0 B14R1.101 C=Cc1cc(ccc1OC(C)C)C=O 271570a_100011290941_200000173091 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.101 C=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100011290941_100009813048 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.101 C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100011290941_100012354883 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.101 C=Cc1ccc(c(c1)OC)OC(C)C 34a_100011217988_100000210206 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.101 CC(=Cc1ccc(cc1C#N)C=O)C 271570a_100102525489_100010128726 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.101 CC(=Cc1ccc(cc1CO)C=O)C 271570a_100102525489_100015639582 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.101 CC(=O)Nc1ccc(cc1S[13CH3])C#N 62a_200025704644_200011214909 [0,0,0,0,0,0|2,1,1]=4 7 B14R1.101 CC(C)Oc1ccc(cc1S[13CH3])C=O 62a_200000173091_200025704644 [0,0,0,0,0,0|1,1,1]=3 8 B14R1.101 CC(C)Oc1ccc(cc1S[13CH3])C=O 62a_200025704644_200000173091 [0,0,0,0,0,0|1,1,1]=3 9 B14R1.101 CCc1cc(ccc1NC(=O)C)C#N 11a_100011219738_100015343762 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.101 CCc1cc(ccc1NC(=O)C)C#N 1626a_100011219738_100015343762 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.101 CCc1cc(ccc1NC(=O)C)C#N 527a_100011219738_100103153847 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.101 CCc1ccc(c(c1)OC)C=C(C)C 271570a_100102525489_200010710389 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.101 CCc1ccc(c(c1)OC)OC(C)C 34a_100000186467_100000210206 [0,0,0,0,0,0|2,0,2]=4 14 B14R1.101 CCc1ccc(c(c1)OC)OC(C)C 7a_100000186467_100000210206 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.101 CNc1cc(ccc1NC(=O)C)OC 2230a_100000744381_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.101 CNc1cc(ccc1NC(=O)C)OC 34a_100000744381_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B14R1.101 CNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B14R1.101 CNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B14R1.101 COc1cc(ccc1C=C(C)C)C#N 271570a_100102525489_100012356288 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.101 COc1cc(ccc1C=C(C)C)C=O 271570a_100102525489_100010244714 [0,0,0,0,0,0|2,0,0]=2 21 B14R1.101 COc1cc(ccc1C=C(C)C)CO 271570a_100102525489_100010234685 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 11a_100000701993_100015343762 [0,0,0,0,0,0|2,0,1]=3 23 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 1626a_100000701993_100015343762 [0,0,0,0,0,0|2,0,1]=3 24 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 22a_100000701993_100000070787 [0,0,0,0,0,0|2,0,1]=3 25 B14R1.101 COc1cc(ccc1NC(=O)C)C#N 527a_100000701993_100103153847 [0,0,0,0,0,0|2,0,1]=3 26 B14R1.101 COc1cc(ccc1NC(=O)C)CO 22a_100000087641_100000070787 [0,0,0,0,0,0|1,0,2]=3 27 B14R1.101 COc1cc(ccc1NC(=O)C)N[13CH3] 34a_100015186897_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B14R1.101 COc1cc(ccc1NC(=O)C)N[13CH3] 7a_100015186897_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B14R1.101 COc1cc(ccc1NC(=O)C)SC 11a_100000766855_100015343762 [0,0,0,0,0,0|3,0,0]=3 30 B14R1.101 COc1cc(ccc1NC(=O)C)SC 22a_100000766855_100000070787 [0,0,0,0,0,0|3,0,0]=3 31 B14R1.101 COc1cc(ccc1NC(=O)C)SC 527a_100000766855_100103153847 [0,0,0,0,0,0|3,0,0]=3 32 B14R1.101 COc1cc(ccc1OC(C)C)C#N 34a_100000184589_100000210206 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.101 COc1cc(ccc1OC(C)C)C#N 7a_100000184589_100000210206 [0,0,0,0,0,0|2,0,2]=4 34 B14R1.101 COc1cc(ccc1OC(C)C)CN 34a_100000185554_100000210206 [0,0,0,0,0,0|2,0,2]=4 35 B14R1.101 COc1cc(ccc1OC(C)C)SC 62a_100012354883_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B14R1.101 COc1cc(ccc1OC(C)C)SC 62a_200000210301_100012354883 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.101 COc1cc(ccc1OC(C)C)S[13CH3] 62a_100012354883_200025704644 [0,0,0,0,0,0|3,0,1]=4 38 B14R1.101 COc1cc(ccc1OC(C)C)S[13CH3] 62a_200025704644_100012354883 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.101 COc1cc(ccc1SC(C)C)C=O 62a_100000210206_100010244714 [0,0,0,0,0,0|1,1,1]=3 40 B14R1.101 COc1cc(ccc1SC(C)C)C=O 62a_100010244714_100000210206 [0,0,0,0,0,0|1,1,1]=3 41 B14R1.101 COc1ccc(c(c1)N[13CH3])NC(=O)C 2230a_100000744381_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.101 COc1ccc(c(c1)N[13CH3])NC(=O)C 34a_100000744381_200025704644 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.101 COc1ccc(c(c1)OC)C=C(C)C 271570a_100102525489_100000750026 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.101 COc1ccc(c(c1)OC)CC(=O)C 1458a_100000195418_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B14R1.101 COc1ccc(c(c1)OC)CC(=O)[13CH3] 1458a_100000195418_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 11a_100000211191_100015343762 [0,0,0,0,0,0|3,0,0]=3 47 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 1626a_100000211191_100015343762 [0,0,0,0,0,0|3,0,0]=3 48 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 22a_100000211191_100000070787 [0,0,0,0,0,0|3,0,0]=3 49 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C 527a_100000211191_100103153847 [0,0,0,0,0,0|3,0,0]=3 50 B14R1.101 COc1ccc(c(c1)OC)OC(C)C 34a_100009840267_100000210206 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.101 CSc1cc(ccc1NC(=O)C)C#N 62a_200000210301_200011214909 [0,0,0,0,0,0|2,1,1]=4 52 B14R1.101 CSc1cc(ccc1OC(C)C)C=O 62a_200000173091_200000210301 [0,0,0,0,0,0|1,1,1]=3 53 B14R1.101 CSc1cc(ccc1OC(C)C)C=O 62a_200000210301_200000173091 [0,0,0,0,0,0|1,1,1]=3 54 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Br 34a_100000749274_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Br 7a_100000749274_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 2230a_100000750913_200025704644 [1,0,0,0,0,0|2,0,1]=4 57 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 34a_100000750913_200025704644 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])C 7a_100000750913_200025704644 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Cl 34a_100000747302_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.51 CC(=O)Nc1ccc(cc1N[13CH3])Cl 7a_100000747302_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 34a_100000161862_200025704644 [1,0,0,0,0,0|1,0,1]=3 62 B13R1.51 CC(=O)Nc1ccc(cc1O[13CH3])C 7a_100000161862_200025704644 [1,0,0,0,0,0|1,0,1]=3 63 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])Br 62a_100009813020_200025704644 [1,0,0,0,0,0|2,1,0]=4 64 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])C 62a_200025704644_100000152032 [1,0,0,0,0,0|1,1,1]=4 65 B13R1.51 CC(=O)Nc1ccc(cc1S[13CH3])F 62a_200025704644_100011215554 [1,0,0,0,0,0|2,1,0]=4 66 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 11a_100000686106_100015343762 [1,0,0,0,0,0|3,0,0]=4 67 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 1626a_100000686106_100015343762 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 22a_100000686106_100000070787 [1,0,0,0,0,0|3,0,0]=4 69 B13R1.51 CCc1cc(ccc1NC(=O)C)Br 527a_100000686106_100103153847 [1,0,0,0,0,0|3,0,0]=4 70 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 11a_100012017146_100015343762 [1,0,0,0,0,0|3,0,0]=4 71 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 1626a_100012017146_100015343762 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.51 CCc1cc(ccc1NC(=O)C)Cl 22a_100012017146_100000070787 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.51 CCc1cc(ccc1NC(=O)C)I 11a_100000014069_100015343762 [1,0,0,0,0,0|3,0,0]=4 74 B13R1.51 CCc1cc(ccc1NC(=O)C)I 1626a_100000014069_100015343762 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.51 CCc1cc(ccc1NC(=O)C)I 22a_100000014069_100000070787 [1,0,0,0,0,0|3,0,0]=4 76 B13R1.51 CCc1cc(ccc1NC(=O)C)I 527a_100000014069_100103153847 [1,0,0,0,0,0|3,0,0]=4 77 B13R1.51 CNc1cc(ccc1NC(=O)C)Br 34a_100000749274_200000210301 [1,0,0,0,0,0|3,0,0]=4 78 B13R1.51 CNc1cc(ccc1NC(=O)C)Br 7a_100000749274_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B13R1.51 CNc1cc(ccc1NC(=O)C)C 2230a_100000750913_200000210301 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.51 CNc1cc(ccc1NC(=O)C)C 34a_100000750913_200000210301 [1,0,0,0,0,0|2,0,1]=4 81 B13R1.51 CNc1cc(ccc1NC(=O)C)C 7a_100000750913_200000210301 [1,0,0,0,0,0|2,0,1]=4 82 B13R1.51 CNc1cc(ccc1NC(=O)C)Cl 34a_100000747302_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B13R1.51 CNc1cc(ccc1NC(=O)C)Cl 7a_100000747302_200000210301 [1,0,0,0,0,0|3,0,0]=4 84 B13R1.51 COc1cc(ccc1C=C(C)C)Br 271570a_100102525489_100010245111 [1,0,0,0,0,0|3,0,0]=4 85 B13R1.51 COc1cc(ccc1C=C(C)C)C 271570a_100102525489_100010200004 [1,0,0,0,0,0|2,0,1]=4 86 B13R1.51 COc1cc(ccc1C=C(C)C)Cl 271570a_100102525489_100000050115 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.51 COc1cc(ccc1C=C(C)C)F 271570a_100102525489_100000757151 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.51 COc1cc(ccc1C=C(C)C)N 271570a_100102525489_100000765947 [1,0,0,0,0,0|3,0,0]=4 89 B13R1.51 COc1cc(ccc1C=C(C)C)O 271570a_100102525489_100011827694 [1,0,0,0,0,0|2,0,1]=4 90 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100000070787_100012359436 [1,0,0,0,0,0|2,0,0]=3 91 B13R1.51 COc1cc(ccc1CC(=O)C)Br 1458a_100010245118_200000210301 [1,0,0,0,0,0|2,0,0]=3 92 B13R1.51 COc1cc(ccc1CC(=O)C)Cl 1458a_100010217541_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000062011_200000210301 [1,0,0,0,0,0|2,0,0]=3 94 B13R1.51 COc1cc(ccc1CC(=O)C)F 1458a_100000070787_200010171551 [1,0,0,0,0,0|2,0,0]=3 95 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Br 1458a_100010245118_200025704644 [1,0,0,0,0,0|2,0,0]=3 96 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])Cl 1458a_100010217541_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B13R1.51 COc1cc(ccc1CC(=O)[13CH3])F 1458a_100000062011_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B13R1.51 COc1cc(ccc1NC(=O)C)Br 11a_100011279103_100015343762 [1,0,0,0,0,0|2,0,0]=3 99 B13R1.51 COc1cc(ccc1NC(=O)C)Br 1626a_100011279103_100015343762 [1,0,0,0,0,0|2,0,0]=3 100 B13R1.51 COc1cc(ccc1NC(=O)C)Br 22a_100011279103_100000070787 [1,0,0,0,0,0|2,0,0]=3 101 B13R1.51 COc1cc(ccc1NC(=O)C)C 11a_100000746441_100015343762 [1,0,0,0,0,0|1,0,1]=3 102 B13R1.51 COc1cc(ccc1NC(=O)C)C 1626a_100000746441_100015343762 [1,0,0,0,0,0|1,0,1]=3 103 B13R1.51 COc1cc(ccc1NC(=O)C)C 22a_100000746441_100000070787 [1,0,0,0,0,0|1,0,1]=3 104 B13R1.51 COc1cc(ccc1NC(=O)C)C 34a_100000161862_200000210301 [1,0,0,0,0,0|1,0,1]=3 105 B13R1.51 COc1cc(ccc1NC(=O)C)C 527a_100000746441_100103153847 [1,0,0,0,0,0|1,0,1]=3 106 B13R1.51 COc1cc(ccc1NC(=O)C)C 7a_100000161862_200000210301 [1,0,0,0,0,0|1,0,1]=3 107 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 11a_100000707585_100015343762 [1,0,0,0,0,0|2,0,0]=3 108 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 1626a_100000707585_100015343762 [1,0,0,0,0,0|2,0,0]=3 109 B13R1.51 COc1cc(ccc1NC(=O)C)Cl 22a_100000707585_100000070787 [1,0,0,0,0,0|2,0,0]=3 110 B13R1.51 COc1cc(ccc1NC(=O)C)F 11a_100000737216_100015343762 [1,0,0,0,0,0|2,0,0]=3 111 B13R1.51 COc1cc(ccc1NC(=O)C)F 1626a_100000737216_100015343762 [1,0,0,0,0,0|2,0,0]=3 112 B13R1.51 COc1cc(ccc1NC(=O)C)F 22a_100000737216_100000070787 [1,0,0,0,0,0|2,0,0]=3 113 B13R1.51 COc1cc(ccc1NC(=O)C)F 527a_100000737216_100103153847 [1,0,0,0,0,0|2,0,0]=3 114 B13R1.51 COc1cc(ccc1NC(=O)C)I 11a_100015196925_100015343762 [1,0,0,0,0,0|2,0,0]=3 115 B13R1.51 COc1cc(ccc1NC(=O)C)I 1626a_100015196925_100015343762 [1,0,0,0,0,0|2,0,0]=3 116 B13R1.51 COc1cc(ccc1NC(=O)C)I 22a_100015196925_100000070787 [1,0,0,0,0,0|2,0,0]=3 117 B13R1.51 COc1cc(ccc1NC(=O)C)O 22a_100015326901_100000070787 [1,0,0,0,0,0|1,0,1]=3 118 B13R1.51 COc1cc(ccc1NC(=O)C)O 271570a_203496583355_100009813048 [1,0,0,0,0,0|1,0,1]=3 119 B13R1.51 COc1cc(ccc1NC(=O)C)O 527a_100015326901_100103153847 [1,0,0,0,0,0|1,0,1]=3 120 B13R1.51 COc1cc(ccc1OC(C)C)Br 34a_100000694246_100000210206 [1,0,0,0,0,0|2,0,1]=4 121 B13R1.51 COc1cc(ccc1OC(C)C)Br 7a_100000694246_100000210206 [1,0,0,0,0,0|2,0,1]=4 122 B13R1.51 COc1cc(ccc1OC(C)C)C 34a_100000186466_100000210206 [1,0,0,0,0,0|1,0,2]=4 123 B13R1.51 COc1cc(ccc1OC(C)C)Cl 34a_100000033002_100000210206 [1,0,0,0,0,0|2,0,1]=4 124 B13R1.51 COc1cc(ccc1OC(C)C)F 34a_100000036057_100000210206 [1,0,0,0,0,0|2,0,1]=4 125 B13R1.51 COc1cc(ccc1OC(C)C)F 7a_100000036057_100000210206 [1,0,0,0,0,0|2,0,1]=4 126 B13R1.51 COc1cc(ccc1OC(C)C)I 34a_100000049635_100000210206 [1,0,0,0,0,0|2,0,1]=4 127 B13R1.51 COc1cc(ccc1OC(C)C)N 34a_100000726020_100000210206 [1,0,0,0,0,0|2,0,1]=4 128 B13R1.51 COc1cc(ccc1OC(C)C)O 271570a_203496583355_100012354883 [1,0,0,0,0,0|1,0,2]=4 129 B13R1.51 COc1nc(ccc1CC(=O)C)Br 1458a_100000070787_100016029037 [1,0,0,0,0,0|3,0,0]=4 130 B13R1.51 CSc1cc(ccc1NC(=O)C)Br 62a_100009813020_200000210301 [1,0,0,0,0,0|2,1,0]=4 131 B13R1.51 CSc1cc(ccc1NC(=O)C)C 62a_200000210301_100000152032 [1,0,0,0,0,0|1,1,1]=4 132 B13R1.51 CSc1cc(ccc1NC(=O)C)F 62a_200000210301_100011215554 [1,0,0,0,0,0|2,1,0]=4 133 B13R1.653 C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100011290941_100000152120 [1,0,0,0,0,0|2,0,0]=3 134 B13R1.653 C=Cc1ccc(c(c1)C)OC(C)C 271570a_100011290941_200011825982 [1,0,0,0,0,0|2,0,1]=4 135 B13R1.653 C=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100011290941_100011273303 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.653 C=Cc1ccc(c(c1)F)NC(=O)C 271570a_100011290941_100000155584 [1,0,0,0,0,0|3,0,0]=4 137 B13R1.653 C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100011290941_100009811628 [1,0,0,0,0,0|2,0,0]=3 138 B13R1.653 C=Cc1ccc(c(c1)N)NC(=O)C 271570a_100011290941_100000749274 [1,0,0,0,0,0|3,0,0]=4 139 B13R1.653 C=Cc1cnc(c(c1)C)NC(=O)C 271570a_100011290941_200011934169 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.653 CC(=Cc1ccc(cc1C)C=O)C 271570a_100102525489_100000765772 [1,0,0,0,0,0|2,0,0]=3 141 B13R1.653 CC(=Cc1ccc(cc1F)C=O)C 271570a_100102525489_100000686674 [1,0,0,0,0,0|3,0,0]=4 142 B13R1.653 CC(=Cc1ccc(cc1O)C=O)C 271570a_100102525489_100000041418 [1,0,0,0,0,0|2,0,0]=3 143 B13R1.653 CC(=Cc1ccc(nc1C)C=O)C 271570a_100102525489_100010238520 [1,0,0,0,0,0|3,0,0]=4 144 B13R1.653 CC(=Cc1cnc(cc1C)C=O)C 271570a_100102525489_100009814806 [1,0,0,0,0,0|3,0,0]=4 145 B13R1.653 CC(=Cc1ncc(cc1C)C=O)C 271570a_100102525489_100000070293 [1,0,0,0,0,0|3,0,0]=4 146 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 11a_100011216260_100015343762 [1,0,0,0,0,0|2,0,1]=4 147 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 1626a_100011216260_100015343762 [1,0,0,0,0,0|2,0,1]=4 148 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 527a_100011216260_100103153847 [1,0,0,0,0,0|2,0,1]=4 149 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [1,0,0,0,0,0|1,0,2]=4 150 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B13R1.653 CC(=O)Nc1ccc(cc1C)S[13CH3] 62a_200025704644_100000152120 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000070787 [1,0,0,0,0,0|2,0,1]=4 154 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 271570a_203496583355_200011214909 [1,0,0,0,0,0|2,0,1]=4 155 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100103153847 [1,0,0,0,0,0|2,0,1]=4 156 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [1,0,0,0,0,0|3,0,0]=4 158 B13R1.653 CC(C)Oc1ccc(cc1O)C=O 271570a_203496583355_200000173091 [1,0,0,0,0,0|1,0,1]=3 159 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000041418_100000210206 [1,0,0,0,0,0|1,1,1]=4 160 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000210206_100000041418 [1,0,0,0,0,0|1,1,1]=4 161 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [1,0,0,0,0,0|2,0,1]=4 162 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [1,0,0,0,0,0|2,0,1]=4 163 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [1,0,0,0,0,0|2,0,1]=4 164 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [1,0,0,0,0,0|2,0,1]=4 165 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [1,0,0,0,0,0|2,0,1]=4 166 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [1,0,0,0,0,0|2,0,1]=4 167 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [1,0,0,0,0,0|3,0,0]=4 172 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [1,0,0,0,0,0|3,0,0]=4 173 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [1,0,0,0,0,0|3,0,0]=4 174 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [1,0,0,0,0,0|3,0,0]=4 176 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [1,0,0,0,0,0|3,0,0]=4 177 B13R1.653 CSc1ccc(c(c1)C)NC(=O)C 62a_200000210301_100000152120 [1,0,0,0,0,0|3,0,0]=4 178 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.653 Cc1cc(ccc1SC(C)C)C=O 62a_100000210206_100000765772 [1,0,0,0,0,0|1,1,1]=4 181 B13R1.653 Cc1cc(ccc1SC(C)C)C=O 62a_100000765772_100000210206 [1,0,0,0,0,0|1,1,1]=4 182 B13R1.1249 