0 B14R2.203 C=Cc1c(ccc2c1cccc2)Br 271570a_100011290941_100010090040 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.203 C=Cc1c(ccc2c1cccc2)C 271570a_100011290941_100000759710 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.203 C=Cc1c(ccc2c1cccc2)N 271570a_100011290941_100000705303 [0,0,0,0,0,0|2,0,1]=3 3 B14R2.203 C=Cc1c(ccc2c1cccc2)O 271570a_100011290941_100000183829 [0,0,0,0,0,0|1,0,1]=2 4 B14R2.203 C=Cc1c(ccc2c1cccn2)N 271570a_100011290941_200009995563 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.203 C=Cc1c(ccc2c1ccnc2)C 271570a_100011290941_100010204589 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.203 C=Cc1c(ccc2c1ccnc2)F 271570a_100011290941_100010272212 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.203 C=Cc1c(ccc2c1ccnc2)N 271570a_100011290941_100010245214 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.203 C=Cc1c(ccc2c1cncc2)F 271570a_100011290941_200015767032 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.203 C=Cc1c(ccc2c1cncc2)O 271570a_100011290941_200010115057 [0,0,0,0,0,0|2,0,1]=3 10 B14R2.203 C=Cc1c(ccc2c1nccc2)O 271570a_100011290941_100010173343 [0,0,0,0,0,0|2,0,1]=3 11 B14R2.203 C=Cc1c(cnc2c1cccc2)Br 271570a_100011290941_200010179490 [0,0,0,0,0,0|3,0,1]=4 12 B14R2.203 C=Cc1c(cnc2c1cccc2)C 271570a_100011290941_100000092342 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.203 C=Cc1c(cnc2c1cccc2)N 271570a_100011290941_100012243074 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.203 C=Cc1c(ncc2c1cccc2)N 271570a_100011290941_100009994184 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B14R2.203 CNc1c(ccc2c1cccn2)C 34a_100011933972_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B14R2.203 CNc1c(ccc2c1nccc2)C 34a_100000065890_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.203 CNc1c(cnc2c1cccc2)C 27a_100102657272_100000092342 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,0,0,0,0,0|2,0,0]=2 28 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,0,0,0,0,0|3,0,0]=3 32 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,0,0,0,0,0|3,0,0]=3 34 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,0,0,0,0,0|3,0,0]=3 36 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,0,0,0,0,0|3,0,0]=3 38 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,0,0,0,0,0|2,0,0]=2 39 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200000210301_200009995563 [0,0,0,0,0,0|4,0,0]=4 40 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200009995563_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_100010204589_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B14R2.203 CSc1c(ccc2c1ccnc2)C 62a_200000210301_100010204589 [0,0,0,0,0,0|4,0,0]=4 43 B14R2.203 CSc1c(ccc2c1ccnc2)F 62a_100010272212_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B14R2.203 CSc1c(ccc2c1ccnc2)F 62a_200000210301_100010272212 [0,0,0,0,0,0|4,0,0]=4 45 B14R2.203 CSc1c(ccc2c1ccnc2)N 62a_100010245214_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B14R2.203 CSc1c(ccc2c1ccnc2)N 62a_200000210301_100010245214 [0,0,0,0,0,0|4,0,0]=4 47 B14R2.203 CSc1c(ccc2c1cncc2)F 62a_200000210301_200015767032 [0,0,0,0,0,0|4,0,0]=4 48 B14R2.203 CSc1c(ccc2c1cncc2)F 62a_200015767032_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B14R2.203 CSc1c(ccc2c1cncc2)O 62a_200000210301_200010115057 [0,0,0,0,0,0|3,0,0]=3 50 B14R2.203 CSc1c(ccc2c1nccc2)O 62a_200000210301_100010173343 [0,0,0,0,0,0|3,0,0]=3 51 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200000210301_200010179490 [0,0,0,0,0,0|4,0,0]=4 52 B14R2.203 CSc1c(cnc2c1cccc2)Br 62a_200010179490_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B14R2.203 CSc1c(cnc2c1cccc2)C 62a_200000210301_100000092342 [0,0,0,0,0,0|4,0,0]=4 54 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_100009995561_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B14R2.203 CSc1c(cnc2c1cccc2)N 62a_200000210301_100012243074 [0,0,0,0,0,0|4,0,0]=4 56 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_100009994184_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B14R2.203 CSc1c(ncc2c1cccc2)N 62a_200000210301_100009994184 [0,0,0,0,0,0|4,0,0]=4 58 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,0,0,0,0,0|3,0,0]=3 59 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,0,0,0,0,0|3,0,0]=3 60 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,0,0,0,0,0|3,0,0]=3 61 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,0,0,0,0,0|3,0,0]=3 62 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,0,0,0,0,0|3,0,0]=3 63 B14R2.203 Cc1ccc2cccnc2c1N[13CH3] 34a_100000065890_200025704644 [0,0,0,0,0,0|4,0,0]=4 64 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_100010204589_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B14R2.203 Cc1ccc2cnccc2c1S[13CH3] 62a_200025704644_100010204589 [0,0,0,0,0,0|4,0,0]=4 66 B14R2.203 Cc1ccc2ncccc2c1N[13CH3] 34a_100011933972_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B14R2.203 Cc1cnc2ccccc2c1S[13CH3] 62a_200025704644_100000092342 [0,0,0,0,0,0|4,0,0]=4 68 B14R2.203 O=Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010090029 [0,0,0,0,0,0|1,0,1]=2 69 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,0,0,0,0,0|2,0,0]=2 72 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,0,0,0,0,0|3,0,0]=3 79 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,0,0,0,0,0|3,0,0]=3 80 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,0,0,0,0,0|3,0,0]=3 82 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,0,0,0,0,0|2,0,0]=2 83 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200009995563_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200025704644_200009995563 [0,0,0,0,0,0|4,0,0]=4 85 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)F 62a_100010272212_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)F 62a_200025704644_100010272212 [0,0,0,0,0,0|4,0,0]=4 87 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)N 62a_100010245214_200025704644 [0,0,0,0,0,0|4,0,0]=4 88 B14R2.203 [13CH3]Sc1c(ccc2c1ccnc2)N 62a_200025704644_100010245214 [0,0,0,0,0,0|4,0,0]=4 89 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)F 62a_200015767032_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)F 62a_200025704644_200015767032 [0,0,0,0,0,0|4,0,0]=4 91 B14R2.203 [13CH3]Sc1c(ccc2c1cncc2)O 62a_200025704644_200010115057 [0,0,0,0,0,0|3,0,0]=3 92 B14R2.203 [13CH3]Sc1c(ccc2c1nccc2)O 62a_200025704644_100010173343 [0,0,0,0,0,0|3,0,0]=3 93 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200010179490_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)Br 62a_200025704644_200010179490 [0,0,0,0,0,0|4,0,0]=4 95 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_100009995561_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B14R2.203 [13CH3]Sc1c(cnc2c1cccc2)N 62a_200025704644_100012243074 [0,0,0,0,0,0|4,0,0]=4 97 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_100009994184_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B14R2.203 [13CH3]Sc1c(ncc2c1cccc2)N 62a_200025704644_100009994184 [0,0,0,0,0,0|4,0,0]=4 99 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,0,0,0,0,0|0,0,0]=1 100 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,0,0,0,0,0|1,0,0]=2 101 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,0,0,0,0,0|1,0,0]=2 102 B13R2.32 Cc1c(ccc2c1nccn2)O 271570a_203496583355_100135414757 [1,0,0,0,0,0|2,0,0]=3 103 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,0,0,0,0,0|2,0,0]=3 104 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [1,0,0,0,0,0|3,0,0]=4 105 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [1,0,0,0,0,0|3,0,0]=4 106 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,0,0,0,0,0|0,0,0]=1 107 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,0,0,0,0,0|1,0,0]=2 108 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [1,0,0,0,0,0|1,0,0]=2 109 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,0,0,0,0,0|1,0,0]=2 110 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [1,0,0,0,0,0|1,0,0]=2 111 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,0,0,0,0,0|2,0,0]=3 112 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [1,0,0,0,0,0|3,0,0]=4 113 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [1,0,0,0,0,0|3,0,0]=4 114 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [1,0,0,0,0,0|3,0,0]=4 115 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [1,0,0,0,0,0|3,0,0]=4 116 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,0,0,0,0,0|2,0,0]=3 117 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,0,0,0,0,0|2,0,0]=3 118 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,0,0,0,0,0|2,0,0]=3 119 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [1,0,0,0,0,0|3,0,0]=4 120 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [1,0,0,0,0,0|3,0,0]=4 121 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [1,0,0,0,0,0|3,0,0]=4 122 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,0,0,0,0,0|1,0,0]=2 123 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,0,0,0,0,0|1,0,0]=2 124 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,0,0,0,0,0|1,0,0]=2 125 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,0,0,0,0,0|1,0,0]=2 126 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,0,0,0,0,0|2,0,0]=3 127 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,0,0,0,0,0|2,0,0]=3 128 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,0,0,0,0,0|2,0,0]=3 129 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,0,0,0,0,0|2,0,0]=3 130 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,0,0,0,0,0|2,0,0]=3 131 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [1,0,0,0,0,0|3,0,0]=4 132 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [1,0,0,0,0,0|1,0,1]=3 133 B13R2.1613 C=Cc1cccc2c1cccn2 271570a_100011290941_100011290932 [1,0,0,0,0,0|2,0,1]=4 134 B13R2.1613 C=Cc1cccc2c1ccnc2 271570a_100011290941_100000186358 [1,0,0,0,0,0|2,0,1]=4 135 B13R2.1613 C=Cc1cccc2c1cncc2 271570a_100011290941_100000685578 [1,0,0,0,0,0|2,0,1]=4 136 B13R2.1613 C=Cc1cccc2c1nccc2 271570a_100011290941_100011215545 [1,0,0,0,0,0|2,0,1]=4 137 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [1,0,0,0,0,0|2,0,1]=4 138 B13R2.1613 C=Cc1cncc2c1cccc2 271570a_100011290941_100000187577 [1,0,0,0,0,0|2,0,1]=4 139 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [1,0,0,0,0,0|2,0,1]=4 140 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [1,0,0,0,0,0|2,0,0]=3 141 B13R2.1613 CNc1cccc2c1cccn2 27a_100102657272_100011290932 [1,0,0,0,0,0|3,0,0]=4 142 B13R2.1613 CNc1cccc2c1cccn2 34a_100000183906_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B13R2.1613 CNc1cccc2c1nccc2 34a_100000181377_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [1,0,0,0,0,0|3,0,0]=4 145 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [1,0,0,0,0,0|3,0,0]=4 146 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,0,0,0,0,0|2,0,0]=3 147 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,0,0,0,0,0|2,0,0]=3 148 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [1,0,0,0,0,0|3,0,0]=4 152 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [1,0,0,0,0,0|2,0,0]=3 156 B13R2.1613 CSc1cccc2c1cccn2 62a_100011290932_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B13R2.1613 CSc1cccc2c1cccn2 62a_200000210301_100011290932 [1,0,0,0,0,0|3,0,0]=4 158 B13R2.1613 CSc1cccc2c1ccnc2 62a_100000186358_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B13R2.1613 CSc1cccc2c1ccnc2 62a_200000210301_100000186358 [1,0,0,0,0,0|3,0,0]=4 160 B13R2.1613 CSc1cccc2c1cncc2 62a_100000685578_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B13R2.1613 CSc1cccc2c1cncc2 62a_200000210301_100000685578 [1,0,0,0,0,0|3,0,0]=4 162 B13R2.1613 CSc1cccc2c1nccc2 62a_200000210301_100011215545 [1,0,0,0,0,0|3,0,0]=4 163 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [1,0,0,0,0,0|3,0,0]=4 165 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [1,0,0,0,0,0|3,0,0]=4 166 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [1,0,0,0,0,0|3,0,0]=4 167 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [1,0,0,0,0,0|3,0,0]=4 169 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [1,0,0,0,0,0|2,0,0]=3 170 B13R2.1613 [13CH3]Nc1cccc2c1cccn2 34a_100000183906_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B13R2.1613 [13CH3]Nc1cccc2c1nccc2 34a_100000181377_200025704644 [1,0,0,0,0,0|3,0,0]=4 172 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [1,0,0,0,0,0|3,0,0]=4 175 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [1,0,0,0,0,0|3,0,0]=4 176 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [1,0,0,0,0,0|2,0,0]=3 182 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_100011290932_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_200025704644_100011290932 [1,0,0,0,0,0|3,0,0]=4 184 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_100000186358_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_200025704644_100000186358 [1,0,0,0,0,0|3,0,0]=4 186 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_100000685578_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_200025704644_100000685578 [1,0,0,0,0,0|3,0,0]=4 188 B13R2.1613 [13CH3]Sc1cccc2c1nccc2 