34a_100000124888_100000032252 [0,0,0,0,0,1|3,0,0]=4 185 B15R2.98 Cc1ccc(cc1)OC2COC(=O)O2 34a_100000210336_100000032252 [0,0,0,0,0,1|3,0,0]=4 186 B15R2.98 Cc1ccc(cc1)SC2COC(=O)O2 62a_100000186775_100000032252 [0,0,0,0,0,1|3,0,0]=4 187 B15R2.98 Cc1nc(no1)Cc2ccc(cc2)Br 270196a_100000185875_100000070787 [0,0,0,0,0,1|2,0,1]=4 188 B15R2.98 Cc1nc(no1)Nc2ccc(cc2)Br 27a_100000210018_100012003639 [0,0,0,0,0,1|2,0,1]=4 189 B15R2.98 Cc1nc(no1)Sc2ccc(cc2)Br 62a_100000752885_100012003639 [0,0,0,0,0,1|2,0,1]=4 190 B15R2.98 Cc1nc(no1)Sc2ccc(cc2)Br 62a_100012003639_100000752885 [0,0,0,0,0,1|2,0,1]=4 191 B15R2.98 Nc1ccc(cc1)OC2COC(=O)O2 34a_100000185829_100000032252 [0,0,0,0,0,1|3,0,0]=4 192 B15R2.98 Nc1ccc(cc1)SC2COC(=O)O2 62a_100000185761_100000032252 [0,0,0,0,0,1|3,0,0]=4 193 B15R2.98 Nc1csc(n1)Sc2ccc(cc2)Br 62a_100000752885_200015188442 [0,0,0,0,0,1|2,0,1]=4 194 B15R2.98 Nc1csc(n1)Sc2ccc(cc2)Br 62a_200015188442_100000752885 [0,0,0,0,0,1|2,0,1]=4 195 B15R2.98 Nc1nc(cs1)Sc2ccc(cc2)Br 62a_100000752885_100011998049 [0,0,0,0,0,1|0,1,2]=4 196 B15R2.98 Nc1nc(cs1)Sc2ccc(cc2)Br 62a_100011998049_100000752885 [0,0,0,0,0,1|0,1,2]=4 197 B15R2.98 Nc1nc(n[nH]1)Sc2ccc(cc2)Br 62a_100000752885_100015184587 [0,0,0,0,0,1|2,0,1]=4 198 B15R2.98 Nc1nc(n[nH]1)Sc2ccc(cc2)Br 62a_100015184587_100000752885 [0,0,0,0,0,1|2,0,1]=4 199 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Br 34a_100000210018_100000032252 [0,0,0,0,0,1|2,0,0]=3 200 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)Cl 34a_100000210052_100000032252 [0,0,0,0,0,1|2,1,0]=4 201 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)F 34a_100000185862_100000032252 [0,0,0,0,0,1|2,1,0]=4 202 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)I 34a_100000185761_100000032252 [0,0,0,0,0,1|2,1,0]=4 203 B15R2.98 O=C1OCC(O1)Nc2ccc(cc2)O 34a_100000185829_100000032252 [0,0,0,0,0,1|3,0,0]=4 204 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Br 34a_100000185759_100000032252 [0,0,0,0,0,1|2,0,0]=3 205 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)Cl 34a_100000210216_100000032252 [0,0,0,0,0,1|2,1,0]=4 206 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)F 34a_100000210339_100000032252 [0,0,0,0,0,1|2,1,0]=4 207 B15R2.98 O=C1OCC(O1)Oc2ccc(cc2)I 34a_100000212066_100000032252 [0,0,0,0,0,1|2,1,0]=4 208 B15R2.98 O=C1OCC(O1)Oc2ccc(nc2)Br 34a_100000685995_100000032252 [0,0,0,0,0,1|3,0,0]=4 209 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Br 62a_100000752885_100000032252 [0,0,0,0,0,1|2,0,0]=3 210 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)Cl 62a_100000755918_100000032252 [0,0,0,0,0,1|2,1,0]=4 211 B15R2.98 O=C1OCC(O1)Sc2ccc(cc2)F 62a_100000211213_100000032252 [0,0,0,0,0,1|2,1,0]=4 212 B15R2.98 O=C1OCC(O1)Sc2ccc(cn2)Br 62a_100000686858_100000032252 [0,0,0,0,0,1|3,0,0]=4 213 B15R2.98 O=C1OCC(O1)Sc2ccc(nc2)Br 62a_100009814638_100000032252 [0,0,0,0,0,1|3,0,0]=4 214 B15R2.98 Oc1nc(no1)Cc2ccc(cc2)Br 270196a_100000185875_100015183105 [0,0,0,0,0,1|2,0,1]=4 215 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [1,0,1,0,0,0|0,0,2]=4 216 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,0,1,0,0,0|0,0,2]=4 217 