C=C=Cc1ccc(cc1OC)C=O 271570a_100015277604_100010244714 [1,0,0,0,0,0|1,0,2]=4 183 B13R1.1249 C=Cc1cc(ccc1OCC)C=O 271570a_100011290941_100000173028 [1,0,0,0,0,0|1,0,2]=4 184 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [1,0,0,0,0,0|2,0,1]=4 185 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [1,0,0,0,0,0|3,0,0]=4 186 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [1,0,0,0,0,0|1,0,1]=3 187 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [1,0,0,0,0,0|1,0,1]=3 188 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [1,0,0,0,0,0|2,0,1]=4 189 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [1,0,0,0,0,0|2,0,1]=4 190 B13R1.1249 CC=Cc1ccc(cc1C#N)C=O 271570a_100016259895_100010128726 [1,0,0,0,0,0|3,0,0]=4 191 B13R1.1249 CC=Cc1ccc(cc1CO)C=O 271570a_100016259895_100015639582 [1,0,0,0,0,0|3,0,0]=4 192 B13R1.1249 CC=Cc1ccc(cc1OC)C#N 271570a_100016259895_100012356288 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.1249 CC=Cc1ccc(cc1OC)C=O 271570a_100016259895_100010244714 [1,0,0,0,0,0|1,0,0]=2 194 B13R1.1249 CC=Cc1ccc(cc1OC)CC 271570a_100016259895_200010710389 [1,0,0,0,0,0|2,0,1]=4 195 B13R1.1249 CC=Cc1ccc(cc1OC)CO 271570a_100016259895_100010234685 [1,0,0,0,0,0|1,0,2]=4 196 B13R1.1249 CC=Cc1ccc(cc1OC)OC 271570a_100016259895_100000750026 [1,0,0,0,0,0|3,0,0]=4 197 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [1,0,0,0,0,0|1,0,2]=4 198 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [1,0,0,0,0,0|1,0,2]=4 199 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [1,0,0,0,0,0|1,0,2]=4 200 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [1,0,0,0,0,0|1,0,2]=4 201 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [1,0,0,0,0,0|1,0,2]=4 202 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [1,0,0,0,0,0|2,0,1]=4 205 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [1,0,0,0,0,0|2,0,1]=4 207 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_100000173028_200000210301 [1,0,0,0,0,0|0,1,1]=3 208 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173028 [1,0,0,0,0,0|0,1,1]=3 209 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_100000173028_200025704644 [1,0,0,0,0,0|0,1,1]=3 210 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173028 [1,0,0,0,0,0|0,1,1]=3 211 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [1,0,0,0,0,0|0,1,1]=3 212 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [1,0,0,0,0,0|0,1,1]=3 213 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100010244714_100015361967 [1,0,0,0,0,0|1,1,1]=4 214 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100015361967_100010244714 [1,0,0,0,0,0|1,1,1]=4 215 B15R1.37 C=C(C)c1ccc(c(c1)OC)NC(=O)C 271570a_100000694244_100009813048 [0,1,0,0,0,0|2,0,0]=3 216 B15R1.37 C=C(C)c1ccc(c(c1)OC)OC(C)C 271570a_100000694244_100012354883 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.37 C=Cc1cc(ccc1NC(=O)C)C(=O)C 271570a_100011290941_100009813952 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.37 CC(=O)Nc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000193061_200025704644 [0,1,0,0,0,0|2,0,0]=3 219 B15R1.37 CC(=O)Nc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000193061_200025704644 [0,1,0,0,0,0|2,0,0]=3 220 B15R1.37 COc1cc(ccc1C=C(C)C)C(=O)C 271570a_100102525489_100010110075 [0,1,0,0,0,0|2,0,0]=3 221 B15R1.37 COc1cc(ccc1C=C(C)C)C(=O)N 271570a_100102525489_100009817049 [0,1,0,0,0,0|2,0,0]=3 222 B15R1.37 COc1cc(ccc1CC(=O)C)[N+](=O)[O-] 1458a_100000070787_100010150584 [0,1,0,0,0,0|2,0,0]=3 223 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 11a_100011850419_100015343762 [0,1,0,0,0,0|1,0,0]=2 224 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 1626a_100011850419_100015343762 [0,1,0,0,0,0|1,0,0]=2 225 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 22a_100011850419_100000070787 [0,1,0,0,0,0|1,0,0]=2 226 B15R1.37 COc1cc(ccc1NC(=O)C)C(=O)N 527a_100011850419_100103153847 [0,1,0,0,0,0|1,0,0]=2 227 B15R1.37 COc1cc(ccc1NC(=O)C)N(C)C 11a_100011900498_100015343762 [0,1,0,0,0,0|3,0,0]=4 228 B15R1.37 COc1cc(ccc1NC(=O)C)N(C)C 1626a_100011900498_100015343762 [0,1,0,0,0,0|3,0,0]=4 229 B15R1.37 COc1cc(ccc1NC(=O)C)N(C)C 22a_100011900498_100000070787 [0,1,0,0,0,0|3,0,0]=4 230 B15R1.37 COc1cc(ccc1NC(=O)C)N(C)C 527a_100011900498_100103153847 [0,1,0,0,0,0|3,0,0]=4 231 B15R1.37 COc1cc(ccc1NC(=O)C)[N+](=O)[O-] 11a_100000211086_100015343762 [0,1,0,0,0,0|2,0,0]=3 232 B15R1.37 COc1cc(ccc1NC(=O)C)[N+](=O)[O-] 1626a_100000211086_100015343762 [0,1,0,0,0,0|2,0,0]=3 233 B15R1.37 COc1cc(ccc1NC(=O)C)[N+](=O)[O-] 34a_100000193061_200000210301 [0,1,0,0,0,0|2,0,0]=3 234 B15R1.37 COc1cc(ccc1NC(=O)C)[N+](=O)[O-] 7a_100000193061_200000210301 [0,1,0,0,0,0|2,0,0]=3 235 B15R1.37 COc1cc(ccc1NC(C)C)C(=O)N 27a_100138425928_100009817049 [0,1,0,0,0,0|2,0,1]=4 236 B15R1.37 COc1cc(ccc1NC(C)C)C(=O)N 34a_100011850419_100000210206 [0,1,0,0,0,0|2,0,1]=4 237 B15R1.37 COc1cc(ccc1OC(C)C)C(=O)C 1458a_100000182801_200000210301 [0,1,0,0,0,0|1,0,1]=3 238 B15R1.37 COc1cc(ccc1OC(C)C)C(=O)C 34a_100000186468_100000210206 [0,1,0,0,0,0|1,0,1]=3 239 B15R1.37 COc1cc(ccc1OC(C)C)C(=O)C 7a_100000186468_100000210206 [0,1,0,0,0,0|1,0,1]=3 240 B15R1.37 COc1cc(ccc1OC(C)C)C(=O)[13CH3] 1458a_100000182801_200025704644 [0,1,0,0,0,0|1,0,1]=3 241 B15R1.37 COc1cc(ccc1OC(C)C)[N+](=O)[O-] 34a_100000742293_100000210206 [0,1,0,0,0,0|2,0,1]=4 242 B15R1.37 COc1cc(ccc1OC(C)C)[N+](=O)[O-] 7a_100000742293_100000210206 [0,1,0,0,0,0|2,0,1]=4 243 B15R1.37 COc1cc(ccc1OC(F)F)C(=O)C 1458a_100000183218_200000210301 [0,1,0,0,0,0|2,0,1]=4 244 B15R1.37 COc1cc(ccc1OC(F)F)C(=O)[13CH3] 1458a_100000183218_200025704644 [0,1,0,0,0,0|2,0,1]=4 245 B15R1.37 COc1cc(ccc1SC(C)C)C(=O)C 62a_100010110075_100000210206 [0,1,0,0,0,0|1,1,1]=4 246 B15R1.37 COc1cc(ccc1SC(C)C)C(=O)N 62a_100009817049_100000210206 [0,1,0,0,0,0|1,1,1]=4 247 B15R1.594 C=C=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100015277604_100009813048 [0,1,0,0,0,0|2,0,0]=3 248 B15R1.594 C=C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100015277604_100012354883 [0,1,0,0,0,0|2,0,1]=4 249 B15R1.594 C=CCc1ccc(c(c1)OC)OC(C)C 34a_100000181329_100000210206 [0,1,0,0,0,0|2,0,1]=4 250 B15R1.594 CC=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100016259895_100009813048 [0,1,0,0,0,0|2,0,0]=3 251 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 271570a_100016259895_100012354883 [0,1,0,0,0,0|2,0,1]=4 252 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 34a_100015195088_100000210206 [0,1,0,0,0,0|2,0,1]=4 253 B15R1.594 CCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100000210202 [0,1,0,0,0,0|2,0,1]=4 254 B15R1.594 CCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100000210202 [0,1,0,0,0,0|2,0,1]=4 255 B15R1.594 CNCc1ccc(c(c1)OC)OC(=O)C 207a_100102657272_100000189339 [0,1,0,0,0,0|1,0,1]=3 256 B15R1.594 CNCc1ccc(c(c1)OC)OC(=O)C 270004a_106832991635_100000189339 [0,1,0,0,0,0|1,0,1]=3 257 B15R1.594 COc1cc(ccc1NC(=O)C)NCF 34a_100015186897_100015361967 [0,1,0,0,0,0|2,0,1]=4 258 B15R1.594 COc1cc(ccc1NC(=O)C)NCF 7a_100015186897_100015361967 [0,1,0,0,0,0|2,0,1]=4 259 B15R1.712 COc1cc(c(c(c1)OC)NC(=O)C)Cl 11a_100000041261_100015343762 [0,1,0,0,0,0|3,0,0]=4 260 B15R1.712 COc1cc(c(c(c1)OC)NC(=O)C)Cl 1626a_100000041261_100015343762 [0,1,0,0,0,0|3,0,0]=4 261 B15R1.712 COc1cc(c(c(c1)OC)NC(=O)C)Cl 22a_100000041261_100000070787 [0,1,0,0,0,0|3,0,0]=4 262 B15R1.712 COc1cc(c(c(c1)OC)NC(=O)C)Cl 527a_100000041261_100103153847 [0,1,0,0,0,0|3,0,0]=4 263 B15R1.712 COc1cc(cc(c1OC(=O)C)O)C#N 271570a_203496583355_100009812363 [0,1,0,0,0,0|1,0,1]=3 264 B15R1.712 COc1cc(cc(c1OC(=O)C)O)C=O 271570a_203496583355_200000014698 [0,1,0,0,0,0|0,0,0]=1 265 B15R1.712 COc1cc(cc(c1OC(C)C)O)C=O 271570a_203496583355_200000188531 [0,1,0,0,0,0|1,0,1]=3 266 B15R1.712 COc1cc(cc(c1OC(F)F)O)C=O 271570a_203496583355_100000179065 [0,1,0,0,0,0|2,0,1]=4 267 B15R1.1822 COc1cc(c(cc1C=C(C)C)F)C=O 271570a_100102525489_100000695681 [0,1,0,0,0,0|2,0,0]=3 268 B15R1.1822 COc1cc(c(cc1C=C(C)C)O)C=O 271570a_100102525489_100010762608 [0,1,0,0,0,0|2,0,0]=3 269 B15R1.1822 COc1cc(c(cc1Cl)NC(=O)C)OC 11a_100000212179_100015343762 [0,1,0,0,0,0|3,0,0]=4 270 B15R1.1822 COc1cc(c(cc1Cl)NC(=O)C)OC 1626a_100000212179_100015343762 [0,1,0,0,0,0|3,0,0]=4 271 B15R1.1822 COc1cc(c(cc1Cl)NC(=O)C)OC 22a_100000212179_100000070787 [0,1,0,0,0,0|3,0,0]=4 272 B15R1.1822 COc1cc(c(cc1Cl)NC(=O)C)OC 527a_100000212179_100103153847 [0,1,0,0,0,0|3,0,0]=4 273 B15R1.1822 COc1cc(c(cc1F)NC(=O)C)OC 11a_100000762594_100015343762 [0,1,0,0,0,0|3,0,0]=4 274 B15R1.1822 COc1cc(c(cc1F)NC(=O)C)OC 1626a_100000762594_100015343762 [0,1,0,0,0,0|3,0,0]=4 275 B15R1.1822 COc1cc(c(cc1F)NC(=O)C)OC 22a_100000762594_100000070787 [0,1,0,0,0,0|3,0,0]=4 276 B15R1.1822 COc1cc(c(cc1F)NC(=O)C)OC 527a_100000762594_100103153847 [0,1,0,0,0,0|3,0,0]=4 277 B15R1.1822 COc1cc(c(cc1NC(=O)C)F)C#N 11a_200010892158_100015343762 [0,1,0,0,0,0|2,0,1]=4 278 B15R1.1822 COc1cc(c(cc1NC(=O)C)F)C#N 1626a_200010892158_100015343762 [0,1,0,0,0,0|2,0,1]=4 279 B15R1.1822 COc1cc(c(cc1OC(=O)C)O)C=O 271570a_203496583355_100009814921 [0,1,0,0,0,0|0,0,0]=1 280 B15R1.1822 COc1cc(c(cc1OC(C)C)O)C=O 271570a_203496583355_100009820898 [0,1,0,0,0,0|1,0,1]=3 281 B15R1.1822 COc1cc(c(cc1SC(C)C)F)C=O 62a_100000210206_100000695681 [0,1,0,0,0,0|1,1,1]=4 282 B15R1.1822 COc1cc(c(cc1SC(C)C)F)C=O 62a_100000695681_100000210206 [0,1,0,0,0,0|1,1,1]=4 283 B15R1.1822 COc1cc(c(cc1SC(C)C)O)C=O 62a_100000210206_100010762608 [0,1,0,0,0,0|1,1,1]=4 284 B15R1.1822 COc1cc(c(cc1SC(C)C)O)C=O 62a_100010762608_100000210206 [0,1,0,0,0,0|1,1,1]=4 285 B15R1.1874 COc1c(ccc(c1F)C=O)C=C(C)C 271570a_100102525489_200010981996 [0,1,0,0,0,0|2,0,0]=3 286 B15R1.1874 COc1c(ccc(c1F)C=O)SC(C)C 62a_100000210206_200010981996 [0,1,0,0,0,0|1,1,1]=4 287 B15R1.1874 COc1c(ccc(c1F)C=O)SC(C)C 62a_200010981996_100000210206 [0,1,0,0,0,0|1,1,1]=4 288 B15R1.1874 COc1ccc(c(c1F)OC)NC(=O)C 11a_100000070076_100015343762 [0,1,0,0,0,0|3,0,0]=4 289 B15R1.1874 COc1ccc(c(c1F)OC)NC(=O)C 1626a_100000070076_100015343762 [0,1,0,0,0,0|3,0,0]=4 290 B15R1.1874 COc1ccc(c(c1F)OC)NC(=O)C 22a_100000070076_100000070787 [0,1,0,0,0,0|3,0,0]=4 291 B15R1.1874 COc1ccc(c(c1F)OC)NC(=O)C 527a_100000070076_100103153847 [0,1,0,0,0,0|3,0,0]=4 292 B15R1.1901 C=Cc1ccc(c(c1)OC)OC(C)(C)C 34a_100011217988_100000210625 [0,1,0,0,0,0|2,0,1]=4 293 B15R1.1901 COc1cc(ccc1SC(C)(C)C)C=O 62a_100000211941_100010244714 [0,1,0,0,0,0|1,1,1]=4 294 B15R1.1901 COc1cc(ccc1SC(C)(C)C)C=O 62a_100010244714_100000211941 [0,1,0,0,0,0|1,1,1]=4 295 B15R1.1902 C#CC(C)Oc1ccc(cc1OC)C=C 34a_100011217988_200000035995 [0,1,0,0,0,0|2,0,1]=4 296 B15R1.1902 C#CC(C)Sc1ccc(cc1OC)C=O 62a_200000035995_100010244714 [0,1,0,0,0,0|1,1,1]=4 297 B15R1.1902 C=CC(C)Sc1ccc(cc1OC)C=O 62a_100011215867_100010244714 [0,1,0,0,0,0|1,1,1]=4 298 B15R1.1902 C=Cc1ccc(c(c1)OC)OC(C)CC 34a_100011217988_100011215416 [0,1,0,0,0,0|2,0,1]=4 299 B15R1.1902 C=Cc1ccc(c(c1)OC)OC(C)CO 34a_100011217988_100012180447 [0,1,0,0,0,0|1,0,2]=4 300 B15R1.1902 CCC(=O)Cc1ccc(cc1OC)OC 1458a_100000195418_100000210202 [0,1,0,0,0,0|3,0,0]=4 301 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)C#N 11a_100000701993_100000210414 [0,1,0,0,0,0|2,0,1]=4 302 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)C#N 1626a_100000701993_100000210414 [0,1,0,0,0,0|2,0,1]=4 303 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)C#N 22a_100000701993_100000210414 [0,1,0,0,0,0|2,0,1]=4 304 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)C#N 527a_100000701993_100000210414 [0,1,0,0,0,0|2,0,1]=4 305 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)CO 22a_100000087641_100000210414 [0,1,0,0,0,0|1,0,2]=4 306 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)NC 34a_100015187003_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)NC 7a_100015187003_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)N[13CH3] 34a_100015187003_200025704644 [0,1,0,0,0,0|3,0,0]=4 309 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)N[13CH3] 7a_100015187003_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)OC 11a_100000211191_100000210414 [0,1,0,0,0,0|3,0,0]=4 311 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)OC 1626a_100000211191_100000210414 [0,1,0,0,0,0|3,0,0]=4 312 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)OC 22a_100000211191_100000210414 [0,1,0,0,0,0|3,0,0]=4 313 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)OC 527a_100000211191_100000210414 [0,1,0,0,0,0|3,0,0]=4 314 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)SC 11a_100000766855_100000210414 [0,1,0,0,0,0|3,0,0]=4 315 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)SC 22a_100000766855_100000210414 [0,1,0,0,0,0|3,0,0]=4 316 B15R1.1902 CCC(=O)Nc1ccc(cc1OC)SC 527a_100000766855_100000210414 [0,1,0,0,0,0|3,0,0]=4 317 B15R1.1902 CCC(C)Sc1ccc(cc1OC)C=O 62a_100000758301_100010244714 [0,1,0,0,0,0|1,1,1]=4 318 B15R1.1902 CCC(C)Sc1ccc(cc1OC)C=O 62a_100010244714_100000758301 [0,1,0,0,0,0|1,1,1]=4 319 B15R1.1902 CNC(=O)Cc1ccc(cc1OC)OC 11a_106832991635_100000195418 [0,1,0,0,0,0|3,0,0]=4 320 B15R1.1902 CNC(=O)Cc1ccc(cc1OC)OC 1626a_100102657272_100000195418 [0,1,0,0,0,0|3,0,0]=4 321 B15R1.1902 CNC(=O)Cc1ccc(cc1OC)OC 240690a_100102657272_100000195418 [0,1,0,0,0,0|3,0,0]=4 322 B15R1.1902 CNC(=O)Cc1ccc(cc1OC)OC 527a_100102657272_100000195418 [0,1,0,0,0,0|3,0,0]=4 323 B15R1.1902 CNC(=O)Nc1ccc(cc1OC)C#N 2430a_100000701993_100102657272 [0,1,0,0,0,0|2,0,1]=4 324 B15R1.1902 CNC(=O)Nc1ccc(cc1OC)C#N 512a_100000701993_100102657272 [0,1,0,0,0,0|2,0,1]=4 325 B15R1.1902 CNC(=O)Nc1ccc(cc1OC)OC 2430a_100000211191_100102657272 [0,1,0,0,0,0|3,0,0]=4 326 B15R1.1902 CNC(=O)Nc1ccc(cc1OC)SC 2430a_100000766855_100102657272 [0,1,0,0,0,0|3,0,0]=4 327 B15R1.1902 COc1cc(ccc1NC(=O)CO)C#N 22a_100000701993_100000210174 [0,1,0,0,0,0|2,0,1]=4 328 B15R1.1902 COc1cc(ccc1NC(=O)CO)C#N 527a_100000701993_100000210174 [0,1,0,0,0,0|2,0,1]=4 329 B15R1.1902 COc1cc(ccc1NC(=O)CO)CO 22a_100000087641_100000210174 [0,1,0,0,0,0|1,0,2]=4 330 B15R1.1902 COc1cc(ccc1NC(=O)CO)SC 22a_100000766855_100000210174 [0,1,0,0,0,0|3,0,0]=4 331 B15R1.1902 COc1cc(ccc1NC(=O)CO)SC 527a_100000766855_100000210174 [0,1,0,0,0,0|3,0,0]=4 332 B15R1.1902 COc1cc(ccc1SC(C)C#N)C=O 62a_100000703298_100010244714 [0,1,0,0,0,0|1,1,1]=4 333 B15R1.1902 COc1cc(ccc1SC(C)C#N)C=O 62a_100010244714_100000703298 [0,1,0,0,0,0|1,1,1]=4 334 B15R1.1902 COc1cc(ccc1SC(C)CO)C=O 62a_100012180447_100010244714 [0,1,0,0,0,0|0,1,2]=4 335 B15R1.1902 COc1cc(ccc1SC(C)OC)C=O 62a_100009879195_100010244714 [0,1,0,0,0,0|0,1,2]=4 336 B15R1.1902 COc1cc(ccc1SC(C)OC)C=O 62a_100010244714_100009879195 [0,1,0,0,0,0|0,1,2]=4 337 B15R1.1902 COc1cc(ccc1S[C@H](C)CO)C=O 62a_100010244714_100016084084 [0,1,0,0,0,0|0,1,2]=4 338 B15R1.1902 COc1cc(ccc1S[C@H](C)CO)C=O 62a_100016084084_100010244714 [0,1,0,0,0,0|0,1,2]=4 339 B15R1.1902 COc1ccc(c(c1)OC)CC(=O)CF 1458a_100000195418_100015361967 [0,1,0,0,0,0|3,0,0]=4 340 B15R1.1902 COc1ccc(c(c1)OC)NC(=O)CO 22a_100000211191_100000210174 [0,1,0,0,0,0|3,0,0]=4 341 B15R1.1902 COc1ccc(c(c1)OC)NC(=O)CO 527a_100000211191_100000210174 [0,1,0,0,0,0|3,0,0]=4 342 B15R1.1903 COc1cc(ccc1C(=C(C)C)C)C=O 271570a_200000049429_100010244714 [0,1,0,0,0,0|2,0,0]=3 343 B15R1.1927 C=C(C)c1cc(ccc1OC(C)C)C=O 271570a_100000694244_200000173091 [0,1,0,0,0,0|2,0,1]=4 344 B15R1.9239 CC(C)Oc1ccc(cc1SCF)C=O 62a_100015361967_200000173091 [0,1,0,0,0,0|1,1,1]=4 345 B15R1.9239 CC(C)Oc1ccc(cc1SCF)C=O 62a_200000173091_100015361967 [0,1,0,0,0,0|1,1,1]=4 346 B15R1.9239 CC=Cc1cc(ccc1OC(C)C)C=O 271570a_100016259895_200000173091 [0,1,0,0,0,0|2,0,1]=4 347 B15R1.9239 CCOc1cc(ccc1C=C(C)C)C=O 271570a_100102525489_200010381951 [0,1,0,0,0,0|2,0,0]=3 348 B15R1.9239 CCOc1cc(ccc1NC(=O)C)NC 34a_100000087593_200000210301 [0,1,0,0,0,0|3,0,0]=4 349 B15R1.9239 CCOc1cc(ccc1NC(=O)C)NC 7a_100000087593_200000210301 [0,1,0,0,0,0|3,0,0]=4 350 B15R1.9239 CCOc1cc(ccc1NC(=O)C)N[13CH3] 34a_100000087593_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B15R1.9239 CCOc1cc(ccc1NC(=O)C)N[13CH3] 7a_100000087593_200025704644 [0,1,0,0,0,0|3,0,0]=4 352 B15R1.9239 CCOc1cc(ccc1SC(C)C)C=O 62a_100000210206_200010381951 [0,1,0,0,0,0|1,1,1]=4 353 B15R1.9239 CCOc1cc(ccc1SC(C)C)C=O 62a_200010381951_100000210206 [0,1,0,0,0,0|1,1,1]=4 354 B15R1.9239 CCSc1cc(ccc1OC(C)C)C=O 62a_100000210202_200000173091 [0,1,0,0,0,0|1,1,1]=4 355 B15R1.9239 CCSc1cc(ccc1OC(C)C)C=O 62a_200000173091_100000210202 [0,1,0,0,0,0|1,1,1]=4 356 B15R2.2311 C=Cc1ccc2c(c1)CCN2C(=O)C 271570a_100011290941_100000215927 [0,0,0,1,0,0|3,0,0]=4 357 B15R2.5255 C=Cc1ccc(c(c1)OC)OC2CC2 34a_100011217988_100000211595 [0,0,0,1,0,0|2,0,1]=4 358 B15R2.5255 COc1cc(ccc1SC2CC2)C=O 62a_100010244714_100000211595 [0,0,0,1,0,0|1,1,1]=4 359 