62a_200025704644_100011215545 [1,0,0,0,0,0|3,0,0]=4 189 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [1,0,0,0,0,0|3,0,0]=4 191 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [1,0,0,0,0,0|3,0,0]=4 193 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [1,0,0,0,0,0|3,0,0]=4 195 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)Br 271570a_100000694244_100010090040 [0,1,0,0,0,0|2,0,1]=4 196 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)C 271570a_100000694244_100000759710 [0,1,0,0,0,0|2,0,1]=4 197 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)N 271570a_100000694244_100000705303 [0,1,0,0,0,0|2,0,1]=4 198 B15R2.1162 C=C(C)c1c(ccc2c1cccc2)O 271570a_100000694244_100000183829 [0,1,0,0,0,0|1,0,1]=3 199 B15R2.1162 C=C(C)c1c(ccc2c1cncc2)O 271570a_100000694244_200010115057 [0,1,0,0,0,0|2,0,1]=4 200 B15R2.1162 C=C(C)c1c(ccc2c1nccc2)O 271570a_100000694244_100010173343 [0,1,0,0,0,0|2,0,1]=4 201 B15R2.1162 CC(=O)c1c(ccc2c1cccc2)C 1458a_100011933975_200000210301 [0,1,0,0,0,0|2,0,1]=4 202 B15R2.1162 CC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_200000210301 [0,1,0,0,0,0|1,0,1]=3 203 B15R2.1162 Cc1ccc2ccccc2c1C(=O)[13CH3] 1458a_100011933975_200025704644 [0,1,0,0,0,0|2,0,1]=4 204 B15R2.1162 [13CH3]C(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_200025704644 [0,1,0,0,0,0|1,0,1]=3 205 B15R2.2115 C=Cc1c(ccc2c1cccc2)C=O 271570a_100011290941_100009813496 [0,1,0,0,0,0|1,0,2]=4 206 B15R2.2115 C=Cc1c(ccc2c1cccc2)OC 271570a_100011290941_100000173347 [0,1,0,0,0,0|1,0,1]=3 207 B15R2.2115 C=Cc1c(ccc2c1nccc2)OC 271570a_100011290941_100010071576 [0,1,0,0,0,0|2,0,1]=4 208 B15R2.2115 C=Cc1ccc2ccccc2c1C=O 271570a_100011290941_100010090029 [0,1,0,0,0,0|2,0,1]=4 209 B15R2.2115 C=Cc1ccc2ccccc2c1OC 271570a_100011290941_100010089960 [0,1,0,0,0,0|3,0,0]=4 210 B15R2.2115 CNc1c(ccc2c1cccc2)OC 34a_100009884440_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B15R2.2115 COc1c(ccc2c1cccc2)N=O 34a_100000212301_200000210301 [0,1,0,0,0,0|2,0,1]=4 212 B15R2.2115 COc1c(ccc2c1cccc2)SC 62a_200000210301_100010089960 [0,1,0,0,0,0|2,1,0]=4 213 B15R2.2115 COc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010089960 [0,1,0,0,0,0|2,1,0]=4 214 B15R2.2115 COc1ccc2ccccc2c1N=O 34a_100000212102_200000210301 [0,1,0,0,0,0|2,0,0]=3 215 B15R2.2115 COc1ccc2ccccc2c1N=O 7a_100000212102_200000210301 [0,1,0,0,0,0|2,0,0]=3 216 B15R2.2115 COc1ccc2ccccc2c1N[13CH3] 34a_100009884440_200025704644 [0,1,0,0,0,0|2,0,0]=3 217 B15R2.2115 COc1ccc2ccccc2c1SC 62a_200000210301_100000173347 [0,1,0,0,0,0|2,0,0]=3 218 B15R2.2115 COc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000173347 [0,1,0,0,0,0|2,0,0]=3 219 B15R2.2115 COc1ccc2cccnc2c1SC 62a_200000210301_100010071576 [0,1,0,0,0,0|3,0,0]=4 220 B15R2.2115 COc1ccc2cccnc2c1S[13CH3] 62a_200025704644_100010071576 [0,1,0,0,0,0|3,0,0]=4 221 B15R2.2115 COc1cnc2ccccc2c1C#N 7a_100009853984_200000210301 [0,1,0,0,0,0|1,0,2]=4 222 B15R2.2115 CSc1c(ccc2c1cccc2)C=O 62a_100009813496_200000210301 [0,1,0,0,0,0|2,0,1]=4 223 B15R2.2115 CSc1c(ccc2c1cccc2)C=O 62a_200000210301_100009813496 [0,1,0,0,0,0|2,0,1]=4 224 B15R2.2115 CSc1ccc2ccccc2c1C=O 62a_100010090029_200000210301 [0,1,0,0,0,0|1,1,1]=4 225 B15R2.2115 [13CH3]Oc1c(ccc2c1cccc2)N=O 34a_100000212301_200025704644 [0,1,0,0,0,0|2,0,1]=4 226 B15R2.2115 [13CH3]Oc1ccc2ccccc2c1N=O 34a_100000212102_200025704644 [0,1,0,0,0,0|2,0,0]=3 227 B15R2.2115 [13CH3]Oc1ccc2ccccc2c1N=O 7a_100000212102_200025704644 [0,1,0,0,0,0|2,0,0]=3 228 B15R2.2115 [13CH3]Oc1cnc2ccccc2c1C#N 7a_100009853984_200025704644 [0,1,0,0,0,0|1,0,2]=4 229 B15R2.2115 [13CH3]Sc1c(ccc2c1cccc2)C=O 62a_100009813496_200025704644 [0,1,0,0,0,0|2,0,1]=4 230 B15R2.2115 [13CH3]Sc1c(ccc2c1cccc2)C=O 62a_200025704644_100009813496 [0,1,0,0,0,0|2,0,1]=4 231 B15R2.2115 [13CH3]Sc1ccc2ccccc2c1C=O 62a_100010090029_200025704644 [0,1,0,0,0,0|1,1,1]=4 232 B15R2.5773 C=Cc1c(ccc2c1ccc(n2)C)O 271570a_100011290941_100010269489 [0,1,0,0,0,0|2,0,1]=4 233 B15R2.5773 CSc1c(ccc2c1ccc(n2)C)O 62a_200000210301_100010269489 [0,1,0,0,0,0|3,0,0]=4 234 B15R2.5773 Cc1ccc2c(c(ccc2n1)O)S[13CH3] 62a_200025704644_100010269489 [0,1,0,0,0,0|3,0,0]=4 235 B15R2.6124 CNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B15R2.6124 CNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200000210301 [0,1,0,0,0,0|3,0,0]=4 239 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200025704644 [0,1,0,0,0,0|3,0,0]=4 243 B15R2.9941 C=C=Cc1c(ccc2c1cccc2)Br 271570a_100015277604_100010090040 [0,1,0,0,0,0|2,0,1]=4 244 B15R2.9941 C=C=Cc1c(ccc2c1cccc2)C 271570a_100015277604_100000759710 [0,1,0,0,0,0|2,0,1]=4 245 B15R2.9941 C=C=Cc1c(ccc2c1cccc2)N 271570a_100015277604_100000705303 [0,1,0,0,0,0|2,0,1]=4 246 B15R2.9941 C=C=Cc1c(ccc2c1cccc2)O 271570a_100015277604_100000183829 [0,1,0,0,0,0|1,0,1]=3 247 B15R2.9941 C=C=Cc1c(ccc2c1cncc2)O 271570a_100015277604_200010115057 [0,1,0,0,0,0|2,0,1]=4 248 B15R2.9941 C=C=Cc1c(ccc2c1nccc2)O 271570a_100015277604_100010173343 [0,1,0,0,0,0|2,0,1]=4 249 B15R2.9941 CC=Cc1c(ccc2c1cccc2)Br 271570a_100016259895_100010090040 [0,1,0,0,0,0|2,0,1]=4 250 B15R2.9941 CC=Cc1c(ccc2c1cccc2)C 271570a_100016259895_100000759710 [0,1,0,0,0,0|2,0,1]=4 251 B15R2.9941 CC=Cc1c(ccc2c1cccc2)N 271570a_100016259895_100000705303 [0,1,0,0,0,0|2,0,1]=4 252 B15R2.9941 CC=Cc1c(ccc2c1cccc2)O 271570a_100016259895_100000183829 [0,1,0,0,0,0|1,0,1]=3 253 B15R2.9941 CC=Cc1c(ccc2c1cncc2)O 271570a_100016259895_200010115057 [0,1,0,0,0,0|2,0,1]=4 254 B15R2.9941 CC=Cc1c(ccc2c1nccc2)O 271570a_100016259895_100010173343 [0,1,0,0,0,0|2,0,1]=4 255 B15R2.9941 CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210202 [0,1,0,0,0,0|2,0,0]=3 256 B15R2.9941 CCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210202 [0,1,0,0,0,0|2,0,0]=3 257 B15R2.9941 CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210202 [0,1,0,0,0,0|2,0,0]=3 258 B15R2.9941 CCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210202 [0,1,0,0,0,0|1,0,0]=2 259 B15R2.9941 CCNc1c(ccc2c1cccn2)C 34a_100011933972_100000210202 [0,1,0,0,0,0|3,0,0]=4 260 B15R2.9941 CCNc1c(ccc2c1nccc2)C 34a_100000065890_100000210202 [0,1,0,0,0,0|3,0,0]=4 261 B15R2.9941 CCNc1c(cnc2c1cccc2)C 27a_100015525214_100000092342 [0,1,0,0,0,0|3,0,0]=4 262 B15R2.9941 CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210202 [0,1,0,0,0,0|2,0,0]=3 263 B15R2.9941 CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210202 [0,1,0,0,0,0|2,0,0]=3 264 B15R2.9941 CCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210202 [0,1,0,0,0,0|2,0,0]=3 265 B15R2.9941 CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210202 [0,1,0,0,0,0|2,0,0]=3 266 B15R2.9941 CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210202 [0,1,0,0,0,0|2,0,0]=3 267 B15R2.9941 CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100000210202 [0,1,0,0,0,0|3,0,0]=4 268 B15R2.9941 CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100000210202 [0,1,0,0,0,0|3,0,0]=4 269 B15R2.9941 CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000210202 [0,1,0,0,0,0|3,0,0]=4 270 B15R2.9941 CCSc1c(ccc2c1cccc2)Br 62a_100000210202_100010090040 [0,1,0,0,0,0|2,0,0]=3 271 B15R2.9941 CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210202 [0,1,0,0,0,0|2,0,0]=3 272 B15R2.9941 CCSc1c(ccc2c1cccc2)C 62a_100000210202_100000759710 [0,1,0,0,0,0|2,0,0]=3 273 B15R2.9941 CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210202 [0,1,0,0,0,0|2,0,0]=3 274 B15R2.9941 CCSc1c(ccc2c1cccc2)N 62a_100000210202_100000705303 [0,1,0,0,0,0|2,0,0]=3 275 B15R2.9941 CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210202 [0,1,0,0,0,0|2,0,0]=3 276 B15R2.9941 CCSc1c(ccc2c1cccc2)O 62a_100000210202_100000183829 [0,1,0,0,0,0|1,0,0]=2 277 B15R2.9941 CCSc1c(ccc2c1cccn2)N 62a_100000210202_200009995563 [0,1,0,0,0,0|3,0,0]=4 278 B15R2.9941 CCSc1c(ccc2c1cccn2)N 62a_200009995563_100000210202 [0,1,0,0,0,0|3,0,0]=4 279 B15R2.9941 CCSc1c(ccc2c1ccnc2)C 62a_100000210202_100010204589 [0,1,0,0,0,0|3,0,0]=4 280 B15R2.9941 CCSc1c(ccc2c1ccnc2)C 62a_100010204589_100000210202 [0,1,0,0,0,0|3,0,0]=4 281 B15R2.9941 CCSc1c(ccc2c1ccnc2)F 62a_100000210202_100010272212 [0,1,0,0,0,0|3,0,0]=4 282 B15R2.9941 CCSc1c(ccc2c1ccnc2)F 62a_100010272212_100000210202 [0,1,0,0,0,0|3,0,0]=4 283 B15R2.9941 CCSc1c(ccc2c1ccnc2)N 62a_100000210202_100010245214 [0,1,0,0,0,0|3,0,0]=4 284 B15R2.9941 CCSc1c(ccc2c1ccnc2)N 62a_100010245214_100000210202 [0,1,0,0,0,0|3,0,0]=4 285 B15R2.9941 CCSc1c(ccc2c1cncc2)F 62a_100000210202_200015767032 [0,1,0,0,0,0|3,0,0]=4 286 B15R2.9941 CCSc1c(ccc2c1cncc2)F 62a_200015767032_100000210202 [0,1,0,0,0,0|3,0,0]=4 287 B15R2.9941 CCSc1c(ccc2c1cncc2)O 62a_100000210202_200010115057 [0,1,0,0,0,0|2,0,0]=3 288 B15R2.9941 CCSc1c(ccc2c1nccc2)O 62a_100000210202_100010173343 [0,1,0,0,0,0|2,0,0]=3 289 B15R2.9941 CCSc1c(cnc2c1cccc2)Br 62a_100000210202_200010179490 [0,1,0,0,0,0|3,0,0]=4 290 B15R2.9941 CCSc1c(cnc2c1cccc2)Br 62a_200010179490_100000210202 [0,1,0,0,0,0|3,0,0]=4 291 B15R2.9941 CCSc1c(cnc2c1cccc2)C 62a_100000210202_100000092342 [0,1,0,0,0,0|3,0,0]=4 292 B15R2.9941 CCSc1c(cnc2c1cccc2)N 62a_100000210202_100012243074 [0,1,0,0,0,0|3,0,0]=4 293 B15R2.9941 CCSc1c(cnc2c1cccc2)N 62a_100009995561_100000210202 [0,1,0,0,0,0|3,0,0]=4 294 B15R2.9941 CCSc1c(ncc2c1cccc2)N 62a_100000210202_100009994184 [0,1,0,0,0,0|3,0,0]=4 295 B15R2.9941 CCSc1c(ncc2c1cccc2)N 62a_100009994184_100000210202 [0,1,0,0,0,0|3,0,0]=4 296 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 207a_100102657272_100010090029 [0,1,0,0,0,0|1,0,0]=2 297 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 26a_100102657272_100009996032 [0,1,0,0,0,0|1,0,0]=2 298 B15R2.9941 CNCc1c(ccc2c1cccc2)Br 270004a_106832991635_100010090029 [0,1,0,0,0,0|1,0,0]=2 299 B15R2.9941 CNCc1c(ccc2c1cccc2)C 207a_100102657272_100011361466 [0,1,0,0,0,0|1,0,0]=2 300 B15R2.9941 CNCc1c(ccc2c1cccc2)C 2230a_106832991635_100000689653 [0,1,0,0,0,0|1,0,0]=2 301 B15R2.9941 CNCc1c(ccc2c1cccc2)C 270004a_106832991635_100011361466 [0,1,0,0,0,0|1,0,0]=2 302 B15R2.9941 CNCc1c(ccc2c1cccc2)C 34a_100102657272_100000689653 [0,1,0,0,0,0|1,0,0]=2 303 B15R2.9941 CNCc1c(ccc2c1cccc2)C 7a_106832991635_100000689653 [0,1,0,0,0,0|1,0,0]=2 304 B15R2.9941 COCc1c(ccc2c1cccc2)C 34a_100138415774_100000689653 [0,1,0,0,0,0|2,0,0]=3 305 B15R2.9941 COCc1c(ccc2c1nccc2)Cl 34a_100000698065_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_100000689653_200000210301 [0,1,0,0,0,0|2,0,0]=3 307 B15R2.9941 CSCc1c(ccc2c1cccc2)C 62a_200000210301_100000689653 [0,1,0,0,0,0|2,0,0]=3 308 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_100000689653_200025704644 [0,1,0,0,0,0|2,0,0]=3 309 B15R2.9941 Cc1ccc2ccccc2c1CS[13CH3] 62a_200025704644_100000689653 [0,1,0,0,0,0|2,0,0]=3 310 B15R2.9941 Cc1ccc2ccccc2c1NCF 34a_100000688109_100015361967 [0,1,0,0,0,0|2,0,0]=3 311 B15R2.9941 Cc1ccc2ccccc2c1OCF 34a_100000039261_100015361967 [0,1,0,0,0,0|2,0,0]=3 312 B15R2.9941 Cc1ccc2ccccc2c1OCF 7a_100000039261_100015361967 [0,1,0,0,0,0|2,0,0]=3 313 B15R2.9941 Cc1ccc2ccccc2c1SCF 62a_100000759710_100015361967 [0,1,0,0,0,0|2,0,0]=3 314 B15R2.9941 Cc1ccc2ccccc2c1SCF 62a_100015361967_100000759710 [0,1,0,0,0,0|2,0,0]=3 315 B15R2.9941 Cc1ccc2cccnc2c1NCF 34a_100000065890_100015361967 [0,1,0,0,0,0|3,0,0]=4 316 B15R2.9941 Cc1ccc2cnccc2c1SCF 62a_100010204589_100015361967 [0,1,0,0,0,0|3,0,0]=4 317 B15R2.9941 Cc1ccc2cnccc2c1SCF 62a_100015361967_100010204589 [0,1,0,0,0,0|3,0,0]=4 318 B15R2.9941 Cc1ccc2ncccc2c1NCF 34a_100011933972_100015361967 [0,1,0,0,0,0|3,0,0]=4 319 B15R2.9941 Cc1cnc2ccccc2c1SCF 62a_100015361967_100000092342 [0,1,0,0,0,0|3,0,0]=4 320 B15R2.9941 FCNc1c(ccc2c1cccc2)Br 34a_100009817101_100015361967 [0,1,0,0,0,0|2,0,0]=3 321 B15R2.9941 FCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100015361967 [0,1,0,0,0,0|2,0,0]=3 322 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 34a_100009996032_100015361967 [0,1,0,0,0,0|2,0,0]=3 323 B15R2.9941 FCOc1c(ccc2c1cccc2)Br 7a_100009996032_100015361967 [0,1,0,0,0,0|2,0,0]=3 324 B15R2.9941 FCOc1c(ccc2c1nccc2)Br 34a_100009816563_100015361967 [0,1,0,0,0,0|3,0,0]=4 325 B15R2.9941 FCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100015361967 [0,1,0,0,0,0|3,0,0]=4 326 B15R2.9941 FCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100015361967 [0,1,0,0,0,0|3,0,0]=4 327 B15R2.9941 FCSc1c(ccc2c1cccc2)Br 62a_100010090040_100015361967 [0,1,0,0,0,0|2,0,0]=3 328 B15R2.9941 FCSc1c(ccc2c1cccc2)Br 62a_100015361967_100010090040 [0,1,0,0,0,0|2,0,0]=3 329 B15R2.9941 FCSc1c(ccc2c1ccnc2)F 62a_100010272212_100015361967 [0,1,0,0,0,0|3,0,0]=4 330 B15R2.9941 FCSc1c(ccc2c1ccnc2)F 62a_100015361967_100010272212 [0,1,0,0,0,0|3,0,0]=4 331 B15R2.9941 FCSc1c(ccc2c1cncc2)F 62a_100015361967_200015767032 [0,1,0,0,0,0|3,0,0]=4 332 B15R2.9941 FCSc1c(ccc2c1cncc2)F 62a_200015767032_100015361967 [0,1,0,0,0,0|3,0,0]=4 333 B15R2.9941 FCSc1c(cnc2c1cccc2)Br 62a_100015361967_200010179490 [0,1,0,0,0,0|3,0,0]=4 334 B15R2.9941 FCSc1c(cnc2c1cccc2)Br 62a_200010179490_100015361967 [0,1,0,0,0,0|3,0,0]=4 335 B15R2.9941 Nc1ccc2ccccc2c1OCF 34a_100000007060_100015361967 [0,1,0,0,0,0|2,0,0]=3 336 B15R2.9941 Nc1ccc2ccccc2c1SCF 62a_100000705303_100015361967 [0,1,0,0,0,0|2,0,0]=3 337 B15R2.9941 