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [1,0,1,0,0,0|0,0,2]=4 218 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,0,1,0,0,0|0,0,2]=4 219 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,0,1,0,0,0|0,0,2]=4 220 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,0,1,0,0,0|0,0,2]=4 221 B12R1.1 CCC=NNc1ccc(cc1)Br 4a_100000735608_100000210100 [1,0,1,0,0,0|2,0,0]=4 222 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [1,0,1,0,0,0|1,0,1]=4 223 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [1,0,1,0,0,0|1,0,1]=4 224 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [1,0,1,0,0,0|1,0,1]=4 225 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [1,0,1,0,0,0|1,0,1]=4 226 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [1,0,1,0,0,0|1,0,1]=4 227 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [1,0,1,0,0,0|1,0,1]=4 228 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [1,0,1,0,0,0|0,0,2]=4 229 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [1,0,1,0,0,0|1,0,1]=4 230 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [1,0,1,0,0,0|1,0,1]=4 231 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [1,0,1,0,0,0|1,0,1]=4 232 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [1,0,1,0,0,0|1,0,1]=4 233 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [1,0,1,0,0,0|1,0,1]=4 234 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [1,0,1,0,0,0|1,0,1]=4 235 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,0,1,0,0,0|2,0,0]=4 236 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,0,1,0,0,0|2,0,0]=4 237 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,0,1,0,0,0|1,0,1]=4 238 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,0,1,0,0,0|1,0,1]=4 239 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,0,1,0,0,0|1,0,1]=4 240 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,0,1,0,0,0|1,0,1]=4 241 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,0,1,0,0,0|2,0,0]=4 242 B14R1.21 C=CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210623 [0,1,1,0,0,0|1,0,1]=4 243 B14R1.21 C=CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100015514636 [0,1,1,0,0,0|1,0,1]=4 244 B14R1.21 O=CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_200015260668 [0,1,1,0,0,0|1,0,1]=4 245 B14R1.21 O=CCNC(CO)c1ccc(cc1)Br 34a_100000734186_200009817547 [0,1,1,0,0,0|1,0,1]=4 246 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 240690a_100000734186_100015343762 [0,1,1,0,0,0|1,0,1]=4 247 B14R1.1019 CC(=O)NC(CO)c1ccc(cc1)Br 527a_100000734186_100103153847 [0,1,1,0,0,0|1,0,1]=4 248 B14R1.502 COCC(=NNc1ccc(cc1)Br)C 4a_100000735608_100000749346 [0,1,1,0,0,0|2,0,0]=4 249 B14R1.502 COCC(=O)CCc1ccc(cc1)Br 1458a_100000210968_100011740612 [0,1,1,0,0,0|2,0,0]=4 250 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210968 [0,1,1,0,0,0|1,0,1]=4 251 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210968 [0,1,1,0,0,0|1,0,1]=4 252 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210968 [0,1,1,0,0,0|1,0,1]=4 253 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210968 [0,1,1,0,0,0|1,0,1]=4 254 B14R1.19 