0 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,0,0,0|1,0,2]=3 1 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,0,0,0|1,0,2]=3 4 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,0,0,0|1,0,2]=3 7 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,0,0,0|1,0,2]=3 12 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [0,0,0,0,0,0|2,0,2]=4 13 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,0,0,0,0,0|1,0,3]=4 17 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,0,0,0,0,0|1,0,3]=4 18 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,0,0,0|1,0,2]=3 19 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [0,0,0,0,0,0|2,0,2]=4 20 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [0,0,0,0,0,0|2,0,2]=4 21 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,0,0,0,0,0|2,0,2]=4 22 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,0,0,0|1,0,2]=3 23 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,0,0,0|1,0,2]=3 24 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,0,0,0|0,0,2]=2 25 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,0,0,0|0,0,2]=2 26 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [0,0,0,0,0,0|2,0,2]=4 27 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [0,0,0,0,0,0|1,0,2]=3 28 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [0,0,0,0,0,0|1,0,2]=3 29 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [0,0,0,0,0,0|1,0,2]=3 30 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,0,0,0,0,0|2,0,2]=4 31 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [0,0,0,0,0,0|2,0,2]=4 32 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|1,0,2]=4 33 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|0,0,2]=3 34 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,1]=3 35 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|1,0,2]=4 36 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|1,0,2]=4 38 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|1,0,2]=4 40 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|1,0,2]=4 41 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|1,0,2]=4 43 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,1]=4 44 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|2,0,1]=4 45 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,0,0,0|0,0,2]=3 46 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,0,0,0|1,0,2]=4 47 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,0,0,0|1,0,2]=4 48 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,0,0,0|1,0,2]=4 49 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,0,0,0|1,0,2]=4 50 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,0,0,0|1,0,2]=4 51 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,0,0,0|1,0,2]=4 52 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,0,0,0|1,0,1]=3 53 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [1,0,0,0,0,0|2,0,1]=4 55 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [1,0,0,0,0,0|2,0,1]=4 56 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [1,0,0,0,0,0|2,0,1]=4 57 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [0,1,0,0,0,0|1,0,2]=4 58 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,1,0,0,0,0|1,0,2]=4 59 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,1,0,0,0,0|1,0,2]=4 60 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,1,0,0,0,0|1,0,2]=4 61 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,0,0,0|1,0,2]=4 62 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,0,0,0|1,0,2]=4 63 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,1,0,0,0,0|1,0,2]=4 64 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,1,0,0,0,0|1,0,2]=4 65 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,1,0,0,0,0|1,0,2]=4 66 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,1,0,0,0,0|1,0,2]=4 67 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,1,0,0,0,0|1,0,2]=4 68 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,1,0,0,0,0|1,0,2]=4 69 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,1,0,0,0,0|0,0,2]=3 70 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [0,1,0,0,0,0|1,0,2]=4 71 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,1,0,0,0,0|0,1,2]=4 72 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,0,0,0|1,0,2]=4 73 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,0,0,0|1,0,2]=4 74 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,0,0,0|0,0,3]=4 75 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,1,0,0,0,0|1,0,2]=4 76 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,1,0,0,0,0|1,0,2]=4 77 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,1,0,0,0,0|1,0,2]=4 78 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,1,0,0,0,0|1,0,2]=4 79 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,1,0,0,0,0|1,0,2]=4 80 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,1,0,0,0,0|1,0,2]=4 81 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,1,0,0,0,0|1,0,2]=4 82 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,1,0,0,0,0|1,0,2]=4 83 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,1,0,0,0,0|1,0,2]=4 84 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,1,0,0,0,0|0,1,2]=4 85 B14R2.203 C=Cc1c(ccc2c1cccc2)O 271570a_100011290941_100000183829 [0,1,0,0,0,0|1,0,2]=4 86 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,0,0,0|1,0,2]=4 87 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,0,0,0|1,0,2]=4 88 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,0,0,0|1,0,2]=4 89 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,0,0,0|1,0,2]=4 90 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,0,0,0|1,0,2]=4 91 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,0,0,0|1,0,2]=4 92 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,0,0,0|0,0,2]=3 93 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,1,0,0,0,0|1,0,2]=4 94 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,0,0,0|0,1,2]=4 95 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,0,0,0|1,0,2]=4 96 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,0,0,0|1,0,2]=4 97 B14R2.203 O=Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010090029 [0,1,0,0,0,0|0,0,3]=4 98 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,0,0,0|1,0,2]=4 99 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,0,0,0|1,0,2]=4 100 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,0,0,0|1,0,2]=4 101 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,0,0,0|1,0,2]=4 102 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,0,0,0|0,1,2]=4 103 B14R2.7724 Oc1cc(c2cccnc2c1O)Cl 271570a_203496583355_100000211503 [0,1,0,0,0,0|1,0,2]=4 104 B14R2.29369 Cc1ccc2c(c(ccc2n1)O)O 271570a_203496583355_100010269489 [0,1,0,0,0,0|1,0,2]=4 105 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [0,1,0,0,0,0|1,0,2]=4 106 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,0,1,0,0,0|2,0,1]=4 107 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,0,1,0,0,0|2,0,1]=4 108 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,0,1,0,0,0|2,0,1]=4 109 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,0,1,0,0,0|2,0,1]=4 110 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,0,1,0,0,0|2,0,1]=4 111 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,0,1,0,0,0|2,0,1]=4 115 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,0,1,0,0,0|2,0,1]=4 116 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,0,1,0,0,0|2,0,1]=4 118 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,0,1,0,0,0|2,0,1]=4 119 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,0,1,0,0,0|2,0,1]=4 120 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,0,1,0,0,0|2,0,1]=4 121 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,0,1,0,0,0|2,0,1]=4 122 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,0,1,0,0,0|2,0,1]=4 123 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,0,1,0,0,0|2,0,1]=4 