B15R2.21314 C=Cc1ccc2c(c1)CCCC(=O)N2 271570a_100011290941_100000694693 [0,0,0,1,0,0|3,0,0]=4 360 B15R2.21314 C=Cc1ccc2c(c1)NCCC(=O)N2 271570a_100011290941_200012359944 [0,0,0,1,0,0|3,0,0]=4 361 B13R1.99 C=C(C)c1ccc(cc1C#N)C=O 271570a_100000694244_100010128726 [0,0,0,0,1,0|3,0,0]=4 362 B13R1.99 C=C(C)c1ccc(cc1CO)C=O 271570a_100000694244_100015639582 [0,0,0,0,1,0|3,0,0]=4 363 B13R1.99 C=C(C)c1ccc(cc1OC)C#N 271570a_100000694244_100012356288 [0,0,0,0,1,0|2,0,1]=4 364 B13R1.99 C=C(C)c1ccc(cc1OC)C=O 271570a_100000694244_100010244714 [0,0,0,0,1,0|1,0,0]=2 365 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [0,0,0,0,1,0|2,0,1]=4 366 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [0,0,0,0,1,0|1,0,2]=4 367 B13R1.99 C=C(C)c1ccc(cc1OC)OC 271570a_100000694244_100000750026 [0,0,0,0,1,0|3,0,0]=4 368 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,0,0,0,1,0|1,0,0]=2 369 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [0,0,0,0,1,0|2,0,0]=3 370 B13R1.99 C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100011290941_100010137934 [0,0,0,0,1,0|2,0,0]=3 371 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200011298039_200025704644 [0,0,0,0,1,0|2,1,0]=4 372 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200025704644_200011298039 [0,0,0,0,1,0|2,1,0]=4 373 B13R1.99 COc1cc(ccc1C(=O)C)C#N 1458a_100012002740_200000210301 [0,0,0,0,1,0|1,0,1]=3 374 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,0,0,0,1,0|2,0,0]=3 375 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,0,0,0,1,0|2,0,0]=3 376 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [0,0,0,0,1,0|2,0,0]=3 377 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [0,0,0,0,1,0|2,0,0]=3 378 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [0,0,0,0,1,0|2,0,0]=3 379 B13R1.99 COc1cc(ccc1C(=O)N)SC 62a_100000748320_200000210301 [0,0,0,0,1,0|3,0,0]=4 380 B13R1.99 COc1cc(ccc1C(=O)N)S[13CH3] 62a_100000748320_200025704644 [0,0,0,0,1,0|3,0,0]=4 381 B13R1.99 COc1cc(ccc1C(=O)[13CH3])C#N 1458a_100012002740_200025704644 [0,0,0,0,1,0|1,0,1]=3 382 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [0,0,0,0,1,0|2,0,0]=3 383 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_100010137934_200000210301 [0,0,0,0,1,0|3,0,0]=4 384 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_200000210301_100010137934 [0,0,0,0,1,0|3,0,0]=4 385 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_100010137934_200025704644 [0,0,0,0,1,0|3,0,0]=4 386 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_200025704644_100010137934 [0,0,0,0,1,0|3,0,0]=4 387 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,0,0,0,1,0|2,0,0]=3 388 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,0,0,0,1,0|2,0,0]=3 389 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,0,0,0,1,0|2,0,0]=3 390 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,0,0,0,1,0|2,0,0]=3 391 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,0,0,0,1,0|2,0,0]=3 392 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 34a_100000185031_200000210301 [0,0,0,0,1,0|3,0,0]=4 393 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 7a_100000185031_200000210301 [0,0,0,0,1,0|3,0,0]=4 394 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,0,0,0,1,0|2,0,0]=3 395 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,0,0,0,1,0|2,0,0]=3 396 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,0,0,0,1,0|2,0,0]=3 397 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000185031_200025704644 [0,0,0,0,1,0|3,0,0]=4 398 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000185031_200025704644 [0,0,0,0,1,0|3,0,0]=4 399 B13R1.99 COc1ccc(c(c1)SC)C(=O)C 62a_100000697255_200000210301 [0,0,0,0,1,0|2,1,0]=4 400 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)C 62a_100000697255_200025704644 [0,0,0,0,1,0|2,1,0]=4 401 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200000210301_200011298039 [0,0,0,0,1,0|2,1,0]=4 402 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200011298039_200000210301 [0,0,0,0,1,0|2,1,0]=4 403 B15R1.1904 C=C(C)COc1ccc(cc1OC)C#N 34a_100000184589_100000748629 [0,0,0,0,0,1|2,0,1]=4 404 B15R1.1904 C=C(C)COc1ccc(cc1OC)C#N 7a_100000184589_100000748629 [0,0,0,0,0,1|2,0,1]=4 405 B15R1.1904 C=C(C)COc1ccc(cc1OC)CC 34a_100000186467_100000748629 [0,0,0,0,0,1|2,0,1]=4 406 B15R1.1904 C=C(C)COc1ccc(cc1OC)CC 7a_100000186467_100000748629 [0,0,0,0,0,1|2,0,1]=4 407 B15R1.1904 C=C(C)COc1ccc(cc1OC)CN 34a_100000185554_100000748629 [0,0,0,0,0,1|2,0,1]=4 408 B15R1.1904 C=C(C)COc1ccc(cc1OC)OC 34a_100009840267_100000748629 [0,0,0,0,0,1|3,0,0]=4 409 B15R1.1904 C=C(C)CSc1ccc(cc1OC)C=O 62a_100000748629_100010244714 [0,0,0,0,0,1|1,1,0]=3 410 B15R1.1904 C=C(C)CSc1ccc(cc1OC)C=O 62a_100010244714_100000211660 [0,0,0,0,0,1|1,1,0]=3 411 B15R1.1904 C=C(F)CSc1ccc(cc1OC)C=O 62a_100000042424_100010244714 [0,0,0,0,0,1|1,1,1]=4 412 B15R1.1904 C=C(F)CSc1ccc(cc1OC)C=O 62a_100010244714_100000042424 [0,0,0,0,0,1|1,1,1]=4 413 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=C)C 34a_100011217988_100000748629 [0,0,0,0,0,1|2,0,0]=3 414 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=C)F 34a_100011217988_100009893438 [0,0,0,0,0,1|2,0,1]=4 415 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=O)N 34a_100011217988_100000187820 [0,0,0,0,0,1|2,0,0]=3 416 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100011217988_100020667443 [0,0,0,0,0,1|2,0,0]=3 417 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(C)C 34a_100011217988_100000210624 [0,0,0,0,0,1|2,0,1]=4 418 B15R1.1904 C=Cc1ccc(c(c1)OC)OCC(C)O 34a_100011217988_100011218427 [0,0,0,0,0,1|1,0,2]=4 419 B15R1.1904 C=Cc1ccc(c(c1)OC)OC[C@@H](C)O 34a_100011217988_100009817552 [0,0,0,0,0,1|1,0,2]=4 420 B15R1.1904 C=Cc1ccc(c(c1)OC)OC[N+](=O)[O-] 34a_100011217988_100000761209 [0,0,0,0,0,1|3,0,0]=4 421 B15R1.1904 CC(C)COc1ccc(cc1S[13CH3])C=O 62a_200025704644_202495808110 [0,0,0,0,0,1|1,1,1]=4 422 B15R1.1904 CC(C)COc1ccc(cc1S[13CH3])C=O 62a_202495808110_200025704644 [0,0,0,0,0,1|1,1,1]=4 423 B15R1.1904 CCc1ccc(c(c1)OC)OCC(=O)N 34a_100000186467_100000187820 [0,0,0,0,0,1|2,0,1]=4 424 B15R1.1904 CCc1ccc(c(c1)OC)OCC(=O)N 7a_100000186467_100000187820 [0,0,0,0,0,1|2,0,1]=4 425 B15R1.1904 CCc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100000186467_100020667443 [0,0,0,0,0,1|2,0,1]=4 426 B15R1.1904 COc1cc(ccc1C=CC(C)C)C=O 271570a_100016257149_100010244714 [0,0,0,0,0,1|2,0,1]=4 427 B15R1.1904 COc1cc(ccc1C=CC(C)O)C=O 271570a_200011019289_100010244714 [0,0,0,0,0,1|1,0,2]=4 428 B15R1.1904 COc1cc(ccc1OCC(=O)N)C#N 34a_100000184589_100000187820 [0,0,0,0,0,1|2,0,1]=4 429 B15R1.1904 COc1cc(ccc1OCC(=O)N)C#N 7a_100000184589_100000187820 [0,0,0,0,0,1|2,0,1]=4 430 B15R1.1904 COc1cc(ccc1OCC(=O)N)CN 34a_100000185554_100000187820 [0,0,0,0,0,1|2,0,1]=4 431 B15R1.1904 COc1cc(ccc1OCC(=O)[O-])C#N 34a_100000184589_100020667443 [0,0,0,0,0,1|2,0,1]=4 432 B15R1.1904 COc1cc(ccc1OCC(=O)[O-])CN 34a_100000185554_100020667443 [0,0,0,0,0,1|2,0,1]=4 433 B15R1.1904 COc1cc(ccc1SCC(=O)N)C=O 62a_100000747473_100010244714 [0,0,0,0,0,1|1,1,0]=3 434 B15R1.1904 COc1cc(ccc1SCC(=O)N)C=O 62a_100010244714_100000747473 [0,0,0,0,0,1|1,1,0]=3 435 B15R1.1904 COc1cc(ccc1SCC(=O)[O-])C=O 62a_100010244714_100020667443 [0,0,0,0,0,1|1,1,0]=3 436 B15R1.1904 COc1cc(ccc1SCC(=O)[O-])C=O 62a_100020667443_100010244714 [0,0,0,0,0,1|1,1,0]=3 437 B15R1.1904 COc1cc(ccc1SCC(C)C)C=O 62a_100000210624_100010244714 [0,0,0,0,0,1|1,1,1]=4 438 B15R1.1904 COc1cc(ccc1SCC(C)C)C=O 62a_100010244714_100000210760 [0,0,0,0,0,1|1,1,1]=4 439 B15R1.1904 COc1cc(ccc1SCC(C)O)C=O 62a_100010244714_100011218427 [0,0,0,0,0,1|0,1,2]=4 440 B15R1.1904 COc1cc(ccc1SCC(C)O)C=O 62a_100011218427_100010244714 [0,0,0,0,0,1|0,1,2]=4 441 B15R1.1904 COc1cc(ccc1SC[C@@H](C)O)C=O 62a_100009817552_100010244714 [0,0,0,0,0,1|0,1,2]=4 442 B15R1.1904 COc1cc(ccc1SC[C@@H](C)O)C=O 62a_100010244714_100009817552 [0,0,0,0,0,1|0,1,2]=4 443 B15R1.1904 COc1cc(ccc1SC[N+](=O)[O-])C=O 62a_100010244714_100000761209 [0,0,0,0,0,1|2,1,0]=4 444 B15R1.1904 COc1ccc(c(c1)OC)C=CC(=O)C 1458a_100000211080_200000210301 [0,0,0,0,0,1|3,0,0]=4 445 B15R1.1904 COc1ccc(c(c1)OC)C=CC(=O)[13CH3] 1458a_100000211080_200025704644 [0,0,0,0,0,1|3,0,0]=4 446 B15R1.1904 COc1ccc(c(c1)OC)CCC(=O)C 1458a_100011217809_200000210301 [0,0,0,0,0,1|3,0,0]=4 447 B15R1.1904 COc1ccc(c(c1)OC)CCC(=O)[13CH3] 1458a_100011217809_200025704644 [0,0,0,0,0,1|3,0,0]=4 448 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 11a_100000737765_100015343762 [0,0,0,0,0,1|3,0,0]=4 449 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 1626a_100000737765_100015343762 [0,0,0,0,0,1|3,0,0]=4 450 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 240690a_100000737765_100015343762 [0,0,0,0,0,1|3,0,0]=4 451 B15R1.1904 COc1ccc(c(c1)OC)CNC(=O)C 527a_100000737765_100103153847 [0,0,0,0,0,1|3,0,0]=4 452 B15R1.1904 COc1ccc(c(c1)OC)OCC(=O)N 34a_100009840267_100000187820 [0,0,0,0,0,1|3,0,0]=4 453 B15R1.1904 COc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100009840267_100020667443 [0,0,0,0,0,1|3,0,0]=4 454 B15R1.1904 CSc1cc(ccc1OCC(C)C)C=O 62a_200000210301_202495808110 [0,0,0,0,0,1|1,1,1]=4 455 B15R1.1904 CSc1cc(ccc1OCC(C)C)C=O 62a_202495808110_200000210301 [0,0,0,0,0,1|1,1,1]=4 456 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [2,0,0,0,0,0|1,0,1]=4 457 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [2,0,0,0,0,0|1,1,0]=4 458 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [2,0,0,0,0,0|1,1,0]=4 459 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [2,0,0,0,0,0|2,0,0]=4 460 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [2,0,0,0,0,0|1,0,0]=3 461 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [2,0,0,0,0,0|1,0,0]=3 462 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [2,0,0,0,0,0|1,1,0]=4 463 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [2,0,0,0,0,0|2,0,0]=4 464 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [2,0,0,0,0,0|2,0,0]=4 465 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [2,0,0,0,0,0|0,1,0]=3 466 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [2,0,0,0,0,0|0,1,0]=3 467 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [2,0,0,0,0,0|1,1,0]=4 468 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [2,0,0,0,0,0|1,1,0]=4 469 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [2,0,0,0,0,0|1,0,1]=4 470 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [2,0,0,0,0,0|1,0,1]=4 471 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [2,0,0,0,0,0|2,0,0]=4 472 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [2,0,0,0,0,0|2,0,0]=4 473 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [2,0,0,0,0,0|2,0,0]=4 474 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [2,0,0,0,0,0|2,0,0]=4 475 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [2,0,0,0,0,0|2,0,0]=4 476 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [2,0,0,0,0,0|2,0,0]=4 477 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [2,0,0,0,0,0|1,0,0]=3 478 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [2,0,0,0,0,0|1,0,0]=3 479 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [2,0,0,0,0,0|1,0,0]=3 480 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [2,0,0,0,0,0|1,0,0]=3 481 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [2,0,0,0,0,0|1,0,0]=3 482 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [2,0,0,0,0,0|1,0,0]=3 483 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [2,0,0,0,0,0|1,0,0]=3 484 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [2,0,0,0,0,0|1,0,0]=3 485 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [2,0,0,0,0,0|1,0,0]=3 486 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [2,0,0,0,0,0|1,0,1]=4 487 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [2,0,0,0,0,0|1,0,1]=4 488 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [2,0,0,0,0,0|1,0,1]=4 489 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [2,0,0,0,0,0|2,0,0]=4 490 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [2,0,0,0,0,0|2,0,0]=4 491 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [2,0,0,0,0,0|2,0,0]=4 492 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [2,0,0,0,0,0|2,0,0]=4 493 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [2,0,0,0,0,0|1,1,0]=4 494 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [2,0,0,0,0,0|1,1,0]=4 495 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [2,0,0,0,0,0|1,1,0]=4 496 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [2,0,0,0,0,0|1,1,0]=4 497 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [2,0,0,0,0,0|1,1,0]=4 498 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [2,0,0,0,0,0|1,1,0]=4 499 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [2,0,0,0,0,0|0,1,0]=3 500 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [2,0,0,0,0,0|0,1,0]=3 501 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [2,0,0,0,0,0|1,1,0]=4 502 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [2,0,0,0,0,0|1,1,0]=4 503 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [2,0,0,0,0,0|2,0,0]=4 504 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [2,0,0,0,0,0|1,0,1]=4 505 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [2,0,0,0,0,0|2,0,0]=4 506 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [2,0,0,0,0,0|2,0,0]=4 507 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [2,0,0,0,0,0|2,0,0]=4 508 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [2,0,0,0,0,0|1,0,1]=4 509 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [2,0,0,0,0,0|1,0,1]=4 510 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [2,0,0,0,0,0|1,0,1]=4 511 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [2,0,0,0,0,0|0,0,2]=4 512 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [2,0,0,0,0,0|1,0,1]=4 513 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [2,0,0,0,0,0|1,0,1]=4 514 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [2,0,0,0,0,0|1,0,1]=4 515 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [2,0,0,0,0,0|1,0,1]=4 516 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [2,0,0,0,0,0|1,0,1]=4 517 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [2,0,0,0,0,0|0,0,2]=4 518 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [2,0,0,0,0,0|2,0,0]=4 519 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [2,0,0,0,0,0|2,0,0]=4 520 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [2,0,0,0,0,0|1,0,1]=4 521 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [2,0,0,0,0,0|1,0,1]=4 522 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [2,0,0,0,0,0|2,0,0]=4 523 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [2,0,0,0,0,0|2,0,0]=4 524 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [2,0,0,0,0,0|2,0,0]=4 525 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [2,0,0,0,0,0|2,0,0]=4 526 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [2,0,0,0,0,0|2,0,0]=4 527 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [2,0,0,0,0,0|2,0,0]=4 528 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [2,0,0,0,0,0|2,0,0]=4 529 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [2,0,0,0,0,0|1,0,1]=4 530 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [2,0,0,0,0,0|1,0,1]=4 531 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [2,0,0,0,0,0|1,0,1]=4 532 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [2,0,0,0,0,0|1,0,1]=4 533 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [2,0,0,0,0,0|2,0,0]=4 534 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [2,0,0,0,0,0|2,0,0]=4 535 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [2,0,0,0,0,0|2,0,0]=4 536 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [2,0,0,0,0,0|2,0,0]=4 537 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [2,0,0,0,0,0|2,0,0]=4 538 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [2,0,0,0,0,0|2,0,0]=4 539 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [2,0,0,0,0,0|2,0,0]=4 540 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [2,0,0,0,0,0|2,0,0]=4 541 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [2,0,0,0,0,0|2,0,0]=4 542 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [2,0,0,0,0,0|2,0,0]=4 543 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [2,0,0,0,0,0|1,0,1]=4 544 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [2,0,0,0,0,0|1,0,1]=4 545 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [2,0,0,0,0,0|1,0,1]=4 546 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [2,0,0,0,0,0|2,0,0]=4 547 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [2,0,0,0,0,0|2,0,0]=4 548 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [2,0,0,0,0,0|2,0,0]=4 549 