Nc1ccc2ccccc2c1SCF 62a_100015361967_100000705303 [0,1,0,0,0,0|2,0,0]=3 338 B15R2.9941 Nc1ccc2cnccc2c1SCF 62a_100010245214_100015361967 [0,1,0,0,0,0|3,0,0]=4 339 B15R2.9941 Nc1ccc2cnccc2c1SCF 62a_100015361967_100010245214 [0,1,0,0,0,0|3,0,0]=4 340 B15R2.9941 Nc1ccc2ncccc2c1SCF 62a_100015361967_200009995563 [0,1,0,0,0,0|3,0,0]=4 341 B15R2.9941 Nc1ccc2ncccc2c1SCF 62a_200009995563_100015361967 [0,1,0,0,0,0|3,0,0]=4 342 B15R2.9941 Nc1cnc2ccccc2c1SCF 62a_100009995561_100015361967 [0,1,0,0,0,0|3,0,0]=4 343 B15R2.9941 Nc1cnc2ccccc2c1SCF 62a_100015361967_100012243074 [0,1,0,0,0,0|3,0,0]=4 344 B15R2.9941 Nc1ncc2ccccc2c1SCF 62a_100009994184_100015361967 [0,1,0,0,0,0|3,0,0]=4 345 B15R2.9941 Nc1ncc2ccccc2c1SCF 62a_100015361967_100009994184 [0,1,0,0,0,0|3,0,0]=4 346 B15R2.9941 Oc1ccc2ccccc2c1NCF 34a_100000007056_100015361967 [0,1,0,0,0,0|1,0,0]=2 347 B15R2.9941 Oc1ccc2ccccc2c1SCF 62a_100015361967_100000183829 [0,1,0,0,0,0|1,0,0]=2 348 B15R2.9941 Oc1ccc2cccnc2c1SCF 62a_100015361967_100010173343 [0,1,0,0,0,0|2,0,0]=3 349 B15R2.9941 Oc1ccc2ccncc2c1SCF 62a_100015361967_200010115057 [0,1,0,0,0,0|2,0,0]=3 350 B15R2.9941 [13CH3]OCc1c(ccc2c1nccc2)Cl 34a_100000698065_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,0,1,0,0,0|1,0,2]=4 352 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,0,1,0,0,0|2,0,1]=4 353 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,0,1,0,0,0|2,0,1]=4 354 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,0,1,0,0,0|1,0,2]=4 355 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,0,1,0,0,0|1,0,2]=4 356 B13R1.485 CCSc1ccccc1/C=C/C=O 62a_100000210202_200016268969 [0,0,1,0,0,0|2,0,1]=4 357 B13R1.485 CCSc1ccccc1/C=C/C=O 62a_200016268969_100000210202 [0,0,1,0,0,0|2,0,1]=4 358 B13R1.485 O=C/C=C/c1ccccc1SCF 62a_100015361967_200016268969 [0,0,1,0,0,0|2,0,1]=4 359 B13R1.485 O=C/C=C/c1ccccc1SCF 62a_200016268969_100015361967 [0,0,1,0,0,0|2,0,1]=4 360 B13R1.532 C=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000185746 [0,0,1,0,0,0|2,0,1]=4 361 B13R1.532 C=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000185746 [0,0,1,0,0,0|2,0,1]=4 362 B13R1.575 C=CCOc1ccc(c(c1)CN)C 34a_200009844824_100015514636 [0,0,1,0,0,0|2,0,1]=4 363 B13R1.575 C=CCSc1ccc(c(c1)CC)O 62a_100000210623_100012338938 [0,0,1,0,0,0|2,0,1]=4 364 B13R1.575 C=CCSc1ccc(c(c1)CN)F 62a_100000210623_100009815772 [0,0,1,0,0,0|2,0,1]=4 365 B13R1.575 C=CCSc1ccc(c(c1)CN)F 62a_100009815772_100000210623 [0,0,1,0,0,0|2,0,1]=4 366 B13R1.575 C=CCSc1ccc(c(c1)CN)N 62a_100000210623_100012349119 [0,0,1,0,0,0|2,0,1]=4 367 B13R1.575 C=CCSc1ccc(c(c1)CN)N 62a_100012349119_100000210623 [0,0,1,0,0,0|2,0,1]=4 368 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000210623_100000730032 [0,0,1,0,0,0|1,0,1]=3 369 B13R1.575 C=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000210623 [0,0,1,0,0,0|1,0,1]=3 370 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000184703_100000210623 [0,0,1,0,0,0|2,0,1]=4 371 B13R1.575 C=CCSc1ccc(c(c1)CO)O 62a_100000210623_100000184703 [0,0,1,0,0,0|2,0,1]=4 372 B13R1.575 NCc1cc(ccc1O)SCC=O 62a_100000730032_200015260668 [0,0,1,0,0,0|2,0,1]=4 373 B13R1.575 NCc1cc(ccc1O)SCC=O 62a_200015260668_100000730032 [0,0,1,0,0,0|2,0,1]=4 374 B13R1.3516 C=CCSc1cccc(c1CN)F 62a_100000210623_100012349121 [0,0,1,0,0,0|2,0,1]=4 375 B13R1.3516 C=CCSc1cccc(c1CN)F 62a_100012349121_100000210623 [0,0,1,0,0,0|2,0,1]=4 376 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,0,1,0,0,0|0,0,2]=4 377 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,0,1,0,0,0|1,0,1]=4 378 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,0,1,0,0,0|1,0,1]=4 379 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,0,1,0,0,0|1,0,1]=4 380 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [1,0,1,0,0,0|1,0,1]=4 381 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [1,0,1,0,0,0|1,0,1]=4 382 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [1,0,1,0,0,0|1,0,1]=4 383 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [1,0,1,0,0,0|0,0,1]=3 384 B12R1.77 C=Cc1ccccc1[C@H](N)CO 271570a_100011290941_100161155918 [1,0,1,0,0,0|0,0,2]=4 385 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [1,0,1,0,0,0|1,0,1]=4 386 B12R1.121 C=CCSc1ccccc1CN 62a_100000210623_100000689332 [1,0,1,0,0,0|1,0,1]=4 387 B12R1.121 C=CCSc1ccccc1CN 62a_100000689332_100000210623 [1,0,1,0,0,0|1,0,1]=4 388 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [1,0,1,0,0,0|1,0,1]=4 389 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [1,0,1,0,0,0|1,0,1]=4 390 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [1,0,1,0,0,0|1,0,1]=4 391 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [1,0,1,0,0,0|1,0,1]=4 392 B12R1.169 C=C=Cc1ccccc1CCN 271570a_100015277604_100000747383 [1,0,1,0,0,0|0,0,2]=4 393 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [1,0,1,0,0,0|0,0,2]=4 394 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [1,0,1,0,0,0|0,0,2]=4 395 B12R1.34 C=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000185746 [1,0,1,0,0,0|1,0,1]=4 396 B12R1.34 C=CC(=O)N(C)c1ccccc1 22a_100000210012_100000185746 [1,0,1,0,0,0|1,0,1]=4 397 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [1,0,1,0,0,0|1,0,1]=4 398 B12R1.286 C=C=Cc1ccc(c(c1)CN)F 271570a_100015277604_100009815772 [1,0,1,0,0,0|1,0,1]=4 399 B12R1.286 C=C=Cc1ccc(c(c1)CN)N 271570a_100015277604_100012349119 [1,0,1,0,0,0|1,0,1]=4 400 B12R1.286 C=C=Cc1ccc(c(c1)CN)O 271570a_100015277604_100000730032 [1,0,1,0,0,0|0,0,1]=3 401 B12R1.286 C=C=Cc1ccc(c(c1)CO)O 271570a_100015277604_100000184703 [1,0,1,0,0,0|1,0,1]=4 402 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [1,0,1,0,0,0|1,0,1]=4 403 B12R1.286 CC=Cc1ccc(c(c1)CN)F 271570a_100016259895_100009815772 [1,0,1,0,0,0|1,0,1]=4 404 B12R1.286 CC=Cc1ccc(c(c1)CN)N 271570a_100016259895_100012349119 [1,0,1,0,0,0|1,0,1]=4 405 B12R1.286 CC=Cc1ccc(c(c1)CN)O 271570a_100016259895_100000730032 [1,0,1,0,0,0|0,0,1]=3 406 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [1,0,1,0,0,0|1,0,1]=4 407 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [1,0,1,0,0,0|1,0,1]=4 408 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000106179_100000210623 [1,0,1,0,0,0|1,0,1]=4 409 B12R1.382 C=CCSc1cccc(c1)CN 62a_100000210623_100000106179 [1,0,1,0,0,0|1,0,1]=4 410 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [1,0,1,0,0,0|1,0,1]=4 411 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [1,0,1,0,0,0|1,0,1]=4 412 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [1,0,1,0,0,0|1,0,1]=4 413 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [1,0,1,0,0,0|1,0,1]=4 414 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [1,0,1,0,0,0|1,0,1]=4 415 B12R1.280 C=C=Cc1cccc(c1C)CN 271570a_100015277604_100000724210 [1,0,1,0,0,0|0,0,2]=4 416 B12R1.280 C=C=Cc1cccc(c1F)CN 271570a_100015277604_100015189953 [1,0,1,0,0,0|1,0,1]=4 417 B12R1.280 CC=Cc1cccc(c1C)CN 271570a_100016259895_100000724210 [1,0,1,0,0,0|0,0,2]=4 418 B12R1.280 CC=Cc1cccc(c1F)CN 271570a_100016259895_100015189953 [1,0,1,0,0,0|1,0,1]=4 419 B12R1.544 C=C=Cc1ccc(c(c1C)C)O 271570a_100015277604_100012353674 [1,0,1,0,0,0|0,0,2]=4 420 B12R1.544 C=C=Cc1ccc(c(c1C)N)O 271570a_100015277604_100013039247 [1,0,1,0,0,0|0,0,2]=4 421 B12R1.544 C=C=Cc1ccc(c(c1F)C)O 271570a_100015277604_100010390934 [1,0,1,0,0,0|1,0,1]=4 422 B12R1.544 CC=Cc1ccc(c(c1C)C)O 271570a_100016259895_100012353674 [1,0,1,0,0,0|0,0,2]=4 423 B12R1.544 CC=Cc1ccc(c(c1C)N)O 271570a_100016259895_100013039247 [1,0,1,0,0,0|0,0,2]=4 424 B12R1.544 CC=Cc1ccc(c(c1F)C)O 271570a_100016259895_100010390934 [1,0,1,0,0,0|1,0,1]=4 425 B12R1.652 C=Cc1c(ccc(c1C)F)C=O 271570a_100011290941_100009872231 [1,0,1,0,0,0|2,0,0]=4 426 B12R1.25 C=CCNc1cccc(c1C)O 34a_100011216573_100015514636 [1,0,1,0,0,0|1,0,1]=4 427 B12R1.25 C=CCNc1cccc(c1C)O 7a_100011216573_100015514636 [1,0,1,0,0,0|1,0,1]=4 428 B12R1.25 C=CCSc1cccc(c1C)O 62a_100000210623_100012002258 [1,0,1,0,0,0|1,0,1]=4 429 B12R1.25 C=CCSc1cccc(c1C)O 62a_100012002258_100000210623 [1,0,1,0,0,0|1,0,1]=4 430 B12R1.25 C=CCSc1cccc(c1N)O 62a_100000210623_100011934926 [1,0,1,0,0,0|1,0,1]=4 431 B12R1.542 C=C=Cc1cccc(c1CN)F 271570a_100015277604_100012349121 [1,0,1,0,0,0|1,0,1]=4 432 B12R1.542 CC=Cc1cccc(c1CN)F 271570a_100016259895_100012349121 [1,0,1,0,0,0|1,0,1]=4 433 B12R1.497 C=C=Cc1c(ccc(c1C)O)C 271570a_100015277604_100010659238 [1,0,1,0,0,0|0,0,2]=4 434 B12R1.497 CC=Cc1c(ccc(c1C)O)C 271570a_100016259895_100010659238 [1,0,1,0,0,0|0,0,2]=4 435 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [2,0,0,0,0,0|1,0,0]=3 436 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [2,0,0,0,0,0|0,0,0]=2 437 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [2,0,0,0,0,0|1,0,0]=3 438 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [2,0,0,0,0,0|1,0,0]=3 439 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [2,0,0,0,0,0|2,0,0]=4 440 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [2,0,0,0,0,0|1,0,0]=3 441 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [2,0,0,0,0,0|2,0,0]=4 442 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [2,0,0,0,0,0|1,0,0]=3 443 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [2,0,0,0,0,0|2,0,0]=4 444 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [2,0,0,0,0,0|2,0,0]=4 445 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [2,0,0,0,0,0|1,0,0]=3 446 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [2,0,0,0,0,0|2,0,0]=4 447 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [2,0,0,0,0,0|2,0,0]=4 448 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [2,0,0,0,0,0|2,0,0]=4 449 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [2,0,0,0,0,0|2,0,0]=4 450 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [2,0,0,0,0,0|1,0,0]=3 451 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [2,0,0,0,0,0|2,0,0]=4 452 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [2,0,0,0,0,0|2,0,0]=4 453 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [2,0,0,0,0,0|2,0,0]=4 454 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [2,0,0,0,0,0|1,0,0]=3 455 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [2,0,0,0,0,0|2,0,0]=4 456 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [2,0,0,0,0,0|2,0,0]=4 457 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [2,0,0,0,0,0|2,0,0]=4 458 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [2,0,0,0,0,0|2,0,0]=4 459 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [2,0,0,0,0,0|2,0,0]=4 460 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [2,0,0,0,0,0|2,0,0]=4 461 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [2,0,0,0,0,0|2,0,0]=4 462 B14R1.482 CC(O)C=Cc1ccccc1CCN 271570a_200011019289_100000747383 [0,1,1,0,0,0|0,0,2]=4 463 B14R1.904 COCC=Cc1ccccc1CCN 271570a_100016286323_100000747383 [0,1,1,0,0,0|0,0,2]=4 464 B14R1.42 C=C(C)CSc1ccc(c(c1)CN)O 62a_100000730032_100000211660 [0,1,1,0,0,0|1,0,1]=4 465 B14R1.42 C=C(C)CSc1ccc(c(c1)CN)O 62a_100000748629_100000730032 [0,1,1,0,0,0|1,0,1]=4 466 B14R1.42 C=C(F)CSc1ccc(c(c1)CN)O 62a_100000042424_100000730032 [0,1,1,0,0,0|1,0,1]=4 467 B14R1.42 C=C(F)CSc1ccc(c(c1)CN)O 62a_100000730032_100000042424 [0,1,1,0,0,0|1,0,1]=4 468 B14R1.42 CC(C)C=Cc1ccc(c(c1)CN)O 271570a_100016257149_100000730032 [0,1,1,0,0,0|0,0,2]=4 469 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O 271570a_200011019289_100000730032 [0,1,1,0,0,0|0,0,2]=4 470 B14R1.791 C=CCSc1ccc(c(c1)CNC)O 62a_100000210623_100011602694 [0,1,1,0,0,0|1,0,1]=4 471 B14R1.791 C=CCSc1ccc(c(c1)CNC)O 62a_100011602694_100000210623 [0,1,1,0,0,0|1,0,1]=4 472 B14R1.793 C=CCSc1ccc(c(c1)CN)OC 62a_100000210623_100000690498 [0,1,1,0,0,0|1,0,1]=4 473 B14R1.793 C=CCSc1ccc(c(c1)CN)OC 62a_100000690498_100000210623 [0,1,1,0,0,0|1,0,1]=4 474 B14R1.907 C/C=C/CSc1ccc(c(c1)CN)O 62a_100000730032_100102629194 [0,1,1,0,0,0|0,0,2]=4 475 B14R1.907 C/C=C/CSc1ccc(c(c1)CN)O 62a_100102629194_100000730032 [0,1,1,0,0,0|0,0,2]=4 476 B14R1.907 C=CCCSc1ccc(c(c1)CN)O 62a_100000730032_100000754431 [0,1,1,0,0,0|0,0,2]=4 477 B14R1.907 C=CCCSc1ccc(c(c1)CN)O 62a_100000754431_100000730032 [0,1,1,0,0,0|0,0,2]=4 478 B14R1.907 CC=CCSc1ccc(c(c1)CN)O 62a_100000070051_100000730032 [0,1,1,0,0,0|0,0,2]=4 479 B14R1.907 CC=CCSc1ccc(c(c1)CN)O 62a_100000730032_100000070051 [0,1,1,0,0,0|0,0,2]=4 480 B14R1.907 CCCC=Cc1ccc(c(c1)CN)O 271570a_100016258520_100000730032 [0,1,1,0,0,0|0,0,2]=4 481 B14R1.907 CCOC=Cc1ccc(c(c1)CN)O 271570a_100016256518_100000730032 [0,1,1,0,0,0|0,0,2]=4 482 B14R1.907 COCC=Cc1ccc(c(c1)CN)O 271570a_100016286323_100000730032 [0,1,1,0,0,0|0,0,2]=4 483 B14R1.3405 C=CC(C)Sc1ccc(c(c1)CN)O 62a_100011215867_100000730032 [0,1,1,0,0,0|1,0,1]=4 484 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [1,1,0,0,0,0|2,0,0]=4 485 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [1,1,0,0,0,0|1,0,0]=3 486 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [1,1,0,0,0,0|2,0,0]=4 487 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [1,1,0,0,0,0|1,0,0]=3 488 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [1,1,0,0,0,0|2,0,0]=4 489 B14R2.92 C=Cc1ccc2cccnc2c1C 271570a_100011290941_100010214467 [1,1,0,0,0,0|2,0,0]=4 490 B14R2.92 C=Cc1ccc2cnccc2c1N 271570a_100011290941_100010191621 [1,1,0,0,0,0|2,0,0]=4 491 B14R2.92 C=Cc1ccc2ncccc2c1C 271570a_100011290941_200010137439 [1,1,0,0,0,0|2,0,0]=4 492 B14R2.92 C=Cc1ccc2ncccc2c1N 271570a_100011290941_200010235790 [1,1,0,0,0,0|2,0,0]=4 493 B14R2.92 C=Cc1cnc2ccccc2c1N 271570a_100011290941_100009995562 [1,1,0,0,0,0|2,0,0]=4 494 B14R2.92 C=Cc1ncc2ccccc2c1N 271570a_100011290941_100000087573 [1,1,0,0,0,0|2,0,0]=4 495 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [1,1,0,0,0,0|2,0,0]=4 496 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [1,1,0,0,0,0|2,0,0]=4 497 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [1,1,0,0,0,0|2,0,0]=4 498 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [1,1,0,0,0,0|1,0,0]=3 499 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [1,1,0,0,0,0|1,0,0]=3 500 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [1,1,0,0,0,0|0,0,0]=2 501 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [1,1,0,0,0,0|0,0,0]=2 502 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [1,1,0,0,0,0|1,0,0]=3 503 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [1,1,0,0,0,0|1,0,0]=3 504 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [1,1,0,0,0,0|1,0,0]=3 505 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [1,1,0,0,0,0|1,0,0]=3 506 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [1,1,0,0,0,0|0,0,0]=2 507 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [1,1,0,0,0,0|0,0,0]=2 508 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [1,1,0,0,0,0|1,0,0]=3 509 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [1,1,0,0,0,0|2,0,0]=4 510 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [1,1,0,0,0,0|2,0,0]=4 511 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [1,1,0,0,0,0|2,0,0]=4 512 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [1,1,0,0,0,0|2,0,0]=4 513 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [1,1,0,0,0,0|2,0,0]=4 514 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [1,1,0,0,0,0|2,0,0]=4 515 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [1,1,0,0,0,0|2,0,0]=4 516 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [1,1,0,0,0,0|1,1,0]=4 517 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [1,1,0,0,0,0|1,1,0]=4 518 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [1,1,0,0,0,0|0,1,0]=3 519 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [1,1,0,0,0,0|0,1,0]=3 520 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [1,1,0,0,0,0|1,1,0]=4 521 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [1,1,0,0,0,0|1,1,0]=4 522 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [1,1,0,0,0,0|0,1,0]=3 523 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [1,1,0,0,0,0|1,1,0]=4 524 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [1,1,0,0,0,0|1,1,0]=4 525 B14R2.92 CSc1ccc2cnccc2c1N 62a_100010191621_200000210301 [1,1,0,0,0,0|1,1,0]=4 526 B14R2.92 CSc1ccc2cnccc2c1N 62a_200000210301_100010191621 [1,1,0,0,0,0|1,1,0]=4 527 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [1,1,0,0,0,0|1,1,0]=4 528 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [1,1,0,0,0,0|1,1,0]=4 529 B14R2.92 CSc1ccc2ncccc2c1N 62a_200010235790_200000210301 [1,1,0,0,0,0|1,1,0]=4 530 B14R2.92 CSc1cnc2ccccc2c1N 62a_100009995562_200000210301 [1,1,0,0,0,0|1,1,0]=4 531 B14R2.92 CSc1cnc2ccccc2c1N 62a_200000210301_100009995562 [1,1,0,0,0,0|1,1,0]=4 532 B14R2.92 CSc1ncc2ccccc2c1N 62a_100009995564_200000210301 [1,1,0,0,0,0|1,1,0]=4 533 B14R2.92 CSc1ncc2ccccc2c1N 62a_200000210301_100000087573 [1,1,0,0,0,0|1,1,0]=4 534 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [1,1,0,0,0,0|0,0,0]=2 535 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [1,1,0,0,0,0|0,0,0]=2 536 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [1,1,0,0,0,0|0,1,0]=3 537 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [1,1,0,0,0,0|0,1,0]=3 538 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [1,1,0,0,0,0|1,1,0]=4 539 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [1,1,0,0,0,0|1,1,0]=4 540 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [1,1,0,0,0,0|1,1,0]=4 541 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [1,1,0,0,0,0|1,0,1]=4 542 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [1,1,0,0,0,0|2,0,0]=4 543 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [1,1,0,0,0,0|2,0,0]=4 544 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [1,1,0,0,0,0|1,0,0]=3 546 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [1,1,0,0,0,0|1,0,0]=3 547 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [1,1,0,0,0,0|1,0,0]=3 548 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [1,1,0,0,0,0|1,0,0]=3 549 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [1,1,0,0,0,0|1,0,0]=3 550 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [1,1,0,0,0,0|1,0,0]=3 551 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [1,1,0,0,0,0|0,0,0]=2 552 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [1,1,0,0,0,0|0,0,0]=2 553 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [1,1,0,0,0,0|2,0,0]=4 554 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [1,1,0,0,0,0|2,0,0]=4 555 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [1,1,0,0,0,0|2,0,0]=4 556 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [1,1,0,0,0,0|2,0,0]=4 557 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [1,1,0,0,0,0|2,0,0]=4 559 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [1,1,0,0,0,0|1,1,0]=4 560 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [1,1,0,0,0,0|1,1,0]=4 561 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [1,1,0,0,0,0|1,1,0]=4 562 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [1,1,0,0,0,0|1,1,0]=4 563 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [1,1,0,0,0,0|0,1,0]=3 564 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [1,1,0,0,0,0|1,1,0]=4 565 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_100010191621_200025704644 [1,1,0,0,0,0|1,1,0]=4 566 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_200025704644_100010191621 [1,1,0,0,0,0|1,1,0]=4 567 B14R2.92 [13CH3]Sc1ccc2ncccc2c1N 62a_200010235790_200025704644 [1,1,0,0,0,0|1,1,0]=4 568 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_100009995562_200025704644 [1,1,0,0,0,0|1,1,0]=4 569 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_200025704644_100009995562 [1,1,0,0,0,0|1,1,0]=4 570 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_100009995564_200025704644 [1,1,0,0,0,0|1,1,0]=4 571 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_200025704644_100000087573 [1,1,0,0,0,0|1,1,0]=4 572 B14R2.4513 Cc1ccc2occ(c(=O)c2c1)O 271570a_203496583355_200010005421 [1,1,0,0,0,0|2,0,0]=4 573 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [1,1,0,0,0,0|1,0,1]=4 574 B14R2.4513 O=c1c(c[nH]c2c1cc(cc2)Br)O 271570a_203496583355_100012348040 [1,1,0,0,0,0|2,0,0]=4 575 B14R2.4513 O=c1c(coc2c1cc(cc2)Cl)O 271570a_203496583355_200010204847 [1,1,0,0,0,0|2,0,0]=4 576 B14R2.4513 O=c1c(coc2c1cc(cc2)F)O 271570a_203496583355_200009813772 [1,1,0,0,0,0|2,0,0]=4 577 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [1,1,0,0,0,0|1,0,1]=4 578 B14R2.7724 Oc1cc(c2cccnc2c1O)Cl 271570a_203496583355_100000211503 [1,1,0,0,0,0|2,0,0]=4 579 B14R2.7724 Oc1cc(c2ncccc2c1F)F 271570a_203496583355_200009817093 [1,1,0,0,0,0|2,0,0]=4 580 B14R2.8038 Cc1c(ccc2c1nccc2O)F 271570a_203496583355_100011516163 [1,1,0,0,0,0|2,0,0]=4 581 B14R2.8038 Cc1ccc2c(ccnc2c1C)O 271570a_203496583355_100011310510 [1,1,0,0,0,0|2,0,0]=4 582 B14R2.8038 O=c1c(c[nH]c2c1cccc2F)O 271570a_203496583355_100012351745 [1,1,0,0,0,0|2,0,0]=4 583 B14R2.8038 O=c1cc[nH]c2c1ccc(c2F)O 271570a_203496583355_100022010583 [1,1,0,0,0,0|2,0,0]=4 584 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [1,1,0,0,0,0|1,0,0]=3 585 B14R2.8188 Oc1c(cc2ncccc2c1F)F 271570a_203496583355_100010163946 [1,1,0,0,0,0|2,0,0]=4 586 B14R2.28523 Cc1c(ccc2c1c(=O)[nH]cn2)O 271570a_203496583355_206256548267 [1,1,0,0,0,0|2,0,0]=4 587 B14R2.29369 Cc1ccc2c(c(ccc2n1)O)O 271570a_203496583355_100010269489 [1,1,0,0,0,0|2,0,0]=4 588 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [1,1,0,0,0,0|1,0,1]=4 589 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [1,1,0,0,0,0|1,0,0]=3 590 B14R2.1073 CNc1cccc2c1ccc(c2)Br 34a_100010090037_200000210301 [1,1,0,0,0,0|2,0,0]=4 591 B14R2.1073 CNc1cccc2c1ccc(c2)O 34a_100000034668_200000210301 [1,1,0,0,0,0|2,0,0]=4 592 B14R2.1073 COc1cccc2c1ccc(c2)Br 34a_100010202202_200000210301 [1,1,0,0,0,0|2,0,0]=4 593 B14R2.1073 COc1cccc2c1ccc(c2)Br 7a_100010202202_200000210301 [1,1,0,0,0,0|2,0,0]=4 594 B14R2.1073 COc1cccc2c1ccc(c2)F 34a_100009846233_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B14R2.1073 COc1cccc2c1ccc(c2)F 7a_100009846233_200000210301 [1,1,0,0,0,0|2,0,0]=4 596 B14R2.1073 COc1cccc2c1ccc(c2)N 34a_100000035793_200000210301 [1,1,0,0,0,0|2,0,0]=4 597 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)Br 34a_100010090037_200025704644 [1,1,0,0,0,0|2,0,0]=4 598 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)O 34a_100000034668_200025704644 [1,1,0,0,0,0|2,0,0]=4 599 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 34a_100010202202_200025704644 [1,1,0,0,0,0|2,0,0]=4 600 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 7a_100010202202_200025704644 [1,1,0,0,0,0|2,0,0]=4 601 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 34a_100009846233_200025704644 [1,1,0,0,0,0|2,0,0]=4 602 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 7a_100009846233_200025704644 [1,1,0,0,0,0|2,0,0]=4 603 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)N 34a_100000035793_200025704644 [1,1,0,0,0,0|2,0,0]=4 604 B14R2.1078 C=Cc1cccc2c1cccc2F 271570a_100011290941_100009817034 [1,1,0,0,0,0|1,0,1]=4 605 B14R2.1078 C=Cc1cccc2c1cccc2N 271570a_100011290941_100009816864 [1,1,0,0,0,0|1,0,1]=4 606 B14R2.1078 C=Cc1cccc2c1cccc2O 271570a_100011290941_100010003857 [1,1,0,0,0,0|1,0,1]=4 607 B14R2.1078 CNc1cccc2c1cccc2Br 34a_100009816864_200000210301 [1,1,0,0,0,0|2,0,0]=4 608 B14R2.1078 CNc1cccc2c1cccc2Cl 34a_100000077128_200000210301 [1,1,0,0,0,0|2,0,0]=4 609 B14R2.1078 CNc1cccc2c1cccc2O 34a_100000210686_200000210301 [1,1,0,0,0,0|2,0,0]=4 610 B14R2.1078 COc1cccc2c1cccc2Br 34a_100010003857_200000210301 [1,1,0,0,0,0|2,0,0]=4 611 B14R2.1078 COc1cccc2c1cccc2Br 7a_100010003857_200000210301 [1,1,0,0,0,0|2,0,0]=4 612 B14R2.1078 COc1cccc2c1cccc2N 34a_100000210686_200000210301 [1,1,0,0,0,0|2,0,0]=4 613 B14R2.1078 CSc1cccc2c1cccc2F 62a_100009817034_200000210301 [1,1,0,0,0,0|2,0,0]=4 614 B14R2.1078 CSc1cccc2c1cccc2F 62a_200000210301_100009817034 [1,1,0,0,0,0|2,0,0]=4 615 B14R2.1078 CSc1cccc2c1cccc2N 62a_100009816864_200000210301 [1,1,0,0,0,0|2,0,0]=4 616 B14R2.1078 CSc1cccc2c1cccc2O 62a_200000210301_100010003857 [1,1,0,0,0,0|2,0,0]=4 617 B14R2.1078 [13CH3]Nc1cccc2c1cccc2Br 34a_100009816864_200025704644 [1,1,0,0,0,0|2,0,0]=4 618 B14R2.1078 [13CH3]Nc1cccc2c1cccc2Cl 34a_100000077128_200025704644 [1,1,0,0,0,0|2,0,0]=4 619 B14R2.1078 [13CH3]Nc1cccc2c1cccc2O 34a_100000210686_200025704644 [1,1,0,0,0,0|2,0,0]=4 620 B14R2.1078 [13CH3]Oc1cccc2c1cccc2Br 34a_100010003857_200025704644 [1,1,0,0,0,0|2,0,0]=4 621 B14R2.1078 [13CH3]Oc1cccc2c1cccc2Br 7a_100010003857_200025704644 [1,1,0,0,0,0|2,0,0]=4 622 B14R2.1078 [13CH3]Oc1cccc2c1cccc2N 34a_100000210686_200025704644 [1,1,0,0,0,0|2,0,0]=4 623 B14R2.1078 [13CH3]Sc1cccc2c1cccc2F 62a_100009817034_200025704644 [1,1,0,0,0,0|2,0,0]=4 624 B14R2.1078 [13CH3]Sc1cccc2c1cccc2F 62a_200025704644_100009817034 [1,1,0,0,0,0|2,0,0]=4 625 B14R2.1078 [13CH3]Sc1cccc2c1cccc2N 62a_100009816864_200025704644 [1,1,0,0,0,0|2,0,0]=4 626 B14R2.1078 [13CH3]Sc1cccc2c1cccc2O 62a_200025704644_100010003857 [1,1,0,0,0,0|2,0,0]=4 627 B14R2.1131 C=Cc1ccc(c2c1cccc2)Br 271570a_100011290941_100012339872 [1,1,0,0,0,0|1,0,1]=4 628 B14R2.1131 C=Cc1ccc(c2c1cccc2)C 271570a_100011290941_100011215156 [1,1,0,0,0,0|1,0,1]=4 629 B14R2.1131 C=Cc1ccc(c2c1cccc2)F 271570a_100011290941_100011218216 [1,1,0,0,0,0|1,0,1]=4 630 B14R2.1131 C=Cc1ccc(c2c1cccc2)N 271570a_100011290941_100000766797 [1,1,0,0,0,0|1,0,1]=4 631 B14R2.1131 C=Cc1ccc(c2c1cccc2)O 271570a_100011290941_100000186334 [1,1,0,0,0,0|1,0,1]=4 632 B14R2.1131 CNc1ccc(c2c1cccc2)Br 34a_100000766797_200000210301 [1,1,0,0,0,0|2,0,0]=4 633 B14R2.1131 CNc1ccc(c2c1cccc2)Cl 34a_100011216319_200000210301 [1,1,0,0,0,0|2,0,0]=4 634 B14R2.1131 CNc1ccc(c2c1cccc2)F 34a_100011988692_200000210301 [1,1,0,0,0,0|2,0,0]=4 635 B14R2.1131 CNc1ccc(c2c1cccc2)O 34a_100000705857_200000210301 [1,1,0,0,0,0|2,0,0]=4 636 B14R2.1131 COc1ccc(c2c1cccc2)Br 34a_100000186334_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B14R2.1131 COc1ccc(c2c1cccc2)Br 7a_100000186334_200000210301 [1,1,0,0,0,0|2,0,0]=4 638 B14R2.1131 COc1ccc(c2c1cccc2)C 34a_100000074455_200000210301 [1,1,0,0,0,0|2,0,0]=4 639 B14R2.1131 COc1ccc(c2c1cccc2)C 7a_100000074455_200000210301 [1,1,0,0,0,0|2,0,0]=4 640 B14R2.1131 COc1ccc(c2c1cccc2)Cl 34a_100000211000_200000210301 [1,1,0,0,0,0|2,0,0]=4 641 B14R2.1131 COc1ccc(c2c1cccc2)Cl 7a_100000211000_200000210301 [1,1,0,0,0,0|2,0,0]=4 642 B14R2.1131 COc1ccc(c2c1cccc2)F 34a_100000100223_200000210301 [1,1,0,0,0,0|2,0,0]=4 643 