124 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,0,1,0,0,0|2,0,1]=4 125 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,0,1,0,0,0|2,0,1]=4 126 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,1,0,0,0|1,0,2]=4 128 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,0,1,0,0,0|1,0,1]=3 129 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,0,1,0,0,0|1,0,1]=3 130 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,0,1,0,0,0|1,0,1]=3 131 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,0,1,0,0,0|2,0,1]=4 132 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,0,1,0,0,0|2,0,1]=4 133 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,0,1,0,0,0|1,0,1]=3 135 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,0,1,0,0,0|1,0,1]=3 136 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,0,1,0,0,0|2,0,1]=4 137 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,0,1,0,0,0|2,0,1]=4 138 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,0,1,0,0,0|2,0,1]=4 140 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [0,0,1,0,0,0|2,0,1]=4 141 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [0,0,1,0,0,0|2,0,1]=4 142 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,0,1,0,0,0|1,0,1]=3 143 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,0,1,0,0,0|1,0,1]=3 144 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,0,1,0,0,0|1,0,1]=3 145 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,0,1,0,0,0|2,0,1]=4 146 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,0,1,0,0,0|2,0,1]=4 147 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,0,1,0,0,0|2,0,1]=4 148 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,0,1,0,0,0|1,0,1]=3 149 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,0,1,0,0,0|1,0,1]=3 150 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,0,1,0,0,0|2,0,1]=4 151 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,0,1,0,0,0|2,0,1]=4 152 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,0,1,0,0,0|2,0,1]=4 153 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,0,1,0,0,0|2,0,1]=4 154 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [0,0,1,0,0,0|2,0,1]=4 155 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [0,0,1,0,0,0|2,0,1]=4 156 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,0,1,0,0,0|2,0,1]=4 157 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,0,1,0,0,0|2,0,1]=4 158 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,0,1,0,0,0|2,0,1]=4 159 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,0,1,0,0,0|2,0,1]=4 160 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,0,1,0,0,0|2,0,1]=4 161 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,0,1,0,0,0|1,0,2]=4 162 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,0,1,0,0,0|1,0,2]=4 164 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,0,1,0,0,0|1,0,2]=4 165 B12R1.77 C=Cc1ccccc1C(C)C#N 271570a_100011290941_200010232107 [0,0,1,0,0,0|2,0,1]=4 166 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [0,0,1,0,0,0|1,0,0]=2 168 B12R1.77 C=Cc1ccccc1[C@H](N)CO 271570a_100011290941_100161155918 [0,0,1,0,0,0|1,0,0]=2 169 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,0,1,0,0,0|2,0,1]=4 170 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,0,1,0,0,0|2,0,1]=4 171 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_100161155918_200000210301 [0,0,1,0,0,0|2,0,1]=4 172 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_200000210301_100161155918 [0,0,1,0,0,0|2,0,1]=4 173 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,0,1,0,0,0|2,0,1]=4 174 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,0,1,0,0,0|2,0,1]=4 175 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_100161155918_200025704644 [0,0,1,0,0,0|2,0,1]=4 176 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_200025704644_100161155918 [0,0,1,0,0,0|2,0,1]=4 177 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,0,1,0,0,0|1,0,2]=4 178 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [0,0,1,0,0,0|2,0,1]=4 179 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,0,1,0,0,0|2,0,1]=4 180 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [0,0,1,0,0,0|2,0,1]=4 181 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [0,0,1,0,0,0|2,0,1]=4 182 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [0,0,1,0,0,0|2,0,1]=4 183 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,0,1,0,0,0|2,0,1]=4 184 B12R1.121 CCSCc1ccccc1CO 62a_100000210202_100009816955 [0,0,1,0,0,0|2,0,1]=4 185 B12R1.121 CCSCc1ccccc1CO 62a_100009816955_100000210202 [0,0,1,0,0,0|2,0,1]=4 186 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [0,0,1,0,0,0|2,0,1]=4 187 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [0,0,1,0,0,0|2,0,1]=4 188 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [0,0,1,0,0,0|2,0,1]=4 189 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,0,1,0,0,0|2,0,1]=4 190 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,0,1,0,0,0|2,0,1]=4 191 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,0,1,0,0,0|2,0,1]=4 192 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,0,1,0,0,0|2,0,1]=4 193 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,0,1,0,0,0|2,0,1]=4 194 B12R1.121 NCc1ccccc1SCCO 62a_100000211926_100000689332 [0,0,1,0,0,0|2,0,1]=4 195 B12R1.121 NCc1ccccc1SCCO 62a_100000689332_100000211926 [0,0,1,0,0,0|2,0,1]=4 196 B12R1.121 OCCNc1ccccc1CO 34a_100000212039_100000211926 [0,0,1,0,0,0|1,0,1]=3 197 B12R1.121 OCCNc1ccncc1CO 27a_100000210304_100000117392 [0,0,1,0,0,0|2,0,1]=4 198 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,0,1,0,0,0|1,0,1]=3 199 B12R1.121 OCCOc1cccnc1CO 34a_100000731849_100000211926 [0,0,1,0,0,0|2,0,1]=4 200 B12R1.121 OCCOc1cnccc1CO 34a_100000078615_100000211926 [0,0,1,0,0,0|2,0,1]=4 201 B12R1.121 OCCSc1ccccc1CO 62a_100000187465_100000211926 [0,0,1,0,0,0|1,0,1]=3 202 B12R1.121 OCCSc1ccccc1CO 62a_100000211926_100000187465 [0,0,1,0,0,0|1,0,1]=3 203 B12R1.121 OCCSc1cccnc1CO 62a_100000211926_100011996772 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.121 OCCSc1cccnc1CO 62a_100011996772_100000211926 [0,0,1,0,0,0|2,0,1]=4 205 B12R1.121 OCCSc1ccncc1CO 62a_100000117392_100000211926 [0,0,1,0,0,0|2,0,1]=4 206 B12R1.121 OCCSc1ccncc1CO 62a_100000211926_100000117392 [0,0,1,0,0,0|2,0,1]=4 207 B12R1.121 OCCSc1cnccc1CO 62a_100000211926_100009873359 [0,0,1,0,0,0|2,0,1]=4 208 B12R1.121 OCCSc1cnccc1CO 62a_100009873359_100000211926 [0,0,1,0,0,0|2,0,1]=4 209 B12R1.121 OCCSc1ncccc1CO 62a_100000211926_100000748726 [0,0,1,0,0,0|2,0,1]=4 210 B12R1.121 OCCSc1ncccc1CO 62a_100000748726_100000211926 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.121 OCc1ccccc1CSCF 62a_100009816955_100015361967 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.121 OCc1ccccc1CSCF 62a_100015361967_100009816955 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.121 OCc1ccccc1NCCF 34a_100000212039_100011217306 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,0,1,0,0,0|2,0,1]=4 215 B12R1.121 OCc1ccccc1SCCF 62a_100000187465_100011217306 [0,0,1,0,0,0|2,0,1]=4 216 B12R1.121 OCc1ccccc1SCCF 62a_100011217306_100000187465 [0,0,1,0,0,0|2,0,1]=4 217 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,0,1,0,0,0|1,0,1]=4 218 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,0,1,0,0,0|1,0,1]=4 219 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,0,1,0,0,0|1,0,1]=4 220 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,0,1,0,0,0|1,0,1]=4 221 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,0,1,0,0,0|1,0,1]=4 222 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,0,1,0,0,0|0,0,2]=4 223 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,0,1,0,0,0|0,0,2]=4 224 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,0,1,0,0,0|1,0,1]=4 225 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,0,1,0,0,0|1,0,1]=4 