C=CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100015514636 [0,1,1,0,0,0|1,0,1]=4 255 B14R1.19 NC(COCC=O)c1ccc(cc1)Br 34a_100000734186_200009817547 [0,1,1,0,0,0|1,0,1]=4 256 B14R1.13 CC(CN)OCCc1ccc(cc1)Br 34a_100000210904_100011740612 [0,1,1,0,0,0|1,0,1]=4 257 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 11a_106832991635_100011236545 [0,1,1,0,0,0|2,0,0]=4 258 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 1626a_100102657272_100011236545 [0,1,1,0,0,0|2,0,0]=4 259 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 240690a_100102657272_100011236545 [0,1,1,0,0,0|2,0,0]=4 260 B14R1.13 CNC(=O)CCCc1ccc(cc1)Br 527a_100102657272_100011236545 [0,1,1,0,0,0|2,0,0]=4 261 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 2708a_100000755846_106832991635 [0,1,1,0,0,0|2,0,0]=4 262 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 2708a_100102657272_100000755846 [0,1,1,0,0,0|2,0,0]=4 263 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 273464a_100000755846_100102657272 [0,1,1,0,0,0|2,0,0]=4 264 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 273464a_100102657272_100000755846 [0,1,1,0,0,0|2,0,0]=4 265 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 512a_100000755846_100102657272 [0,1,1,0,0,0|2,0,0]=4 266 B14R1.13 CNC(=O)NCCc1ccc(cc1)Br 512a_106832991638_100000755846 [0,1,1,0,0,0|2,0,0]=4 267 B14R2.100 CNC1CC(C1)c2ccc(cc2)Br 270004a_106832991635_100000741321 [0,1,0,0,1,0|1,0,1]=4 268 B16R2.121 CN(c1ccc(cc1)Br)C2COC(=O)O2 34a_100000219623_100000032252 [0,1,0,0,0,1|2,0,0]=4 269 B16R2.316 Cc1cc(ccc1NC2COC(=O)O2)Br 34a_100000211769_100000032252 [0,1,0,0,0,1|2,0,0]=4 270 B16R2.316 Cc1cc(ccc1OC2COC(=O)O2)Br 34a_100000186361_100000032252 [0,1,0,0,0,1|2,0,0]=4 271 B16R2.316 Cc1cc(ccc1SC2COC(=O)O2)Br 62a_100000701812_100000032252 [0,1,0,0,0,1|2,0,0]=4 272 B16R2.316 Nc1cc(ccc1OC2COC(=O)O2)Br 34a_100000752626_100000032252 [0,1,0,0,0,1|2,0,0]=4 273 B16R2.316 Nc1cc(ccc1SC2COC(=O)O2)Br 62a_100000743836_100000032252 [0,1,0,0,0,1|2,0,0]=4 274 B16R2.316 O=C1OCC(O1)Nc2ccc(cc2Br)Br 34a_100000211012_100000032252 [0,1,0,0,0,1|2,0,0]=4 275 B16R2.316 O=C1OCC(O1)Nc2ccc(cc2Cl)Br 34a_100000211467_100000032252 [0,1,0,0,0,1|2,0,0]=4 276 B16R2.316 O=C1OCC(O1)Nc2ccc(cc2F)Br 34a_100000210722_100000032252 [0,1,0,0,0,1|2,0,0]=4 277 B16R2.316 O=C1OCC(O1)Nc2ccc(cc2I)Br 34a_100000187925_100000032252 [0,1,0,0,0,1|2,0,0]=4 278 B16R2.316 O=C1OCC(O1)Nc2ccc(cc2O)Br 34a_100000739049_100000032252 [0,1,0,0,0,1|2,0,0]=4 279 B16R2.316 O=C1OCC(O1)Oc2ccc(cc2Br)Br 34a_100000188717_100000032252 [0,1,0,0,0,1|2,0,0]=4 280 B16R2.316 O=C1OCC(O1)Oc2ccc(cc2Cl)Br 34a_100000186472_100000032252 [0,1,0,0,0,1|2,0,0]=4 281 B16R2.316 O=C1OCC(O1)Oc2ccc(cc2F)Br 34a_100000185481_100000032252 [0,1,0,0,0,1|2,0,0]=4 282 B16R2.316 O=C1OCC(O1)Oc2ccc(cc2I)Br 34a_100012355227_100000032252 [0,1,0,0,0,1|2,0,0]=4 283 B16R2.316 O=C1OCC(O1)Sc2ccc(cc2Br)Br 62a_100011484698_100000032252 [0,1,0,0,0,1|2,0,0]=4 284 B16R2.316 O=C1OCC(O1)Sc2ccc(cc2Cl)Br 62a_100011216062_100000032252 [0,1,0,0,0,1|2,0,0]=4 285 B16R2.316 O=C1OCC(O1)Sc2ccc(cc2F)Br 62a_100009814013_100000032252 [0,1,0,0,0,1|2,0,0]=4 286 B16R2.316 