B14R2.1131 COc1ccc(c2c1cccc2)F 7a_100000100223_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B14R2.1131 COc1ccc(c2c1cccc2)N 34a_100000705857_200000210301 [1,1,0,0,0,0|2,0,0]=4 645 B14R2.1131 COc1ccc(c2c1cccc2)N 7a_100000705857_200000210301 [1,1,0,0,0,0|2,0,0]=4 646 B14R2.1131 COc1ccc(c2c1cccc2)O 271570a_203496583355_100011256618 [1,1,0,0,0,0|2,0,0]=4 647 B14R2.1131 CSc1ccc(c2c1cccc2)Br 62a_100012339872_200000210301 [1,1,0,0,0,0|2,0,0]=4 648 B14R2.1131 CSc1ccc(c2c1cccc2)Br 62a_200000210301_100012339872 [1,1,0,0,0,0|2,0,0]=4 649 B14R2.1131 CSc1ccc(c2c1cccc2)C 62a_100011215156_200000210301 [1,1,0,0,0,0|2,0,0]=4 650 B14R2.1131 CSc1ccc(c2c1cccc2)C 62a_200000210301_100011215156 [1,1,0,0,0,0|2,0,0]=4 651 B14R2.1131 CSc1ccc(c2c1cccc2)F 62a_100011218216_200000210301 [1,1,0,0,0,0|2,0,0]=4 652 B14R2.1131 CSc1ccc(c2c1cccc2)F 62a_200000210301_100011218216 [1,1,0,0,0,0|2,0,0]=4 653 B14R2.1131 CSc1ccc(c2c1cccc2)N 62a_100000766797_200000210301 [1,1,0,0,0,0|2,0,0]=4 654 B14R2.1131 CSc1ccc(c2c1cccc2)O 62a_200000210301_100000186334 [1,1,0,0,0,0|2,0,0]=4 655 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 34a_100000074455_200025704644 [1,1,0,0,0,0|2,0,0]=4 656 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 7a_100000074455_200025704644 [1,1,0,0,0,0|2,0,0]=4 657 B14R2.1131 Cc1ccc(c2c1cccc2)S[13CH3] 62a_100011215156_200025704644 [1,1,0,0,0,0|2,0,0]=4 658 B14R2.1131 Cc1ccc(c2c1cccc2)S[13CH3] 62a_200025704644_100011215156 [1,1,0,0,0,0|2,0,0]=4 659 B14R2.1131 N#Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012344970 [1,1,0,0,0,0|0,0,2]=4 660 B14R2.1131 NCc1ccc(c2c1cccc2)O 271570a_203496583355_100016995114 [1,1,0,0,0,0|0,0,0]=2 661 B14R2.1131 O=Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012359940 [1,1,0,0,0,0|1,0,1]=4 662 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Br 34a_100000766797_200025704644 [1,1,0,0,0,0|2,0,0]=4 663 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Cl 34a_100011216319_200025704644 [1,1,0,0,0,0|2,0,0]=4 664 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)F 34a_100011988692_200025704644 [1,1,0,0,0,0|2,0,0]=4 665 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)O 34a_100000705857_200025704644 [1,1,0,0,0,0|2,0,0]=4 666 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Br 34a_100000186334_200025704644 [1,1,0,0,0,0|2,0,0]=4 667 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Br 7a_100000186334_200025704644 [1,1,0,0,0,0|2,0,0]=4 668 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 34a_100000211000_200025704644 [1,1,0,0,0,0|2,0,0]=4 669 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 7a_100000211000_200025704644 [1,1,0,0,0,0|2,0,0]=4 670 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)F 34a_100000100223_200025704644 [1,1,0,0,0,0|2,0,0]=4 671 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)F 7a_100000100223_200025704644 [1,1,0,0,0,0|2,0,0]=4 672 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)N 34a_100000705857_200025704644 [1,1,0,0,0,0|2,0,0]=4 673 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)N 7a_100000705857_200025704644 [1,1,0,0,0,0|2,0,0]=4 674 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)Br 62a_100012339872_200025704644 [1,1,0,0,0,0|2,0,0]=4 675 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)Br 62a_200025704644_100012339872 [1,1,0,0,0,0|2,0,0]=4 676 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)F 62a_100011218216_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)F 62a_200025704644_100011218216 [1,1,0,0,0,0|2,0,0]=4 678 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)N 62a_100000766797_200025704644 [1,1,0,0,0,0|2,0,0]=4 679 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)O 62a_200025704644_100000186334 [1,1,0,0,0,0|2,0,0]=4 680 B14R2.1146 C=Cc1cc(cc2c1cccc2)N 271570a_100011290941_100010089974 [1,1,0,0,0,0|1,0,1]=4 681 B14R2.1146 C=Cc1cc(cc2c1cccc2)O 271570a_100011290941_100010001680 [1,1,0,0,0,0|1,0,1]=4 682 B14R2.1146 CNc1cc(cc2c1cccc2)Br 34a_100010171453_200000210301 [1,1,0,0,0,0|2,0,0]=4 683 B14R2.1146 COc1cc(cc2c1cccc2)Br 34a_100010089979_200000210301 [1,1,0,0,0,0|2,0,0]=4 684 B14R2.1146 COc1cc(cc2c1cccc2)Br 7a_100010089979_200000210301 [1,1,0,0,0,0|2,0,0]=4 685 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_100010089974_200000210301 [1,1,0,0,0,0|2,0,0]=4 686 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_200000210301_100010089974 [1,1,0,0,0,0|2,0,0]=4 687 B14R2.1146 CSc1cc(cc2c1cccc2)O 62a_200000210301_100010001680 [1,1,0,0,0,0|2,0,0]=4 688 B14R2.1146 [13CH3]Nc1cc(cc2c1cccc2)Br 34a_100010171453_200025704644 [1,1,0,0,0,0|2,0,0]=4 689 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 34a_100010089979_200025704644 [1,1,0,0,0,0|2,0,0]=4 690 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 7a_100010089979_200025704644 [1,1,0,0,0,0|2,0,0]=4 691 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_100010089974_200025704644 [1,1,0,0,0,0|2,0,0]=4 692 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_200025704644_100010089974 [1,1,0,0,0,0|2,0,0]=4 693 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)O 62a_200025704644_100010001680 [1,1,0,0,0,0|2,0,0]=4 694 B14R2.7150 C=C=Cc1cccc2c1cccc2 271570a_100015277604_100000210605 [1,1,0,0,0,0|1,0,1]=4 695 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [1,1,0,0,0,0|1,0,1]=4 696 B14R2.7150 CCNc1cccc2c1cccc2 34a_100000185869_100000210202 [1,1,0,0,0,0|1,0,0]=3 697 B14R2.7150 CCNc1cccc2c1cccn2 27a_100015525214_100011290932 [1,1,0,0,0,0|2,0,0]=4 698 B14R2.7150 CCNc1cccc2c1cccn2 34a_100000183906_100000210202 [1,1,0,0,0,0|2,0,0]=4 699 B14R2.7150 CCNc1cccc2c1nccc2 34a_100000181377_100000210202 [1,1,0,0,0,0|2,0,0]=4 700 B14R2.7150 CCNc1ccnc2c1cccc2 27a_100015525214_100011215880 [1,1,0,0,0,0|2,0,0]=4 701 B14R2.7150 CCNc1nccc2c1cccc2 27a_100015525214_100011934041 [1,1,0,0,0,0|2,0,0]=4 702 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [1,1,0,0,0,0|1,0,0]=3 703 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [1,1,0,0,0,0|1,0,0]=3 704 B14R2.7150 CCOc1cccc2c1cccn2 34a_100011197808_100000210202 [1,1,0,0,0,0|2,0,0]=4 705 B14R2.7150 CCOc1cccc2c1ccnc2 34a_100011218533_100000210202 [1,1,0,0,0,0|2,0,0]=4 706 B14R2.7150 CCOc1cccc2c1cncc2 34a_103624766955_100000210202 [1,1,0,0,0,0|2,0,0]=4 707 B14R2.7150 CCOc1cccc2c1nccc2 34a_100000056035_100000210202 [1,1,0,0,0,0|2,0,0]=4 708 B14R2.7150 CCOc1cncc2c1cccc2 34a_100000066178_100000210202 [1,1,0,0,0,0|2,0,0]=4 709 B14R2.7150 CCOc1cncc2c1cccc2 7a_100000066178_100000210202 [1,1,0,0,0,0|2,0,0]=4 710 B14R2.7150 CCOc1nccc2c1cccc2 34a_102531767632_100000210202 [1,1,0,0,0,0|2,0,0]=4 711 B14R2.7150 CCSc1cccc2c1cccc2 62a_100000210202_100000210605 [1,1,0,0,0,0|1,0,0]=3 712 B14R2.7150 CCSc1cccc2c1cccn2 62a_100000210202_100011290932 [1,1,0,0,0,0|2,0,0]=4 713 B14R2.7150 CCSc1cccc2c1cccn2 62a_100011290932_100000210202 [1,1,0,0,0,0|2,0,0]=4 714 B14R2.7150 CCSc1cccc2c1ccnc2 62a_100000186358_100000210202 [1,1,0,0,0,0|2,0,0]=4 715 B14R2.7150 CCSc1cccc2c1ccnc2 62a_100000210202_100000186358 [1,1,0,0,0,0|2,0,0]=4 716 B14R2.7150 CCSc1cccc2c1cncc2 62a_100000210202_100000685578 [1,1,0,0,0,0|2,0,0]=4 717 B14R2.7150 CCSc1cccc2c1cncc2 62a_100000685578_100000210202 [1,1,0,0,0,0|2,0,0]=4 718 B14R2.7150 CCSc1cccc2c1nccc2 62a_100000210202_100011215545 [1,1,0,0,0,0|2,0,0]=4 719 B14R2.7150 CCSc1ccnc2c1cccc2 62a_100000210202_100011215880 [1,1,0,0,0,0|2,0,0]=4 720 B14R2.7150 CCSc1ccnc2c1cccc2 62a_100011458314_100000210202 [1,1,0,0,0,0|2,0,0]=4 721 B14R2.7150 CCSc1cncc2c1cccc2 62a_100000187577_100000210202 [1,1,0,0,0,0|2,0,0]=4 722 B14R2.7150 CCSc1cncc2c1cccc2 62a_100000210202_100000187577 [1,1,0,0,0,0|2,0,0]=4 723 B14R2.7150 CCSc1nccc2c1cccc2 62a_100000210202_100011934041 [1,1,0,0,0,0|2,0,0]=4 724 B14R2.7150 CCSc1nccc2c1cccc2 62a_100011934041_100000210202 [1,1,0,0,0,0|2,0,0]=4 725 B14R2.7150 CNCc1cccc2c1CC=CC2 26a_100102657272_100000074931 [1,1,0,0,0,0|0,0,2]=4 726 B14R2.7150 CNCc1cccc2c1cccc2 207a_100102657272_100000210074 [1,1,0,0,0,0|0,0,0]=2 727 B14R2.7150 CNCc1cccc2c1cccc2 2230a_106832991635_100011261445 [1,1,0,0,0,0|0,0,0]=2 728 B14R2.7150 CNCc1cccc2c1cccc2 270004a_106832991635_100000210074 [1,1,0,0,0,0|0,0,0]=2 729 B14R2.7150 CNCc1cccc2c1cccc2 34a_100000753325_200000210301 [1,1,0,0,0,0|0,0,0]=2 730 B14R2.7150 CNCc1cccc2c1cccc2 34a_100102657272_100011261445 [1,1,0,0,0,0|0,0,0]=2 731 B14R2.7150 CNCc1cccc2c1cccc2 7a_106832991635_100011261445 [1,1,0,0,0,0|0,0,0]=2 732 B14R2.7150 CNCc1cccc2c1cccn2 207a_100102657272_100000708479 [1,1,0,0,0,0|1,0,0]=3 733 B14R2.7150 CNCc1cccc2c1cccn2 270004a_106832991635_100000708479 [1,1,0,0,0,0|1,0,0]=3 734 B14R2.7150 CNCc1cccc2c1ccnc2 207a_100102657272_100000750165 [1,1,0,0,0,0|1,0,0]=3 735 B14R2.7150 CNCc1cccc2c1ccnc2 2230a_106832991635_100016989825 [1,1,0,0,0,0|1,0,0]=3 736 B14R2.7150 CNCc1cccc2c1ccnc2 270004a_106832991635_100000750165 [1,1,0,0,0,0|1,0,0]=3 737 B14R2.7150 CNCc1cccc2c1ccnc2 34a_100102657272_100016989825 [1,1,0,0,0,0|1,0,0]=3 738 B14R2.7150 CNCc1cccc2c1ccnc2 7a_106832991635_100016989825 [1,1,0,0,0,0|1,0,0]=3 739 B14R2.7150 CNCc1cccc2c1cncc2 207a_100102657272_100011934574 [1,1,0,0,0,0|1,0,0]=3 740 B14R2.7150 CNCc1cccc2c1cncc2 270004a_106832991635_100011934574 [1,1,0,0,0,0|1,0,0]=3 741 B14R2.7150 CNCc1cccc2c1nccc2 207a_100102657272_100000239888 [1,1,0,0,0,0|1,0,0]=3 742 B14R2.7150 CNCc1cccc2c1nccc2 2230a_106832991635_100000241032 [1,1,0,0,0,0|1,0,0]=3 743 B14R2.7150 CNCc1cccc2c1nccc2 270004a_106832991635_100000239888 [1,1,0,0,0,0|1,0,0]=3 744 B14R2.7150 CNCc1cccc2c1nccc2 34a_100102657272_100000241032 [1,1,0,0,0,0|1,0,0]=3 745 B14R2.7150 CNCc1cccc2c1nccc2 7a_106832991635_100000241032 [1,1,0,0,0,0|1,0,0]=3 746 B14R2.7150 CNCc1cccc2c1nccn2 270004a_106832991635_100011996249 [1,1,0,0,0,0|2,0,0]=4 747 B14R2.7150 CNCc1ccnc2c1cccc2 2230a_106832991635_100015192512 [1,1,0,0,0,0|1,0,0]=3 748 B14R2.7150 CNCc1ccnc2c1cccc2 34a_100102657272_100015192512 [1,1,0,0,0,0|1,0,0]=3 749 B14R2.7150 CNCc1ccnc2c1cccc2 7a_106832991635_100015192512 [1,1,0,0,0,0|1,0,0]=3 750 B14R2.7150 CNCc1cncc2c1cccc2 207a_100102657272_100000684730 [1,1,0,0,0,0|1,0,0]=3 751 B14R2.7150 CNCc1cncc2c1cccc2 270004a_106832991635_100000684730 [1,1,0,0,0,0|1,0,0]=3 752 B14R2.7150 CNCc1nccc2c1cccc2 207a_100102657272_100011361464 [1,1,0,0,0,0|1,0,0]=3 753 B14R2.7150 CNCc1nccc2c1cccc2 2230a_106832991635_100000033776 [1,1,0,0,0,0|1,0,0]=3 754 B14R2.7150 CNCc1nccc2c1cccc2 270004a_106832991635_100011361464 [1,1,0,0,0,0|1,0,0]=3 755 B14R2.7150 CNCc1nccc2c1cccc2 34a_100102657272_100000033776 [1,1,0,0,0,0|1,0,0]=3 756 B14R2.7150 CNCc1nccc2c1cccc2 7a_106832991635_100000033776 [1,1,0,0,0,0|1,0,0]=3 757 B14R2.7150 COCc1cccc2c1cccc2 34a_100011216843_200000210301 [1,1,0,0,0,0|1,0,0]=3 758 B14R2.7150 COCc1cccc2c1cccc2 34a_100138415774_100011261445 [1,1,0,0,0,0|1,0,0]=3 759 B14R2.7150 COCc1cccc2c1cccc2 7a_100011216843_200000210301 [1,1,0,0,0,0|1,0,0]=3 760 B14R2.7150 COCc1cccc2c1cccn2 34a_100000709871_200000210301 [1,1,0,0,0,0|2,0,0]=4 761 B14R2.7150 COCc1cccc2c1ccnc2 34a_100138415774_100016989825 [1,1,0,0,0,0|2,0,0]=4 762 B14R2.7150 COCc1cccc2c1nccc2 34a_100011303629_200000210301 [1,1,0,0,0,0|2,0,0]=4 763 B14R2.7150 COCc1cccc2c1nccc2 34a_100138415774_100000241032 [1,1,0,0,0,0|2,0,0]=4 764 B14R2.7150 COCc1ccnc2c1cccc2 34a_100138415774_100015192512 [1,1,0,0,0,0|2,0,0]=4 765 B14R2.7150 COCc1nccc2c1cccc2 34a_100138415774_100000033776 [1,1,0,0,0,0|2,0,0]=4 766 B14R2.7150 CSCc1cccc2c1cccc2 62a_100011261445_200000210301 [1,1,0,0,0,0|1,0,0]=3 767 B14R2.7150 CSCc1cccc2c1cccc2 62a_200000210301_100000188474 [1,1,0,0,0,0|1,0,0]=3 768 B14R2.7150 CSCc1cccc2c1ccnc2 62a_100016989825_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B14R2.7150 CSCc1cccc2c1ccnc2 62a_200000210301_100016989825 [1,1,0,0,0,0|2,0,0]=4 770 B14R2.7150 CSCc1cccc2c1nccc2 62a_200000210301_100000241032 [1,1,0,0,0,0|2,0,0]=4 771 B14R2.7150 CSCc1ccnc2c1cccc2 62a_100015192512_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B14R2.7150 CSCc1ccnc2c1cccc2 62a_200000210301_100015192512 [1,1,0,0,0,0|2,0,0]=4 773 B14R2.7150 CSCc1nccc2c1cccc2 62a_100000033776_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B14R2.7150 CSCc1nccc2c1cccc2 62a_200000210301_100000033776 [1,1,0,0,0,0|2,0,0]=4 775 B14R2.7150 FCNc1cccc2c1cccc2 34a_100000185869_100015361967 [1,1,0,0,0,0|1,0,0]=3 776 B14R2.7150 FCNc1cccc2c1cccn2 34a_100000183906_100015361967 [1,1,0,0,0,0|2,0,0]=4 777 B14R2.7150 FCNc1cccc2c1nccc2 34a_100000181377_100015361967 [1,1,0,0,0,0|2,0,0]=4 778 B14R2.7150 FCOc1cccc2c1cccc2 34a_100000210388_100015361967 [1,1,0,0,0,0|1,0,0]=3 779 B14R2.7150 FCOc1cccc2c1cccc2 7a_100000210388_100015361967 [1,1,0,0,0,0|1,0,0]=3 780 B14R2.7150 FCOc1cccc2c1cccn2 34a_100011197808_100015361967 [1,1,0,0,0,0|2,0,0]=4 781 B14R2.7150 FCOc1cccc2c1ccnc2 34a_100011218533_100015361967 [1,1,0,0,0,0|2,0,0]=4 782 B14R2.7150 FCOc1cccc2c1cncc2 34a_103624766955_100015361967 [1,1,0,0,0,0|2,0,0]=4 783 B14R2.7150 FCOc1cccc2c1nccc2 34a_100000056035_100015361967 [1,1,0,0,0,0|2,0,0]=4 784 B14R2.7150 FCOc1cncc2c1cccc2 34a_100000066178_100015361967 [1,1,0,0,0,0|2,0,0]=4 785 B14R2.7150 FCOc1cncc2c1cccc2 7a_100000066178_100015361967 [1,1,0,0,0,0|2,0,0]=4 786 