226 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,0,1,0,0,0|1,0,1]=4 227 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,0,1,0,0,0|1,0,1]=4 228 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,0,1,0,0,0|1,0,1]=4 229 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,1,0,0,0|1,0,0]=3 230 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,0,1,0,0,0|2,0,0]=4 235 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,0,1,0,0,0|2,0,0]=4 236 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,1,0,0,0|2,0,0]=4 242 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,1,0,0,0|2,0,0]=4 243 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,0,1,0,0,0|2,0,0]=4 244 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,0,1,0,0,0|2,0,0]=4 245 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,1,0,0,0|1,0,1]=4 246 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,1,0,0,0|1,0,1]=4 247 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,1,0,0,0|1,0,1]=4 248 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,1,0,0,0|1,0,1]=4 249 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,1,0,0,0|1,0,1]=4 250 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,1,0,0,0|1,0,1]=4 251 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,1,0,0,0|1,0,1]=4 252 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,1,0,0,0|1,0,1]=4 253 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,1,0,0,0|1,0,1]=4 254 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,1,0,0,0|1,0,1]=4 255 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,1,0,0,0|1,0,1]=4 256 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,1,0,0,0|1,0,1]=4 257 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,1,0,0,0|1,0,1]=4 258 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,1,0,0,0|1,0,1]=4 259 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,1,0,0,0|1,0,1]=4 260 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,0,1,0,0,0|2,0,0]=4 261 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,0,1,0,0,0|2,0,0]=4 262 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|0,0,2]=4 266 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,1,0,0,0|1,0,0]=3 267 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [1,0,1,0,0,0|2,0,0]=4 268 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [1,0,1,0,0,0|2,0,0]=4 270 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|0,0,0]=2 271 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,0,1,0,0,0|1,0,0]=3 272 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [1,0,1,0,0,0|1,0,0]=3 273 B11R1.91 CC(O)C=Cc1cccnn1 271570a_200011019289_100016991348 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [1,0,1,0,0,0|1,0,0]=3 275 B11R1.91 CC(O)C=Cc1ccncn1 271570a_200011019289_100000703185 [1,0,1,0,0,0|2,0,0]=4 276 B11R1.91 CC(O)C=Cc1ccnnc1 271570a_200011019289_100000732662 [1,0,1,0,0,0|2,0,0]=4 277 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [1,0,1,0,0,0|2,0,0]=4 278 B11R1.91 CC(O)C=Cc1cncnc1 271570a_200011019289_100011206942 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.91 CC(O)C=Cc1ncccn1 271570a_200011019289_100000211032 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,0,1,0,0,0|1,0,1]=4 281 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,0,1,0,0,0|1,0,1]=4 282 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,0,1,0,0,0|1,0,1]=4 283 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,0,1,0,0,0|1,0,1]=4 284 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,0,1,0,0,0|1,0,1]=4 285 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,0,1,0,0,0|1,0,1]=4 286 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,0,1,0,0,0|1,0,1]=4 287 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,0,1,0,0,0|1,0,1]=4 288 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,0,1,0,0,0|1,0,1]=4 289 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,0,1,0,0,0|1,0,1]=4 290 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|0,0,2]=4 291 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,0,1,0,0,0|0,0,2]=4 292 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [1,0,1,0,0,0|2,0,0]=4 293 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [1,0,1,0,0,0|2,0,0]=4 294 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [1,0,1,0,0,0|2,0,0]=4 295 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [1,0,1,0,0,0|2,0,0]=4 296 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [1,0,1,0,0,0|2,0,0]=4 297 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [1,0,1,0,0,0|2,0,0]=4 298 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [1,0,1,0,0,0|2,0,0]=4 300 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [1,0,1,0,0,0|2,0,0]=4 301 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,0,1,0,0,0|1,0,1]=4 302 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,0,1,0,0,0|1,0,1]=4 303 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,0,1,0,0,0|1,0,1]=4 304 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,0,1,0,0,0|1,0,1]=4 305 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,0,1,0,0,0|1,0,1]=4 306 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,0,1,0,0,0|1,0,1]=4 307 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,0,1,0,0,0|1,0,1]=4 308 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,0,1,0,0,0|1,0,1]=4 309 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,0,1,0,0,0|1,0,1]=4 310 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,0,1,0,0,0|1,0,1]=4 311 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,0,1,0,0,0|1,0,1]=4 312 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,0,1,0,0,0|1,0,1]=4 313 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,0,1,0,0,0|1,0,1]=4 314 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,0,1,0,0,0|1,0,1]=4 315 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,0,1,0,0,0|1,0,1]=4 316 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,0,1,0,0,0|1,0,1]=4 317 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,0,1,0,0,0|1,0,1]=4 318 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,0,1,0,0,0|1,0,1]=4 319 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|0,0,2]=4 320 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,1,0,0,0|2,0,0]=4 321 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,0,1,0,0,0|2,0,0]=4 322 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,0,1,0,0,0|2,0,0]=4 323 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,0,1,0,0,0|2,0,0]=4 324 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,0,1,0,0,0|2,0,0]=4 325 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [1,0,1,0,0,0|0,0,2]=4 326 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|1,0,1]=4 327 B11R1.41 C=Cc1ccccc1CC#N 271570a_100011290941_100000033512 [1,0,1,0,0,0|1,0,1]=4 328 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [1,0,1,0,0,0|1,0,0]=3 329 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [1,0,1,0,0,0|0,0,0]=2 330 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [1,0,1,0,0,0|2,0,0]=4 331 B11R1.41 C=Cc1ccccc1CNN 271570a_100011290941_200016993956 [1,0,1,0,0,0|2,0,0]=4 332 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [1,0,1,0,0,0|2,0,0]=4 333 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [1,0,1,0,0,0|2,0,0]=4 334 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [1,0,1,0,0,0|2,0,0]=4 335 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [1,0,1,0,0,0|2,0,0]=4 336 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [1,0,1,0,0,0|2,0,0]=4 337 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [1,0,1,0,0,0|2,0,0]=4 338 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [1,0,1,0,0,0|2,0,0]=4 339 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [1,0,1,0,0,0|2,0,0]=4 340 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [1,0,1,0,0,0|2,0,0]=4 341 