O=C1OCC(O1)Sc2ccc(cc2O)Br 62a_100012344904_100000032252 [0,1,0,0,0,1|2,0,0]=4 287 B16R2.11380 Cc1cc(ccc1Br)NC2COC(=O)O2 34a_100000210723_100000032252 [0,1,0,0,0,1|2,0,0]=4 288 B16R2.11380 Cc1cc(ccc1Br)OC2COC(=O)O2 34a_100000690111_100000032252 [0,1,0,0,0,1|2,0,0]=4 289 B16R2.11380 Cc1cc(ccc1Br)SC2COC(=O)O2 62a_100009813585_100000032252 [0,1,0,0,0,1|2,0,0]=4 290 B16R2.11380 Nc1cc(ccc1Br)OC2COC(=O)O2 34a_100011999798_100000032252 [0,1,0,0,0,1|2,0,0]=4 291 B16R2.11380 Nc1cc(ccc1Br)SC2COC(=O)O2 62a_100000750456_100000032252 [0,1,0,0,0,1|2,0,0]=4 292 B16R2.11380 O=C1OCC(O1)Nc2ccc(c(c2)Br)Br 34a_100011306057_100000032252 [0,1,0,0,0,1|2,0,0]=4 293 B16R2.11380 O=C1OCC(O1)Nc2ccc(c(c2)Cl)Br 34a_100000687081_100000032252 [0,1,0,0,0,1|2,0,0]=4 294 B16R2.11380 O=C1OCC(O1)Nc2ccc(c(c2)F)Br 34a_100000759894_100000032252 [0,1,0,0,0,1|2,0,0]=4 295 B16R2.11380 O=C1OCC(O1)Nc2ccc(c(c2)I)Br 34a_100000750459_100000032252 [0,1,0,0,0,1|2,0,0]=4 296 B16R2.11380 O=C1OCC(O1)Oc2ccc(c(c2)Cl)Br 34a_100011215161_100000032252 [0,1,0,0,0,1|2,0,0]=4 297 B16R2.11380 O=C1OCC(O1)Oc2ccc(c(c2)F)Br 34a_100000755031_100000032252 [0,1,0,0,0,1|2,0,0]=4 298 B16R2.11380 O=C1OCC(O1)Oc2ccc(c(c2)I)Br 34a_100012339312_100000032252 [0,1,0,0,0,1|2,0,0]=4 299 B16R2.11380 O=C1OCC(O1)Sc2ccc(c(c2)Br)Br 62a_100012356285_100000032252 [0,1,0,0,0,1|2,0,0]=4 300 B16R2.11380 O=C1OCC(O1)Sc2ccc(c(c2)Cl)Br 62a_100012047281_100000032252 [0,1,0,0,0,1|2,0,0]=4 301 B16R2.11380 O=C1OCC(O1)Sc2ccc(c(c2)F)Br 62a_100000685389_100000032252 [0,1,0,0,0,1|2,0,0]=4 302 B16R2.11380 O=C1OCC(O1)Sc2ccc(c(c2)O)Br 62a_100012356990_100000032252 [0,1,0,0,0,1|2,0,0]=4 303 B16R2.2865 NC(=O)c1nc(no1)c2ccc(cc2)Br 270196a_100000179745_100011215815 [0,2,0,0,0,0|1,0,1]=4 304 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,0,1,0,1,0|2,0,0]=4 305 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,0,1,0,1,0|2,0,0]=4 306 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,0,1,0,1,0|2,0,0]=4 307 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,0,1,0,1,0|2,0,0]=4 308 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,0,1,0,1,0|2,0,0]=4 309 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,0,1,0,1,0|2,0,0]=4 310 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,0,1,0,1,0|1,0,1]=4 311 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [1,0,0,0,1,0|1,0,1]=4 312 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,0,0,0,2,0|1,0,1]=4 313 B14R1.677 C=C(C)COCCc1ccc(cc1)Br 34a_100000210245_100011740612 [0,0,1,0,0,1|2,0,0]=4 314 B14R1.677 C=C(C)COCCc1ccc(cc1)Br 34a_100000766406_100000748629 [0,0,1,0,0,1|2,0,0]=4 315 B14R1.677 C=C(C)COCCc1ccc(cc1)Br 7a_100000766406_100000748629 [0,0,1,0,0,1|2,0,0]=4 316 B14R1.677 C=C(F)COCCc1ccc(cc1)Br 34a_100000766406_100009893438 [0,0,1,0,0,1|2,0,0]=4 317 B14R1.677 C=C(F)COCCc1ccc(cc1)Br 34a_200010262243_100011740612 [0,0,1,0,0,1|2,0,0]=4 318 B14R1.677 C=C(F)COCCc1ccc(cc1)Br 7a_100000766406_100000042424 [0,0,1,0,0,1|2,0,0]=4 319 B14R1.677 CC(=O)COCCc1ccc(cc1)Br 34a_100000211253_100011740612 [0,0,1,0,0,1|2,0,0]=4 320 B14R1.677 CC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_100009814007 [0,0,1,0,0,1|2,0,0]=4 