B14R2.7150 FCOc1nccc2c1cccc2 34a_102531767632_100015361967 [1,1,0,0,0,0|2,0,0]=4 787 B14R2.7150 FCSc1cccc2c1cccc2 62a_100015361967_100000210605 [1,1,0,0,0,0|1,0,0]=3 788 B14R2.7150 FCSc1cccc2c1cccn2 62a_100011290932_100015361967 [1,1,0,0,0,0|2,0,0]=4 789 B14R2.7150 FCSc1cccc2c1cccn2 62a_100015361967_100011290932 [1,1,0,0,0,0|2,0,0]=4 790 B14R2.7150 FCSc1cccc2c1ccnc2 62a_100000186358_100015361967 [1,1,0,0,0,0|2,0,0]=4 791 B14R2.7150 FCSc1cccc2c1ccnc2 62a_100015361967_100000186358 [1,1,0,0,0,0|2,0,0]=4 792 B14R2.7150 FCSc1cccc2c1cncc2 62a_100000685578_100015361967 [1,1,0,0,0,0|2,0,0]=4 793 B14R2.7150 FCSc1cccc2c1cncc2 62a_100015361967_100000685578 [1,1,0,0,0,0|2,0,0]=4 794 B14R2.7150 FCSc1cccc2c1nccc2 62a_100015361967_100011215545 [1,1,0,0,0,0|2,0,0]=4 795 B14R2.7150 FCSc1ccnc2c1cccc2 62a_100011458314_100015361967 [1,1,0,0,0,0|2,0,0]=4 796 B14R2.7150 FCSc1ccnc2c1cccc2 62a_100015361967_100011215880 [1,1,0,0,0,0|2,0,0]=4 797 B14R2.7150 FCSc1cncc2c1cccc2 62a_100000187577_100015361967 [1,1,0,0,0,0|2,0,0]=4 798 B14R2.7150 FCSc1cncc2c1cccc2 62a_100015361967_100000187577 [1,1,0,0,0,0|2,0,0]=4 799 B14R2.7150 FCSc1nccc2c1cccc2 62a_100011934041_100015361967 [1,1,0,0,0,0|2,0,0]=4 800 B14R2.7150 FCSc1nccc2c1cccc2 62a_100015361967_100011934041 [1,1,0,0,0,0|2,0,0]=4 801 B14R2.7150 [13CH3]NCc1cccc2c1cccc2 34a_100000753325_200025704644 [1,1,0,0,0,0|0,0,0]=2 802 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 34a_100011216843_200025704644 [1,1,0,0,0,0|1,0,0]=3 803 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 7a_100011216843_200025704644 [1,1,0,0,0,0|1,0,0]=3 804 B14R2.7150 [13CH3]OCc1cccc2c1cccn2 34a_100000709871_200025704644 [1,1,0,0,0,0|2,0,0]=4 805 B14R2.7150 [13CH3]OCc1cccc2c1nccc2 34a_100011303629_200025704644 [1,1,0,0,0,0|2,0,0]=4 806 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_100011261445_200025704644 [1,1,0,0,0,0|1,0,0]=3 807 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_200025704644_100000188474 [1,1,0,0,0,0|1,0,0]=3 808 B14R2.7150 [13CH3]SCc1cccc2c1ccnc2 62a_100016989825_200025704644 [1,1,0,0,0,0|2,0,0]=4 809 B14R2.7150 [13CH3]SCc1cccc2c1ccnc2 62a_200025704644_100016989825 [1,1,0,0,0,0|2,0,0]=4 810 B14R2.7150 [13CH3]SCc1cccc2c1nccc2 62a_200025704644_100000241032 [1,1,0,0,0,0|2,0,0]=4 811 B14R2.7150 [13CH3]SCc1ccnc2c1cccc2 62a_100015192512_200025704644 [1,1,0,0,0,0|2,0,0]=4 812 B14R2.7150 [13CH3]SCc1ccnc2c1cccc2 62a_200025704644_100015192512 [1,1,0,0,0,0|2,0,0]=4 813 B14R2.7150 [13CH3]SCc1nccc2c1cccc2 62a_100000033776_200025704644 [1,1,0,0,0,0|2,0,0]=4 814 B14R2.7150 [13CH3]SCc1nccc2c1cccc2 62a_200025704644_100000033776 [1,1,0,0,0,0|2,0,0]=4 815 B14R2.11635 C=Cc1cccc2c1c(ccc2)Br 271570a_100011290941_100010243825 [1,1,0,0,0,0|1,0,1]=4 816 B14R2.11635 C=Cc1cccc2c1c(ccc2)C 271570a_100011290941_100009995290 [1,1,0,0,0,0|1,0,1]=4 817 B14R2.11635 C=Cc1cccc2c1c(ccc2)F 271570a_100011290941_100010177852 [1,1,0,0,0,0|1,0,1]=4 818 B14R2.11635 C=Cc1cccc2c1c(ccc2)N 271570a_100011290941_100010002837 [1,1,0,0,0,0|1,0,1]=4 819 B14R2.11635 C=Cc1cccc2c1c(ccc2)O 271570a_100011290941_100010089961 [1,1,0,0,0,0|1,0,1]=4 820 B14R2.11635 CCc1cccc2c1c(ccc2)O 271570a_203496583355_202517441601 [1,1,0,0,0,0|1,0,0]=3 821 B14R2.11635 CNc1cccc2c1c(ccc2)Br 34a_100010002837_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B14R2.11635 CNc1cccc2c1c(ccc2)C 34a_100009841044_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B14R2.11635 CNc1cccc2c1c(ccc2)C 7a_100009841044_200000210301 [1,1,0,0,0,0|2,0,0]=4 824 B14R2.11635 CNc1cccc2c1c(ccc2)Cl 34a_100009857565_200000210301 [1,1,0,0,0,0|2,0,0]=4 825 B14R2.11635 CNc1cccc2c1c(ccc2)F 34a_100009878580_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B14R2.11635 CNc1cccc2c1c(ccc2)F 7a_100009878580_200000210301 [1,1,0,0,0,0|2,0,0]=4 827 B14R2.11635 COc1cccc2c1c(ccc2)Br 34a_100010089961_200000210301 [1,1,0,0,0,0|2,0,0]=4 828 B14R2.11635 COc1cccc2c1c(ccc2)Br 7a_100010089961_200000210301 [1,1,0,0,0,0|2,0,0]=4 829 B14R2.11635 COc1cccc2c1c(ccc2)O 271570a_203496583355_100010152499 [1,1,0,0,0,0|2,0,0]=4 830 B14R2.11635 CSc1cccc2c1c(ccc2)Br 62a_100010243825_200000210301 [1,1,0,0,0,0|2,0,0]=4 831 B14R2.11635 CSc1cccc2c1c(ccc2)Br 62a_200000210301_100010243825 [1,1,0,0,0,0|2,0,0]=4 832 B14R2.11635 CSc1cccc2c1c(ccc2)C 62a_200000210301_100009995290 [1,1,0,0,0,0|2,0,0]=4 833 B14R2.11635 CSc1cccc2c1c(ccc2)F 62a_100010177852_200000210301 [1,1,0,0,0,0|2,0,0]=4 834 B14R2.11635 CSc1cccc2c1c(ccc2)F 62a_200000210301_100010177852 [1,1,0,0,0,0|2,0,0]=4 835 B14R2.11635 CSc1cccc2c1c(ccc2)N 62a_100010002837_200000210301 [1,1,0,0,0,0|2,0,0]=4 836 B14R2.11635 CSc1cccc2c1c(ccc2)O 62a_200000210301_100010089961 [1,1,0,0,0,0|2,0,0]=4 837 B14R2.11635 Cc1cccc2c1c(ccc2)N[13CH3] 34a_100009841044_200025704644 [1,1,0,0,0,0|2,0,0]=4 838 B14R2.11635 Cc1cccc2c1c(ccc2)N[13CH3] 7a_100009841044_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B14R2.11635 Cc1cccc2c1c(ccc2)S[13CH3] 62a_200025704644_100009995290 [1,1,0,0,0,0|2,0,0]=4 840 B14R2.11635 N#Cc1cccc2c1c(ccc2)O 271570a_203496583355_200010152326 [1,1,0,0,0,0|0,0,2]=4 841 B14R2.11635 OCc1cccc2c1c(ccc2)O 271570a_203496583355_200009814114 [1,1,0,0,0,0|1,0,0]=3 842 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)Br 34a_100010002837_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)Cl 34a_100009857565_200025704644 [1,1,0,0,0,0|2,0,0]=4 844 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)F 34a_100009878580_200025704644 [1,1,0,0,0,0|2,0,0]=4 845 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)F 7a_100009878580_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B14R2.11635 [13CH3]Oc1cccc2c1c(ccc2)Br 34a_100010089961_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B14R2.11635 [13CH3]Oc1cccc2c1c(ccc2)Br 7a_100010089961_200025704644 [1,1,0,0,0,0|2,0,0]=4 848 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)Br 62a_100010243825_200025704644 [1,1,0,0,0,0|2,0,0]=4 849 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)Br 62a_200025704644_100010243825 [1,1,0,0,0,0|2,0,0]=4 850 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)F 62a_100010177852_200025704644 [1,1,0,0,0,0|2,0,0]=4 851 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)F 62a_200025704644_100010177852 [1,1,0,0,0,0|2,0,0]=4 852 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)N 62a_100010002837_200025704644 [1,1,0,0,0,0|2,0,0]=4 853 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)O 62a_200025704644_100010089961 [1,1,0,0,0,0|2,0,0]=4 854 B14R2.11684 C=Cc1cccc2c1cc(cc2)O 271570a_100011290941_100010169565 [1,1,0,0,0,0|1,0,1]=4 855 B14R2.11684 CNc1cccc2c1cc(cc2)Br 34a_100010090012_200000210301 [1,1,0,0,0,0|2,0,0]=4 856 B14R2.11684 CNc1cccc2c1cc(cc2)O 34a_100000034012_200000210301 [1,1,0,0,0,0|2,0,0]=4 857 B14R2.11684 COc1cccc2c1cc(cc2)Br 34a_100010089991_200000210301 [1,1,0,0,0,0|2,0,0]=4 858 B14R2.11684 COc1cccc2c1cc(cc2)Br 7a_100010089991_200000210301 [1,1,0,0,0,0|2,0,0]=4 859 B14R2.11684 COc1cccc2c1cc(cc2)C 34a_100000040781_200000210301 [1,1,0,0,0,0|2,0,0]=4 860 B14R2.11684 COc1cccc2c1cc(cc2)C 7a_100000040781_200000210301 [1,1,0,0,0,0|2,0,0]=4 861 B14R2.11684 COc1cccc2c1cc(cc2)Cl 34a_100009840344_200000210301 [1,1,0,0,0,0|2,0,0]=4 862 B14R2.11684 COc1cccc2c1cc(cc2)Cl 7a_100009840344_200000210301 [1,1,0,0,0,0|2,0,0]=4 863 B14R2.11684 COc1cccc2c1cc(cc2)F 34a_100009881884_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B14R2.11684 COc1cccc2c1cc(cc2)F 7a_100009881884_200000210301 [1,1,0,0,0,0|2,0,0]=4 865 B14R2.11684 COc1cccc2c1cc(cc2)N 34a_100132313934_200000210301 [1,1,0,0,0,0|2,0,0]=4 866 B14R2.11684 COc1cccc2c1cc(cc2)N 7a_100132313934_200000210301 [1,1,0,0,0,0|2,0,0]=4 867 B14R2.11684 CSc1cccc2c1cc(cc2)O 62a_200000210301_100010169565 [1,1,0,0,0,0|2,0,0]=4 868 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 34a_100000040781_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 7a_100000040781_200025704644 [1,1,0,0,0,0|2,0,0]=4 870 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)Br 34a_100010090012_200025704644 [1,1,0,0,0,0|2,0,0]=4 871 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)O 34a_100000034012_200025704644 [1,1,0,0,0,0|2,0,0]=4 872 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 34a_100010089991_200025704644 [1,1,0,0,0,0|2,0,0]=4 873 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 7a_100010089991_200025704644 [1,1,0,0,0,0|2,0,0]=4 874 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 34a_100009840344_200025704644 [1,1,0,0,0,0|2,0,0]=4 875 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 7a_100009840344_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 34a_100009881884_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 7a_100009881884_200025704644 [1,1,0,0,0,0|2,0,0]=4 878 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 34a_100132313934_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 7a_100132313934_200025704644 [1,1,0,0,0,0|2,0,0]=4 880 B14R2.11684 [13CH3]Sc1cccc2c1cc(cc2)O 62a_200025704644_100010169565 [1,1,0,0,0,0|2,0,0]=4 881 B14R2.31359 C=C(C)c1cccc2c1cccc2 271570a_100000694244_100000210605 [1,1,0,0,0,0|1,0,1]=4 882 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [1,1,0,0,0,0|1,0,1]=4 883 B14R2.31359 CN(C)c1cccc2c1cccc2 2230a_100000220138_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B14R2.31359 CN(C)c1cccc2c1cccc2 269982a_100000220138_200000210301 [1,1,0,0,0,0|2,0,0]=4 885 B14R2.31359 CN(C)c1cccc2c1cccc2 34a_100000220138_200000210301 [1,1,0,0,0,0|2,0,0]=4 886 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 2230a_100000220138_200025704644 [1,1,0,0,0,0|2,0,0]=4 887 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 269982a_100000220138_200025704644 [1,1,0,0,0,0|2,0,0]=4 888 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 34a_100000220138_200025704644 [1,1,0,0,0,0|2,0,0]=4 889 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [1,1,0,0,0,0|1,0,1]=4 890 B14R2.6188 CNCc1c(ccc2c1cco2)F 207a_100102657272_100009823865 [0,1,0,0,1,0|2,0,0]=4 891 B14R2.6188 CNCc1c(ccc2c1cco2)F 270004a_106832991635_100009823865 [0,1,0,0,1,0|2,0,0]=4 892 B14R2.517 CNCc1c(sc2c1cccc2)C 207a_100102657272_100000066825 [0,1,0,0,1,0|2,0,0]=4 893 B14R2.517 CNCc1c(sc2c1cccc2)C 270004a_106832991635_100000066825 [0,1,0,0,1,0|2,0,0]=4 894 B16R2.2073 C=C(C)c1c(ccc2c1cccc2)OC 271570a_100000694244_100000173347 [0,2,0,0,0,0|1,0,1]=4 895 B16R2.2073 CC(=O)c1c(ccc2c1cccc2)O[13CH3] 7a_100000011452_200025704644 [0,2,0,0,0,0|1,0,1]=4 896 B16R2.2073 COc1ccc2ccccc2c1C(=O)C 1458a_100011214975_200000210301 [0,2,0,0,0,0|1,0,1]=4 897 B16R2.2073 COc1ccc2ccccc2c1C(=O)C 7a_100000011452_200000210301 [0,2,0,0,0,0|1,0,1]=4 898 B16R2.2073 COc1ccc2ccccc2c1C(=O)[13CH3] 1458a_100011214975_200025704644 [0,2,0,0,0,0|1,0,1]=4 899 B16R2.2073 COc1ccc2ccccc2c1[N+](=O)[O-] 34a_100000037421_200000210301 [0,2,0,0,0,0|2,0,0]=4 900 B16R2.2073 COc1ccc2ccccc2c1[N+](=O)[O-] 7a_100000037421_200000210301 [0,2,0,0,0,0|2,0,0]=4 901 B16R2.2073 [13CH3]Oc1ccc2ccccc2c1[N+](=O)[O-] 34a_100000037421_200025704644 [0,2,0,0,0,0|2,0,0]=4 902 B16R2.2073 [13CH3]Oc1ccc2ccccc2c1[N+](=O)[O-] 7a_100000037421_200025704644 [0,2,0,0,0,0|2,0,0]=4 903 B16R2.34040 CCC(=O)c1c(ccc2c1cccc2)C 1458a_100011933975_100000210202 [0,2,0,0,0,0|2,0,0]=4 904 B16R2.34040 CCC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_100000210202 [0,2,0,0,0,0|1,0,0]=3 905 B16R2.34040 CNC(=O)c1c(ccc2c1cccc2)C 11a_106832991635_100011933975 [0,2,0,0,0,0|1,0,1]=4 906 B16R2.34040 CNC(=O)c1c(ccc2c1cccc2)C 1626a_100102657272_100011933975 [0,2,0,0,0,0|1,0,1]=4 907 B16R2.34040 CNC(=O)c1c(ccc2c1cccc2)C 240690a_100102657272_100011933975 [0,2,0,0,0,0|1,0,1]=4 908 B16R2.34040 CNC(=O)c1c(ccc2c1cccc2)O 240690a_100102657272_100011219592 [0,2,0,0,0,0|0,0,1]=3 909 B16R2.34040 Cc1ccc2ccccc2c1C(=O)CF 1458a_100011933975_100015361967 [0,2,0,0,0,0|2,0,0]=4 910 B16R2.34040 O=C(CF)c1c(ccc2c1cccc2)O 1458a_100011219592_100015361967 [0,2,0,0,0,0|1,0,0]=3 911 B16R2.7475 C=Cc1c(ccc2c1cc(cc2)C)OC 271570a_100011290941_203437268721 [0,2,0,0,0,0|1,0,1]=4 912 B16R2.7475 COc1ccc2ccc(cc2c1SC)C 62a_200000210301_203437268721 [0,2,0,0,0,0|2,0,0]=4 913 B16R2.7475 COc1ccc2ccc(cc2c1S[13CH3])C 62a_200025704644_203437268721 [0,2,0,0,0,0|2,0,0]=4 914 B16R2.28256 C=Cc1c(ccc2c1cccc2)COC 271570a_100011290941_200009813570 [0,2,0,0,0,0|1,0,1]=4 915 B16R2.28256 C=Cc1c(ccc2c1cccc2)OCC 271570a_100011290941_200000173018 [0,2,0,0,0,0|1,0,1]=4 916 B16R2.28256 CCOc1ccc2ccccc2c1N=O 34a_100000212102_100000210202 [0,2,0,0,0,0|2,0,0]=4 917 B16R2.28256 CCOc1ccc2ccccc2c1N=O 7a_100000212102_100000210202 [0,2,0,0,0,0|2,0,0]=4 918 B16R2.28256 CCOc1ccc2ccccc2c1SC 62a_200000210301_200000173018 [0,2,0,0,0,0|2,0,0]=4 919 B16R2.28256 CCOc1ccc2ccccc2c1S[13CH3] 62a_200025704644_200000173018 [0,2,0,0,0,0|2,0,0]=4 920 B16R2.28256 COCc1ccc2ccccc2c1OC 34a_200000067034_200000210301 [0,2,0,0,0,0|2,0,0]=4 921 B16R2.28256 COCc1ccc2ccccc2c1OC 7a_200000067034_200000210301 [0,2,0,0,0,0|2,0,0]=4 922 B16R2.28256 COCc1ccc2ccccc2c1SC 62a_200000210301_200009813570 [0,2,0,0,0,0|2,0,0]=4 923 B16R2.28256 COCc1ccc2ccccc2c1SC 62a_200009813570_200000210301 [0,2,0,0,0,0|2,0,0]=4 924 B16R2.28256 COCc1ccc2ccccc2c1S[13CH3] 