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,0,1,0,0,0|2,0,0]=4 342 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [1,0,1,0,0,0|2,0,0]=4 343 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [1,0,1,0,0,0|2,0,0]=4 344 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [1,0,1,0,0,0|2,0,0]=4 345 B11R1.41 C=Cc1ccccc1SCF 62a_100011218376_100015361967 [1,0,1,0,0,0|2,0,0]=4 346 B11R1.41 C=Cc1ccccc1SCF 62a_100015361967_100011218376 [1,0,1,0,0,0|2,0,0]=4 347 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [1,0,1,0,0,0|1,0,1]=4 348 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|0,0,2]=4 349 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [1,0,1,0,0,0|1,0,0]=3 350 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [1,0,1,0,0,0|1,0,0]=3 351 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [1,0,1,0,0,0|0,0,0]=2 352 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [1,0,1,0,0,0|2,0,0]=4 353 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,0,1,0,0,0|2,0,0]=4 354 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,0,1,0,0,0|2,0,0]=4 355 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [1,0,1,0,0,0|2,0,0]=4 356 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,0,1,0,0,0|2,0,0]=4 357 B11R1.41 CC=Cc1cccnc1CN 271570a_100016259895_100020591323 [1,0,1,0,0,0|2,0,0]=4 358 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [1,0,1,0,0,0|1,0,0]=3 359 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [1,0,1,0,0,0|2,0,0]=4 360 B11R1.41 CC=Cc1ccncc1CO 271570a_100016259895_100000117392 [1,0,1,0,0,0|1,0,0]=3 361 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [1,0,1,0,0,0|2,0,0]=4 362 B11R1.41 CC=Cc1cnccc1CN 271570a_100016259895_100020640021 [1,0,1,0,0,0|2,0,0]=4 363 B11R1.41 CC=Cc1cnccc1CO 271570a_100016259895_100009873359 [1,0,1,0,0,0|1,0,0]=3 364 B11R1.41 CC=Cc1ncccc1CN 271570a_100016259895_100015189234 [1,0,1,0,0,0|2,0,0]=4 365 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [1,0,1,0,0,0|1,0,0]=3 366 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [1,0,1,0,0,0|2,0,0]=4 367 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [1,0,1,0,0,0|1,0,1]=4 368 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [1,0,1,0,0,0|1,0,1]=4 369 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [1,0,1,0,0,0|1,0,1]=4 370 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [1,0,1,0,0,0|1,0,1]=4 371 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [1,0,1,0,0,0|1,0,1]=4 372 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [1,0,1,0,0,0|1,0,1]=4 373 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [1,0,1,0,0,0|1,0,1]=4 374 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [1,0,1,0,0,0|1,0,1]=4 375 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [1,0,1,0,0,0|1,0,1]=4 376 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [1,0,1,0,0,0|1,0,1]=4 377 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,0,1,0,0,0|1,0,1]=4 378 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,0,1,0,0,0|1,0,1]=4 379 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [1,0,1,0,0,0|1,0,1]=4 380 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [1,0,1,0,0,0|1,0,1]=4 381 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [1,0,1,0,0,0|1,0,1]=4 382 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [1,0,1,0,0,0|1,0,1]=4 383 B11R1.41 OCc1ccccc1NCF 34a_100000212039_100015361967 [1,0,1,0,0,0|2,0,0]=4 384 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [1,0,1,0,0,0|2,0,0]=4 385 B11R1.41 OCc1ccccc1SCF 62a_100000187465_100015361967 [1,0,1,0,0,0|2,0,0]=4 386 B11R1.41 OCc1ccccc1SCF 62a_100015361967_100000187465 [1,0,1,0,0,0|2,0,0]=4 387 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [1,0,1,0,0,0|1,0,1]=4 388 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [1,0,1,0,0,0|1,0,1]=4 389 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,0,1,0,0,0|1,0,1]=4 390 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,0,1,0,0,0|1,0,1]=4 391 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [1,0,1,0,0,0|1,0,1]=4 392 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [1,0,1,0,0,0|1,0,1]=4 393 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [1,0,1,0,0,0|1,0,1]=4 394 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [1,0,1,0,0,0|1,0,1]=4 395 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [1,0,1,0,0,0|1,0,0]=3 396 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,1,0,0,0|0,0,2]=4 397 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,1,0,0,0|0,0,2]=4 398 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,1,0,0,0|0,0,2]=4 399 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [1,0,1,0,0,0|1,0,0]=3 400 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [1,0,1,0,0,0|1,0,0]=3 401 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [1,0,1,0,0,0|0,0,0]=2 402 B11R1.53 C=Cc1ccccc1C(F)F 271570a_100011290941_100010169824 [1,0,1,0,0,0|2,0,0]=4 403 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [1,0,1,0,0,0|2,0,0]=4 404 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [1,0,1,0,0,0|1,0,1]=4 405 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [1,0,1,0,0,0|2,0,0]=4 406 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [1,0,1,0,0,0|1,0,0]=3 407 B11R1.53 C=Cc1cnccc1B(O)O 271570a_100011290941_200010176179 [1,0,1,0,0,0|2,0,0]=4 408 B11R1.53 C=Cc1ncccc1B(O)O 271570a_100011290941_100009815992 [1,0,1,0,0,0|2,0,0]=4 409 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [1,0,1,0,0,0|2,0,0]=4 410 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [1,0,1,0,0,0|1,0,0]=3 411 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [1,0,1,0,0,0|1,0,1]=4 412 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,0,1,0,0,0|1,0,1]=4 413 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,0,1,0,0,0|1,0,1]=4 414 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [1,0,1,0,0,0|1,0,1]=4 415 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [1,0,1,0,0,0|1,0,1]=4 416 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [1,0,1,0,0,0|1,0,1]=4 417 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,0,1,0,0,0|1,0,1]=4 418 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,0,1,0,0,0|1,0,1]=4 419 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [1,0,1,0,0,0|1,0,1]=4 420 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [1,0,1,0,0,0|1,0,1]=4 421 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,0,1,0,0,0|2,0,0]=4 422 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,0,1,0,0,0|2,0,0]=4 423 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,1,1,0,0,0|1,0,1]=4 424 B13R1.11 CN(CC(O)CO)c1ccccc1 2230a_100000210012_100011219619 [0,1,1,0,0,0|1,0,1]=4 425 B13R1.11 CN(CC(O)CO)c1ccccc1 34a_100000210012_100011219619 [0,1,1,0,0,0|1,0,1]=4 426 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 2230a_100000210012_100009815848 [0,1,1,0,0,0|1,0,1]=4 427 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 34a_100000210012_100009815848 [0,1,1,0,0,0|1,0,1]=4 428 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,1,0,0,0|1,0,1]=4 429 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.14 Cc1ccc(cc1)NCC(O)CO 34a_100000124888_100011219619 [0,1,1,0,0,0|1,0,1]=4 432 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000124888_100009815848 [0,1,1,0,0,0|1,0,1]=4 433 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,1,1,0,0,0|1,0,1]=4 434 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,1,1,0,0,0|1,0,1]=4 435 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,1,1,0,0,0|1,0,1]=4 436 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,1,1,0,0,0|1,0,1]=4 437 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100000186775_100011219619 [0,1,1,0,0,0|1,0,1]=4 438 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000186775 [0,1,1,0,0,0|1,0,1]=4 439 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000186775_100009815848 [0,1,1,0,0,0|1,0,1]=4 440 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000186775 [0,1,1,0,0,0|1,0,1]=4 441 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,1,1,0,0,0|1,0,1]=4 442 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,1,1,0,0,0|1,0,1]=4 443 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100000185761_100011219619 [0,1,1,0,0,0|1,0,1]=4 444 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000185761 [0,1,1,0,0,0|1,0,1]=4 445 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100000185761_100009815848 [0,1,1,0,0,0|1,0,1]=4 446 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185761 [0,1,1,0,0,0|1,0,1]=4 447 B13R1.14 OCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011219619 [0,1,1,0,0,0|1,0,1]=4 448 B13R1.14 OCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011219619 [0,1,1,0,0,0|1,0,1]=4 449 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011219619 [0,1,1,0,0,0|1,0,1]=4 450 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011219619 [0,1,1,0,0,0|1,0,1]=4 451 B13R1.14 OCC(O)CNc1ccc(cc1)F 34a_100000185862_100011219619 [0,1,1,0,0,0|1,0,1]=4 452 B13R1.14 OCC(O)CNc1ccc(cc1)I 34a_100000185761_100011219619 [0,1,1,0,0,0|1,0,1]=4 453 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,1,1,0,0,0|1,0,1]=4 454 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,1,1,0,0,0|1,0,1]=4 455 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,1,1,0,0,0|1,0,1]=4 456 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,1,1,0,0,0|1,0,1]=4 457 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,1,1,0,0,0|1,0,1]=4 458 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,1,1,0,0,0|1,0,1]=4 459 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,1,1,0,0,0|1,0,1]=4 460 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,1,1,0,0,0|1,0,1]=4 461 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011219619 [0,1,1,0,0,0|1,0,1]=4 462 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100011219619_100000752885 [0,1,1,0,0,0|1,0,1]=4 463 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011219619 [0,1,1,0,0,0|1,0,1]=4 464 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100011219619_100000755918 [0,1,1,0,0,0|1,0,1]=4 465 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100000211213_100011219619 [0,1,1,0,0,0|1,0,1]=4 466 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100011219619_100000211213 [0,1,1,0,0,0|1,0,1]=4 467 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,1,1,0,0,0|1,0,1]=4 468 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009815848 [0,1,1,0,0,0|1,0,1]=4 469 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009815848 [0,1,1,0,0,0|1,0,1]=4 470 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009815848 [0,1,1,0,0,0|1,0,1]=4 471 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009815848 [0,1,1,0,0,0|1,0,1]=4 472 B13R1.14 OC[C@H](O)CNc1ccc(cc1)F 34a_100000185862_100009815848 [0,1,1,0,0,0|1,0,1]=4 473 B13R1.14 OC[C@H](O)CNc1ccc(cc1)I 34a_100000185761_100009815848 [0,1,1,0,0,0|1,0,1]=4 474 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,1,1,0,0,0|1,0,1]=4 475 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,1,1,0,0,0|1,0,1]=4 476 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,1,1,0,0,0|1,0,1]=4 477 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,1,1,0,0,0|1,0,1]=4 478 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,1,1,0,0,0|1,0,1]=4 479 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,1,1,0,0,0|1,0,1]=4 480 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,1,1,0,0,0|1,0,1]=4 481 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,1,1,0,0,0|1,0,1]=4 482 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009815848 [0,1,1,0,0,0|1,0,1]=4 483 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100009815848_100000752885 [0,1,1,0,0,0|1,0,1]=4 484 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009815848 [0,1,1,0,0,0|1,0,1]=4 485 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100009815848_100000755918 [0,1,1,0,0,0|1,0,1]=4 486 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100009815848 [0,1,1,0,0,0|1,0,1]=4 487 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100009815848_100000211213 [0,1,1,0,0,0|1,0,1]=4 488 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,1,1,0,0,0|1,0,1]=4 489 B13R1.15 Cc1cccc(c1)NCC(O)CO 2230a_100000188690_100011219619 [0,1,1,0,0,0|1,0,1]=4 490 B13R1.15 Cc1cccc(c1)NCC(O)CO 34a_100000188690_100011219619 [0,1,1,0,0,0|1,0,1]=4 491 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 2230a_100000188690_100009815848 [0,1,1,0,0,0|1,0,1]=4 492 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 34a_100000188690_100009815848 [0,1,1,0,0,0|1,0,1]=4 493 B13R1.15 Cc1cccc(c1)OCC(O)CO 34a_100000210337_100011219619 [0,1,1,0,0,0|1,0,1]=4 494 B13R1.15 Cc1cccc(c1)OCC(O)CO 7a_100000210337_100011219619 [0,1,1,0,0,0|1,0,1]=4 495 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 34a_100000210337_100009815848 [0,1,1,0,0,0|1,0,1]=4 496 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 7a_100000210337_100009815848 [0,1,1,0,0,0|1,0,1]=4 497 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011215228_100011219619 [0,1,1,0,0,0|1,0,1]=4 498 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011219619_100011215228 [0,1,1,0,0,0|1,0,1]=4 499 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100011215228 [0,1,1,0,0,0|1,0,1]=4 500 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100011215228_100009815848 [0,1,1,0,0,0|1,0,1]=4 501 B13R1.15 Nc1cccc(c1)OCC(O)CO 34a_100000210217_100011219619 [0,1,1,0,0,0|1,0,1]=4 502 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CO 34a_100000210217_100009815848 [0,1,1,0,0,0|1,0,1]=4 503 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100000210019_100011219619 [0,1,1,0,0,0|1,0,1]=4 504 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100011219619_100000210019 [0,1,1,0,0,0|1,0,1]=4 505 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100000210019_100009815848 [0,1,1,0,0,0|1,0,1]=4 506 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100000210019 [0,1,1,0,0,0|1,0,1]=4 507 B13R1.15 OCC(O)CNc1cccc(c1)Br 34a_100000210019_100011219619 [0,1,1,0,0,0|1,0,1]=4 508 B13R1.15 OCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011219619 [0,1,1,0,0,0|1,0,1]=4 509 B13R1.15 OCC(O)CNc1cccc(c1)F 34a_100000210047_100011219619 [0,1,1,0,0,0|1,0,1]=4 510 B13R1.15 OCC(O)CNc1cccc(c1)I 34a_100000211102_100011219619 [0,1,1,0,0,0|1,0,1]=4 511 B13R1.15 OCC(O)CNc1cccc(c1)O 34a_100000210217_100011219619 [0,1,1,0,0,0|1,0,1]=4 512 B13R1.15 OCC(O)COc1cccc(c1)Br 34a_100000210342_100011219619 [0,1,1,0,0,0|1,0,1]=4 513 B13R1.15 OCC(O)COc1cccc(c1)Br 7a_100000210342_100011219619 [0,1,1,0,0,0|1,0,1]=4 514 B13R1.15 OCC(O)COc1cccc(c1)Cl 34a_100000210295_100011219619 [0,1,1,0,0,0|1,0,1]=4 515 B13R1.15 OCC(O)COc1cccc(c1)Cl 7a_100000210295_100011219619 [0,1,1,0,0,0|1,0,1]=4 516 B13R1.15 OCC(O)COc1cccc(c1)F 34a_100000210426_100011219619 [0,1,1,0,0,0|1,0,1]=4 517 B13R1.15 OCC(O)COc1cccc(c1)F 7a_100000210426_100011219619 [0,1,1,0,0,0|1,0,1]=4 518 B13R1.15 OCC(O)COc1cccc(c1)I 34a_100000211634_100011219619 [0,1,1,0,0,0|1,0,1]=4 519 B13R1.15 OCC(O)COc1cccc(c1)I 7a_100000211634_100011219619 [0,1,1,0,0,0|1,0,1]=4 520 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100000691529_100011219619 [0,1,1,0,0,0|1,0,1]=4 521 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100011219619_100000691529 [0,1,1,0,0,0|1,0,1]=4 522 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011219619 [0,1,1,0,0,0|1,0,1]=4 523 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100011219619_100000699651 [0,1,1,0,0,0|1,0,1]=4 524 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100000685547_100011219619 [0,1,1,0,0,0|1,0,1]=4 525 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100011219619_100000685547 [0,1,1,0,0,0|1,0,1]=4 