321 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_100009814007 [0,0,1,0,0,1|2,0,0]=4 322 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_100009814007 [0,0,1,0,0,1|2,0,0]=4 323 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_100009814007 [0,0,1,0,0,1|2,0,0]=4 324 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100009814007_100000752885 [0,0,1,0,0,1|2,0,0]=4 325 B14R1.677 CC(=O)OCNCc1ccc(cc1)Br 34a_100000174875_100009813279 [0,0,1,0,0,1|2,0,0]=4 326 B14R1.677 CC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_100009813279 [0,0,1,0,0,1|2,0,0]=4 327 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000076356_100000189115 [0,0,1,0,0,1|2,0,0]=4 328 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000076356 [0,0,1,0,0,1|2,0,0]=4 329 B14R1.677 C[C@@H](N)COCCc1ccc(cc1)Br 34a_100000737577_100011740612 [0,0,1,0,0,1|1,0,1]=4 330 B14R1.677 Cc1ccc(cc1)CCOCC(=O)N 34a_100000756670_100000187820 [0,0,1,0,0,1|2,0,0]=4 331 B14R1.677 Cc1ccc(cc1)CCOCC(=O)N 7a_100000756670_100000187820 [0,0,1,0,0,1|2,0,0]=4 332 B14R1.677 Cc1ccc(cc1)NCCOC(=O)N 34a_100000124888_200011214921 [0,0,1,0,0,1|2,0,0]=4 333 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 34a_100000210336_200011214921 [0,0,1,0,0,1|2,0,0]=4 334 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 7a_100000210336_200011214921 [0,0,1,0,0,1|2,0,0]=4 335 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_100000186775_200011214921 [0,0,1,0,0,1|2,0,0]=4 336 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_200011214921_100000186775 [0,0,1,0,0,1|2,0,0]=4 337 B14R1.677 NC(=O)CCCNc1ccc(cc1)Br 34a_100000210018_100102525003 [0,0,1,0,0,1|2,0,0]=4 338 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br 34a_100000185759_100102525003 [0,0,1,0,0,1|2,0,0]=4 339 B14R1.677 NC(=O)CCCOc1ccc(cc1)Br 7a_100000185759_100102525003 [0,0,1,0,0,1|2,0,0]=4 340 B14R1.677 NC(=O)CCCSc1ccc(cc1)Br 62a_100000752885_100102525003 [0,0,1,0,0,1|2,0,0]=4 341 B14R1.677 NC(=O)CCCSc1ccc(cc1)Br 62a_100102525003_100000752885 [0,0,1,0,0,1|2,0,0]=4 342 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 207a_100000740010_100000186029 [0,0,1,0,0,1|2,0,0]=4 343 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 2230a_100000174875_100000744528 [0,0,1,0,0,1|2,0,0]=4 344 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 34a_100000174875_100000731001 [0,0,1,0,0,1|2,0,0]=4 345 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000695286_100000731001 [0,0,1,0,0,1|2,0,0]=4 346 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000757172_100000189115 [0,0,1,0,0,1|2,0,0]=4 347 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 7a_100000757172_100011217064 [0,0,1,0,0,1|2,0,0]=4 348 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000744528 [0,0,1,0,0,1|2,0,0]=4 349 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000744528_100000189115 [0,0,1,0,0,1|2,0,0]=4 350 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 2230a_100000711301_100011740612 [0,0,1,0,0,1|2,0,0]=4 351 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 2230a_100000755846_100000747473 [0,0,1,0,0,1|2,0,0]=4 352 B14R1.677 