62a_200009813570_200025704644 [0,2,0,0,0,0|2,0,0]=4 925 B16R2.28256 COCc1ccc2ccccc2c1S[13CH3] 62a_200025704644_200009813570 [0,2,0,0,0,0|2,0,0]=4 926 B16R2.28256 COc1c(ccc2c1cccc2)CO[13CH3] 34a_200000067034_200025704644 [0,2,0,0,0,0|2,0,0]=4 927 B16R2.28256 COc1c(ccc2c1cccc2)CO[13CH3] 7a_200000067034_200025704644 [0,2,0,0,0,0|2,0,0]=4 928 B16R2.28256 O=Nc1c(ccc2c1cccc2)OCF 34a_100000212102_100015361967 [0,2,0,0,0,0|2,0,0]=4 929 B16R2.28256 O=Nc1c(ccc2c1cccc2)OCF 7a_100000212102_100015361967 [0,2,0,0,0,0|2,0,0]=4 930 B16R2.105078 C=C=Cc1c(ccc2c1cccc2)OC 271570a_100015277604_100000173347 [0,2,0,0,0,0|1,0,1]=4 931 B16R2.105078 CC=Cc1c(ccc2c1cccc2)OC 271570a_100016259895_100000173347 [0,2,0,0,0,0|1,0,1]=4 932 B16R2.105078 CCNc1c(ccc2c1cccc2)OC 34a_100009884440_100000210202 [0,2,0,0,0,0|1,0,0]=3 933 B16R2.105078 CCOc1c(ccc2c1cccc2)N=O 34a_100000212301_100000210202 [0,2,0,0,0,0|1,0,1]=4 934 B16R2.105078 CCSc1c(ccc2c1cccc2)C=O 62a_100000210202_100009813496 [0,2,0,0,0,0|1,0,1]=4 935 B16R2.105078 CCSc1c(ccc2c1cccc2)C=O 62a_100009813496_100000210202 [0,2,0,0,0,0|1,0,1]=4 936 B16R2.105078 CCSc1c(ccc2c1cccc2)OC 62a_100000210202_100000173347 [0,2,0,0,0,0|1,0,0]=3 937 B16R2.105078 CCSc1c(ccc2c1nccc2)OC 62a_100000210202_100010071576 [0,2,0,0,0,0|2,0,0]=4 938 B16R2.105078 CNCc1c(ccc2c1cccc2)OC 207a_100102657272_100000169848 [0,2,0,0,0,0|0,0,0]=2 939 B16R2.105078 CNCc1c(ccc2c1cccc2)OC 270004a_106832991635_100000169848 [0,2,0,0,0,0|0,0,0]=2 940 B16R2.105078 COCc1c(ccc2c1cccc2)OC 34a_100000215732_200000210301 [0,2,0,0,0,0|1,0,0]=3 941 B16R2.105078 COCc1c(ccc2c1cccc2)OC 7a_100000215732_200000210301 [0,2,0,0,0,0|1,0,0]=3 942 B16R2.105078 COc1ccc2ccccc2c1CO[13CH3] 34a_100000215732_200025704644 [0,2,0,0,0,0|1,0,0]=3 943 B16R2.105078 COc1ccc2ccccc2c1CO[13CH3] 7a_100000215732_200025704644 [0,2,0,0,0,0|1,0,0]=3 944 B16R2.105078 COc1ccc2ccccc2c1NCF 34a_100009884440_100015361967 [0,2,0,0,0,0|1,0,0]=3 945 B16R2.105078 COc1ccc2ccccc2c1SCF 62a_100015361967_100000173347 [0,2,0,0,0,0|1,0,0]=3 946 B16R2.105078 COc1ccc2cccnc2c1SCF 62a_100015361967_100010071576 [0,2,0,0,0,0|2,0,0]=4 947 B16R2.105078 O=Cc1ccc2ccccc2c1SCF 62a_100009813496_100015361967 [0,2,0,0,0,0|1,0,1]=4 948 B16R2.105078 O=Cc1ccc2ccccc2c1SCF 62a_100015361967_100009813496 [0,2,0,0,0,0|1,0,1]=4 949 B16R2.105078 O=Nc1ccc2ccccc2c1OCF 34a_100000212301_100015361967 [0,2,0,0,0,0|1,0,1]=4 950 B16R2.115192 CCSc1c(ccc2c1ccc(n2)C)O 62a_100000210202_100010269489 [0,2,0,0,0,0|2,0,0]=4 951 B16R2.115192 Cc1ccc2c(c(ccc2n1)O)SCF 62a_100015361967_100010269489 [0,2,0,0,0,0|2,0,0]=4 952 B16R2.44545 CCNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_100000210202 [0,2,0,0,0,0|2,0,0]=4 953 B16R2.44545 CCNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_100000210202 [0,2,0,0,0,0|2,0,0]=4 954 B16R2.44545 CCOc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100000210202 [0,2,0,0,0,0|2,0,0]=4 955 B16R2.44545 CCOc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_100000210202 [0,2,0,0,0,0|2,0,0]=4 956 B16R2.44545 CNCc1c(cc(c2c1cccc2)Cl)Cl 26a_100102657272_100000042667 [0,2,0,0,0,0|1,0,0]=3 957 B16R2.44545 CNCc1c(cc(c2c1nccc2)Br)Br 26a_100102657272_100000211973 [0,2,0,0,0,0|2,0,0]=4 958 B16R2.44545 CNCc1c(cc(c2c1nccc2)Cl)Br 26a_100102657272_100009813450 [0,2,0,0,0,0|2,0,0]=4 959 B16R2.44545 FCNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_100015361967 [0,2,0,0,0,0|2,0,0]=4 960 B16R2.44545 FCNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_100015361967 [0,2,0,0,0,0|2,0,0]=4 961 B16R2.44545 FCOc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100015361967 [0,2,0,0,0,0|2,0,0]=4 962 B16R2.44545 FCOc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_100015361967 [0,2,0,0,0,0|2,0,0]=4 963 B16R2.333 CC(=Cc1c(ccc2c1cccc2)O)C 271570a_100102525489_100000183829 [0,2,0,0,0,0|1,0,1]=4 964 B16R2.333 CC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000070787_100000689653 [0,2,0,0,0,0|2,0,0]=4 965 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O 22a_100000007056_100000070787 [0,2,0,0,0,0|1,0,1]=4 966 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O 527a_100000007056_100103153847 [0,2,0,0,0,0|1,0,1]=4 967 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)Br 34a_100009817101_100000210206 [0,2,0,0,0,0|2,0,0]=4 968 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210206 [0,2,0,0,0,0|2,0,0]=4 969 B16R2.333 CC(C)Nc1c(ccc2c1cccc2)O 34a_100000007056_100000210206 [0,2,0,0,0,0|1,0,0]=3 970 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)Br 34a_100009996032_100000210206 [0,2,0,0,0,0|2,0,0]=4 971 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)Br 7a_100009996032_100000210206 [0,2,0,0,0,0|2,0,0]=4 972 B16R2.333 CC(C)Oc1c(ccc2c1cccc2)N 34a_100000007060_100000210206 [0,2,0,0,0,0|2,0,0]=4 973 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)Br 62a_100000210206_100010090040 [0,2,0,0,0,0|2,0,0]=4 974 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)Br 62a_100010090040_100000210206 [0,2,0,0,0,0|2,0,0]=4 975 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)N 62a_100000210206_100000705303 [0,2,0,0,0,0|2,0,0]=4 976 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)N 62a_100000705303_100000210206 [0,2,0,0,0,0|2,0,0]=4 977 B16R2.333 CC(C)Sc1c(ccc2c1cccc2)O 62a_100000210206_100000183829 [0,2,0,0,0,0|1,0,0]=3 978 B16R2.333 CC(C)Sc1c(ccc2c1cncc2)O 62a_100000210206_200010115057 [0,2,0,0,0,0|2,0,0]=4 979 B16R2.333 CC(C)Sc1c(ccc2c1nccc2)O 62a_100000210206_100010173343 [0,2,0,0,0,0|2,0,0]=4 980 B16R2.333 CN(C)Cc1c(ccc2c1cccc2)Br 270004a_100102631434_100010090029 [0,2,0,0,0,0|1,0,0]=3 981 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 2230a_100102631434_100000689653 [0,2,0,0,0,0|1,0,0]=3 982 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 269982a_100102631434_100000689653 [0,2,0,0,0,0|1,0,0]=3 983 B16R2.333 Cc1ccc2ccccc2c1CN(C)C 270004a_100102631434_100011361466 [0,2,0,0,0,0|1,0,0]=3 984 B16R2.333 Cc1ccc2ccccc2c1NC(C)C 34a_100000688109_100000210206 [0,2,0,0,0,0|2,0,0]=4 985 B16R2.333 Cc1ccc2ccccc2c1OC(C)C 34a_100000039261_100000210206 [0,2,0,0,0,0|2,0,0]=4 986 B16R2.333 Cc1ccc2ccccc2c1OC(C)C 7a_100000039261_100000210206 [0,2,0,0,0,0|2,0,0]=4 987 B16R2.333 Cc1ccc2ccccc2c1SC(C)C 62a_100000210206_100000759710 [0,2,0,0,0,0|2,0,0]=4 988 B16R2.333 Cc1ccc2ccccc2c1SC(C)C 62a_100000759710_100000210206 [0,2,0,0,0,0|2,0,0]=4 989 B16R2.30013 C#CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000184674 [0,2,0,0,0,0|2,0,0]=4 990 B16R2.30013 C#CCNc1c(ccc2c1cccc2)C 34a_100000688109_100000184674 [0,2,0,0,0,0|2,0,0]=4 991 B16R2.30013 C#CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000184674 [0,2,0,0,0,0|2,0,0]=4 992 B16R2.30013 C#CCNc1c(ccc2c1cccc2)O 34a_100000007056_100000184674 [0,2,0,0,0,0|1,0,0]=3 993 B16R2.30013 C#CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000184674 [0,2,0,0,0,0|2,0,0]=4 994 B16R2.30013 C#CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000038162 [0,2,0,0,0,0|2,0,0]=4 995 B16R2.30013 C#CCOc1c(ccc2c1cccc2)C 34a_100000039261_100000184674 [0,2,0,0,0,0|2,0,0]=4 996 B16R2.30013 C#CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000038162 [0,2,0,0,0,0|2,0,0]=4 997 B16R2.30013 C#CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000184674 [0,2,0,0,0,0|2,0,0]=4 998 B16R2.30013 C#CCSc1c(ccc2c1cccc2)Br 62a_100000038162_100010090040 [0,2,0,0,0,0|2,0,0]=4 999 B16R2.30013 C#CCSc1c(ccc2c1cccc2)C 62a_100000038162_100000759710 [0,2,0,0,0,0|2,0,0]=4 1000 B16R2.30013 C#CCSc1c(ccc2c1cccc2)N 62a_100000038162_100000705303 [0,2,0,0,0,0|2,0,0]=4 1001 B16R2.30013 C#CCSc1c(ccc2c1cccc2)O 62a_100000038162_100000183829 [0,2,0,0,0,0|1,0,0]=3 1002 B16R2.30013 C#CCSc1c(ccc2c1cncc2)O 62a_100000038162_200010115057 [0,2,0,0,0,0|2,0,0]=4 1003 B16R2.30013 C#CCSc1c(ccc2c1nccc2)O 62a_100000038162_100010173343 [0,2,0,0,0,0|2,0,0]=4 1004 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100015514636 [0,2,0,0,0,0|2,0,0]=4 1005 B16R2.30013 C=CCNc1c(ccc2c1cccc2)C 34a_100000688109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1006 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100015514636 [0,2,0,0,0,0|2,0,0]=4 1007 B16R2.30013 C=CCNc1c(ccc2c1cccc2)O 34a_100000007056_100015514636 [0,2,0,0,0,0|1,0,0]=3 1008 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100015514636 [0,2,0,0,0,0|2,0,0]=4 1009 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100015514636 [0,2,0,0,0,0|2,0,0]=4 1010 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 34a_100000039261_100015514636 [0,2,0,0,0,0|2,0,0]=4 1011 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 7a_100000039261_100015514636 [0,2,0,0,0,0|2,0,0]=4 1012 B16R2.30013 C=CCOc1c(ccc2c1cccc2)N 34a_100000007060_100015514636 [0,2,0,0,0,0|2,0,0]=4 1013 B16R2.30013 C=CCSc1c(ccc2c1cccc2)Br 62a_100000210623_100010090040 [0,2,0,0,0,0|2,0,0]=4 1014 B16R2.30013 C=CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210623 [0,2,0,0,0,0|2,0,0]=4 1015 B16R2.30013 C=CCSc1c(ccc2c1cccc2)C 62a_100000210623_100000759710 [0,2,0,0,0,0|2,0,0]=4 1016 B16R2.30013 C=CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210623 [0,2,0,0,0,0|2,0,0]=4 1017 B16R2.30013 C=CCSc1c(ccc2c1cccc2)N 62a_100000210623_100000705303 [0,2,0,0,0,0|2,0,0]=4 1018 B16R2.30013 C=CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210623 [0,2,0,0,0,0|2,0,0]=4 1019 B16R2.30013 C=CCSc1c(ccc2c1cccc2)O 62a_100000210623_100000183829 [0,2,0,0,0,0|1,0,0]=3 1020 B16R2.30013 C=CCSc1c(ccc2c1cncc2)O 62a_100000210623_200010115057 [0,2,0,0,0,0|2,0,0]=4 1021 B16R2.30013 C=CCSc1c(ccc2c1nccc2)O 62a_100000210623_100010173343 [0,2,0,0,0,0|2,0,0]=4 1022 B16R2.30013 CCCCc1c(ccc2c1cccc2)Br 271570a_100020621405_100010090040 [0,2,0,0,0,0|2,0,0]=4 1023 B16R2.30013 CCCCc1c(ccc2c1cccc2)C 271570a_100020621405_100000759710 [0,2,0,0,0,0|2,0,0]=4 1024 B16R2.30013 CCCCc1c(ccc2c1cccc2)N 271570a_100020621405_100000705303 [0,2,0,0,0,0|2,0,0]=4 1025 B16R2.30013 CCCCc1c(ccc2c1cccc2)O 271570a_100020621405_100000183829 [0,2,0,0,0,0|1,0,0]=3 1026 B16R2.30013 CCCCc1c(ccc2c1cncc2)O 271570a_100020621405_200010115057 [0,2,0,0,0,0|2,0,0]=4 1027 B16R2.30013 CCCCc1c(ccc2c1nccc2)O 271570a_100020621405_100010173343 [0,2,0,0,0,0|2,0,0]=4 1028 B16R2.30013 CCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210303 [0,2,0,0,0,0|2,0,0]=4 1029 B16R2.30013 CCCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210303 [0,2,0,0,0,0|2,0,0]=4 1030 B16R2.30013 CCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210303 [0,2,0,0,0,0|2,0,0]=4 1031 B16R2.30013 CCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210303 [0,2,0,0,0,0|1,0,0]=3 1032 B16R2.30013 CCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210303 [0,2,0,0,0,0|2,0,0]=4 1033 B16R2.30013 CCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210303 [0,2,0,0,0,0|2,0,0]=4 1034 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210303 [0,2,0,0,0,0|2,0,0]=4 1035 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210303 [0,2,0,0,0,0|2,0,0]=4 1036 B16R2.30013 CCCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210303 [0,2,0,0,0,0|2,0,0]=4 1037 B16R2.30013 CCCSc1c(ccc2c1cccc2)Br 62a_100000210303_100010090040 [0,2,0,0,0,0|2,0,0]=4 1038 B16R2.30013 CCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210303 [0,2,0,0,0,0|2,0,0]=4 1039 B16R2.30013 CCCSc1c(ccc2c1cccc2)C 62a_100000210303_100000759710 [0,2,0,0,0,0|2,0,0]=4 1040 B16R2.30013 CCCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210303 [0,2,0,0,0,0|2,0,0]=4 1041 B16R2.30013 CCCSc1c(ccc2c1cccc2)N 62a_100000210303_100000705303 [0,2,0,0,0,0|2,0,0]=4 1042 B16R2.30013 CCCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210303 [0,2,0,0,0,0|2,0,0]=4 1043 B16R2.30013 CCCSc1c(ccc2c1cccc2)O 62a_100000210303_100000183829 [0,2,0,0,0,0|1,0,0]=3 1044 B16R2.30013 CCCSc1c(ccc2c1cncc2)O 62a_100000210303_200010115057 [0,2,0,0,0,0|2,0,0]=4 1045 B16R2.30013 CCCSc1c(ccc2c1nccc2)O 62a_100000210303_100010173343 [0,2,0,0,0,0|2,0,0]=4 1046 B16R2.30013 CCNCc1c(ccc2c1cccc2)Br 207a_100015525214_100010090029 [0,2,0,0,0,0|1,0,0]=3 1047 B16R2.30013 CCNCc1c(ccc2c1cccc2)Br 270004a_100015525214_100010090029 [0,2,0,0,0,0|1,0,0]=3 1048 B16R2.30013 CCNCc1c(ccc2c1cccc2)C 207a_100015525214_100011361466 [0,2,0,0,0,0|1,0,0]=3 1049 B16R2.30013 CCNCc1c(ccc2c1cccc2)C 2230a_100015525214_100000689653 [0,2,0,0,0,0|1,0,0]=3 1050 B16R2.30013 CCNCc1c(ccc2c1cccc2)C 270004a_100015525214_100011361466 [0,2,0,0,0,0|1,0,0]=3 1051 B16R2.30013 CCOCc1c(ccc2c1cccc2)C 34a_100121572206_100000689653 [0,2,0,0,0,0|2,0,0]=4 1052 B16R2.30013 CCSCc1c(ccc2c1cccc2)C 62a_100000210202_100000689653 [0,2,0,0,0,0|2,0,0]=4 1053 B16R2.30013 CCSCc1c(ccc2c1cccc2)C 62a_100000689653_100000210202 [0,2,0,0,0,0|2,0,0]=4 1054 B16R2.30013 COCSc1c(ccc2c1cccc2)Br 62a_100000766300_100010090040 [0,2,0,0,0,0|2,0,0]=4 1055 B16R2.30013 COCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000766300 [0,2,0,0,0,0|2,0,0]=4 1056 B16R2.30013 COCSc1c(ccc2c1cccc2)C 62a_100000759710_100000766300 [0,2,0,0,0,0|2,0,0]=4 1057 B16R2.30013 COCSc1c(ccc2c1cccc2)C 62a_100000766300_100000759710 [0,2,0,0,0,0|2,0,0]=4 1058 B16R2.30013 COCSc1c(ccc2c1cccc2)N 62a_100000705303_100000766300 [0,2,0,0,0,0|2,0,0]=4 