526 B13R1.15 OCC(O)CSc1cccc(c1)O 62a_100011219619_100000211634 [0,1,1,0,0,0|1,0,1]=4 527 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_100011219619_114929384022 [0,1,1,0,0,0|1,0,1]=4 528 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011219619 [0,1,1,0,0,0|1,0,1]=4 529 B13R1.15 OC[C@H](O)CNc1cccc(c1)Br 34a_100000210019_100009815848 [0,1,1,0,0,0|1,0,1]=4 530 B13R1.15 OC[C@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009815848 [0,1,1,0,0,0|1,0,1]=4 531 B13R1.15 OC[C@H](O)CNc1cccc(c1)F 34a_100000210047_100009815848 [0,1,1,0,0,0|1,0,1]=4 532 B13R1.15 OC[C@H](O)CNc1cccc(c1)I 34a_100000211102_100009815848 [0,1,1,0,0,0|1,0,1]=4 533 B13R1.15 OC[C@H](O)CNc1cccc(c1)O 34a_100000210217_100009815848 [0,1,1,0,0,0|1,0,1]=4 534 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 34a_100000210342_100009815848 [0,1,1,0,0,0|1,0,1]=4 535 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 7a_100000210342_100009815848 [0,1,1,0,0,0|1,0,1]=4 536 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 34a_100000210295_100009815848 [0,1,1,0,0,0|1,0,1]=4 537 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 7a_100000210295_100009815848 [0,1,1,0,0,0|1,0,1]=4 538 B13R1.15 OC[C@H](O)COc1cccc(c1)F 34a_100000210426_100009815848 [0,1,1,0,0,0|1,0,1]=4 539 B13R1.15 OC[C@H](O)COc1cccc(c1)F 7a_100000210426_100009815848 [0,1,1,0,0,0|1,0,1]=4 540 B13R1.15 OC[C@H](O)COc1cccc(c1)I 34a_100000211634_100009815848 [0,1,1,0,0,0|1,0,1]=4 541 B13R1.15 OC[C@H](O)COc1cccc(c1)I 7a_100000211634_100009815848 [0,1,1,0,0,0|1,0,1]=4 542 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100000691529_100009815848 [0,1,1,0,0,0|1,0,1]=4 543 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100009815848_100000691529 [0,1,1,0,0,0|1,0,1]=4 544 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009815848 [0,1,1,0,0,0|1,0,1]=4 545 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100009815848_100000699651 [0,1,1,0,0,0|1,0,1]=4 546 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100000685547_100009815848 [0,1,1,0,0,0|1,0,1]=4 547 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100009815848_100000685547 [0,1,1,0,0,0|1,0,1]=4 548 B13R1.15 OC[C@H](O)CSc1cccc(c1)O 62a_100009815848_100000211634 [0,1,1,0,0,0|1,0,1]=4 549 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_100009815848_114929384022 [0,1,1,0,0,0|1,0,1]=4 550 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009815848 [0,1,1,0,0,0|1,0,1]=4 551 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,1,1,0,0,0|1,0,1]=4 552 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,1,1,0,0,0|1,0,1]=4 553 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,1,1,0,0,0|1,0,1]=4 554 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,1,1,0,0,0|1,0,1]=4 555 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,1,1,0,0,0|1,0,1]=4 556 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,1,1,0,0,0|0,0,2]=4 557 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,1,1,0,0,0|1,0,1]=4 558 B13R1.135 CCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011196387 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,1,1,0,0,0|0,0,1]=3 560 B13R1.135 O=C(Cc1ccccn1)C(O)CO 1458a_100011215603_100000721315 [0,1,1,0,0,0|1,0,1]=4 561 B13R1.135 O=C(Cc1cccnc1)C(O)CO 1458a_100011215603_100000733263 [0,1,1,0,0,0|1,0,1]=4 562 B13R1.135 O=C(Cc1ccncc1)C(O)CO 1458a_100011215603_100000705612 [0,1,1,0,0,0|1,0,1]=4 563 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,1,1,0,0,0|1,0,0]=3 564 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,1,1,0,0,0|1,0,1]=4 565 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,1,1,0,0,0|1,0,1]=4 566 B13R1.528 Cc1ccccc1NCC(O)CO 34a_100015192222_100011219619 [0,1,1,0,0,0|1,0,1]=4 567 B13R1.528 Cc1ccccc1NC[C@@H](O)CO 34a_100015192222_100009815848 [0,1,1,0,0,0|1,0,1]=4 568 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [0,1,1,0,0,0|1,0,1]=4 569 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [0,1,1,0,0,0|1,0,1]=4 570 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [0,1,1,0,0,0|1,0,1]=4 571 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [0,1,1,0,0,0|1,0,1]=4 572 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100000210755_100011219619 [0,1,1,0,0,0|1,0,1]=4 573 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100011219619_100000210755 [0,1,1,0,0,0|1,0,1]=4 574 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100000210755_100009815848 [0,1,1,0,0,0|1,0,1]=4 575 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210755 [0,1,1,0,0,0|1,0,1]=4 576 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [0,1,1,0,0,0|1,0,1]=4 577 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [0,1,1,0,0,0|1,0,1]=4 578 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [0,1,1,0,0,0|1,0,1]=4 579 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [0,1,1,0,0,0|1,0,1]=4 580 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100000210017_100011219619 [0,1,1,0,0,0|1,0,1]=4 581 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100011219619_100000210017 [0,1,1,0,0,0|1,0,1]=4 582 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100000210017_100009815848 [0,1,1,0,0,0|1,0,1]=4 583 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210017 [0,1,1,0,0,0|1,0,1]=4 584 B13R1.528 OCC(O)CNc1ccccc1Br 34a_100000210017_100011219619 [0,1,1,0,0,0|1,0,1]=4 585 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [0,1,1,0,0,0|1,0,1]=4 586 B13R1.528 OCC(O)CNc1ccccc1F 34a_100000210422_100011219619 [0,1,1,0,0,0|1,0,1]=4 587 B13R1.528 OCC(O)CNc1ccccc1I 34a_100000210053_100011219619 [0,1,1,0,0,0|1,0,1]=4 588 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [0,1,1,0,0,0|1,0,1]=4 589 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [0,1,1,0,0,0|1,0,1]=4 590 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [0,1,1,0,0,0|1,0,1]=4 591 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [0,1,1,0,0,0|1,0,1]=4 592 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [0,1,1,0,0,0|1,0,1]=4 593 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [0,1,1,0,0,0|1,0,1]=4 594 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [0,1,1,0,0,0|1,0,1]=4 595 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [0,1,1,0,0,0|1,0,1]=4 596 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [0,1,1,0,0,0|1,0,1]=4 597 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100000695589_100011219619 [0,1,1,0,0,0|1,0,1]=4 598 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100011219619_100000695589 [0,1,1,0,0,0|1,0,1]=4 599 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [0,1,1,0,0,0|1,0,1]=4 600 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [0,1,1,0,0,0|1,0,1]=4 601 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011215700_100011219619 [0,1,1,0,0,0|1,0,1]=4 602 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011219619_100011215700 [0,1,1,0,0,0|1,0,1]=4 603 B13R1.528 OCC(O)CSc1ccccc1O 62a_100000739446_100011219619 [0,1,1,0,0,0|1,0,1]=4 604 B13R1.528 OCC(O)CSc1ccccc1O 62a_100011219619_100000739446 [0,1,1,0,0,0|1,0,1]=4 605 B13R1.528 OC[C@H](O)CNc1ccccc1Br 34a_100000210017_100009815848 [0,1,1,0,0,0|1,0,1]=4 606 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [0,1,1,0,0,0|1,0,1]=4 607 B13R1.528 OC[C@H](O)CNc1ccccc1F 34a_100000210422_100009815848 [0,1,1,0,0,0|1,0,1]=4 608 B13R1.528 OC[C@H](O)CNc1ccccc1I 34a_100000210053_100009815848 [0,1,1,0,0,0|1,0,1]=4 609 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [0,1,1,0,0,0|1,0,1]=4 610 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [0,1,1,0,0,0|1,0,1]=4 611 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [0,1,1,0,0,0|1,0,1]=4 612 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [0,1,1,0,0,0|1,0,1]=4 613 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [0,1,1,0,0,0|1,0,1]=4 614 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [0,1,1,0,0,0|1,0,1]=4 