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [2,0,0,0,0,0|1,0,1]=4 550 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [2,0,0,0,0,0|1,0,1]=4 551 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [2,0,0,0,0,0|1,0,1]=4 552 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [2,0,0,0,0,0|2,0,0]=4 553 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [2,0,0,0,0,0|2,0,0]=4 554 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [2,0,0,0,0,0|2,0,0]=4 555 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [2,0,0,0,0,0|2,0,0]=4 556 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [2,0,0,0,0,0|2,0,0]=4 557 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [2,0,0,0,0,0|2,0,0]=4 558 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [2,0,0,0,0,0|2,0,0]=4 559 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [2,0,0,0,0,0|1,0,1]=4 560 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [2,0,0,0,0,0|1,0,1]=4 561 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [2,0,0,0,0,0|1,0,1]=4 562 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [2,0,0,0,0,0|2,0,0]=4 563 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [2,0,0,0,0,0|2,0,0]=4 564 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [2,0,0,0,0,0|1,0,1]=4 565 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [2,0,0,0,0,0|2,0,0]=4 566 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [2,0,0,0,0,0|2,0,0]=4 567 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [2,0,0,0,0,0|2,0,0]=4 568 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [2,0,0,0,0,0|2,0,0]=4 569 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [2,0,0,0,0,0|2,0,0]=4 570 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [2,0,0,0,0,0|2,0,0]=4 571 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [2,0,0,0,0,0|2,0,0]=4 572 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [2,0,0,0,0,0|2,0,0]=4 573 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [2,0,0,0,0,0|1,0,0]=3 574 B12R1.4 C=Cc1ccc(cc1)OC(=S)C 271570a_100011290941_200009816735 [2,0,0,0,0,0|1,1,0]=4 575 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [2,0,0,0,0,0|1,1,0]=4 576 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [2,0,0,0,0,0|2,0,0]=4 577 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [2,0,0,0,0,0|1,0,0]=3 578 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [2,0,0,0,0,0|2,0,0]=4 579 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [2,0,0,0,0,0|2,0,0]=4 580 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [2,0,0,0,0,0|1,0,1]=4 581 B12R1.114 CC=Cc1ccc(cc1C)C=O 271570a_100016259895_100000765772 [2,0,0,0,0,0|1,0,0]=3 582 B12R1.114 CC=Cc1ccc(cc1F)C=O 271570a_100016259895_100000686674 [2,0,0,0,0,0|2,0,0]=4 583 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [2,0,0,0,0,0|1,0,0]=3 584 B12R1.114 CC=Cc1ccc(nc1C)C=O 271570a_100016259895_100010238520 [2,0,0,0,0,0|2,0,0]=4 585 B12R1.114 CC=Cc1cnc(cc1C)C=O 271570a_100016259895_100009814806 [2,0,0,0,0,0|2,0,0]=4 586 B12R1.114 CC=Cc1ncc(cc1C)C=O 271570a_100016259895_100000070293 [2,0,0,0,0,0|2,0,0]=4 587 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [2,0,0,0,0,0|0,0,1]=3 588 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [2,0,0,0,0,0|0,1,1]=4 589 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [2,0,0,0,0,0|0,1,1]=4 590 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [2,0,0,0,0,0|0,1,1]=4 591 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [2,0,0,0,0,0|0,1,1]=4 592 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [2,0,0,0,0,0|1,0,1]=4 593 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [2,0,0,0,0,0|1,0,1]=4 594 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [2,0,0,0,0,0|2,0,0]=4 595 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [2,0,0,0,0,0|2,0,0]=4 596 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [2,0,0,0,0,0|1,0,0]=3 597 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [2,0,0,0,0,0|1,0,1]=4 598 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [2,0,0,0,0,0|1,0,0]=3 599 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [2,0,0,0,0,0|1,0,0]=3 600 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [2,0,0,0,0,0|1,0,0]=3 601 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [2,0,0,0,0,0|1,1,0]=4 602 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [2,0,0,0,0,0|1,1,0]=4 603 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [2,0,0,0,0,0|2,0,0]=4 604 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [2,0,0,0,0,0|2,0,0]=4 605 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [2,0,0,0,0,0|0,0,1]=3 606 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [2,0,0,0,0,0|2,0,0]=4 607 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [2,0,0,0,0,0|2,0,0]=4 608 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [2,0,0,0,0,0|1,0,1]=4 609 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [2,0,0,0,0,0|1,0,1]=4 610 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [2,0,0,0,0,0|1,0,1]=4 611 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [2,0,0,0,0,0|1,0,1]=4 612 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [2,0,0,0,0,0|1,0,1]=4 613 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [2,0,0,0,0,0|1,0,1]=4 614 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [2,0,0,0,0,0|1,0,1]=4 615 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [2,0,0,0,0,0|1,0,1]=4 616 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [2,0,0,0,0,0|2,0,0]=4 617 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [2,0,0,0,0,0|1,1,0]=4 618 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [2,0,0,0,0,0|1,1,0]=4 619 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [2,0,0,0,0,0|1,1,0]=4 620 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [2,0,0,0,0,0|1,1,0]=4 621 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [2,0,0,0,0,0|2,0,0]=4 622 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [2,0,0,0,0,0|2,0,0]=4 623 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [2,0,0,0,0,0|2,0,0]=4 624 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [2,0,0,0,0,0|2,0,0]=4 625 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [2,0,0,0,0,0|1,0,1]=4 626 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [2,0,0,0,0,0|1,0,1]=4 627 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [2,0,0,0,0,0|1,0,1]=4 628 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [2,0,0,0,0,0|0,1,0]=3 629 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [2,0,0,0,0,0|0,1,0]=3 630 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [2,0,0,0,0,0|0,1,0]=3 631 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [2,0,0,0,0,0|0,1,0]=3 632 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [2,0,0,0,0,0|2,0,0]=4 633 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [2,0,0,0,0,0|2,0,0]=4 634 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [2,0,0,0,0,0|2,0,0]=4 635 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [2,0,0,0,0,0|2,0,0]=4 636 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [2,0,0,0,0,0|2,0,0]=4 637 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [2,0,0,0,0,0|1,0,1]=4 638 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [2,0,0,0,0,0|1,0,1]=4 639 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [2,0,0,0,0,0|1,0,1]=4 640 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [2,0,0,0,0,0|1,0,1]=4 641 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [2,0,0,0,0,0|1,0,1]=4 642 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [2,0,0,0,0,0|1,0,1]=4 643 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [2,0,0,0,0,0|0,0,2]=4 644 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [2,0,0,0,0,0|2,0,0]=4 645 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [2,0,0,0,0,0|2,0,0]=4 646 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [2,0,0,0,0,0|2,0,0]=4 647 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [2,0,0,0,0,0|2,0,0]=4 648 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [2,0,0,0,0,0|1,0,1]=4 649 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [2,0,0,0,0,0|1,0,1]=4 650 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [2,0,0,0,0,0|1,0,1]=4 651 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [2,0,0,0,0,0|0,0,2]=4 652 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [2,0,0,0,0,0|0,1,0]=3 653 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [2,0,0,0,0,0|0,1,0]=3 654 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [2,0,0,0,0,0|0,1,0]=3 655 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [2,0,0,0,0,0|0,1,0]=3 656 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [2,0,0,0,0,0|1,1,0]=4 657 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [2,0,0,0,0,0|1,1,0]=4 658 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [2,0,0,0,0,0|1,1,0]=4 659 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [2,0,0,0,0,0|1,1,0]=4 660 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [2,0,0,0,0,0|1,1,0]=4 661 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [2,0,0,0,0,0|1,1,0]=4 662 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [2,0,0,0,0,0|1,1,0]=4 663 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [2,0,0,0,0,0|1,1,0]=4 664 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [2,0,0,0,0,0|1,1,0]=4 665 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [2,0,0,0,0,0|1,1,0]=4 666 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [2,0,0,0,0,0|1,1,0]=4 667 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [2,0,0,0,0,0|1,1,0]=4 668 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [2,0,0,0,0,0|0,1,0]=3 669 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [2,0,0,0,0,0|0,1,0]=3 670 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [2,0,0,0,0,0|0,1,0]=3 671 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [2,0,0,0,0,0|0,1,0]=3 672 B14R1.368 COc1cc(cc(c1NC(=O)C)Br)Br 11a_100010253907_100015343762 [1,1,0,0,0,0|2,0,0]=4 673 B14R1.368 COc1cc(cc(c1NC(=O)C)Br)Cl 11a_200010138668_100015343762 [1,1,0,0,0,0|2,0,0]=4 674 B14R1.368 COc1cc(cc(c1NC(=O)C)Br)Cl 1626a_200010138668_100015343762 [1,1,0,0,0,0|2,0,0]=4 675 B14R1.368 COc1cc(cc(c1NC(=O)C)Br)F 11a_100011004115_100015343762 [1,1,0,0,0,0|2,0,0]=4 676 B14R1.368 COc1cc(cc(c1NC(=O)C)Br)F 1626a_100011004115_100015343762 [1,1,0,0,0,0|2,0,0]=4 677 B14R1.368 COc1cc(cc(c1NC(=O)C)C)Br 11a_100000741850_100015343762 [1,1,0,0,0,0|2,0,0]=4 678 B14R1.368 COc1cc(cc(c1NC(=O)C)C)Br 1626a_100000741850_100015343762 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.368 COc1cc(cc(c1NC(=O)C)C)Br 22a_100000741850_100000070787 [1,1,0,0,0,0|2,0,0]=4 680 B14R1.368 COc1cc(cc(c1NC(=O)C)Cl)Cl 11a_100009955935_100015343762 [1,1,0,0,0,0|2,0,0]=4 681 B14R1.368 COc1cc(cc(c1NC(=O)C)Cl)Cl 1626a_100009955935_100015343762 [1,1,0,0,0,0|2,0,0]=4 682 B14R1.368 COc1cc(cc(c1NC(=O)C)Cl)Cl 22a_100009955935_100000070787 [1,1,0,0,0,0|2,0,0]=4 683 B14R1.438 CC(=O)Nc1ccc(cc1OCF)C 34a_100000161862_100015361967 [1,1,0,0,0,0|1,0,1]=4 684 B14R1.438 CC(=O)Nc1ccc(cc1OCF)C 7a_100000161862_100015361967 [1,1,0,0,0,0|1,0,1]=4 685 B14R1.438 CCOc1cc(ccc1NC(=O)C)Br 11a_100000688918_100015343762 [1,1,0,0,0,0|2,0,0]=4 686 B14R1.438 CCOc1cc(ccc1NC(=O)C)Br 1626a_100000688918_100015343762 [1,1,0,0,0,0|2,0,0]=4 687 B14R1.438 CCOc1cc(ccc1NC(=O)C)Br 22a_100000688918_100000070787 [1,1,0,0,0,0|2,0,0]=4 688 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 11a_100000742043_100015343762 [1,1,0,0,0,0|1,0,1]=4 689 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 1626a_100000742043_100015343762 [1,1,0,0,0,0|1,0,1]=4 690 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 22a_100000742043_100000070787 [1,1,0,0,0,0|1,0,1]=4 691 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 34a_100000161862_100000210202 [1,1,0,0,0,0|1,0,1]=4 692 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 527a_100000742043_100103153847 [1,1,0,0,0,0|1,0,1]=4 693 B14R1.438 CCOc1cc(ccc1NC(=O)C)C 7a_100000161862_100000210202 [1,1,0,0,0,0|1,0,1]=4 694 B14R1.438 CCOc1cc(ccc1NC(=O)C)Cl 11a_100000687649_100015343762 [1,1,0,0,0,0|2,0,0]=4 695 B14R1.438 CCOc1cc(ccc1NC(=O)C)Cl 1626a_100000687649_100015343762 [1,1,0,0,0,0|2,0,0]=4 696 B14R1.438 CCOc1cc(ccc1NC(=O)C)Cl 22a_100000687649_100000070787 [1,1,0,0,0,0|2,0,0]=4 697 B14R1.438 CCOc1cc(ccc1NC(=O)C)F 11a_100000741351_100015343762 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.438 CCOc1cc(ccc1NC(=O)C)F 1626a_100000741351_100015343762 [1,1,0,0,0,0|2,0,0]=4 699 B14R1.438 CCOc1cc(ccc1NC(=O)C)F 22a_100000741351_100000070787 [1,1,0,0,0,0|2,0,0]=4 700 B14R1.1592 COc1cc(ccc1N(C)C(=O)C)Cl 11a_100000061351_100015343762 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.1592 COc1cc(ccc1N(C)C(=O)C)Cl 1626a_100000061351_100015343762 [1,1,0,0,0,0|2,0,0]=4 702 B14R1.1592 COc1cc(ccc1N(C)C(=O)C)F 11a_100020633920_100015343762 [1,1,0,0,0,0|2,0,0]=4 703 B14R1.1592 COc1cc(ccc1N(C)C(=O)C)F 1626a_100020633920_100015343762 [1,1,0,0,0,0|2,0,0]=4 704 B14R1.1592 COc1cc(ccc1N(C)C(=O)C)F 22a_100020633920_100000070787 [1,1,0,0,0,0|2,0,0]=4 705 B14R1.2295 COc1cc(c(cc1CC(=O)C)F)F 1458a_100000070787_100009816015 [1,1,0,0,0,0|2,0,0]=4 706 B14R1.2295 COc1cc(c(cc1NC(=O)C)Br)Cl 11a_100010380671_100015343762 [1,1,0,0,0,0|2,0,0]=4 707 B14R1.2295 COc1cc(c(cc1NC(=O)C)Br)Cl 1626a_100010380671_100015343762 [1,1,0,0,0,0|2,0,0]=4 708 B14R1.2295 COc1cc(c(cc1NC(=O)C)Br)Cl 22a_100010380671_100000070787 [1,1,0,0,0,0|2,0,0]=4 709 B14R1.2295 COc1cc(c(cc1NC(=O)C)Br)F 11a_100012361397_100015343762 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.2295 COc1cc(c(cc1NC(=O)C)Br)F 1626a_100012361397_100015343762 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.2295 COc1cc(c(cc1NC(=O)C)Br)F 22a_100012361397_100000070787 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Br 11a_100010141321_100015343762 [1,1,0,0,0,0|2,0,0]=4 713 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Br 1626a_100010141321_100015343762 [1,1,0,0,0,0|2,0,0]=4 714 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Br 22a_100010141321_100000070787 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Cl 11a_100000211396_100015343762 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Cl 1626a_100000211396_100015343762 [1,1,0,0,0,0|2,0,0]=4 717 B14R1.2295 COc1cc(c(cc1NC(=O)C)C)Cl 22a_100000211396_100000070787 [1,1,0,0,0,0|2,0,0]=4 718 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)Br 11a_100010212225_100015343762 [1,1,0,0,0,0|2,0,0]=4 719 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)Br 1626a_100010212225_100015343762 [1,1,0,0,0,0|2,0,0]=4 720 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)Br 22a_100010212225_100000070787 [1,1,0,0,0,0|2,0,0]=4 721 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)C 11a_100009868623_100015343762 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)C 1626a_100009868623_100015343762 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)C 22a_100009868623_100000070787 [1,1,0,0,0,0|1,0,1]=4 724 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)F 11a_100012186795_100015343762 [1,1,0,0,0,0|2,0,0]=4 725 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)F 1626a_100012186795_100015343762 [1,1,0,0,0,0|2,0,0]=4 726 B14R1.2295 COc1cc(c(cc1NC(=O)C)Cl)F 22a_100012186795_100000070787 [1,1,0,0,0,0|2,0,0]=4 727 B14R1.2295 COc1cc(c(cc1NC(=O)C)F)Br 11a_100012766639_100015343762 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.2295 COc1cc(c(cc1NC(=O)C)F)Br 1626a_100012766639_100015343762 [1,1,0,0,0,0|2,0,0]=4 729 B14R1.2295 COc1cc(c(cc1NC(=O)C)F)Br 22a_100012766639_100000070787 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.2295 COc1cc(c(cc1NC(=O)C)F)F 11a_100000732608_100015343762 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.2295 COc1cc(c(cc1NC(=O)C)F)F 1626a_100000732608_100015343762 [1,1,0,0,0,0|2,0,0]=4 732 B14R1.2295 COc1cc(c(cc1NC(=O)C)F)F 22a_100000732608_100000070787 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.2295 COc1cc(c(cc1NC(=O)C)I)Cl 11a_100011011177_100015343762 [1,1,0,0,0,0|2,0,0]=4 734 B14R1.2295 COc1cc(c(cc1NC(=O)C)I)Cl 1626a_100011011177_100015343762 [1,1,0,0,0,0|2,0,0]=4 735 B14R1.2295 COc1cc(c(cc1NC(=O)C)I)Cl 22a_100011011177_100000070787 [1,1,0,0,0,0|2,0,0]=4 736 B14R1.2295 COc1cc(c(cc1OC(=O)C)O)F 271570a_203496583355_206258170532 [1,1,0,0,0,0|1,0,0]=3 737 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)Br 1458a_100000210414_100012359436 [1,1,0,0,0,0|2,0,0]=4 738 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)Br 1458a_100010245118_100000210202 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)Cl 1458a_100010217541_100000210202 [1,1,0,0,0,0|2,0,0]=4 740 