NC(=O)CNCCc1ccc(cc1)Br 34a_100000755846_100000187820 [0,0,1,0,0,1|2,0,0]=4 353 B14R1.677 NC(=O)COCCc1ccc(cc1)Br 34a_100000766406_100000187820 [0,0,1,0,0,1|1,0,0]=3 354 B14R1.677 NC(=O)COCCc1ccc(cc1)Br 7a_100000766406_100000187820 [0,0,1,0,0,1|1,0,0]=3 355 B14R1.677 NC(=O)COCCc1ccc(cc1)Cl 34a_100011219627_100000187820 [0,0,1,0,0,1|1,1,0]=4 356 B14R1.677 NC(=O)COCCc1ccc(cc1)Cl 7a_100011219627_100000187820 [0,0,1,0,0,1|1,1,0]=4 357 B14R1.677 NC(=O)COCCc1ccc(cc1)F 34a_100000754732_100000187820 [0,0,1,0,0,1|1,1,0]=4 358 B14R1.677 NC(=O)COCCc1ccc(cc1)F 7a_100000754732_100000187820 [0,0,1,0,0,1|1,1,0]=4 359 B14R1.677 NC(=O)COCCc1ccc(cc1)I 34a_100012291149_100000187820 [0,0,1,0,0,1|1,1,0]=4 360 B14R1.677 NC(=O)COCCc1ccc(cc1)I 7a_100012291149_100000187820 [0,0,1,0,0,1|1,1,0]=4 361 B14R1.677 NC(=O)COCCc1ccc(cc1)N 34a_100011204434_100000187820 [0,0,1,0,0,1|2,0,0]=4 362 B14R1.677 NC(=O)COCCc1ccc(cn1)Br 34a_100012357577_100000187820 [0,0,1,0,0,1|2,0,0]=4 363 B14R1.677 NC(=O)CSCCc1ccc(cc1)Br 62a_100000747473_100011740612 [0,0,1,0,0,1|1,1,0]=4 364 B14R1.677 NC(=O)CSCCc1ccc(cc1)Br 62a_100011740612_100000747473 [0,0,1,0,0,1|1,1,0]=4 365 B14R1.677 NC(=O)NCCNc1ccc(cc1)Br 2230a_100000210018_200000034859 [0,0,1,0,0,1|2,0,0]=4 366 B14R1.677 NC(=O)NCCOc1ccc(cc1)Br 7a_100000185759_200000034859 [0,0,1,0,0,1|2,0,0]=4 367 B14R1.677 NC(=O)NCCSc1ccc(cc1)Br 62a_100000752885_200000034859 [0,0,1,0,0,1|2,0,0]=4 368 B14R1.677 NC(=O)NCCSc1ccc(cc1)Br 62a_200000034859_100000752885 [0,0,1,0,0,1|2,0,0]=4 369 B14R1.677 NC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_200011214921 [0,0,1,0,0,1|1,0,0]=3 370 B14R1.677 NC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_200011214921 [0,0,1,0,0,1|1,1,0]=4 371 B14R1.677 NC(=O)OCCNc1ccc(cc1)F 34a_100000185862_200011214921 [0,0,1,0,0,1|1,1,0]=4 372 B14R1.677 NC(=O)OCCNc1ccc(cc1)I 34a_100000185761_200011214921 [0,0,1,0,0,1|1,1,0]=4 373 B14R1.677 NC(=O)OCCNc1ccc(cc1)O 34a_100000185829_200011214921 [0,0,1,0,0,1|2,0,0]=4 374 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_200011214921 [0,0,1,0,0,1|1,0,0]=3 375 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_200011214921 [0,0,1,0,0,1|1,0,0]=3 376 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_200011214921 [0,0,1,0,0,1|1,1,0]=4 377 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_200011214921 [0,0,1,0,0,1|1,1,0]=4 378 B14R1.677 NC(=O)OCCOc1ccc(cc1)F 34a_100000210339_200011214921 [0,0,1,0,0,1|1,1,0]=4 379 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 34a_100000212066_200011214921 [0,0,1,0,0,1|1,1,0]=4 380 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 7a_100000212066_200011214921 [0,0,1,0,0,1|1,1,0]=4 381 B14R1.677 NC(=O)OCCOc1ccc(cc1)N 34a_100000185829_200011214921 [0,0,1,0,0,1|2,0,0]=4 382 B14R1.677 NC(=O)OCCOc1ccc(nc1)Br 34a_100000685995_200011214921 [0,0,1,0,0,1|2,0,0]=4 383 B14R1.677 NC(=O)OCCOc1ccc(nc1)Br 7a_100000685995_200011214921 [0,0,1,0,0,1|2,0,0]=4 384 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_200011214921 [0,0,1,0,0,1|1,0,0]=3 385 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_200011214921_100000752885 [0,0,1,0,0,1|1,0,0]=3 386 