615 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [0,1,1,0,0,0|1,0,1]=4 616 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [0,1,1,0,0,0|1,0,1]=4 617 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [0,1,1,0,0,0|1,0,1]=4 618 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100000695589_100009815848 [0,1,1,0,0,0|1,0,1]=4 619 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100009815848_100000695589 [0,1,1,0,0,0|1,0,1]=4 620 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [0,1,1,0,0,0|1,0,1]=4 621 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [0,1,1,0,0,0|1,0,1]=4 622 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100009815848_100011215700 [0,1,1,0,0,0|1,0,1]=4 623 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100011215700_100009815848 [0,1,1,0,0,0|1,0,1]=4 624 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100000739446_100009815848 [0,1,1,0,0,0|1,0,1]=4 625 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100009815848_100000739446 [0,1,1,0,0,0|1,0,1]=4 626 B13R1.47 C=CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210623 [0,1,1,0,0,0|0,0,2]=4 627 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,1,1,0,0,0|1,0,1]=4 628 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,1,1,0,0,0|1,0,1]=4 629 B13R1.92 C=Cc1ccccc1C(OC)OC 271570a_100011290941_100010185899 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.382 C=C=Cc1ccccc1C(O)CN 271570a_100015277604_100011236429 [0,1,1,0,0,0|1,0,0]=3 631 B13R1.382 C=C=Cc1ccccc1[C@H](N)CO 271570a_100015277604_100161155918 [0,1,1,0,0,0|1,0,0]=3 632 B13R1.382 CC=Cc1ccccc1C(O)CN 271570a_100016259895_100011236429 [0,1,1,0,0,0|1,0,0]=3 633 B13R1.382 CC=Cc1ccccc1[C@H](N)CO 271570a_100016259895_100161155918 [0,1,1,0,0,0|1,0,0]=3 634 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [0,1,1,0,0,0|0,0,2]=4 635 B13R1.547 C=C(C)c1ccccc1C(O)CN 271570a_100000694244_100011236429 [0,1,1,0,0,0|1,0,0]=3 636 B13R1.547 C=C(C)c1ccccc1[C@H](N)CO 271570a_100000694244_100161155918 [0,1,1,0,0,0|1,0,0]=3 637 B13R1.73 Cc1ccc(c(c1)CO)NCCO 34a_100011215565_100000211926 [0,1,1,0,0,0|1,0,1]=4 638 B13R1.73 Cc1ccc(c(c1)CO)OCCO 34a_200011846009_100000211926 [0,1,1,0,0,0|1,0,1]=4 639 B13R1.73 Cc1ccc(c(c1)CO)OCCO 7a_200011846009_100000211926 [0,1,1,0,0,0|1,0,1]=4 640 B13R1.73 Cc1ccc(c(c1)CO)SCCO 62a_100000211926_100012361352 [0,1,1,0,0,0|1,0,1]=4 641 B13R1.73 Cc1ccc(c(c1)CO)SCCO 62a_100012361352_100000211926 [0,1,1,0,0,0|1,0,1]=4 642 B13R1.73 Nc1ccc(c(c1)CO)SCCO 62a_100000211926_100012347228 [0,1,1,0,0,0|1,0,1]=4 643 B13R1.73 Nc1ccc(c(c1)CO)SCCO 62a_100012347228_100000211926 [0,1,1,0,0,0|1,0,1]=4 644 B13R1.73 OCCNc1ccc(cc1CO)Br 34a_100012353972_100000211926 [0,1,1,0,0,0|1,0,1]=4 645 B13R1.73 OCCNc1ccc(cc1CO)Cl 34a_100011214999_100000211926 [0,1,1,0,0,0|1,0,1]=4 646 B13R1.73 OCCNc1ccc(cc1CO)F 34a_100011296978_100000211926 [0,1,1,0,0,0|1,0,1]=4 647 B13R1.73 OCCOc1ccc(cc1CO)Br 34a_100000184703_100000211926 [0,1,1,0,0,0|1,0,1]=4 648 B13R1.73 OCCOc1ccc(cc1CO)Br 7a_100000184703_100000211926 [0,1,1,0,0,0|1,0,1]=4 649 B13R1.73 OCCOc1ccc(cc1CO)Cl 34a_100011218961_100000211926 [0,1,1,0,0,0|1,0,1]=4 650 B13R1.73 OCCOc1ccc(cc1CO)Cl 7a_100011218961_100000211926 [0,1,1,0,0,0|1,0,1]=4 651 B13R1.73 OCCOc1ccc(cc1CO)F 34a_100011291448_100000211926 [0,1,1,0,0,0|1,0,1]=4 652 B13R1.73 OCCOc1ccc(cc1CO)F 7a_100011291448_100000211926 [0,1,1,0,0,0|1,0,1]=4 653 B13R1.73 OCCOc1ccc(cc1CO)I 34a_100000049520_100000211926 [0,1,1,0,0,0|1,0,1]=4 654 B13R1.73 OCCOc1ccc(cc1CO)I 7a_100000049520_100000211926 [0,1,1,0,0,0|1,0,1]=4 655 B13R1.73 OCCSc1ccc(cc1CO)Br 62a_100000211926_100011356890 [0,1,1,0,0,0|1,0,1]=4 656 B13R1.73 OCCSc1ccc(cc1CO)Br 62a_100011356890_100000211926 [0,1,1,0,0,0|1,0,1]=4 657 B13R1.73 OCCSc1ccc(cc1CO)F 62a_100000211926_100011217561 [0,1,1,0,0,0|1,0,1]=4 658 B13R1.73 OCCSc1ccc(cc1CO)F 62a_100011217561_100000211926 [0,1,1,0,0,0|1,0,1]=4 659 B13R1.73 OCCSc1ccc(cc1CO)O 62a_100000211926_100012351483 [0,1,1,0,0,0|1,0,1]=4 660 B13R1.73 OCCSc1ccc(cc1CO)O 62a_100012351483_100000211926 [0,1,1,0,0,0|1,0,1]=4 661 B13R1.84 CCCC=Cc1ccccc1CC 271570a_100016258520_100011215823 [0,1,1,0,0,0|2,0,0]=4 662 B13R1.84 CCCC=Cc1ccccc1CN 271570a_100016258520_100000689332 [0,1,1,0,0,0|2,0,0]=4 663 B13R1.84 CCCC=Cc1ccccc1CO 271570a_100016258520_100000187465 [0,1,1,0,0,0|1,0,0]=3 664 B13R1.84 CCCC=Cc1cccnc1CO 271570a_100016258520_100011996772 [0,1,1,0,0,0|2,0,0]=4 665 B13R1.84 CCCC=Cc1ccncc1CO 271570a_100016258520_100000117392 [0,1,1,0,0,0|2,0,0]=4 666 B13R1.84 CCCC=Cc1cnccc1CO 271570a_100016258520_100009873359 [0,1,1,0,0,0|2,0,0]=4 667 B13R1.84 CCCC=Cc1ncccc1CO 271570a_100016258520_100000748726 [0,1,1,0,0,0|2,0,0]=4 668 B13R1.84 CCOC=Cc1ccccc1CC 271570a_100016256518_100011215823 [0,1,1,0,0,0|2,0,0]=4 669 B13R1.84 CCOC=Cc1ccccc1CN 271570a_100016256518_100000689332 [0,1,1,0,0,0|2,0,0]=4 670 B13R1.84 CCOC=Cc1ccccc1CO 271570a_100016256518_100000187465 [0,1,1,0,0,0|1,0,0]=3 671 B13R1.84 CCOC=Cc1cccnc1CO 271570a_100016256518_100011996772 [0,1,1,0,0,0|2,0,0]=4 672 B13R1.84 CCOC=Cc1ccncc1CO 271570a_100016256518_100000117392 [0,1,1,0,0,0|2,0,0]=4 673 B13R1.84 CCOC=Cc1cnccc1CO 271570a_100016256518_100009873359 [0,1,1,0,0,0|2,0,0]=4 674 B13R1.84 CCOC=Cc1ncccc1CO 271570a_100016256518_100000748726 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.84 CCc1ccccc1C=CCOC 271570a_100016286323_100011215823 [0,1,1,0,0,0|1,0,0]=3 676 B13R1.84 CCc1ccncc1C=CCOC 271570a_100016286323_100009819861 [0,1,1,0,0,0|2,0,0]=4 677 B13R1.84 CCc1cnccc1C=CCOC 271570a_100016286323_100025704421 [0,1,1,0,0,0|2,0,0]=4 678 B13R1.84 CCc1ncccc1C=CCOC 271570a_100016286323_100009877225 [0,1,1,0,0,0|2,0,0]=4 679 B13R1.84 CNc1ccccc1C=CCOC 271570a_100016286323_100020606079 [0,1,1,0,0,0|2,0,0]=4 680 B13R1.84 COCC=Cc1ccccc1C#N 271570a_100016286323_100000188569 [0,1,1,0,0,0|1,0,1]=4 681 B13R1.84 COCC=Cc1ccccc1C=O 271570a_100016286323_100000211189 [0,1,1,0,0,0|0,0,2]=4 682 B13R1.84 COCC=Cc1ccccc1CN 271570a_100016286323_100000689332 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.84 COCC=Cc1ccccc1CO 271570a_100016286323_100000187465 [0,1,1,0,0,0|0,0,0]=2 684 B13R1.84 COCC=Cc1ccccc1NN 271570a_100016286323_100000241748 [0,1,1,0,0,0|2,0,0]=4 685 B13R1.84 COCC=Cc1ccccc1OC 271570a_100016286323_100000174000 [0,1,1,0,0,0|2,0,0]=4 686 B13R1.84 COCC=Cc1ccccc1SC 271570a_100016286323_100011217816 [0,1,1,0,0,0|2,0,0]=4 687 B13R1.84 COCC=Cc1cccnc1CN 271570a_100016286323_100020591323 [0,1,1,0,0,0|2,0,0]=4 688 B13R1.84 COCC=Cc1cccnc1CO 271570a_100016286323_100011996772 [0,1,1,0,0,0|1,0,0]=3 689 B13R1.84 COCC=Cc1ccncc1CO 271570a_100016286323_100000117392 [0,1,1,0,0,0|1,0,0]=3 690 B13R1.84 COCC=Cc1cnccc1CN 271570a_100016286323_100020640021 [0,1,1,0,0,0|2,0,0]=4 691 B13R1.84 COCC=Cc1cnccc1CO 271570a_100016286323_100009873359 [0,1,1,0,0,0|1,0,0]=3 692 B13R1.84 COCC=Cc1ncccc1CN 271570a_100016286323_100015189234 [0,1,1,0,0,0|2,0,0]=4 693 B13R1.84 COCC=Cc1ncccc1CO 271570a_100016286323_100000748726 [0,1,1,0,0,0|1,0,0]=3 694 B13R1.84 COCC=Cc1nccnc1CO 271570a_100016286323_100000057004 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.84 COCCNc1ccccc1CO 34a_100000212039_100011201679 [0,1,1,0,0,0|1,0,1]=4 696 B13R1.84 COCCOc1ccccc1CO 34a_100011216872_100011201679 [0,1,1,0,0,0|1,0,1]=4 697 B13R1.84 COCCSc1ccccc1CO 62a_100000187465_100000233755 [0,1,1,0,0,0|1,0,1]=4 698 B13R1.84 COCCSc1ccccc1CO 62a_100000233755_100000187465 [0,1,1,0,0,0|1,0,1]=4 699 B13R1.84 COCSCc1ccccc1CO 62a_100000766300_100009816955 [0,1,1,0,0,0|1,0,1]=4 700 B13R1.84 COCSCc1ccccc1CO 62a_100009816955_100000766300 [0,1,1,0,0,0|1,0,1]=4 701 B13R1.84 OCCCNc1ccccc1CO 34a_100000212039_100000230001 [0,1,1,0,0,0|0,0,2]=4 702 B13R1.84 OCCCOc1ccccc1CO 34a_100011216872_100000230001 [0,1,1,0,0,0|0,0,2]=4 703 B13R1.84 OCCCSc1ccccc1CO 62a_100000187465_100011215043 [0,1,1,0,0,0|0,0,2]=4 704 B13R1.84 OCCCSc1ccccc1CO 