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)F 1458a_100000062011_100000210202 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)F 1458a_100000210414_200010171551 [1,1,0,0,0,0|2,0,0]=4 742 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br 11a_100011279103_100000210414 [1,1,0,0,0,0|2,0,0]=4 743 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br 1626a_100011279103_100000210414 [1,1,0,0,0,0|2,0,0]=4 744 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br 22a_100011279103_100000210414 [1,1,0,0,0,0|2,0,0]=4 745 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 11a_100000746441_100000210414 [1,1,0,0,0,0|1,0,1]=4 746 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 1626a_100000746441_100000210414 [1,1,0,0,0,0|1,0,1]=4 747 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 22a_100000746441_100000210414 [1,1,0,0,0,0|1,0,1]=4 748 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 527a_100000746441_100000210414 [1,1,0,0,0,0|1,0,1]=4 749 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl 11a_100000707585_100000210414 [1,1,0,0,0,0|2,0,0]=4 750 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl 1626a_100000707585_100000210414 [1,1,0,0,0,0|2,0,0]=4 751 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl 22a_100000707585_100000210414 [1,1,0,0,0,0|2,0,0]=4 752 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 11a_100000737216_100000210414 [1,1,0,0,0,0|2,0,0]=4 753 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 1626a_100000737216_100000210414 [1,1,0,0,0,0|2,0,0]=4 754 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 22a_100000737216_100000210414 [1,1,0,0,0,0|2,0,0]=4 755 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 527a_100000737216_100000210414 [1,1,0,0,0,0|2,0,0]=4 756 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)I 11a_100015196925_100000210414 [1,1,0,0,0,0|2,0,0]=4 757 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)I 1626a_100015196925_100000210414 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)I 22a_100015196925_100000210414 [1,1,0,0,0,0|2,0,0]=4 759 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)O 22a_100015326901_100000210414 [1,1,0,0,0,0|1,0,1]=4 760 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)O 527a_100015326901_100000210414 [1,1,0,0,0,0|1,0,1]=4 761 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 11a_106832991635_100010245118 [1,1,0,0,0,0|2,0,0]=4 762 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 1626a_100102657272_100010245118 [1,1,0,0,0,0|2,0,0]=4 763 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 240690a_100102657272_100010245118 [1,1,0,0,0,0|2,0,0]=4 764 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 527a_100102657272_100010245118 [1,1,0,0,0,0|2,0,0]=4 765 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 11a_106832991635_100010217541 [1,1,0,0,0,0|2,0,0]=4 766 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 1626a_100102657272_100010217541 [1,1,0,0,0,0|2,0,0]=4 767 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 240690a_100102657272_100010217541 [1,1,0,0,0,0|2,0,0]=4 768 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 527a_100102657272_100010217541 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 11a_106832991635_100000062011 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 1626a_100102657272_100000062011 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 240690a_100102657272_100000062011 [1,1,0,0,0,0|2,0,0]=4 772 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 527a_100102657272_100000062011 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)Br 2430a_100011279103_100102657272 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)C 2430a_100000746441_100102657272 [1,1,0,0,0,0|1,0,1]=4 775 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)Cl 2430a_100000707585_100102657272 [1,1,0,0,0,0|2,0,0]=4 776 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)F 2430a_100000737216_100102657272 [1,1,0,0,0,0|2,0,0]=4 777 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)I 2430a_100015196925_100102657272 [1,1,0,0,0,0|2,0,0]=4 778 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)I 512a_100015196925_100102657272 [1,1,0,0,0,0|2,0,0]=4 779 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)O 2430a_100015326901_100102657272 [1,1,0,0,0,0|1,0,1]=4 780 B14R1.3417 COC(=O)Cc1ccc(cc1OC)Br 34a_100010150832_200000210301 [1,1,0,0,0,0|2,0,0]=4 781 B14R1.3417 COC(=O)Cc1ccc(cc1OC)Br 7a_100010150832_200000210301 [1,1,0,0,0,0|2,0,0]=4 782 B14R1.3417 COC(=O)Cc1ccc(cc1O[13CH3])Br 34a_100010150832_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B14R1.3417 COC(=O)Cc1ccc(cc1O[13CH3])Br 7a_100010150832_200025704644 [1,1,0,0,0,0|2,0,0]=4 784 B14R1.3417 COc1cc(ccc1CC(=O)CF)Br 1458a_100010245118_100015361967 [1,1,0,0,0,0|2,0,0]=4 785 B14R1.3417 COc1cc(ccc1CC(=O)CF)Cl 1458a_100010217541_100015361967 [1,1,0,0,0,0|2,0,0]=4 786 B14R1.3417 COc1cc(ccc1CC(=O)CF)F 1458a_100000062011_100015361967 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.3417 COc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100012359436 [1,1,0,0,0,0|2,0,0]=4 788 B14R1.3417 COc1cc(ccc1CC(=O)CO)F 1458a_100000210174_200010171551 [1,1,0,0,0,0|2,0,0]=4 789 B14R1.3417 COc1cc(ccc1NC(=O)CO)Br 22a_100011279103_100000210174 [1,1,0,0,0,0|2,0,0]=4 790 B14R1.3417 COc1cc(ccc1NC(=O)CO)C 22a_100000746441_100000210174 [1,1,0,0,0,0|1,0,1]=4 791 B14R1.3417 COc1cc(ccc1NC(=O)CO)C 527a_100000746441_100000210174 [1,1,0,0,0,0|1,0,1]=4 792 B14R1.3417 COc1cc(ccc1NC(=O)CO)Cl 22a_100000707585_100000210174 [1,1,0,0,0,0|2,0,0]=4 793 B14R1.3417 COc1cc(ccc1NC(=O)CO)F 22a_100000737216_100000210174 [1,1,0,0,0,0|2,0,0]=4 794 B14R1.3417 COc1cc(ccc1NC(=O)CO)F 527a_100000737216_100000210174 [1,1,0,0,0,0|2,0,0]=4 795 B14R1.3417 COc1cc(ccc1NC(=O)CO)I 22a_100015196925_100000210174 [1,1,0,0,0,0|2,0,0]=4 796 B14R1.3417 COc1cc(ccc1NC(=O)CO)O 22a_100015326901_100000210174 [1,1,0,0,0,0|1,0,1]=4 797 B14R1.3417 COc1cc(ccc1NC(=O)CO)O 527a_100015326901_100000210174 [1,1,0,0,0,0|1,0,1]=4 798 B14R1.12031 COc1c(ccc(c1Br)F)NC(=O)C 11a_102516457224_100015343762 [1,1,0,0,0,0|2,0,0]=4 799 B14R1.12031 COc1c(ccc(c1Br)F)NC(=O)C 1626a_102516457224_100015343762 [1,1,0,0,0,0|2,0,0]=4 800 B14R1.12031 COc1c(ccc(c1Br)F)NC(=O)C 22a_102516457224_100000070787 [1,1,0,0,0,0|2,0,0]=4 801 B14R1.12031 COc1c(ccc(c1Br)F)NC(=O)C 527a_102516457224_100103153847 [1,1,0,0,0,0|2,0,0]=4 802 B14R1.12031 COc1c(ccc(c1F)Br)NC(=O)C 11a_100010734149_100015343762 [1,1,0,0,0,0|2,0,0]=4 803 B14R1.12031 COc1c(ccc(c1F)Br)NC(=O)C 1626a_100010734149_100015343762 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.12031 COc1c(ccc(c1F)Br)NC(=O)C 22a_100010734149_100000070787 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.12031 COc1c(ccc(c1F)Br)NC(=O)C 527a_100010734149_100103153847 [1,1,0,0,0,0|2,0,0]=4 806 B14R1.12031 COc1c(ccc(c1F)F)CC(=O)C 1458a_100015476223_200000210301 [1,1,0,0,0,0|2,0,0]=4 807 B14R1.12031 COc1c(ccc(c1F)F)CC(=O)[13CH3] 1458a_100015476223_200025704644 [1,1,0,0,0,0|2,0,0]=4 808 B14R1.12031 COc1c(ccc(c1F)F)NC(=O)C 11a_100011695293_100015343762 [1,1,0,0,0,0|2,0,0]=4 809 B14R1.12031 COc1c(ccc(c1F)F)NC(=O)C 1626a_100011695293_100015343762 [1,1,0,0,0,0|2,0,0]=4 810 B14R1.12031 COc1c(ccc(c1F)F)NC(=O)C 22a_100011695293_100000070787 [1,1,0,0,0,0|2,0,0]=4 811 B14R1.12031 COc1c(ccc(c1F)F)NC(=O)C 527a_100011695293_100103153847 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.102 CC(=C(C)c1ccc(cc1C)C=O)C 271570a_200000049429_100000765772 [1,1,0,0,0,0|2,0,0]=4 813 B14R1.102 CC(=C(C)c1ccc(cc1O)C=O)C 271570a_200000049429_100000041418 [1,1,0,0,0,0|2,0,0]=4 814 B14R1.124 C=C(C)c1ccc(c(c1)C)NC(=O)C 271570a_100000694244_100000152120 [1,1,0,0,0,0|2,0,0]=4 815 B14R1.124 C=C(C)c1ccc(c(c1)F)OC(=O)C 271570a_100000694244_100009811628 [1,1,0,0,0,0|2,0,0]=4 816 B14R1.124 CC(=Cc1ccc(cc1C)C(=O)N)C 271570a_100102525489_100011218126 [1,1,0,0,0,0|2,0,0]=4 817 B14R1.124 CC(=Cc1ccc(cc1O)C(=O)N)C 271570a_100102525489_100012344895 [1,1,0,0,0,0|2,0,0]=4 818 B14R1.124 CC(=O)Cc1ccc(cc1Br)C(=O)C 1458a_100000070787_100010884425 [1,1,0,0,0,0|2,0,0]=4 819 B14R1.124 CC(=O)Cc1ccc(cc1C)[N+](=O)[O-] 1458a_100000070787_100010218038 [1,1,0,0,0,0|2,0,0]=4 820 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)C 1458a_200000244242_200000210301 [1,1,0,0,0,0|1,0,0]=3 821 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 11a_100000746439_100015343762 [1,1,0,0,0,0|1,0,0]=3 822 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 1626a_100000746439_100015343762 [1,1,0,0,0,0|1,0,0]=3 823 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 22a_100000746439_100000070787 [1,1,0,0,0,0|1,0,0]=3 824 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)N 527a_100000746439_100103153847 [1,1,0,0,0,0|1,0,0]=3 825 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)[13CH3] 1458a_200000244242_200025704644 [1,1,0,0,0,0|1,0,0]=3 826 B14R1.124 CC(=O)Nc1ccc(cc1C)[N+](=O)[O-] 11a_100000184110_100015343762 [1,1,0,0,0,0|2,0,0]=4 827 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)C 271570a_203496583355_100009813952 [1,1,0,0,0,0|1,0,0]=3 828 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)N 22a_100011850428_100000070787 [1,1,0,0,0,0|1,0,0]=3 829 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)N 527a_100011850428_100103153847 [1,1,0,0,0,0|1,0,0]=3 830 B14R1.124 CC(=O)Nc1ccc(cc1O)[N+](=O)[O-] 22a_100000210499_100000070787 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.124 CC(=O)Nc1ccc(cc1O)[N+](=O)[O-] 527a_100000210499_100103153847 [1,1,0,0,0,0|2,0,0]=4 832 B14R1.124 CC(=O)c1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000697869 [1,1,0,0,0,0|2,0,0]=4 833 B14R1.124 CC(=O)c1ccc(c(c1)C)OC(C)C 1458a_200011734124_200000210301 [1,1,0,0,0,0|1,0,1]=4 834 B14R1.124 CC(=O)c1ccc(c(c1)C)OC(C)C 34a_100000188726_100000210206 [1,1,0,0,0,0|1,0,1]=4 835 B14R1.124 CC(=O)c1ccc(c(c1)C)OC(C)C 7a_100000188726_100000210206 [1,1,0,0,0,0|1,0,1]=4 836 B14R1.124 Cc1cc(ccc1OC(C)C)C(=O)[13CH3] 1458a_200011734124_200025704644 [1,1,0,0,0,0|1,0,1]=4 837 B14R1.490 C=C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100015277604_100000152120 [1,1,0,0,0,0|2,0,0]=4 838 B14R1.490 C=C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100015277604_100009811628 [1,1,0,0,0,0|2,0,0]=4 839 B14R1.490 CC=Cc1ccc(c(c1)C)NC(=O)C 271570a_100016259895_100000152120 [1,1,0,0,0,0|2,0,0]=4 840 B14R1.490 CC=Cc1ccc(c(c1)F)OC(=O)C 271570a_100016259895_100009811628 [1,1,0,0,0,0|2,0,0]=4 841 B14R1.560 C=Cc1cc(c(c(c1)C)OC(=O)C)C 271570a_100011290941_200009816532 [1,1,0,0,0,0|1,0,0]=3 842 B14R1.560 CC(=Cc1c(cc(cc1C)C=O)C)C 271570a_100102525489_100000102522 [1,1,0,0,0,0|2,0,0]=4 843 B14R1.560 CC(=O)Oc1c(cc(cc1C)S[13CH3])C 62a_200009816532_200025704644 [1,1,0,0,0,0|2,0,0]=4 844 B14R1.560 CC(=O)Oc1c(cc(cc1C)S[13CH3])C 62a_200025704644_200009816532 [1,1,0,0,0,0|2,0,0]=4 845 B14R1.560 CSc1cc(c(c(c1)C)OC(=O)C)C 62a_200000210301_200009816532 [1,1,0,0,0,0|2,0,0]=4 846 B14R1.560 CSc1cc(c(c(c1)C)OC(=O)C)C 62a_200009816532_200000210301 [1,1,0,0,0,0|2,0,0]=4 847 B14R1.2284 C=Cc1cc(c(cc1C)NC(=O)C)C 271570a_100011290941_100009992581 [1,1,0,0,0,0|2,0,0]=4 848 B14R1.2284 C=Cc1cc(c(cc1F)NC(=O)C)C 271570a_100011290941_200013212116 [1,1,0,0,0,0|2,0,0]=4 849 B14R1.2284 CC(=Cc1cc(c(cc1C)C=O)C)C 271570a_100102525489_100012024176 [1,1,0,0,0,0|2,0,0]=4 850 B14R1.2284 CC(=Cc1cc(c(cc1C)C=O)F)C 271570a_100102525489_100010186291 [1,1,0,0,0,0|2,0,0]=4 851 B14R1.2284 CC(=Cc1cc(c(cc1C)C=O)O)C 271570a_100102525489_200010762526 [1,1,0,0,0,0|2,0,0]=4 852 B14R1.2284 CC(=Cc1cc(c(cc1O)C=O)O)C 271570a_100102525489_100010888506 [1,1,0,0,0,0|2,0,0]=4 853 B14R1.3662 CC(=Cc1ccc(c(c1C)F)C=O)C 271570a_100102525489_100015546853 [1,1,0,0,0,0|2,0,0]=4 854 B14R1.3714 C=Cc1ccc(c(c1)O)CC(=O)OC 271570a_100011290941_100010150832 [1,1,0,0,0,0|2,0,0]=4 855 B14R1.1355 C=CCOc1ccc(cc1OC)C=C 34a_100011217988_100015514636 [1,1,0,0,0,0|1,0,1]=4 856 B14R1.1355 C=CCOc1ccc(cc1SC)C=O 62a_100000173511_200000210301 [1,1,0,0,0,0|0,1,1]=4 857 B14R1.1355 C=CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173511 [1,1,0,0,0,0|0,1,1]=4 858 B14R1.1355 C=CCOc1ccc(cc1S[13CH3])C=O 62a_100000173511_200025704644 [1,1,0,0,0,0|0,1,1]=4 859 B14R1.1355 C=CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173511 [1,1,0,0,0,0|0,1,1]=4 860 B14R1.1355 C=CCSc1ccc(cc1OC)C=O 62a_100000210623_100010244714 [1,1,0,0,0,0|0,1,1]=4 861 B14R1.1355 C=CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210623 [1,1,0,0,0,0|0,1,1]=4 862 B14R1.1355 C=Cc1ccc(c(c1)OC)OCC=O 34a_100011217988_200009817547 [1,1,0,0,0,0|1,0,0]=3 863 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCC 34a_100011217988_100000210303 [1,1,0,0,0,0|1,0,1]=4 864 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCF 34a_100011217988_100011217306 [1,1,0,0,0,0|1,0,1]=4 865 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCO 271570a_100011290941_100012347953 [1,1,0,0,0,0|1,0,1]=4 866 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCO 34a_100011217988_100000211926 [1,1,0,0,0,0|1,0,1]=4 867 B14R1.1355 C=Cc1ccc(c(c1)OC)OCSC 34a_100011217988_100011218213 [1,1,0,0,0,0|1,0,1]=4 868 B14R1.1355 CCCCc1ccc(cc1OC)C=O 271570a_100020621405_100010244714 [1,1,0,0,0,0|1,0,1]=4 869 B14R1.1355 CCCOc1ccc(cc1SC)C=O 62a_100000173362_200000210301 [1,1,0,0,0,0|0,1,1]=4 870 B14R1.1355 CCCOc1ccc(cc1SC)C=O 62a_200000210301_100000173362 [1,1,0,0,0,0|0,1,1]=4 871 B14R1.1355 CCCOc1ccc(cc1S[13CH3])C=O 62a_100000173362_200025704644 [1,1,0,0,0,0|0,1,1]=4 872 B14R1.1355 CCCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173362 [1,1,0,0,0,0|0,1,1]=4 873 B14R1.1355 CCCSc1ccc(cc1OC)C=O 62a_100000210303_100010244714 [1,1,0,0,0,0|0,1,1]=4 874 B14R1.1355 CCCSc1ccc(cc1OC)C=O 62a_100010244714_100000210303 [1,1,0,0,0,0|0,1,1]=4 875 B14R1.1355 CCc1ccc(c(c1)OC)OCC=O 34a_100000186467_200009817547 [1,1,0,0,0,0|1,0,1]=4 876 B14R1.1355 CCc1ccc(c(c1)OC)OCC=O 7a_100000186467_200015260668 [1,1,0,0,0,0|1,0,1]=4 877 B14R1.1355 COCOc1ccc(cc1SC)C=O 62a_100012265718_200000210301 [1,1,0,0,0,0|0,1,1]=4 878 B14R1.1355 COCOc1ccc(cc1SC)C=O 62a_200000210301_100012265718 [1,1,0,0,0,0|0,1,1]=4 879 B14R1.1355 COCOc1ccc(cc1S[13CH3])C=O 62a_100012265718_200025704644 [1,1,0,0,0,0|0,1,1]=4 880 B14R1.1355 COCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100012265718 [1,1,0,0,0,0|0,1,1]=4 881 B14R1.1355 COCSc1ccc(cc1OC)C=O 62a_100000766300_100010244714 [1,1,0,0,0,0|0,1,1]=4 882 B14R1.1355 COCSc1ccc(cc1OC)C=O 62a_100010244714_100000766300 [1,1,0,0,0,0|0,1,1]=4 883 B14R1.1355 COc1cc(ccc1OCC=O)C#N 34a_100000184589_200009817547 [1,1,0,0,0,0|1,0,1]=4 884 B14R1.1355 COc1cc(ccc1OCC=O)C#N 7a_100000184589_200015260668 [1,1,0,0,0,0|1,0,1]=4 885 B14R1.1355 COc1cc(ccc1OCC=O)CN 34a_100000185554_200009817547 [1,1,0,0,0,0|1,0,1]=4 886 B14R1.1355 COc1cc(ccc1SCC=O)C=O 62a_100010244714_200015260668 [1,1,0,0,0,0|0,1,0]=3 887 B14R1.1355 COc1cc(ccc1SCC=O)C=O 62a_200015260668_100010244714 [1,1,0,0,0,0|0,1,0]=3 888 B14R1.1355 COc1cc(ccc1SCCF)C=O 62a_100010244714_100011217306 [1,1,0,0,0,0|0,1,1]=4 889 B14R1.1355 COc1cc(ccc1SCCF)C=O 62a_100011217306_100010244714 [1,1,0,0,0,0|0,1,1]=4 890 B14R1.1355 COc1cc(ccc1SCCO)C=O 62a_100000211926_100010244714 [1,1,0,0,0,0|0,1,1]=4 891 B14R1.1355 COc1cc(ccc1SCCO)C=O 62a_100010244714_100000211926 [1,1,0,0,0,0|0,1,1]=4 892 B14R1.1355 COc1cc(ccc1SCSC)C=O 62a_100010244714_100011218213 [1,1,0,0,0,0|0,1,1]=4 893 B14R1.1355 COc1cc(ccc1SCSC)C=O 62a_100011218213_100010244714 [1,1,0,0,0,0|0,1,1]=4 894 B14R1.1355 COc1ccc(c(c1)OC)OCC=O 34a_100009840267_200009817547 [1,1,0,0,0,0|2,0,0]=4 895 B14R1.5210 CC=Cc1ccc(c(c1OC)F)C=O 271570a_100016259895_200010981996 [1,1,0,0,0,0|1,0,0]=3 896 B14R1.5210 CCSc1ccc(c(c1OC)F)C=O 62a_100000210202_200010981996 [1,1,0,0,0,0|0,1,1]=4 897 B14R1.5210 CCSc1ccc(c(c1OC)F)C=O 62a_200010981996_100000210202 [1,1,0,0,0,0|0,1,1]=4 898 B14R1.5236 CC=Cc1cc(ccc1OCC)C=O 271570a_100016259895_100000173028 [1,1,0,0,0,0|1,0,1]=4 899 B14R1.5236 CC=Cc1ccc(cc1OCC)C=O 271570a_100016259895_200010381951 [1,1,0,0,0,0|1,0,0]=3 900 B14R1.5236 CCOc1cc(ccc1SCC)C=O 62a_100000210202_200010381951 [1,1,0,0,0,0|0,1,1]=4 901 B14R1.5236 CCOc1cc(ccc1SCC)C=O 62a_200010381951_100000210202 [1,1,0,0,0,0|0,1,1]=4 902 B14R1.5236 CCOc1ccc(cc1SCC)C=O 62a_100000173028_100000210202 [1,1,0,0,0,0|0,1,1]=4 903 B14R1.5236 CCOc1ccc(cc1SCC)C=O 62a_100000210202_100000173028 [1,1,0,0,0,0|0,1,1]=4 904 B14R1.5236 CCOc1ccc(cc1SCF)C=O 62a_100000173028_100015361967 [1,1,0,0,0,0|0,1,1]=4 905 B14R1.5236 CCOc1ccc(cc1SCF)C=O 62a_100015361967_100000173028 [1,1,0,0,0,0|0,1,1]=4 906 B14R1.5237 C=C(C)c1cc(ccc1OCC)C=O 271570a_100000694244_100000173028 [1,1,0,0,0,0|1,0,1]=4 907 