1059 B16R2.30013 COCSc1c(ccc2c1cccc2)N 62a_100000766300_100000705303 [0,2,0,0,0,0|2,0,0]=4 1060 B16R2.30013 COCSc1c(ccc2c1cccc2)O 62a_100000766300_100000183829 [0,2,0,0,0,0|1,0,0]=3 1061 B16R2.30013 COCSc1c(ccc2c1cncc2)O 62a_100000766300_200010115057 [0,2,0,0,0,0|2,0,0]=4 1062 B16R2.30013 COCSc1c(ccc2c1nccc2)O 62a_100000766300_100010173343 [0,2,0,0,0,0|2,0,0]=4 1063 B16R2.30013 CSCNc1c(ccc2c1cccc2)Br 34a_100009817101_100011218213 [0,2,0,0,0,0|2,0,0]=4 1064 B16R2.30013 CSCNc1c(ccc2c1cccc2)C 34a_100000688109_100011218213 [0,2,0,0,0,0|2,0,0]=4 1065 B16R2.30013 CSCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100011218213 [0,2,0,0,0,0|2,0,0]=4 1066 B16R2.30013 CSCNc1c(ccc2c1cccc2)O 34a_100000007056_100011218213 [0,2,0,0,0,0|1,0,0]=3 1067 B16R2.30013 CSCOc1c(ccc2c1cccc2)Br 34a_100009996032_100011218213 [0,2,0,0,0,0|2,0,0]=4 1068 B16R2.30013 CSCOc1c(ccc2c1cccc2)C 34a_100000039261_100011218213 [0,2,0,0,0,0|2,0,0]=4 1069 B16R2.30013 CSCOc1c(ccc2c1cccc2)N 34a_100000007060_100011218213 [0,2,0,0,0,0|2,0,0]=4 1070 B16R2.30013 CSCSc1c(ccc2c1cccc2)Br 62a_100010090040_100011218213 [0,2,0,0,0,0|2,0,0]=4 1071 B16R2.30013 CSCSc1c(ccc2c1cccc2)Br 62a_100011218213_100010090040 [0,2,0,0,0,0|2,0,0]=4 1072 B16R2.30013 CSCSc1c(ccc2c1cccc2)C 62a_100000759710_100011218213 [0,2,0,0,0,0|2,0,0]=4 1073 B16R2.30013 CSCSc1c(ccc2c1cccc2)C 62a_100011218213_100000759710 [0,2,0,0,0,0|2,0,0]=4 1074 B16R2.30013 CSCSc1c(ccc2c1cccc2)N 62a_100000705303_100011218213 [0,2,0,0,0,0|2,0,0]=4 1075 B16R2.30013 CSCSc1c(ccc2c1cccc2)N 62a_100011218213_100000705303 [0,2,0,0,0,0|2,0,0]=4 1076 B16R2.30013 CSCSc1c(ccc2c1cccc2)O 62a_100011218213_100000183829 [0,2,0,0,0,0|1,0,0]=3 1077 B16R2.30013 CSCSc1c(ccc2c1cncc2)O 62a_100011218213_200010115057 [0,2,0,0,0,0|2,0,0]=4 1078 B16R2.30013 CSCSc1c(ccc2c1nccc2)O 62a_100011218213_100010173343 [0,2,0,0,0,0|2,0,0]=4 1079 B16R2.30013 Cc1ccc2ccccc2c1CSCF 62a_100000689653_100015361967 [0,2,0,0,0,0|2,0,0]=4 1080 B16R2.30013 Cc1ccc2ccccc2c1CSCF 62a_100015361967_100000689653 [0,2,0,0,0,0|2,0,0]=4 1081 B16R2.30013 Cc1ccc2ccccc2c1NCC=O 34a_100000688109_200009817547 [0,2,0,0,0,0|2,0,0]=4 1082 B16R2.30013 Cc1ccc2ccccc2c1NCCF 34a_100000688109_100011217306 [0,2,0,0,0,0|2,0,0]=4 1083 B16R2.30013 Cc1ccc2ccccc2c1NCCO 34a_100000688109_100000211926 [0,2,0,0,0,0|2,0,0]=4 1084 B16R2.30013 Cc1ccc2ccccc2c1OCC#N 7a_100000039261_100011215382 [0,2,0,0,0,0|1,0,1]=4 1085 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 34a_100000039261_200009817547 [0,2,0,0,0,0|2,0,0]=4 1086 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 7a_100000039261_200015260668 [0,2,0,0,0,0|2,0,0]=4 1087 B16R2.30013 Cc1ccc2ccccc2c1OCCF 34a_100000039261_100011217306 [0,2,0,0,0,0|2,0,0]=4 1088 B16R2.30013 Cc1ccc2ccccc2c1OCCF 7a_100000039261_100011217306 [0,2,0,0,0,0|2,0,0]=4 1089 B16R2.30013 Cc1ccc2ccccc2c1OCCO 34a_100000039261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1090 B16R2.30013 Cc1ccc2ccccc2c1OCCO 7a_100000039261_100000211926 [0,2,0,0,0,0|2,0,0]=4 1091 B16R2.30013 Cc1ccc2ccccc2c1SCC#N 62a_100000759710_100011215382 [0,2,0,0,0,0|1,0,1]=4 1092 B16R2.30013 Cc1ccc2ccccc2c1SCC#N 62a_100011215382_100000759710 [0,2,0,0,0,0|1,0,1]=4 1093 B16R2.30013 Cc1ccc2ccccc2c1SCC=O 62a_100000759710_200015260668 [0,2,0,0,0,0|2,0,0]=4 1094 B16R2.30013 Cc1ccc2ccccc2c1SCC=O 62a_200015260668_100000759710 [0,2,0,0,0,0|2,0,0]=4 1095 B16R2.30013 Cc1ccc2ccccc2c1SCCF 62a_100000759710_100011217306 [0,2,0,0,0,0|2,0,0]=4 1096 B16R2.30013 Cc1ccc2ccccc2c1SCCF 62a_100011217306_100000759710 [0,2,0,0,0,0|2,0,0]=4 1097 B16R2.30013 Cc1ccc2ccccc2c1SCCO 62a_100000211926_100000759710 [0,2,0,0,0,0|2,0,0]=4 1098 B16R2.30013 Cc1ccc2ccccc2c1SCCO 62a_100000759710_100000211926 [0,2,0,0,0,0|2,0,0]=4 1099 B16R2.30013 FCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100011217306 [0,2,0,0,0,0|2,0,0]=4 1100 B16R2.30013 FCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100011217306 [0,2,0,0,0,0|2,0,0]=4 1101 B16R2.30013 FCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100011217306 [0,2,0,0,0,0|2,0,0]=4 1102 B16R2.30013 FCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100011217306 [0,2,0,0,0,0|2,0,0]=4 1103 B16R2.30013 FCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100011217306 [0,2,0,0,0,0|2,0,0]=4 1104 B16R2.30013 FCCSc1c(ccc2c1cccc2)Br 62a_100011217306_100010090040 [0,2,0,0,0,0|2,0,0]=4 1105 B16R2.30013 N#CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100011215382 [0,2,0,0,0,0|1,0,1]=4 1106 B16R2.30013 N#CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100011215382 [0,2,0,0,0,0|1,0,1]=4 1107 B16R2.30013 N#CCSc1c(ccc2c1cccc2)Br 62a_100011215382_100010090040 [0,2,0,0,0,0|1,0,1]=4 1108 B16R2.30013 N#CCSc1c(ccc2c1cccc2)N 62a_100000705303_100011215382 [0,2,0,0,0,0|1,0,1]=4 1109 B16R2.30013 N#CCSc1c(ccc2c1cccc2)N 62a_100011215382_100000705303 [0,2,0,0,0,0|1,0,1]=4 1110 B16R2.30013 N#CCSc1c(ccc2c1cccc2)O 62a_100011215382_100000183829 [0,2,0,0,0,0|0,0,1]=3 1111 B16R2.30013 N#CCSc1c(ccc2c1cncc2)O 62a_100011215382_200010115057 [0,2,0,0,0,0|1,0,1]=4 1112 B16R2.30013 N#CCSc1c(ccc2c1nccc2)O 62a_100011215382_100010173343 [0,2,0,0,0,0|1,0,1]=4 1113 B16R2.30013 Nc1ccc2ccccc2c1OCC=O 34a_100000007060_200009817547 [0,2,0,0,0,0|2,0,0]=4 1114 B16R2.30013 Nc1ccc2ccccc2c1OCCF 34a_100000007060_100011217306 [0,2,0,0,0,0|2,0,0]=4 1115 B16R2.30013 Nc1ccc2ccccc2c1OCCO 34a_100000007060_100000211926 [0,2,0,0,0,0|2,0,0]=4 1116 B16R2.30013 Nc1ccc2ccccc2c1SCC=O 62a_100000705303_200015260668 [0,2,0,0,0,0|2,0,0]=4 1117 B16R2.30013 Nc1ccc2ccccc2c1SCC=O 62a_200015260668_100000705303 [0,2,0,0,0,0|2,0,0]=4 1118 B16R2.30013 Nc1ccc2ccccc2c1SCCF 62a_100000705303_100011217306 [0,2,0,0,0,0|2,0,0]=4 1119 B16R2.30013 Nc1ccc2ccccc2c1SCCF 62a_100011217306_100000705303 [0,2,0,0,0,0|2,0,0]=4 1120 B16R2.30013 Nc1ccc2ccccc2c1SCCO 62a_100000211926_100000705303 [0,2,0,0,0,0|2,0,0]=4 1121 B16R2.30013 Nc1ccc2ccccc2c1SCCO 62a_100000705303_100000211926 [0,2,0,0,0,0|2,0,0]=4 1122 B16R2.30013 O=CCNc1c(ccc2c1cccc2)Br 34a_100009817101_200009817547 [0,2,0,0,0,0|2,0,0]=4 1123 B16R2.30013 O=CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_200009817547 [0,2,0,0,0,0|2,0,0]=4 1124 B16R2.30013 O=CCNc1c(ccc2c1cccc2)O 34a_100000007056_200009817547 [0,2,0,0,0,0|1,0,0]=3 1125 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 34a_100009996032_200009817547 [0,2,0,0,0,0|2,0,0]=4 1126 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 7a_100009996032_200015260668 [0,2,0,0,0,0|2,0,0]=4 1127 B16R2.30013 O=CCSc1c(ccc2c1cccc2)Br 62a_100010090040_200015260668 [0,2,0,0,0,0|2,0,0]=4 1128 B16R2.30013 O=CCSc1c(ccc2c1cccc2)Br 62a_200015260668_100010090040 [0,2,0,0,0,0|2,0,0]=4 1129 B16R2.30013 O=CCSc1c(ccc2c1cccc2)O 62a_200015260668_100000183829 [0,2,0,0,0,0|1,0,0]=3 1130 B16R2.30013 O=CCSc1c(ccc2c1cncc2)O 62a_200015260668_200010115057 [0,2,0,0,0,0|2,0,0]=4 1131 B16R2.30013 O=CCSc1c(ccc2c1nccc2)O 62a_200015260668_100010173343 [0,2,0,0,0,0|2,0,0]=4 1132 B16R2.30013 OCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000211926 [0,2,0,0,0,0|2,0,0]=4 1133 B16R2.30013 OCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000211926 [0,2,0,0,0,0|2,0,0]=4 1134 B16R2.30013 OCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000211926 [0,2,0,0,0,0|1,0,0]=3 1135 B16R2.30013 OCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000211926 [0,2,0,0,0,0|2,0,0]=4 1136 B16R2.30013 OCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000211926 [0,2,0,0,0,0|2,0,0]=4 1137 B16R2.30013 OCCSc1c(ccc2c1cccc2)Br 62a_100000211926_100010090040 [0,2,0,0,0,0|2,0,0]=4 1138 B16R2.30013 OCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000211926 [0,2,0,0,0,0|2,0,0]=4 1139 B16R2.30013 OCCSc1c(ccc2c1cccc2)O 62a_100000211926_100000183829 [0,2,0,0,0,0|1,0,0]=3 1140 B16R2.30013 OCCSc1c(ccc2c1cncc2)O 62a_100000211926_200010115057 [0,2,0,0,0,0|2,0,0]=4 1141 B16R2.30013 OCCSc1c(ccc2c1nccc2)O 62a_100000211926_100010173343 [0,2,0,0,0,0|2,0,0]=4 1142 B16R2.30013 Oc1ccc2ccccc2c1NCCF 34a_100000007056_100011217306 [0,2,0,0,0,0|1,0,0]=3 1143 B16R2.30013 Oc1ccc2ccccc2c1SCCF 62a_100011217306_100000183829 [0,2,0,0,0,0|1,0,0]=3 1144 B16R2.30013 Oc1ccc2cccnc2c1SCCF 62a_100011217306_100010173343 [0,2,0,0,0,0|2,0,0]=4 1145 B16R2.30013 Oc1ccc2ccncc2c1SCCF 62a_100011217306_200010115057 [0,2,0,0,0,0|2,0,0]=4 1146 B14R2.21 Oc1cccc(c1)c2ccccc2 271570a_100000693801_100000210277 [0,0,1,1,0,0|1,0,1]=4 1147 B14R2.21 Oc1cccc(c1)c2ccccc2 271570a_100011218836_100000211634 [0,0,1,1,0,0|1,0,1]=4 1148 B14R2.21 Oc1cccc(c1)c2ccccc2 271570a_203496583355_100009813342 [0,0,1,1,0,0|1,0,1]=4 1149 B14R2.21 Oc1ccnc(c1)c2ccccc2 271570a_100011218836_100000762945 [0,0,1,1,0,0|0,0,2]=4 1150 B14R2.21 Oc1ccnc(c1)c2ccccc2 271570a_203496583355_100010243831 [0,0,1,1,0,0|0,0,2]=4 1151 B14R2.21 Oc1cncc(c1)c2ccccc2 271570a_100010248756_100000210277 [0,0,1,1,0,0|2,0,0]=4 1152 B14R2.21 Oc1cncc(c1)c2ccccc2 271570a_100011218836_100000754920 [0,0,1,1,0,0|2,0,0]=4 1153 B14R2.21 Oc1cncc(c1)c2ccccc2 271570a_203496583355_100010138719 [0,0,1,1,0,0|2,0,0]=4 1154 B14R2.21 Oc1cnnc(c1)c2ccccc2 271570a_100011218836_200010734679 [0,0,1,1,0,0|1,0,1]=4 1155 B14R2.101 C(=Cc1cc[nH]n1)c2ccccc2 271570a_100102527694_100000062575 [0,0,1,1,0,0|1,0,1]=4 1156 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,1,1,0,0|1,0,1]=4 1157 B14R2.101 C(=Cc1cn[nH]c1)c2ccccc2 271570a_100102527694_100000238712 [0,0,1,1,0,0|2,0,0]=4 1158 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,0,1,1,0,0|2,0,0]=4 1159 B14R2.98 C=Cc1ccccc1c2cc[nH]n2 271570a_100000037480_100000062575 [0,0,1,1,0,0|2,0,0]=4 1160 B14R2.98 C=Cc1ccccc1c2cc[nH]n2 271570a_100011290941_100011216357 [0,0,1,1,0,0|2,0,0]=4 1161 B14R2.98 C=Cc1ccccc1c2ccoc2 271570a_100000037480_100011215275 [0,0,1,1,0,0|1,0,1]=4 1162 B14R2.98 C=Cc1ccccc1c2cn[nH]c2 271570a_100000037480_100000238712 [0,0,1,1,0,0|1,0,1]=4 1163 B14R2.98 C=Cc1ccccc1c2cnoc2 271570a_100000037480_100009815712 [0,0,1,1,0,0|0,0,2]=4 1164 B14R2.98 C=Cc1ccccc1c2cocn2 271570a_100011290941_100010198669 [0,0,1,1,0,0|2,0,0]=4 1165 B14R2.98 O=Cc1ccccc1C2=COCC2 271570a_100000118173_100000211189 [0,0,1,1,0,0|2,0,0]=4 1166 B14R2.11689 C=Cc1cccc2c1c(c[nH]2)C=O 271570a_100011290941_100000693042 [0,0,1,1,0,0|0,0,2]=4 1167 B14R2.1128 C=Cc1cc2ccccc2cc1N 271570a_100011290941_100009991566 [0,0,1,1,0,0|1,0,1]=4 1168 B14R2.14 C=Cc1c[nH]nc1c2ccccc2 271570a_100011290941_100011471533 [0,0,1,1,0,0|2,0,0]=4 1169 B14R2.24 O=c1cc[nH]cc1c2ccccc2 271570a_100011218836_100009998708 [0,0,1,1,0,0|0,0,2]=4 1170 B14R2.24 Oc1ccccc1c2ccccc2 271570a_100000035170_100000210277 [0,0,1,1,0,0|1,0,1]=4 1171 B14R2.24 Oc1ccccc1c2ccccc2 271570a_100011218836_100000739446 [0,0,1,1,0,0|1,0,1]=4 1172 B14R2.24 Oc1ccccc1c2ccccc2 271570a_203496583355_100000033479 [0,0,1,1,0,0|1,0,1]=4 1173 B14R2.24 Oc1cccnc1c2ccccc2 271570a_100011218836_100000034122 [0,0,1,1,0,0|2,0,0]=4 1174 B14R2.24 Oc1cccnc1c2ccccc2 271570a_203496583355_100010138707 [0,0,1,1,0,0|2,0,0]=4 1175 B14R2.24 S=c1cc[nH]cc1c2ccccc2 271570a_100011218836_200012280681 [0,0,1,1,0,0|0,1,1]=4 1176 B14R2.1759 C=Cc1ccc(c2c1C(=O)CC2)O 271570a_100011290941_200010133748 [0,0,1,1,0,0|2,0,0]=4 1177 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [0,0,1,1,0,0|1,0,1]=4 1178 B16R3.411 Brc1ccc2ccccc2c1C3CC3 271570a_100011220607_100010090040 [0,1,0,1,0,0|2,0,0]=4 1179 B16R3.411 Cc1ccc2ccccc2c1C3CC3 271570a_100011220607_100000759710 [0,1,0,1,0,0|2,0,0]=4 1180 B16R3.411 Nc1ccc2ccccc2c1C3CC3 271570a_100011220607_100000705303 [0,1,0,1,0,0|2,0,0]=4 1181 B16R3.411 Oc1ccc2ccccc2c1C3CC3 271570a_100011220607_100000183829 [0,1,0,1,0,0|1,0,0]=3 1182 B16R3.411 Oc1ccc2cccnc2c1C3CC3 271570a_100011220607_100010173343 [0,1,0,1,0,0|2,0,0]=4 1183 B16R3.411 Oc1ccc2ccncc2c1C3CC3 271570a_100011220607_200010115057 [0,1,0,1,0,0|2,0,0]=4 1184 B16R3.13490 Oc1cc2onnc2c3c1cccc3 271570a_203496583355_100121572884 [0,1,0,1,0,0|1,0,1]=4 1185 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [1,0,0,0,1,0|1,0,0]=3 1186 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [1,0,0,0,1,0|2,0,0]=4 1187 B12R2.82 Cc1c(ccc2c1[nH]cc2)O 271570a_203496583355_100009816929 [1,0,0,0,1,0|1,0,0]=3 1188 B12R2.82 Cc1c(ccc2c1cc[nH]2)O 271570a_203496583355_100010731972 [1,0,0,0,1,0|1,0,0]=3 1189 B12R2.82 Cc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817094 [1,0,0,0,1,0|2,0,0]=4 1190 B12R2.82 Cc1c(ccc2c1nc[nH]2)O 271570a_203496583355_100010009745 [1,0,0,0,1,0|2,0,0]=4 1191 B12R2.82 Cc1c(ccc2n1ccn2)O 271570a_203496583355_100012569086 [1,0,0,0,1,0|2,0,0]=4 1192 B12R2.82 Cc1c(ccc2n1ncc2)O 271570a_203496583355_100010767214 [1,0,0,0,1,0|2,0,0]=4 1193 B12R2.82 Cc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010254266 [1,0,0,0,1,0|2,0,0]=4 1194 B12R2.82 Cc1c(ncc2c1[nH]cc2)O 271570a_203496583355_100010244392 [1,0,0,0,1,0|2,0,0]=4 1195 B12R2.82 Nc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100020965837 [1,0,0,0,1,0|2,0,0]=4 1196 B12R2.82 Nc1c(ccc2c1scn2)O 271570a_203496583355_100010998030 [1,0,0,0,1,0|2,0,0]=4 1197 B12R2.82 Nc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010168494 [1,0,0,0,1,0|2,0,0]=4 1198 B12R2.82 Oc1ccc2[nH]ccc2c1F 271570a_203496583355_100000700836 [1,0,0,0,1,0|2,0,0]=4