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_200011214921 [0,0,1,0,0,1|1,1,0]=4 387 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_200011214921_100000755918 [0,0,1,0,0,1|1,1,0]=4 388 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_100000211213_200011214921 [0,0,1,0,0,1|1,1,0]=4 389 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_200011214921_100000211213 [0,0,1,0,0,1|1,1,0]=4 390 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_100000185761_200011214921 [0,0,1,0,0,1|2,0,0]=4 391 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_200011214921_100000185761 [0,0,1,0,0,1|2,0,0]=4 392 B14R1.677 NC(=O)OCCSc1ccc(cc1)O 62a_200011214921_100000185759 [0,0,1,0,0,1|2,0,0]=4 393 B14R1.677 NC(=O)OCCSc1ccc(cn1)Br 62a_100000686858_200011214921 [0,0,1,0,0,1|2,0,0]=4 394 B14R1.677 NC(=O)OCCSc1ccc(cn1)Br 62a_200011214921_100000686858 [0,0,1,0,0,1|2,0,0]=4 395 B14R1.677 NC(=O)OCCSc1ccc(nc1)Br 62a_100009814638_200011214921 [0,0,1,0,0,1|2,0,0]=4 396 B14R1.677 NC(=O)OCCSc1ccc(nc1)Br 62a_200011214921_100009814638 [0,0,1,0,0,1|2,0,0]=4 397 B14R1.677 O=C([O-])COCCc1ccc(cc1)Br 34a_100000766406_100020667443 [0,0,1,0,0,1|2,0,0]=4 398 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [1,0,0,0,0,1|2,0,0]=4 399 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [1,0,0,0,0,1|2,0,0]=4 400 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [1,0,0,0,0,1|2,0,0]=4 401 B14R2.72 Brc1ccc(cc1)NC2CCOC2 2230a_100000210018_100000731011 [1,0,0,0,0,1|1,0,1]=4 402 B14R2.72 Brc1ccc(cc1)NC2CCOC2 34a_100000210018_100000690089 [1,0,0,0,0,1|1,0,1]=4 403 B14R2.72 Brc1ccc(cc1)OC2CCOC2 34a_100000185759_100000690089 [1,0,0,0,0,1|1,0,1]=4 404 B14R2.72 Brc1ccc(cc1)OC2CCOC2 7a_100000185759_100000731011 [1,0,0,0,0,1|1,0,1]=4 405 B14R2.72 Brc1ccc(cc1)SC2CCOC2 62a_100000752885_100000690089 [1,0,0,0,0,1|1,0,1]=4 406 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Br 2230a_100000210018_100015307671 [0,0,0,0,0,2|1,0,1]=4 407 B16R2.137 O=C1N[C@H](CO1)CNc2ccc(cc2)Br 34a_100000210018_100015307671 [0,0,0,0,0,2|1,0,1]=4 408 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 34a_100000185759_100015307671 [0,0,0,0,0,2|1,0,1]=4 409 B16R2.137 O=C1N[C@H](CO1)COc2ccc(cc2)Br 7a_100000185759_100015307671 [0,0,0,0,0,2|1,0,1]=4 410 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Br 62a_100000752885_100015307671 [0,0,0,0,0,2|1,0,1]=4 411 B16R2.137 O=C1N[C@H](CO1)CSc2ccc(cc2)Br 62a_100015307671_100000752885 [0,0,0,0,0,2|1,0,1]=4 412 B16R2.137 O=C1OCC(O1)CNc2ccc(cc2)Br 34a_100000210018_100000073702 [0,0,0,0,0,2|2,0,0]=4 413 B16R2.137 O=C1OCC(O1)COc2ccc(cc2)Br 34a_100000185759_100000073702 [0,0,0,0,0,2|2,0,0]=4 414 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Br 62a_100000073702_100000752885 [0,0,0,0,0,2|2,0,0]=4 415 B16R2.137 O=C1OCC(O1)CSc2ccc(cc2)Br 62a_100000752885_100000073702 [0,0,0,0,0,2|2,0,0]=4 416 B16R2.137 O=C1OCC(O1)NCc2ccc(cc2)Br 34a_100000174875_100000032252 [0,0,0,0,0,2|2,0,0]=4 417 B16R2.137 O=C1OCC(O1)OCc2ccc(cc2)Br 34a_100000695286_100000032252 [0,0,0,0,0,2|2,0,0]=4 418 B16R2.137 O=C1OCC(O1)SCc2ccc(cc2)Br 62a_100000189115_100000032252 [0,0,0,0,0,2|2,0,0]=4