B14R1.6723 C=C(C)c1ccc(c(c1)OC)OCC 271570a_100000694244_200012344064 [1,1,0,0,0,0|1,0,1]=4 908 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)C 271570a_100016259895_100010110075 [1,1,0,0,0,0|1,0,0]=3 909 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)N 271570a_100016259895_100009817049 [1,1,0,0,0,0|1,0,0]=3 910 B14R1.6723 CCNc1ccc(cc1OC)C(=O)N 27a_100015525214_100009817049 [1,1,0,0,0,0|1,0,1]=4 911 B14R1.6723 CCNc1ccc(cc1OC)C(=O)N 34a_100011850419_100000210202 [1,1,0,0,0,0|1,0,1]=4 912 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 1458a_100000184834_200000210301 [1,1,0,0,0,0|0,0,1]=3 913 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 34a_100000186468_100000210202 [1,1,0,0,0,0|0,0,1]=3 914 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 7a_100000186468_100000210202 [1,1,0,0,0,0|0,0,1]=3 915 B14R1.6723 CCOc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000184834_200025704644 [1,1,0,0,0,0|0,0,1]=3 916 B14R1.6723 CCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000210202 [1,1,0,0,0,0|1,0,1]=4 917 B14R1.6723 CCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000210202 [1,1,0,0,0,0|1,0,1]=4 918 B14R1.6723 CCSc1ccc(cc1OC)C(=O)C 62a_100010110075_100000210202 [1,1,0,0,0,0|0,1,1]=4 919 B14R1.6723 CCSc1ccc(cc1OC)C(=O)N 62a_100009817049_100000210202 [1,1,0,0,0,0|0,1,1]=4 920 B14R1.6723 CNCc1ccc(cc1OC)C(=O)C 26a_100102657272_100000186468 [1,1,0,0,0,0|2,0,0]=4 921 B14R1.6723 CNCc1ccc(cc1OC)C(=O)[O-] 26a_100102657272_100015267463 [1,1,0,0,0,0|2,0,0]=4 922 B14R1.6723 COc1cc(ccc1OCF)C(=O)C 34a_100000186468_100015361967 [1,1,0,0,0,0|1,0,1]=4 923 B14R1.6723 COc1cc(ccc1OCF)C(=O)C 7a_100000186468_100015361967 [1,1,0,0,0,0|1,0,1]=4 924 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [1,1,0,0,0,0|1,0,1]=4 925 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [1,1,0,0,0,0|1,0,1]=4 926 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [1,1,0,0,0,0|1,0,1]=4 927 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [1,1,0,0,0,0|1,0,1]=4 928 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [1,1,0,0,0,0|1,0,1]=4 929 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [1,1,0,0,0,0|1,0,1]=4 930 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [1,1,0,0,0,0|1,0,1]=4 931 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [1,1,0,0,0,0|1,0,1]=4 932 B14R1.14885 CCOc1c(cc(cc1OC)C=O)O 271570a_203496583355_100000183235 [1,1,0,0,0,0|0,0,1]=3 933 B14R1.15070 CC=Cc1cc(c(cc1OC)C=O)F 271570a_100016259895_100000695681 [1,1,0,0,0,0|1,0,0]=3 934 B14R1.15070 CC=Cc1cc(c(cc1OC)C=O)O 271570a_100016259895_100010762608 [1,1,0,0,0,0|1,0,0]=3 935 B14R1.15070 CCOc1cc(c(cc1OC)C=O)O 271570a_203496583355_100009812228 [1,1,0,0,0,0|0,0,1]=3 936 B14R1.15070 CCSc1cc(c(cc1OC)C=O)F 62a_100000210202_100000695681 [1,1,0,0,0,0|0,1,1]=4 937 B14R1.15070 CCSc1cc(c(cc1OC)C=O)F 62a_100000695681_100000210202 [1,1,0,0,0,0|0,1,1]=4 938 B14R1.15070 CCSc1cc(c(cc1OC)C=O)O 62a_100000210202_100010762608 [1,1,0,0,0,0|0,1,1]=4 939 B14R1.15070 CCSc1cc(c(cc1OC)C=O)O 62a_100010762608_100000210202 [1,1,0,0,0,0|0,1,1]=4 940 B14R1.43 C=C(C)c1ccc(c(c1)OC)C(=O)C 271570a_100000694244_100000709911 [0,1,0,0,1,0|1,0,0]=3 941 B14R1.43 C=C(C)c1ccc(c(c1)OC)C(=O)N 271570a_100000694244_100000748320 [0,1,0,0,1,0|2,0,0]=4 942 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)C 271570a_100000694244_100010110075 [0,1,0,0,1,0|1,0,0]=3 943 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)N 271570a_100000694244_100009817049 [0,1,0,0,1,0|1,0,0]=3 944 B14R1.43 C=C(C)c1cnc(c(c1)OC)C(=O)C 271570a_100000694244_100010137934 [0,1,0,0,1,0|2,0,0]=4 945 B14R1.43 CC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100009848971_200025704644 [0,1,0,0,1,0|2,0,0]=4 946 B14R1.43 CC(=O)c1ccc(cc1O[13CH3])N(C)C 34a_100000684426_200025704644 [0,1,0,0,1,0|2,0,0]=4 947 B14R1.43 COc1cc(ccc1C(=O)C)N(C)C 34a_100000684426_200000210301 [0,1,0,0,1,0|2,0,0]=4 948 B14R1.43 COc1cc(ccc1C(=O)C)[N+](=O)[O-] 1458a_100000686327_200000210301 [0,1,0,0,1,0|1,0,0]=3 949 B14R1.43 COc1cc(ccc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000686327_200025704644 [0,1,0,0,1,0|1,0,0]=3 950 B14R1.43 COc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100009817049 [0,1,0,0,1,0|2,0,0]=4 951 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C 1458a_100000217213_200000210301 [0,1,0,0,1,0|2,0,0]=4 952 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C 7a_100009848971_200000210301 [0,1,0,0,1,0|2,0,0]=4 953 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)N 7a_100012185228_200000210301 [0,1,0,0,1,0|2,0,0]=4 954 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000217213_200025704644 [0,1,0,0,1,0|2,0,0]=4 955 B14R1.43 [13CH3]Oc1cc(ccc1[N+](=O)[O-])C(=O)N 7a_100012185228_200025704644 [0,1,0,0,1,0|2,0,0]=4 956 B14R1.105 C=Cc1ccc(c(c1)OC)S(=O)(=O)C 271570a_100011290941_100010732494 [0,1,0,0,1,0|2,0,0]=4 957 B14R1.105 CS(=O)(=O)c1ccc(cc1S[13CH3])C=O 62a_100010174260_200025704644 [0,1,0,0,1,0|1,1,0]=4 958 B14R1.105 CS(=O)(=O)c1ccc(cc1S[13CH3])C=O 62a_200025704644_100010174260 [0,1,0,0,1,0|1,1,0]=4 959 B14R1.105 CSc1cc(ccc1S(=O)(=O)C)C=O 62a_100010174260_200000210301 [0,1,0,0,1,0|1,1,0]=4 960 B14R1.105 CSc1cc(ccc1S(=O)(=O)C)C=O 62a_200000210301_100010174260 [0,1,0,0,1,0|1,1,0]=4 961 B14R1.492 C=C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100015277604_100000709911 [0,1,0,0,1,0|1,0,0]=3 962 B14R1.492 C=C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100015277604_100000748320 [0,1,0,0,1,0|2,0,0]=4 963 B14R1.492 C=C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100015277604_100010137934 [0,1,0,0,1,0|2,0,0]=4 964 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016259895_100000709911 [0,1,0,0,1,0|1,0,0]=3 965 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)N 271570a_100016259895_100000748320 [0,1,0,0,1,0|2,0,0]=4 966 B14R1.492 CC=Cc1cnc(c(c1)OC)C(=O)C 271570a_100016259895_100010137934 [0,1,0,0,1,0|2,0,0]=4 967 B14R1.492 CCOc1ccc(c(c1)OC)C(=O)C 34a_100000116857_100000210202 [0,1,0,0,1,0|1,0,1]=4 968 B14R1.492 CCOc1ccc(c(c1)OC)C(=O)C 7a_100000040345_200000210301 [0,1,0,0,1,0|1,0,1]=4 969 B14R1.492 CCOc1ccc(c(c1)OC)C(=O)C 7a_100000116857_100000210202 [0,1,0,0,1,0|1,0,1]=4 970 B14R1.492 CCOc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000040345_200025704644 [0,1,0,0,1,0|1,0,1]=4 971 B14R1.492 CCSc1ccc(c(c1)OC)C(=O)C 62a_100000709911_100000210202 [0,1,0,0,1,0|1,0,1]=4 972 B14R1.492 COc1cc(ccc1C(=O)C)OCF 34a_100000116857_100015361967 [0,1,0,0,1,0|1,0,1]=4 973 B14R1.492 COc1cc(ccc1C(=O)C)OCF 7a_100000116857_100015361967 [0,1,0,0,1,0|1,0,1]=4 974 B14R1.492 COc1cc(ccc1C(=O)C)SCF 62a_100000709911_100015361967 [0,1,0,0,1,0|1,0,1]=4 975 B14R1.577 COc1cc(c(c(c1)OC)C(=O)C)C 1458a_100000066166_200000210301 [0,1,0,0,1,0|2,0,0]=4 976 B14R1.577 COc1cc(c(c(c1)OC)C(=O)C)I 1458a_200015508059_200000210301 [0,1,0,0,1,0|2,0,0]=4 977 B14R1.577 COc1cc(c(c(c1)OC)C(=O)[13CH3])C 1458a_100000066166_200025704644 [0,1,0,0,1,0|2,0,0]=4 978 B14R1.577 COc1cc(c(c(c1)OC)C(=O)[13CH3])I 1458a_200015508059_200025704644 [0,1,0,0,1,0|2,0,0]=4 979 B14R1.2293 C=C(C)c1cc(c(cc1OC)C=O)F 271570a_100000694244_100000695681 [0,1,0,0,1,0|1,0,0]=3 980 B14R1.2293 C=C(C)c1cc(c(cc1OC)C=O)O 271570a_100000694244_100010762608 [0,1,0,0,1,0|1,0,0]=3 981 B14R1.2293 COc1cc(c(cc1Br)C(=O)C)OC 1458a_100012350677_200000210301 [0,1,0,0,1,0|2,0,0]=4 982 B14R1.2293 COc1cc(c(cc1Br)C(=O)C)OC 7a_100009813116_200000210301 [0,1,0,0,1,0|2,0,0]=4 983 B14R1.2293 COc1cc(c(cc1Br)C(=O)C)O[13CH3] 7a_100009813116_200025704644 [0,1,0,0,1,0|2,0,0]=4 984 B14R1.2293 COc1cc(c(cc1Br)C(=O)[13CH3])OC 1458a_100012350677_200025704644 [0,1,0,0,1,0|2,0,0]=4 985 B14R1.2320 C=C(C)c1ccc(c(c1OC)F)C=O 271570a_100000694244_200010981996 [0,1,0,0,1,0|1,0,0]=3 986 B14R1.5121 C=C(C)c1ccc(cc1OCC)C=O 271570a_100000694244_200010381951 [0,1,0,0,1,0|1,0,0]=3 987 B14R1.5121 C=Cc1ccc(c(c1)OCC)C(=O)N 271570a_100011290941_200010071310 [0,1,0,0,1,0|2,0,0]=4 988 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC 34a_100000185565_100000210202 [0,1,0,0,1,0|2,0,0]=4 989 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC 7a_100000185565_100000210202 [0,1,0,0,1,0|2,0,0]=4 990 B14R1.5121 COc1ccc(c(c1)OCF)C(=O)C 34a_100000185565_100015361967 [0,1,0,0,1,0|2,0,0]=4 991 B14R1.5121 COc1ccc(c(c1)OCF)C(=O)C 7a_100000185565_100015361967 [0,1,0,0,1,0|2,0,0]=4 992 B16R1.9044 C=C(C)CSc1ccc(cc1OCC)C=O 62a_100000748629_200010381951 [0,1,0,0,0,1|1,1,0]=4 993 B16R1.9044 C=C(C)CSc1ccc(cc1OCC)C=O 62a_200010381951_100000211660 [0,1,0,0,0,1|1,1,0]=4 994 B16R1.9044 CCOc1cc(ccc1OCC(=O)C)C#N 1458a_100000188621_200000210301 [0,1,0,0,0,1|1,0,1]=4 995 B16R1.9044 CCOc1cc(ccc1OCC(=O)[13CH3])C#N 1458a_100000188621_200025704644 [0,1,0,0,0,1|1,0,1]=4 996 B16R1.9044 CCOc1cc(ccc1SCC(=O)N)C=O 62a_100000747473_200010381951 [0,1,0,0,0,1|1,1,0]=4 997 B16R1.9044 CCOc1cc(ccc1SCC(=O)N)C=O 62a_200010381951_100000747473 [0,1,0,0,0,1|1,1,0]=4 998 B16R1.9044 CCOc1cc(ccc1SCC(=O)[O-])C=O 62a_100020667443_200010381951 [0,1,0,0,0,1|1,1,0]=4 999 B16R1.9044 CCOc1cc(ccc1SCC(=O)[O-])C=O 62a_200010381951_100020667443 [0,1,0,0,0,1|1,1,0]=4 1000 B16R1.13466 C/C=C/c1ccc(c(c1)OC)OCC(=O)C 1458a_100000184084_200000210301 [0,1,0,0,0,1|1,0,0]=3 1001 B16R1.13466 C/C=C/c1ccc(c(c1)OC)OCC(=O)[13CH3] 1458a_100000184084_200025704644 [0,1,0,0,0,1|1,0,0]=3 1002 B16R1.13466 C=C(C)COc1ccc(cc1OC)C=CC 34a_100015195088_100000748629 [0,1,0,0,0,1|2,0,0]=4 1003 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=C)C 34a_100000181329_100000748629 [0,1,0,0,0,1|2,0,0]=4 1004 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)C 1458a_100000010838_200000210301 [0,1,0,0,0,1|1,0,0]=3 1005 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)N 34a_100000181329_100000187820 [0,1,0,0,0,1|2,0,0]=4 1006 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)[13CH3] 1458a_100000010838_200025704644 [0,1,0,0,0,1|1,0,0]=3 1007 B16R1.13466 C=CCc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100000181329_100020667443 [0,1,0,0,0,1|2,0,0]=4 1008 B16R1.13466 CC=Cc1ccc(c(c1)OC)OCC(=O)N 34a_100015195088_100000187820 [0,1,0,0,0,1|2,0,0]=4 1009 B16R1.13466 CC=Cc1ccc(c(c1)OC)OCC(=O)[O-] 34a_100015195088_100020667443 [0,1,0,0,0,1|2,0,0]=4 1010 B16R1.14579 COc1cc(cc(c1OCC(C)C)O)C=O 271570a_203496583355_100000188545 [0,1,0,0,0,1|1,0,1]=4 1011 B16R1.18494 C=C(C)CNc1ccc(cc1OC)C(=O)N 27a_100000765925_100009817049 [0,1,0,0,0,1|2,0,0]=4 1012 B16R1.18494 C=C(C)CNc1ccc(cc1OC)C(=O)N 34a_100011850419_100000748629 [0,1,0,0,0,1|2,0,0]=4 1013 B16R1.18494 C=C(C)COc1ccc(cc1OC)C(=O)C 34a_100000186468_100000748629 [0,1,0,0,0,1|1,0,0]=3 1014 B16R1.18494 C=C(C)COc1ccc(cc1OC)C(=O)C 7a_100000186468_100000748629 [0,1,0,0,0,1|1,0,0]=3 1015 B16R1.18494 C=C(C)COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000748629 [0,1,0,0,0,1|2,0,0]=4 1016 B16R1.18494 C=C(C)COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000748629 [0,1,0,0,0,1|2,0,0]=4 1017 B16R1.18494 C=C(C)CSc1ccc(cc1OC)C(=O)C 62a_100010110075_100000211660 [0,1,0,0,0,1|1,1,0]=4 1018 B16R1.18494 C=C(C)CSc1ccc(cc1OC)C(=O)N 62a_100009817049_100000211660 [0,1,0,0,0,1|1,1,0]=4 1019 B16R1.18494 C=C(F)COc1ccc(cc1OC)C(=O)C 34a_100000186468_100009893438 [0,1,0,0,0,1|1,0,1]=4 1020 B16R1.18494 C=C(F)COc1ccc(cc1OC)C(=O)C 7a_100000186468_100000042424 [0,1,0,0,0,1|1,0,1]=4 1021 B16R1.18494 COc1cc(ccc1NCC(=O)N)C(=O)N 34a_100011850419_100000187820 [0,1,0,0,0,1|2,0,0]=4 1022 B16R1.18494 COc1cc(ccc1NCC(=O)[O-])C(=O)N 34a_100011850419_100020667443 [0,1,0,0,0,1|2,0,0]=4 1023 B16R1.18494 COc1cc(ccc1OCC(=O)N)C(=O)C 34a_100000186468_100000187820 [0,1,0,0,0,1|1,0,0]=3 1024 B16R1.18494 COc1cc(ccc1OCC(=O)N)C(=O)C 7a_100000186468_100000187820 [0,1,0,0,0,1|1,0,0]=3 1025 B16R1.18494 COc1cc(ccc1OCC(=O)N)[N+](=O)[O-] 34a_100000742293_100000187820 [0,1,0,0,0,1|2,0,0]=4 1026 B16R1.18494 COc1cc(ccc1OCC(=O)N)[N+](=O)[O-] 7a_100000742293_100000187820 [0,1,0,0,0,1|2,0,0]=4 1027 B16R1.18494 COc1cc(ccc1OCC(=O)[O-])C(=O)C 34a_100000186468_100020667443 [0,1,0,0,0,1|1,0,0]=3 1028 B16R1.18494 COc1cc(ccc1OCC(=O)[O-])[N+](=O)[O-] 34a_100000742293_100020667443 [0,1,0,0,0,1|2,0,0]=4 1029 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)C 1458a_100000182899_200000210301 [0,1,0,0,0,1|1,0,1]=4 1030 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)C 34a_100000186468_100000210624 [0,1,0,0,0,1|1,0,1]=4 1031 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)C 7a_100000186468_100000210760 [0,1,0,0,0,1|1,0,1]=4 1032 B16R1.18494 COc1cc(ccc1OCC(C)C)C(=O)[13CH3] 1458a_100000182899_200025704644 [0,1,0,0,0,1|1,0,1]=4 1033 B16R1.18494 COc1cc(ccc1OCC(C)O)C(=O)C 34a_100000186468_100011218427 [0,1,0,0,0,1|0,0,2]=4 1034 B16R1.18494 COc1cc(ccc1OCC(C)O)C(=O)C 7a_100000186468_100011218427 [0,1,0,0,0,1|0,0,2]=4 1035 B16R1.18494 COc1cc(ccc1OC[C@@H](C)O)C(=O)C 34a_100000186468_100009817552 [0,1,0,0,0,1|0,0,2]=4 1036 B16R1.18494 COc1cc(ccc1OC[C@@H](C)O)C(=O)C 7a_100000186468_100009817552 [0,1,0,0,0,1|0,0,2]=4 1037 B16R1.18494 COc1cc(ccc1OC[N+](=O)[O-])C(=O)C 34a_100000186468_100000761209 [0,1,0,0,0,1|2,0,0]=4 1038 B16R1.18494 COc1cc(ccc1SCC(=O)N)C(=O)C 62a_100010110075_100000747473 [0,1,0,0,0,1|1,1,0]=4 1039 B16R1.18494 COc1cc(ccc1SCC(=O)N)C(=O)N 62a_100009817049_100000747473 [0,1,0,0,0,1|1,1,0]=4 1040 B16R1.18494 COc1cc(ccc1SCC(=O)[O-])C(=O)C 62a_100010110075_100020667443 [0,1,0,0,0,1|1,1,0]=4 1041 B16R1.18494 COc1cc(ccc1SCC(=O)[O-])C(=O)N 62a_100009817049_100020667443 [0,1,0,0,0,1|1,1,0]=4 1042 B16R1.20052 C=C(C)CSc1cc(c(cc1OC)C=O)F 62a_100000695681_100000211660 [0,1,0,0,0,1|1,1,0]=4 1043 B16R1.20052 C=C(C)CSc1cc(c(cc1OC)C=O)F 62a_100000748629_100000695681 [0,1,0,0,0,1|1,1,0]=4 1044 B16R1.20052 C=C(C)CSc1cc(c(cc1OC)C=O)O 62a_100000748629_100010762608 [0,1,0,0,0,1|1,1,0]=4 1045 B16R1.20052 C=C(C)CSc1cc(c(cc1OC)C=O)O 62a_100010762608_100000211660 [0,1,0,0,0,1|1,1,0]=4 1046 B16R1.20052 COc1cc(c(cc1SCC(=O)N)F)C=O 62a_100000695681_100000747473 [0,1,0,0,0,1|1,1,0]=4 1047 B16R1.20052 COc1cc(c(cc1SCC(=O)N)F)C=O 62a_100000747473_100000695681 [0,1,0,0,0,1|1,1,0]=4 1048 B16R1.20052 COc1cc(c(cc1SCC(=O)N)O)C=O 62a_100000747473_100010762608 [0,1,0,0,0,1|1,1,0]=4 1049 B16R1.20052 COc1cc(c(cc1SCC(=O)N)O)C=O 62a_100010762608_100000747473 [0,1,0,0,0,1|1,1,0]=4 1050 B16R1.20052 COc1cc(c(cc1SCC(=O)[O-])F)C=O 62a_100000695681_100020667443 [0,1,0,0,0,1|1,1,0]=4 1051 B16R1.20052 COc1cc(c(cc1SCC(=O)[O-])F)C=O 62a_100020667443_100000695681 [0,1,0,0,0,1|1,1,0]=4 1052 B16R1.20052 COc1cc(c(cc1SCC(=O)[O-])O)C=O 62a_100010762608_100020667443 [0,1,0,0,0,1|1,1,0]=4 1053 B16R1.20052 COc1cc(c(cc1SCC(=O)[O-])O)C=O 62a_100020667443_100010762608 [0,1,0,0,0,1|1,1,0]=4 1054 B16R1.20144 C=C(C)CSc1ccc(c(c1OC)F)C=O 62a_100000748629_200010981996 [0,1,0,0,0,1|1,1,0]=4 1055 B16R1.20144 C=C(C)CSc1ccc(c(c1OC)F)C=O 62a_200010981996_100000211660 [0,1,0,0,0,1|1,1,0]=4 1056 B16R1.20144 COc1c(ccc(c1F)C=O)SCC(=O)N 62a_100000747473_200010981996 [0,1,0,0,0,1|1,1,0]=4 1057 B16R1.20144 COc1c(ccc(c1F)C=O)SCC(=O)N 62a_200010981996_100000747473 [0,1,0,0,0,1|1,1,0]=4 1058 B16R1.20144 COc1c(ccc(c1F)C=O)SCC(=O)[O-] 62a_100020667443_200010981996 [0,1,0,0,0,1|1,1,0]=4 1059 B16R1.20144 COc1c(ccc(c1F)C=O)SCC(=O)[O-] 62a_200010981996_100020667443 [0,1,0,0,0,1|1,1,0]=4 1060 B16R1.20196 C=Cc1ccc(c(c1)OC)OC(C)C(=O)N 34a_100011217988_100000702099 [0,1,0,0,0,1|2,0,0]=4 1061 B16R1.20196 C=Cc1ccc(c(c1)OC)OC(F)C(=O)N 34a_100011217988_100009813875 [0,1,0,0,0,1|2,0,0]=4 1062 B16R1.20196 C=Cc1ccc(c(c1)OC)OC(F)C(=O)[O-] 34a_100011217988_100020610796 [0,1,0,0,0,1|2,0,0]=4 1063 B16R1.20196 CCc1ccc(c(c1)OC)OC(C)C(=O)C 7a_100000186467_100000179758 [0,1,0,0,0,1|1,0,1]=4 1064 B16R1.20196 COc1cc(ccc1OC(C)C(=O)C)C#N 7a_100000184589_100000179758 [0,1,0,0,0,1|1,0,1]=4 1065 B16R1.20196 COc1cc(ccc1SC(C)C(=O)C)C=O 62a_100009814033_100010244714 [0,1,0,0,0,1|0,1,0]=3 1066 B16R1.20196 COc1cc(ccc1SC(C)C(=O)C)C=O 62a_100010244714_100009814033 [0,1,0,0,0,1|0,1,0]=3 1067 B16R1.20196 COc1cc(ccc1SC(C)C(=O)N)C=O 62a_100000702099_100010244714 [0,1,0,0,0,1|1,1,0]=4 1068 B16R1.20196 COc1cc(ccc1SC(C)C(=O)N)C=O 62a_100010244714_100000702099 [0,1,0,0,0,1|1,1,0]=4 1069 B16R1.20196 COc1cc(ccc1SC(F)C(=O)N)C=O 62a_100009813875_100010244714 [0,1,0,0,0,1|1,1,0]=4 1070 B16R1.20196 COc1cc(ccc1SC(F)C(=O)N)C=O 62a_100010244714_100009813875 [0,1,0,0,0,1|1,1,0]=4 1071 B16R1.20196 COc1cc(ccc1SC(F)C(=O)[O-])C=O 62a_100010244714_100020610796 [0,1,0,0,0,1|1,1,0]=4 1072 B16R1.20196 COc1cc(ccc1SC(F)C(=O)[O-])C=O 62a_100020610796_100010244714 [0,1,0,0,0,1|1,1,0]=4 1073 B16R1.20197 C=Cc1ccc(c(c1)OC)OCC(=O)NC 34a_100011217988_100000183359 [0,1,0,0,0,1|1,0,0]=3 1074 B16R1.20197 C=Cc1ccc(c(c1)OC)OCC(=O)OC 34a_100011217988_100000747449 [0,1,0,0,0,1|1,0,0]=3 1075 B16R1.20197 CCC(=O)COc1ccc(cc1OC)C#N 7a_100000184589_100000747405 [0,1,0,0,0,1|1,0,1]=4 1076 B16R1.20197 CCC(=O)COc1ccc(cc1OC)CC 7a_100000186467_100000747405 [0,1,0,0,0,1|1,0,1]=4 1077 B16R1.20197 CCC(=O)CSc1ccc(cc1OC)C=O 62a_100000747405_100010244714 [0,1,0,0,0,1|0,1,0]=3 1078 B16R1.20197 CCC(=O)CSc1ccc(cc1OC)C=O 62a_100010244714_100000747405 [0,1,0,0,0,1|0,1,0]=3 1079 B16R1.20197 CCc1ccc(c(c1)OC)OCC(=O)NC 34a_100000186467_100000183359 [0,1,0,0,0,1|1,0,1]=4 1080 B16R1.20197 CCc1ccc(c(c1)OC)OCC(=O)NC 7a_100000186467_100000183359 [0,1,0,0,0,1|1,0,1]=4 1081 B16R1.20197 CCc1ccc(c(c1)OC)OCC(=O)OC 34a_100000186467_100000747449 [0,1,0,0,0,1|1,0,1]=4 1082 B16R1.20197 CCc1ccc(c(c1)OC)OCC(=O)OC 7a_100000186467_100000747449 [0,1,0,0,0,1|1,0,1]=4 1083 B16R1.20197 CNC(=O)COc1ccc(cc1OC)C#N 34a_100000184589_100000183359 [0,1,0,0,0,1|1,0,1]=4 1084 B16R1.20197 CNC(=O)COc1ccc(cc1OC)C#N 7a_100000184589_100000183359 [0,1,0,0,0,1|1,0,1]=4 1085 B16R1.20197 CNC(=O)COc1ccc(cc1OC)CN 34a_100000185554_100000183359 [0,1,0,0,0,1|1,0,1]=4 1086 B16R1.20197 CNC(=O)COc1ccc(cc1OC)OC 34a_100009840267_100000183359 [0,1,0,0,0,1|2,0,0]=4 1087 B16R1.20197 CNC(=O)CSc1ccc(cc1OC)C=O 62a_100000183359_100010244714 [0,1,0,0,0,1|0,1,0]=3 1088 B16R1.20197 CNC(=O)CSc1ccc(cc1OC)C=O 62a_100010244714_100000183359 [0,1,0,0,0,1|0,1,0]=3 1089 B16R1.20197 COC(=O)COc1ccc(cc1OC)C#N 34a_100000184589_100000747449 [0,1,0,0,0,1|1,0,1]=4 1090 B16R1.20197 COC(=O)COc1ccc(cc1OC)C#N 7a_100000184589_100000747449 [0,1,0,0,0,1|1,0,1]=4 1091 B16R1.20197 COC(=O)COc1ccc(cc1OC)CN 34a_100000185554_100000747449 [0,1,0,0,0,1|1,0,1]=4 1092 B16R1.20197 COC(=O)COc1ccc(cc1OC)OC 34a_100009840267_100000747449 [0,1,0,0,0,1|2,0,0]=4 1093 B16R1.20197 COC(=O)CSc1ccc(cc1OC)C=O 62a_100000747449_100010244714 [0,1,0,0,0,1|0,1,0]=3 1094 B16R1.20197 COC(=O)CSc1ccc(cc1OC)C=O 62a_100010244714_100000747449 [0,1,0,0,0,1|0,1,0]=3 1095 B16R1.28 COc1cc(ccc1OC(C)(C)C)C(=O)C 34a_100000186468_100000210625 [0,2,0,0,0,0|1,0,1]=4 1096 B16R1.438 COc1cc(cc(c1NC(=O)C)C)[N+](=O)[O-] 11a_100011086007_100015343762 [0,2,0,0,0,0|2,0,0]=4 1097 B16R1.645 CC(=O)Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000193061_100015361967 [0,2,0,0,0,0|2,0,0]=4 1098 B16R1.645 CC(=O)Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000193061_100015361967 [0,2,0,0,0,0|2,0,0]=4 1099 B16R1.645 CC=Cc1cc(ccc1NC(=O)C)C(=O)C 271570a_100016259895_100009813952 [0,2,0,0,0,0|2,0,0]=4 1100 B16R1.645 CCOc1cc(ccc1NC(=O)C)[N+](=O)[O-] 34a_100000193061_100000210202 [0,2,0,0,0,0|2,0,0]=4 1101 B16R1.645 CCOc1cc(ccc1NC(=O)C)[N+](=O)[O-] 7a_100000193061_100000210202 [0,2,0,0,0,0|2,0,0]=4 1102 B16R1.645 CNCc1cc(ccc1OC(=O)C)[N+](=O)[O-] 2230a_106832991635_100000065268 [0,2,0,0,0,0|2,0,0]=4 1103 B16R1.4711 CCC(=O)c1ccc(c(c1)OC)OC(C)C 1458a_100000182801_100000210202 [0,2,0,0,0,0|1,0,1]=4 1104 B16R1.4711 CCC(=O)c1ccc(c(c1)OC)OC(C)C 34a_100000012293_100000210206 [0,2,0,0,0,0|1,0,1]=4 1105 B16R1.4711 CCC(=O)c1ccc(c(c1)OC)OC(C)C 7a_100000012293_100000210206 [0,2,0,0,0,0|1,0,1]=4 1106 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)NC(=O)C 11a_100011850465_100015343762 [0,2,0,0,0,0|1,0,0]=3 1107 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)NC(=O)C 1626a_100011850465_100015343762 [0,2,0,0,0,0|1,0,0]=3 1108 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)NC(=O)C 22a_100011850465_100000070787 [0,2,0,0,0,0|1,0,0]=3 1109 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)NC(=O)C 527a_100011850465_100103153847 [0,2,0,0,0,0|1,0,0]=3 1110 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(=O)C 11a_106832991635_100000056858 [0,2,0,0,0,0|0,0,0]=2 1111 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(=O)C 1626a_100102657272_100000056858 [0,2,0,0,0,0|0,0,0]=2 1112 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(=O)C 240690a_100102657272_100000056858 [0,2,0,0,0,0|0,0,0]=2 1113 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(C)C 11a_106832991635_100000182801 [0,2,0,0,0,0|1,0,1]=4 1114 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(C)C 1626a_100102657272_100000182801 [0,2,0,0,0,0|1,0,1]=4 1115 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(C)C 240690a_100102657272_100000182801 [0,2,0,0,0,0|1,0,1]=4 1116 B16R1.4711 CNC(=O)c1ccc(c(c1)OC)OC(C)C 527a_100102657272_100000182801 [0,2,0,0,0,0|1,0,1]=4 1117 B16R1.4711 COC(=O)c1ccc(c(c1)OC)C=C(C)C 271570a_100102525489_100009816954 [0,2,0,0,0,0|2,0,0]=4 1118 B16R1.4711 COC(=O)c1ccc(c(c1)OC)CC(=O)C 1458a_100000070787_100000765176 [0,2,0,0,0,0|1,0,0]=3 1119 B16R1.4711 COC(=O)c1ccc(c(c1)OC)NC(=O)C 188690a_100000695017_100015343762 [0,2,0,0,0,0|1,0,0]=3 1120 B16R1.4711 COC(=O)c1ccc(c(c1)OC)OC(C)C 34a_100000212147_100000210206 [0,2,0,0,0,0|1,0,1]=4 1121 B16R1.4711 COC(=O)c1ccc(c(c1)OC)OC(C)C 7a_100000212147_100000210206 [0,2,0,0,0,0|1,0,1]=4 1122 B16R1.4711 COc1cc(ccc1OC(C)C)C(=O)CF 1458a_100000182801_100015361967 [0,2,0,0,0,0|1,0,1]=4 1123 B16R1.4711 COc1cc(ccc1OC(C)C)C(=O)NN 34a_100000008232_100000210206 [0,2,0,0,0,0|1,0,1]=4 1124 B16R1.4712 COc1cc(ccc1NC(=O)C)S(=O)(=O)C 11a_100011900471_100015343762 [0,2,0,0,0,0|2,0,0]=4 1125 B16R1.4712 COc1cc(ccc1NC(=O)C)S(=O)(=O)C 1626a_100011900471_100015343762 [0,2,0,0,0,0|2,0,0]=4 1126 B16R1.4747 COc1cc(ccc1C(=C(C)C)C)C(=O)C 271570a_200000049429_100010110075 [0,2,0,0,0,0|2,0,0]=4 1127 B16R1.4747 COc1cc(ccc1C(=C(C)C)C)C(=O)N 271570a_200000049429_100009817049 [0,2,0,0,0,0|2,0,0]=4 1128 B16R1.18159 C=C(C)c1cc(ccc1NC(=O)C)C(=O)C 271570a_100000694244_100009813952 [0,2,0,0,0,0|2,0,0]=4 1129 B16R1.18493 C#CC(C)Oc1ccc(cc1OC)C(=O)C 34a_100000186468_200000035995 [0,2,0,0,0,0|1,0,1]=4 1130 B16R1.18493 C=CC(=O)Nc1ccc(cc1OC)C(=O)N 1626a_100011850419_100000185746 [0,2,0,0,0,0|1,0,1]=4 1131 B16R1.18493 C=CC(=O)Nc1ccc(cc1OC)C(=O)N 22a_100011850419_100000185746 [0,2,0,0,0,0|1,0,1]=4 1132 B16R1.18493 CCC(=O)Cc1ccc(cc1OC)[N+](=O)[O-] 1458a_100000210414_100010150584 [0,2,0,0,0,0|2,0,0]=4 1133 B16R1.18493 CCC(=O)Nc1ccc(cc1OC)C(=O)N 11a_100011850419_100000210414 [0,2,0,0,0,0|1,0,0]=3 1134 B16R1.18493 CCC(=O)Nc1ccc(cc1OC)C(=O)N 1626a_100011850419_100000210414 [0,2,0,0,0,0|1,0,0]=3 1135 B16R1.18493 CCC(=O)Nc1ccc(cc1OC)C(=O)N 22a_100011850419_100000210414 [0,2,0,0,0,0|1,0,0]=3 1136 B16R1.18493 CCC(=O)Nc1ccc(cc1OC)C(=O)N 527a_100011850419_100000210414 [0,2,0,0,0,0|1,0,0]=3 1137 B16R1.18493 CCC(=O)Nc1ccc(cc1OC)[N+](=O)[O-] 11a_100000211086_100000210414 [0,2,0,0,0,0|2,0,0]=4 1138 B16R1.18493 CCC(=O)Nc1ccc(cc1OC)[N+](=O)[O-] 1626a_100000211086_100000210414 [0,2,0,0,0,0|2,0,0]=4 1139 B16R1.18493 CCC(C)Oc1ccc(cc1OC)C(=O)C 34a_100000186468_100011215416 [0,2,0,0,0,0|1,0,1]=4 1140 B16R1.18493 CCC(C)Oc1ccc(cc1OC)C(=O)C 7a_100000186468_100000758301 [0,2,0,0,0,0|1,0,1]=4 1141 B16R1.18493 CNC(=O)Nc1ccc(cc1OC)C(=O)N 2430a_100011850419_100102657272 [0,2,0,0,0,0|1,0,0]=3 1142 B16R1.18493 CNC(=O)Nc1ccc(cc1OC)[N+](=O)[O-] 2430a_100000211086_100102657272 [0,2,0,0,0,0|2,0,0]=4 1143 B16R1.18493 COc1cc(ccc1CC(=O)CO)[N+](=O)[O-] 1458a_100000210174_100010150584 [0,2,0,0,0,0|2,0,0]=4 1144 B16R1.18493 COc1cc(ccc1NC(=O)CO)C(=O)N 22a_100011850419_100000210174 [0,2,0,0,0,0|1,0,0]=3 1145 B16R1.18493 COc1cc(ccc1NC(=O)CO)C(=O)N 527a_100011850419_100000210174 [0,2,0,0,0,0|1,0,0]=3 1146 B16R1.18493 COc1cc(ccc1OC(C)C#N)C(=O)C 7a_100000186468_100000703298 [0,2,0,0,0,0|1,0,1]=4 1147 B16R1.18493 COc1cc(ccc1OC(C)CO)C(=O)C 34a_100000186468_100012180447 [0,2,0,0,0,0|0,0,2]=4 1148 B16R1.18493 COc1cc(ccc1OC(C)CO)C(=O)C 7a_100000186468_100012180447 [0,2,0,0,0,0|0,0,2]=4 1149 B16R1.20023 COc1cc(c(cc1NC(=O)C)C)[N+](=O)[O-] 11a_100000073770_100015343762 [0,2,0,0,0,0|2,0,0]=4 1150 B16R1.20023 COc1cc(c(cc1NC(=O)C)F)[N+](=O)[O-] 11a_200010782234_100015343762 [0,2,0,0,0,0|2,0,0]=4 1151 B16R1.20023 COc1cc(c(cc1NC(=O)C)F)[N+](=O)[O-] 1626a_200010782234_100015343762 [0,2,0,0,0,0|2,0,0]=4 1152 B16R1.20023 COc1cc(c(cc1OC(C)C)F)C(=O)C 34a_100000070333_100000210206 [0,2,0,0,0,0|1,0,1]=4 1153 B16R1.20023 COc1cc(c(cc1OC(C)C)F)C(=O)C 7a_100000070333_100000210206 [0,2,0,0,0,0|1,0,1]=4 1154 B16R1.1260 C=CCNc1ccc(c(c1)OC)NC(=O)C 34a_100015186897_100015514636 [0,2,0,0,0,0|2,0,0]=4 1155 B16R1.1260 C=CCNc1ccc(c(c1)OC)NC(=O)C 7a_100015186897_100015514636 [0,2,0,0,0,0|2,0,0]=4 1156 B16R1.1260 CCNCc1ccc(c(c1)OC)OC(=O)C 207a_100015525214_100000189339 [0,2,0,0,0,0|1,0,1]=4 1157 B16R1.1260 CCNCc1ccc(c(c1)OC)OC(=O)C 270004a_100015525214_100000189339 [0,2,0,0,0,0|1,0,1]=4 1158 B16R1.1260 COc1cc(ccc1NC(=O)C)NCC=O 34a_100015186897_200009817547 [0,2,0,0,0,0|1,0,0]=3 1159 B16R1.1260 COc1cc(ccc1NC(=O)C)NCC=O 7a_100015186897_200015260668 [0,2,0,0,0,0|1,0,0]=3 1160 B16R1.1260 COc1cc(ccc1OC(C)C)SCC=O 62a_100012354883_200015260668 [0,2,0,0,0,0|1,0,1]=4 1161 B16R1.1260 COc1cc(ccc1OC(C)C)SCC=O 62a_200015260668_100012354883 [0,2,0,0,0,0|1,0,1]=4 1162 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Br 207a_100102657272_200000763639 [0,2,0,0,0,0|1,0,1]=4 1163 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Br 270004a_106832991635_200000763639 [0,2,0,0,0,0|1,0,1]=4 1164 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Cl 207a_100102657272_100000014685 [0,2,0,0,0,0|1,0,1]=4 1165 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)Cl 270004a_106832991635_100000014685 [0,2,0,0,0,0|1,0,1]=4 1166 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)I 207a_100102657272_200000014698 [0,2,0,0,0,0|1,0,1]=4 1167 B16R1.4178 CNCc1cc(c(c(c1)OC)OC(=O)C)I 270004a_106832991635_200000014698 [0,2,0,0,0,0|1,0,1]=4 1168 B16R1.4781 C=Cc1cc(ccc1OC(=O)C)OC(=O)C 271570a_100011290941_100009828021 [0,2,0,0,0,0|1,0,1]=4 1169 B16R1.4781 CC(=O)Oc1ccc(c(c1)S[13CH3])OC(=O)C 62a_200025704644_100009828021 [0,2,0,0,0,0|0,1,0]=3 1170 B16R1.4781 COc1cc(ccc1NC(=O)C)C=C(C)C 271570a_100102525489_100009813048 [0,2,0,0,0,0|2,0,0]=4 1171 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 11a_100015186897_100015343762 [0,2,0,0,0,0|1,0,0]=3 1172 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 1626a_100015186897_100015343762 [0,2,0,0,0,0|1,0,0]=3 1173 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 22a_100015186897_100000070787 [0,2,0,0,0,0|1,0,0]=3 1174 B16R1.4781 COc1cc(ccc1NC(=O)C)NC(=O)C 527a_100015186897_100103153847 [0,2,0,0,0,0|1,0,0]=3 1175 B16R1.4781 COc1cc(ccc1OC(=O)C)CN(C)C 270004a_100102631434_100000189339 [0,2,0,0,0,0|1,0,1]=4 1176 B16R1.4781 COc1cc(ccc1OC(C)C)CC(=O)C 1458a_100010294056_200000210301 [0,2,0,0,0,0|1,0,1]=4 1177 B16R1.4781 COc1cc(ccc1OC(C)C)CC(=O)C 34a_200000039568_100000210206 [0,2,0,0,0,0|1,0,1]=4 1178 B16R1.4781 COc1cc(ccc1OC(C)C)CC(=O)[13CH3] 1458a_100010294056_200025704644 [0,2,0,0,0,0|1,0,1]=4 1179 B16R1.4781 CSc1cc(ccc1OC(=O)C)OC(=O)C 62a_200000210301_100009828021 [0,2,0,0,0,0|0,1,0]=3 1180 B16R1.13464 CCOc1cc(ccc1OC(=O)C)CNC 207a_100102657272_100000014720 [0,2,0,0,0,0|1,0,1]=4 1181 B16R1.13464 CCOc1cc(ccc1OC(=O)C)CNC 270004a_106832991635_100000014720 [0,2,0,0,0,0|1,0,1]=4 1182 B16R1.49275 CNCc1cc(c(cc1Br)OC(=O)C)OC 270004a_106832991635_100009814921 [0,2,0,0,0,0|1,0,1]=4 1183 B16R1.4050 CCOc1cc(cc(c1OC(=O)C)O)C=O 271570a_203496583355_200000014723 [0,2,0,0,0,0|0,0,0]=2 1184 B16R1.4050 CCOc1cc(cc(c1OC(C)C)O)C=O 271570a_203496583355_100000188532 [0,2,0,0,0,0|1,0,1]=4 1185 B16R1.14642 C=Cc1cc(cc(c1OC(=O)C)OC)C#N 271570a_100011290941_100009812363 [0,2,0,0,0,0|1,0,1]=4 1186 B16R1.14642 C=Cc1cc(cc(c1OC(=O)C)OC)C=O 271570a_100011290941_200000014698 [0,2,0,0,0,0|0,0,0]=2 1187 B16R1.14642 C=Cc1cc(cc(c1OC(C)C)OC)C=O 271570a_100011290941_200000188531 [0,2,0,0,0,0|1,0,1]=4 1188 B16R1.14642 COc1cc(cc(c1OC(=O)C)SC)C#N 62a_200000210301_100009812363 [0,2,0,0,0,0|1,0,1]=4 1189 B16R1.14642 COc1cc(cc(c1OC(=O)C)SC)C=O 62a_200000210301_200000014698 [0,2,0,0,0,0|0,0,0]=2 1190 B16R1.14642 COc1cc(cc(c1OC(=O)C)S[13CH3])C#N 62a_200025704644_100009812363 [0,2,0,0,0,0|1,0,1]=4 1191 B16R1.14642 COc1cc(cc(c1OC(=O)C)S[13CH3])C=O 62a_200025704644_200000014698 [0,2,0,0,0,0|0,0,0]=2 1192 B16R1.14642 COc1cc(cc(c1OC(C)C)SC)C=O 62a_200000188531_200000210301 [0,2,0,0,0,0|1,0,1]=4 1193 B16R1.14642 COc1cc(cc(c1OC(C)C)SC)C=O 62a_200000210301_200000188531 [0,2,0,0,0,0|1,0,1]=4 1194 B16R1.14642 COc1cc(cc(c1OC(C)C)S[13CH3])C=O 62a_200000188531_200025704644 [0,2,0,0,0,0|1,0,1]=4 1195 B16R1.14642 COc1cc(cc(c1OC(C)C)S[13CH3])C=O 62a_200025704644_200000188531 [0,2,0,0,0,0|1,0,1]=4 1196 B16R1.20043 C=Cc1cc(c(cc1C=O)OC)OC(=O)C 271570a_100011290941_100009814921 [0,2,0,0,0,0|0,0,0]=2 1197 B16R1.20043 C=Cc1cc(c(cc1C=O)OC)OC(C)C 271570a_100011290941_100009820898 [0,2,0,0,0,0|1,0,1]=4 1198 B16R1.20043 COc1cc(c(cc1C=O)OC)C=C(C)C 271570a_100102525489_100000188581 [0,2,0,0,0,0|2,0,0]=4 1199 B16R1.20043 COc1cc(c(cc1OC(C)C)SC)C=O 62a_100009820898_200000210301 [0,2,0,0,0,0|1,0,1]=4 1200 B16R1.20043 COc1cc(c(cc1OC(C)C)S[13CH3])C=O 62a_100009820898_200025704644 [0,2,0,0,0,0|1,0,1]=4 1201 B16R1.20046 COc1cc(c(cc1C(=C(C)C)C)F)C=O 271570a_200000049429_100000695681 [0,2,0,0,0,0|2,0,0]=4 1202 B16R1.20046 COc1cc(c(cc1C(=C(C)C)C)O)C=O 271570a_200000049429_100010762608 [0,2,0,0,0,0|2,0,0]=4 1203 B16R1.49282 CCOc1cc(c(cc1OC(=O)C)O)C=O 271570a_203496583355_200000763636 [0,2,0,0,0,0|0,0,0]=2 1204 B16R1.20143 COc1c(ccc(c1F)C=O)C(=C(C)C)C 271570a_200000049429_200010981996 [0,2,0,0,0,0|2,0,0]=4 1205 B16R1.2190 C=Cc1ccc(c(c1)OC)NC(=O)NCC 271570a_100011290941_200024401162 [0,2,0,0,0,0|2,0,0]=4 1206 B16R1.47022 CCOc1cc(ccc1C(=C(C)C)C)C=O 271570a_200000049429_200010381951 [0,2,0,0,0,0|2,0,0]=4 1207 B16R1.20137 C=Cc1ccc(c(c1)C(=O)OC)NC(=O)C 271570a_100011290941_200009811626 [0,2,0,0,0,0|2,0,0]=4 1208 B16R1.20137 COC(=O)c1cc(ccc1C=C(C)C)C=O 271570a_100102525489_100013328361 [0,2,0,0,0,0|2,0,0]=4 1209 B16R1.17497 COCSc1cc(ccc1OC(C)C)C=O 62a_100000766300_200000173091 [0,2,0,0,0,0|1,0,1]=4 1210 B16R1.17497 COCSc1cc(ccc1OC(C)C)C=O 62a_200000173091_100000766300 [0,2,0,0,0,0|1,0,1]=4 1211 B14R2.2332 C=Cc1ccc2c(c1)CCC(=O)C2 271570a_100011290941_100000753102 [1,0,0,1,0,0|2,0,0]=4 1212 B14R2.2332 C=Cc1ccc2c(c1)CCC(=O)N2 271570a_100011290941_100000754843 [1,0,0,1,0,0|2,0,0]=4 1213 B14R2.2332 C=Cc1ccc2c(c1)CCC(=O)O2 271570a_100011290941_100010179853 [1,0,0,1,0,0|1,0,0]=3 1214 B14R2.2332 C=Cc1ccc2c(c1)OCC(=O)N2 271570a_100011290941_100000745508 [1,0,0,1,0,0|2,0,0]=4 1215 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200000210301 [1,0,0,1,0,0|2,0,0]=4 1216 B14R2.2332 CSc1ccc2c(c1)CCC(=O)O2 62a_200000210301_100010179853 [1,0,0,1,0,0|2,0,0]=4 1217 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_100010179853_200025704644 [1,0,0,1,0,0|2,0,0]=4 1218 B14R2.2332 [13CH3]Sc1ccc2c(c1)CCC(=O)O2 62a_200025704644_100010179853 [1,0,0,1,0,0|2,0,0]=4 1219 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_100009816904_200000210301 [1,0,0,1,0,0|0,1,1]=4 1220 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_200000210301_100009816904 [1,0,0,1,0,0|0,1,1]=4 1221 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_100009816904_200025704644 [1,0,0,1,0,0|0,1,1]=4 1222 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_200025704644_100009816904 [1,0,0,1,0,0|0,1,1]=4 1223 B14R2.2400 C=Cc1ccc2c(c1)OCCCO2 271570a_100011290941_100000739260 [1,0,0,1,0,0|1,0,1]=4 1224 B14R2.2505 COc1cc(ccc1C2CC2)C=O 271570a_100011220607_100010244714 [1,0,0,1,0,0|1,0,1]=4 1225 B14R2.1801 C=Cc1ccc2c(c1)CCCC2=O 271570a_100011290941_100000688402 [0,0,0,1,1,0|2,0,0]=4 1226 B14R2.1801 C=Cc1ccc2c(c1)NCCC2=O 271570a_100011290941_100010157303 [0,0,0,1,1,0|2,0,0]=4 1227 B14R2.1801 C=Cc1ccc2c(c1)OCCC2=O 271570a_100011290941_100000696939 [0,0,0,1,1,0|1,0,0]=3 1228 B14R2.1801 C=Cc1ccc2c(c1)SCCC2=O 271570a_100011290941_100010688399 [0,0,0,1,1,0|1,1,0]=4 1229 B14R2.1801 C=Cc1cnc2c(c1)OCCC2=O 271570a_100011290941_100011092978 [0,0,0,1,1,0|2,0,0]=4 1230 B14R2.1801 COc1ccc2c(c1)OCCC2=O 34a_100000089553_200000210301 [0,0,0,1,1,0|2,0,0]=4 1231 B14R2.1801 COc1ccc2c(c1)OCCC2=O 7a_100000089553_200000210301 [0,0,0,1,1,0|2,0,0]=4 1232 B14R2.1801 CSc1ccc2c(c1)OCCC2=O 62a_100000696939_200000210301 [0,0,0,1,1,0|2,0,0]=4 1233 B14R2.1801 CSc1ccc2c(c1)OCCC2=O 62a_200000210301_100000696939 [0,0,0,1,1,0|2,0,0]=4 1234 B14R2.1801 [13CH3]Oc1ccc2c(c1)OCCC2=O 34a_100000089553_200025704644 [0,0,0,1,1,0|2,0,0]=4 1235 B14R2.1801 [13CH3]Oc1ccc2c(c1)OCCC2=O 7a_100000089553_200025704644 [0,0,0,1,1,0|2,0,0]=4 1236 B14R2.1801 [13CH3]Sc1ccc2c(c1)OCCC2=O 62a_100000696939_200025704644 [0,0,0,1,1,0|2,0,0]=4 1237 B14R2.1801 [13CH3]Sc1ccc2c(c1)OCCC2=O 62a_200025704644_100000696939 [0,0,0,1,1,0|2,0,0]=4 1238 B16R2.1575 C=Cc1cc2c(c(c1)OC)OCC(=O)N2 271570a_100011290941_100012360411 [0,0,0,1,0,1|2,0,0]=4 1239 B16R2.502 CC(=O)N1CCc2c1ccc(c2)C(=O)[13CH3] 1458a_100000233462_200025704644 [0,1,0,1,0,0|2,0,0]=4 1240 B16R2.502 CC(=O)c1ccc2c(c1)CCN2C(=O)C 1458a_100000233462_200000210301 [0,1,0,1,0,0|2,0,0]=4 1241 B16R2.6919 COc1cc(ccc1OC2CC2)C(=O)C 34a_100000186468_100000211595 [0,1,0,1,0,0|1,0,1]=4 1242 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [1,0,0,0,1,0|2,0,0]=4 1243 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [1,0,0,0,1,0|1,0,1]=4 1244 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [1,0,0,0,1,0|2,0,0]=4 1245 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [1,0,0,0,1,0|2,0,0]=4 1246 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [1,0,0,0,1,0|2,0,0]=4 1247 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [1,0,0,0,1,0|1,0,1]=4 1248 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [1,0,0,0,1,0|1,0,0]=3 1249 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [1,0,0,0,1,0|0,0,1]=3 1250 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [1,0,0,0,1,0|0,0,1]=3 1251 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [1,0,0,0,1,0|1,0,0]=3 1252 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [1,0,0,0,1,0|1,0,0]=3 1253 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [1,0,0,0,1,0|1,0,0]=3 1254 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [1,0,0,0,1,0|0,1,1]=4 1255 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [1,0,0,0,1,0|0,1,1]=4 1256 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [1,0,0,0,1,0|1,1,0]=4 1257 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [1,0,0,0,1,0|0,1,1]=4 1258 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [1,0,0,0,1,0|2,0,0]=4 1259 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [1,0,0,0,1,0|2,0,0]=4 1260 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [1,0,0,0,1,0|2,0,0]=4 1261 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [1,0,0,0,1,0|1,0,0]=3 1262 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [1,0,0,0,1,0|1,0,0]=3 1263 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [1,0,0,0,1,0|0,0,1]=3 1264 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [1,0,0,0,1,0|0,0,1]=3 1265 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [1,0,0,0,1,0|0,0,1]=3 1266 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [1,0,0,0,1,0|1,0,0]=3 1267 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [1,0,0,0,1,0|1,0,0]=3 1268 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [1,0,0,0,1,0|1,0,0]=3 1269 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [1,0,0,0,1,0|1,0,0]=3 1270 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [1,0,0,0,1,0|1,0,0]=3 1271 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [1,0,0,0,1,0|1,0,0]=3 1272 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [1,0,0,0,1,0|0,0,1]=3 1273 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [1,0,0,0,1,0|2,0,0]=4 1274 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [1,0,0,0,1,0|2,0,0]=4 1275 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [1,0,0,0,1,0|1,0,1]=4 1276 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [1,0,0,0,1,0|1,0,1]=4 1277 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [1,0,0,0,1,0|2,0,0]=4 1278 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [1,0,0,0,1,0|2,0,0]=4 1279 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [1,0,0,0,1,0|2,0,0]=4 1280 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [1,0,0,0,1,0|2,0,0]=4 1281 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [1,0,0,0,1,0|1,0,1]=4 1282 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [1,0,0,0,1,0|1,0,0]=3 1283 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [1,0,0,0,1,0|0,0,1]=3 1284 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [1,0,0,0,1,0|1,0,0]=3 1285 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [1,0,0,0,1,0|1,0,0]=3 1286 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [1,0,0,0,1,0|1,0,0]=3 1287 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [1,0,0,0,1,0|1,0,1]=4 1288 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [1,0,0,0,1,0|0,1,1]=4 1289 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [1,0,0,0,1,0|0,1,1]=4 1290 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [1,0,0,0,1,0|1,1,0]=4 1291 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [1,0,0,0,1,0|0,1,1]=4 1292 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [1,0,0,0,1,0|1,0,1]=4 1293 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [1,0,0,0,1,0|1,0,1]=4 1294 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [1,0,0,0,1,0|2,0,0]=4 1295 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [1,0,0,0,1,0|2,0,0]=4 1296 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [1,0,0,0,1,0|2,0,0]=4 1297 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [1,0,0,0,1,0|2,0,0]=4 1298 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [1,0,0,0,1,0|2,0,0]=4 1299 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [1,0,0,0,1,0|2,0,0]=4 1300 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [1,0,0,0,1,0|1,0,0]=3 1301 B12R1.452 C=C(C)c1ccc(cc1F)C=O 271570a_100000694244_100000686674 [1,0,0,0,1,0|2,0,0]=4 1302 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [1,0,0,0,1,0|1,0,0]=3 1303 B12R1.452 C=C(C)c1ccc(nc1C)C=O 271570a_100000694244_100010238520 [1,0,0,0,1,0|2,0,0]=4 1304 B12R1.452 C=C(C)c1cnc(cc1C)C=O 271570a_100000694244_100009814806 [1,0,0,0,1,0|2,0,0]=4 1305 B12R1.452 C=C(C)c1ncc(cc1C)C=O 271570a_100000694244_100000070293 [1,0,0,0,1,0|2,0,0]=4 1306 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [1,0,0,0,1,0|1,0,0]=3 1307 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [1,0,0,0,1,0|2,0,0]=4 1308 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [1,0,0,0,1,0|2,0,0]=4 1309 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [1,0,0,0,1,0|2,0,0]=4 1310 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [1,0,0,0,1,0|1,0,0]=3 1311 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [1,0,0,0,1,0|2,0,0]=4 1312 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [1,0,0,0,1,0|1,0,1]=4 1313 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [1,0,0,0,1,0|2,0,0]=4 1314 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [1,0,0,0,1,0|2,0,0]=4 1315 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [1,0,0,0,1,0|2,0,0]=4 1316 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [1,0,0,0,1,0|2,0,0]=4 1317 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [1,0,0,0,1,0|2,0,0]=4 1318 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [1,0,0,0,1,0|2,0,0]=4 1319 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [1,0,0,0,1,0|2,0,0]=4 1320 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [1,0,0,0,1,0|2,0,0]=4 1321 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [1,0,0,0,1,0|2,0,0]=4 1322 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [1,0,0,0,1,0|2,0,0]=4 1323 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [1,0,0,0,1,0|2,0,0]=4 1324 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [1,0,0,0,1,0|2,0,0]=4 1325 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [1,0,0,0,1,0|2,0,0]=4 1326 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [1,0,0,0,1,0|2,0,0]=4 1327 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [1,0,0,0,1,0|2,0,0]=4 1328 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [1,0,0,0,1,0|2,0,0]=4 1329 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [1,0,0,0,1,0|1,0,1]=4 1330 B14R1.1600 C=C(C)COc1ccc(cc1OC)Br 34a_100000694246_100000748629 [1,0,0,0,0,1|2,0,0]=4 1331 B14R1.1600 C=C(C)COc1ccc(cc1OC)Br 7a_100000694246_100000748629 [1,0,0,0,0,1|2,0,0]=4 1332 B14R1.1600 C=C(C)COc1ccc(cc1OC)C 34a_100000186466_100000748629 [1,0,0,0,0,1|1,0,1]=4 1333 B14R1.1600 C=C(C)COc1ccc(cc1OC)Cl 34a_100000033002_100000748629 [1,0,0,0,0,1|2,0,0]=4 1334 B14R1.1600 C=C(C)COc1ccc(cc1OC)F 34a_100000036057_100000748629 [1,0,0,0,0,1|2,0,0]=4 1335 B14R1.1600 C=C(C)COc1ccc(cc1OC)F 7a_100000036057_100000748629 [1,0,0,0,0,1|2,0,0]=4 1336 B14R1.1600 C=C(C)COc1ccc(cc1OC)I 34a_100000049635_100000748629 [1,0,0,0,0,1|2,0,0]=4 1337 B14R1.1600 C=C(C)COc1ccc(cc1OC)N 34a_100000726020_100000748629 [1,0,0,0,0,1|2,0,0]=4 1338 B14R1.1600 COc1cc(ccc1CCC(=O)C)Br 1458a_100000699604_200000210301 [1,0,0,0,0,1|2,0,0]=4 1339 B14R1.1600 COc1cc(ccc1CCC(=O)[13CH3])Br 1458a_100000699604_200025704644 [1,0,0,0,0,1|2,0,0]=4 1340 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 11a_100000062129_100015343762 [1,0,0,0,0,1|2,0,0]=4 1341 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 1626a_100000062129_100015343762 [1,0,0,0,0,1|2,0,0]=4 1342 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 240690a_100000062129_100015343762 [1,0,0,0,0,1|2,0,0]=4 1343 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 527a_100000062129_100103153847 [1,0,0,0,0,1|2,0,0]=4 1344 B14R1.1600 COc1cc(ccc1NNC(=O)C)Cl 22a_100103168642_100000070787 [1,0,0,0,0,1|2,0,0]=4 1345 B14R1.1600 COc1cc(ccc1OCC(=O)C)C 1458a_100000183895_200000210301 [1,0,0,0,0,1|0,0,1]=3 1346 B14R1.1600 COc1cc(ccc1OCC(=O)N)Br 34a_100000694246_100000187820 [1,0,0,0,0,1|2,0,0]=4 1347 B14R1.1600 COc1cc(ccc1OCC(=O)N)Br 7a_100000694246_100000187820 [1,0,0,0,0,1|2,0,0]=4 1348 B14R1.1600 COc1cc(ccc1OCC(=O)N)C 34a_100000186466_100000187820 [1,0,0,0,0,1|1,0,1]=4 1349 B14R1.1600 COc1cc(ccc1OCC(=O)N)Cl 34a_100000033002_100000187820 [1,0,0,0,0,1|2,0,0]=4 1350 B14R1.1600 COc1cc(ccc1OCC(=O)N)F 34a_100000036057_100000187820 [1,0,0,0,0,1|2,0,0]=4 1351 B14R1.1600 COc1cc(ccc1OCC(=O)N)F 7a_100000036057_100000187820 [1,0,0,0,0,1|2,0,0]=4 1352 B14R1.1600 COc1cc(ccc1OCC(=O)N)I 34a_100000049635_100000187820 [1,0,0,0,0,1|2,0,0]=4 1353 B14R1.1600 COc1cc(ccc1OCC(=O)N)N 34a_100000726020_100000187820 [1,0,0,0,0,1|2,0,0]=4 1354 B14R1.1600 COc1cc(ccc1OCC(=O)[13CH3])C 1458a_100000183895_200025704644 [1,0,0,0,0,1|0,0,1]=3 1355 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])Br 34a_100000694246_100020667443 [1,0,0,0,0,1|2,0,0]=4 1356 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])C 34a_100000186466_100020667443 [1,0,0,0,0,1|1,0,1]=4 1357 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])Cl 34a_100000033002_100020667443 [1,0,0,0,0,1|2,0,0]=4 1358 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])F 34a_100000036057_100020667443 [1,0,0,0,0,1|2,0,0]=4 1359 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])I 34a_100000049635_100020667443 [1,0,0,0,0,1|2,0,0]=4 1360 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])N 34a_100000726020_100020667443 [1,0,0,0,0,1|2,0,0]=4 1361 B14R1.103 C=C(C)CSc1ccc(cc1C)C=O 62a_100000748629_100000765772 [1,0,0,0,0,1|1,1,0]=4 1362 B14R1.103 C=C(C)CSc1ccc(cc1C)C=O 62a_100000765772_100000211660 [1,0,0,0,0,1|1,1,0]=4 1363 B14R1.103 C=C(C)CSc1ccc(cc1O)C=O 62a_100000041418_100000211660 [1,0,0,0,0,1|1,1,0]=4 1364 B14R1.103 C=C(C)CSc1ccc(cc1O)C=O 62a_100000748629_100000041418 [1,0,0,0,0,1|1,1,0]=4 1365 B14R1.103 CC(C)COc1ccc(cc1O)C=O 271570a_203496583355_202495808110 [1,0,0,0,0,1|1,0,1]=4 1366 B14R1.103 Cc1cc(ccc1SCC(=O)N)C=O 62a_100000747473_100000765772 [1,0,0,0,0,1|1,1,0]=4 1367 B14R1.103 Cc1cc(ccc1SCC(=O)N)C=O 62a_100000765772_100000747473 [1,0,0,0,0,1|1,1,0]=4 1368 B14R1.103 Cc1cc(ccc1SCC(=O)[O-])C=O 62a_100000765772_100020667443 [1,0,0,0,0,1|1,1,0]=4 1369 B14R1.103 Cc1cc(ccc1SCC(=O)[O-])C=O 62a_100020667443_100000765772 [1,0,0,0,0,1|1,1,0]=4 1370 B14R1.103 NC(=O)CSc1ccc(cc1O)C=O 62a_100000041418_100000747473 [1,0,0,0,0,1|1,1,0]=4 1371 B14R1.103 NC(=O)CSc1ccc(cc1O)C=O 62a_100000747473_100000041418 [1,0,0,0,0,1|1,1,0]=4 1372 B14R1.103 O=Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100000041418_100020667443 [1,0,0,0,0,1|1,1,0]=4 1373 B14R1.103 O=Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100000041418 [1,0,0,0,0,1|1,1,0]=4 1374 B14R1.379 COc1cc(cc(c1)C=C(C)C)C=O 271570a_100102525489_100009816777 [0,0,0,0,1,1|2,0,0]=4 1375 B14R1.3723 C=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100011290941_200011493461 [0,0,0,0,1,1|2,0,0]=4 1376 B14R1.3723 C=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100011290941_200011407902 [0,0,0,0,1,1|2,0,0]=4 1377 B14R1.3723 C=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100011290941_200011016479 [0,0,0,0,1,1|1,0,0]=3 1378 B14R1.3723 COc1ccc(cc1C=C(C)C)C=O 271570a_100102525489_100000173361 [0,0,0,0,1,1|2,0,0]=4 1379 B14R1.3723 COc1ccc(cc1CC(=O)C)C=O 1458a_100000070787_100000028394 [0,0,0,0,1,1|1,0,0]=3 1380 B14R1.3723 COc1cnc(cc1C=C(C)C)C=O 271570a_100102525489_100010893078 [0,0,0,0,1,1|2,0,0]=4 1381 B14R1.3723 COc1ncc(cc1C=C(C)C)C=O 271570a_100102525489_200010064893 [0,0,0,0,1,1|2,0,0]=4 1382 B14R1.1727 COc1c(cccc1C=C(C)C)C=O 271570a_100102525489_100000692592 [0,0,0,0,1,1|2,0,0]=4 1383 B14R1.1727 COc1c(ccnc1C=C(C)C)C=O 271570a_100102525489_200009814792 [0,0,0,0,1,1|2,0,0]=4 1384 B14R1.1727 COc1c(cncc1C=C(C)C)C=O 271570a_100102525489_100015834815 [0,0,0,0,1,1|2,0,0]=4 1385 B14R1.3651 COc1cc(ccc1C=O)C=C(C)C 271570a_100102525489_100000697075 [0,0,0,0,1,1|2,0,0]=4 1386 B14R1.3651 COc1nc(ccc1C=O)C=C(C)C 271570a_100102525489_100009864722 [0,0,0,0,1,1|2,0,0]=4 1387 B16R1.1772 C=C(C)CCSc1ccc(cc1OC)C=O 62a_100000730704_100010244714 [0,0,0,0,0,2|1,1,0]=4 1388 B16R1.1772 C=C(C)CCSc1ccc(cc1OC)C=O 62a_100010244714_100000730704 [0,0,0,0,0,2|1,1,0]=4 1389 B16R1.1772 C=Cc1ccc(c(c1)OC)OCC=C(C)C 34a_100011217988_100000761012 [0,0,0,0,0,2|2,0,0]=4 1390 B16R1.1772 C=Cc1ccc(c(c1)OC)OCCC(=C)C 34a_100011217988_100000730704 [0,0,0,0,0,2|2,0,0]=4 1391 B16R1.1772 C=Cc1ccc(c(c1)OC)OCCC(=O)N 34a_100011217988_100000731001 [0,0,0,0,0,2|2,0,0]=4 1392 B16R1.1772 C=Cc1ccc(c(c1)OC)OCOC(=O)C 34a_100011217988_100009813279 [0,0,0,0,0,2|1,0,0]=3 1393 B16R1.1772 CC(=O)OCSc1ccc(cc1C#N)C=O 62a_100000076356_100010128726 [0,0,0,0,0,2|2,0,0]=4 1394 B16R1.1772 CC(=O)OCSc1ccc(cc1CO)C=O 62a_100000076356_100015639582 [0,0,0,0,0,2|2,0,0]=4 1395 B16R1.1772 CC(=O)OCSc1ccc(cc1CO)C=O 62a_100015639582_100000076356 [0,0,0,0,0,2|2,0,0]=4 1396 B16R1.1772 CCc1ccc(c(c1)OC)OCCC(=O)C 7a_100000186467_100000053229 [0,0,0,0,0,2|1,0,1]=4 1397 B16R1.1772 CCc1ccc(c(c1)OC)OCOC(=O)C 34a_100000186467_100009813279 [0,0,0,0,0,2|1,0,1]=4 1398 B16R1.1772 CCc1ccc(c(c1)OC)SCOC(=O)C 62a_100000076356_200010710389 [0,0,0,0,0,2|1,0,1]=4 1399 B16R1.1772 CCc1ccc(c(c1)OC)SCOC(=O)C 62a_200010710389_100000076356 [0,0,0,0,0,2|1,0,1]=4 1400 B16R1.1772 COc1cc(ccc1NCOC(=O)C)C#N 34a_100000701993_100009813279 [0,0,0,0,0,2|1,0,1]=4 1401 B16R1.1772 COc1cc(ccc1NCOC(=O)C)CO 34a_100000087641_100009813279 [0,0,0,0,0,2|0,0,2]=4 1402 B16R1.1772 COc1cc(ccc1NCOC(=O)C)SC 34a_100000766855_100009813279 [0,0,0,0,0,2|2,0,0]=4 1403 B16R1.1772 COc1cc(ccc1OCCC(=O)C)C#N 7a_100000184589_100000053229 [0,0,0,0,0,2|1,0,1]=4 1404 B16R1.1772 COc1cc(ccc1OCCC(=O)C)C=O 1458a_100000070787_200009815835 [0,0,0,0,0,2|0,0,0]=2 1405 B16R1.1772 COc1cc(ccc1OCCN(C)C)C=O 2230a_100102631434_200009815835 [0,0,0,0,0,2|2,0,0]=4 1406 B16R1.1772 COc1cc(ccc1OCCN(C)C)C=O 269982a_100102631434_200009815835 [0,0,0,0,0,2|2,0,0]=4 1407 B16R1.1772 COc1cc(ccc1OCOC(=O)C)C#N 34a_100000184589_100009813279 [0,0,0,0,0,2|1,0,1]=4 1408 B16R1.1772 COc1cc(ccc1OCOC(=O)C)CN 34a_100000185554_100009813279 [0,0,0,0,0,2|1,0,1]=4 1409 B16R1.1772 COc1cc(ccc1SCC=C(C)C)C=O 62a_100000761012_100010244714 [0,0,0,0,0,2|1,1,0]=4 1410 B16R1.1772 COc1cc(ccc1SCC=C(C)C)C=O 62a_100010244714_100000761012 [0,0,0,0,0,2|1,1,0]=4 1411 B16R1.1772 COc1cc(ccc1SCCC(=O)C)C=O 62a_100000053229_100010244714 [0,0,0,0,0,2|0,1,0]=3 1412 B16R1.1772 COc1cc(ccc1SCCC(=O)C)C=O 62a_100010244714_100000053229 [0,0,0,0,0,2|0,1,0]=3 1413 B16R1.1772 COc1cc(ccc1SCCC(=O)N)C=O 62a_100000744528_100010244714 [0,0,0,0,0,2|1,1,0]=4 1414 B16R1.1772 COc1cc(ccc1SCCC(=O)N)C=O 62a_100010244714_100000744528 [0,0,0,0,0,2|1,1,0]=4 1415 B16R1.1772 COc1cc(ccc1SCOC(=O)C)C#N 62a_100000076356_100012356288 [0,0,0,0,0,2|1,0,1]=4 1416 B16R1.1772 COc1cc(ccc1SCOC(=O)C)C=O 62a_100000076356_100010244714 [0,0,0,0,0,2|0,0,0]=2 1417 B16R1.1772 COc1cc(ccc1SCOC(=O)C)C=O 62a_100010244714_100000076356 [0,0,0,0,0,2|0,0,0]=2 1418 B16R1.1772 COc1cc(ccc1SCOC(=O)C)CO 62a_100000076356_100010234685 [0,0,0,0,0,2|0,0,2]=4 1419 B16R1.1772 COc1cc(ccc1SCOC(=O)C)CO 62a_100010234685_100000076356 [0,0,0,0,0,2|0,0,2]=4 1420 B16R1.1772 COc1cc(ccc1SCOC(C)C)C=O 62a_100000709892_100010244714 [0,0,0,0,0,2|1,0,1]=4 1421 B16R1.1772 COc1cc(ccc1SCOC(C)C)C=O 62a_100010244714_100000709892 [0,0,0,0,0,2|1,0,1]=4 1422 B16R1.1772 COc1ccc(c(c1)OC)NCOC(=O)C 34a_100000211191_100009813279 [0,0,0,0,0,2|2,0,0]=4 1423 B16R1.1772 COc1ccc(c(c1)OC)OCOC(=O)C 34a_100009840267_100009813279 [0,0,0,0,0,2|2,0,0]=4 1424 B16R1.1772 COc1ccc(c(c1)OC)SCOC(=O)C 62a_100000076356_100000750026 [0,0,0,0,0,2|2,0,0]=4 1425 B16R1.1772 COc1ccc(c(c1)OC)SCOC(=O)C 62a_100000750026_100000076356 [0,0,0,0,0,2|2,0,0]=4