62a_100011215043_100000187465 [0,1,1,0,0,0|0,0,2]=4 705 B13R1.84 OCCNCc1ccccc1CO 2230a_100016997473_100009816955 [0,1,1,0,0,0|0,0,2]=4 706 B13R1.84 OCCNCc1ccccc1CO 34a_100016990907_100009816955 [0,1,1,0,0,0|0,0,2]=4 707 B13R1.84 OCCSCc1ccccc1CO 62a_100000211926_100009816955 [0,1,1,0,0,0|0,0,2]=4 708 B13R1.84 OCCSCc1ccccc1CO 62a_100009816955_100000211926 [0,1,1,0,0,0|0,0,2]=4 709 B13R1.90 CC(C)C=Cc1ccccc1CN 271570a_100016257149_100000689332 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.90 CC(C)C=Cc1ccccc1CO 271570a_100016257149_100000187465 [0,1,1,0,0,0|1,0,0]=3 711 B13R1.90 CC(C)C=Cc1cccnc1CO 271570a_100016257149_100011996772 [0,1,1,0,0,0|2,0,0]=4 712 B13R1.90 CC(C)C=Cc1ccncc1CO 271570a_100016257149_100000117392 [0,1,1,0,0,0|2,0,0]=4 713 B13R1.90 CC(C)C=Cc1cnccc1CO 271570a_100016257149_100009873359 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.90 CC(C)C=Cc1ncccc1CO 271570a_100016257149_100000748726 [0,1,1,0,0,0|2,0,0]=4 715 B13R1.90 CC(O)C=Cc1ccccc1C#N 271570a_200011019289_100000188569 [0,1,1,0,0,0|1,0,1]=4 716 B13R1.90 CC(O)C=Cc1ccccc1C=O 271570a_200011019289_100000211189 [0,1,1,0,0,0|0,0,2]=4 717 B13R1.90 CC(O)C=Cc1ccccc1CN 271570a_200011019289_100000689332 [0,1,1,0,0,0|1,0,0]=3 718 B13R1.90 CC(O)C=Cc1ccccc1CO 271570a_200011019289_100000187465 [0,1,1,0,0,0|0,0,0]=2 719 B13R1.90 CC(O)C=Cc1ccccc1NN 271570a_200011019289_100000241748 [0,1,1,0,0,0|2,0,0]=4 720 B13R1.90 CC(O)C=Cc1cccnc1CN 271570a_200011019289_100020591323 [0,1,1,0,0,0|2,0,0]=4 721 B13R1.90 CC(O)C=Cc1cccnc1CO 271570a_200011019289_100011996772 [0,1,1,0,0,0|1,0,0]=3 722 B13R1.90 CC(O)C=Cc1ccncc1CO 271570a_200011019289_100000117392 [0,1,1,0,0,0|1,0,0]=3 723 B13R1.90 CC(O)C=Cc1cnccc1CN 271570a_200011019289_100020640021 [0,1,1,0,0,0|2,0,0]=4 724 B13R1.90 CC(O)C=Cc1cnccc1CO 271570a_200011019289_100009873359 [0,1,1,0,0,0|1,0,0]=3 725 B13R1.90 CC(O)C=Cc1ncccc1CN 271570a_200011019289_100015189234 [0,1,1,0,0,0|2,0,0]=4 726 B13R1.90 CC(O)C=Cc1ncccc1CO 271570a_200011019289_100000748726 [0,1,1,0,0,0|1,0,0]=3 727 B13R1.90 CC(O)C=Cc1nccnc1CO 271570a_200011019289_100000057004 [0,1,1,0,0,0|2,0,0]=4 728 B13R1.90 CC(O)CNc1ccccc1CO 34a_100000212039_100011218427 [0,1,1,0,0,0|1,0,1]=4 729 B13R1.90 CC(O)COc1ccccc1CO 34a_100011216872_100011218427 [0,1,1,0,0,0|1,0,1]=4 730 B13R1.90 CC(O)CSc1ccccc1CO 62a_100000187465_100011218427 [0,1,1,0,0,0|1,0,1]=4 731 B13R1.90 CC(O)CSc1ccccc1CO 62a_100011218427_100000187465 [0,1,1,0,0,0|1,0,1]=4 732 B13R1.90 CCc1ccccc1C=CC(C)C 271570a_100016257149_100011215823 [0,1,1,0,0,0|2,0,0]=4 733 B13R1.90 CCc1ccccc1C=CC(C)O 271570a_200011019289_100011215823 [0,1,1,0,0,0|1,0,0]=3 734 B13R1.90 CCc1ccncc1C=CC(C)O 271570a_200011019289_100009819861 [0,1,1,0,0,0|2,0,0]=4 735 B13R1.90 CCc1cnccc1C=CC(C)O 271570a_200011019289_100025704421 [0,1,1,0,0,0|2,0,0]=4 736 B13R1.90 CCc1ncccc1C=CC(C)O 271570a_200011019289_100009877225 [0,1,1,0,0,0|2,0,0]=4 737 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,1,1,0,0,0|2,0,0]=4 738 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,1,1,0,0,0|2,0,0]=4 739 B13R1.90 CSc1ccccc1C=CC(C)O 271570a_200011019289_100011217816 [0,1,1,0,0,0|2,0,0]=4 740 B13R1.90 C[C@@H](O)CNc1ccccc1CO 34a_100000212039_100009817552 [0,1,1,0,0,0|1,0,1]=4 741 B13R1.90 C[C@@H](O)COc1ccccc1CO 34a_100011216872_100009817552 [0,1,1,0,0,0|1,0,1]=4 742 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100000187465_100009817552 [0,1,1,0,0,0|1,0,1]=4 743 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100009817552_100000187465 [0,1,1,0,0,0|1,0,1]=4 744 B13R1.91 CC(CO)Nc1ccccc1CO 34a_100000212039_100012180447 [0,1,1,0,0,0|1,0,1]=4 745 B13R1.91 CC(CO)Oc1ccccc1CO 34a_100011216872_100012180447 [0,1,1,0,0,0|1,0,1]=4 746 B13R1.91 CC(CO)Sc1ccccc1CO 62a_100012180447_100000187465 [0,1,1,0,0,0|1,0,1]=4 747 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [0,1,1,0,0,0|1,0,1]=4 748 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,1,1,0,0,0|2,0,0]=4 749 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,1,0,0,0|2,0,0]=4 750 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,1,0,0,0|2,0,0]=4 751 B13R1.91 C[C@H](CO)Sc1ccccc1CO 62a_100000187465_100016084084 [0,1,1,0,0,0|1,0,1]=4 752 B13R1.91 C[C@H](CO)Sc1ccccc1CO 62a_100016084084_100000187465 [0,1,1,0,0,0|1,0,1]=4 753 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [0,1,1,0,0,0|0,0,1]=3 754 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,1,1,0,0,0|1,0,0]=3 755 B13R1.485 COCc1ccccc1OCCO 34a_100011488565_100000211926 [0,1,1,0,0,0|1,0,1]=4 756 B13R1.485 COCc1ccccc1OCCO 7a_100011488565_100000211926 [0,1,1,0,0,0|1,0,1]=4 757 B13R1.485 COCc1ccccc1SCCO 62a_100000211926_100011493684 [0,1,1,0,0,0|1,0,1]=4 758 B13R1.485 COCc1ccccc1SCCO 62a_100011493684_100000211926 [0,1,1,0,0,0|1,0,1]=4 759 B13R1.485 OCCNc1ccccc1CCO 2230a_100011215289_100000211926 [0,1,1,0,0,0|1,0,1]=4 760 B13R1.485 OCCNc1ccccc1CCO 34a_100011215289_100000211926 [0,1,1,0,0,0|1,0,1]=4 761 B13R1.485 OCCOc1ccccc1CCO 34a_100000719421_100000211926 [0,1,1,0,0,0|1,0,1]=4 762 B13R1.485 OCCOc1ccccc1CCO 7a_100000719421_100000211926 [0,1,1,0,0,0|1,0,1]=4 763 B13R1.485 OCCSc1ccccc1CCO 62a_100000211926_100000731337 [0,1,1,0,0,0|1,0,1]=4 764 B13R1.485 OCCSc1ccccc1CCO 62a_100000731337_100000211926 [0,1,1,0,0,0|1,0,1]=4 765 B13R1.556 Cc1ccc(c(c1)NCCO)CO 34a_100000087799_100000211926 [0,1,1,0,0,0|1,0,1]=4 766 B13R1.556 OCCNc1cc(ccc1CO)Br 34a_100000718831_100000211926 [0,1,1,0,0,0|1,0,1]=4 767 B13R1.556 OCCNc1cc(ccc1CO)Cl 34a_100000238622_100000211926 [0,1,1,0,0,0|1,0,1]=4 768 B13R1.556 OCCNc1cc(ccc1CO)F 34a_100011996588_100000211926 [0,1,1,0,0,0|1,0,1]=4 769 B13R1.556 OCCOc1cc(ccc1CO)Br 34a_100000071718_100000211926 [0,1,1,0,0,0|1,0,1]=4 770 B13R1.556 OCCOc1cc(ccc1CO)Br 7a_100000071718_100000211926 [0,1,1,0,0,0|1,0,1]=4 771 B13R1.556 OCCSc1cc(ccc1CO)Br 62a_100000211926_100010146605 [0,1,1,0,0,0|1,0,1]=4 772 B13R1.556 OCCSc1cc(ccc1CO)Br 62a_100010146605_100000211926 [0,1,1,0,0,0|1,0,1]=4 773 B13R1.556 OCCSc1cc(ccc1CO)Cl 62a_100000211926_100000722340 [0,1,1,0,0,0|1,0,1]=4 774 B13R1.556 OCCSc1cc(ccc1CO)Cl 62a_100000722340_100000211926 [0,1,1,0,0,0|1,0,1]=4 775 B13R1.556 OCCSc1cc(ccc1CO)F 62a_100000211926_100000744086 [0,1,1,0,0,0|1,0,1]=4 776 B13R1.556 OCCSc1cc(ccc1CO)F 62a_100000744086_100000211926 [0,1,1,0,0,0|1,0,1]=4 777 B13R1.556 OCCSc1cc(ccc1CO)O 62a_100000211926_100010146404 [0,1,1,0,0,0|1,0,1]=4 778 B13R1.556 OCCSc1cc(ccc1CO)O 62a_100010146404_100000211926 [0,1,1,0,0,0|1,0,1]=4 779 B13R1.572 CC(O)c1ccccc1NCCO 2230a_100011405641_100000211926 [0,1,1,0,0,0|1,0,1]=4 780 B13R1.572 CC(O)c1ccccc1OCCO 34a_200011232679_100000211926 [0,1,1,0,0,0|1,0,1]=4 781 B13R1.572 CC(O)c1ccccc1OCCO 7a_200011232679_100000211926 [0,1,1,0,0,0|1,0,1]=4 782 B13R1.572 CC(O)c1ccccc1SCCO 62a_100000211926_100000702211 [0,1,1,0,0,0|1,0,1]=4 783 B13R1.572 CC(O)c1ccccc1SCCO 62a_100000702211_100000211926 [0,1,1,0,0,0|1,0,1]=4 784 B13R1.1619 Cc1cccc(c1NCCO)CO 34a_100011215590_100000211926 [0,1,1,0,0,0|1,0,1]=4 785 B13R1.1619 Cc1cccc(c1SCCO)CO 62a_100000211926_100011659289 [0,1,1,0,0,0|1,0,1]=4 786 B13R1.1619 Cc1cccc(c1SCCO)CO 62a_100011659289_100000211926 [0,1,1,0,0,0|1,0,1]=4 787 B13R1.1619 OCCNc1c(cccc1CO)Cl 34a_100012182729_100000211926 [0,1,1,0,0,0|1,0,1]=4 788 B13R1.1619 OCCNc1c(cccc1CO)F 34a_100000692437_100000211926 [0,1,1,0,0,0|1,0,1]=4 789 B13R1.1619 OCCOc1c(cccc1CO)F 34a_100011997349_100000211926 [0,1,1,0,0,0|1,0,1]=4 790 B13R1.1619 OCCOc1c(cccc1CO)F 7a_100011997349_100000211926 [0,1,1,0,0,0|1,0,1]=4 791 B13R1.1619 OCCSc1c(cccc1CO)Br 62a_100000211926_100010146604 [0,1,1,0,0,0|1,0,1]=4 792 B13R1.1619 OCCSc1c(cccc1CO)Br 62a_100010146604_100000211926 [0,1,1,0,0,0|1,0,1]=4 793 B13R1.1619 OCCSc1c(cccc1CO)F 62a_100000211926_100012351117 [0,1,1,0,0,0|1,0,1]=4 794 B13R1.1619 OCCSc1c(cccc1CO)F 62a_100012351117_100000211926 [0,1,1,0,0,0|1,0,1]=4 795 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [1,1,0,0,0,0|0,0,2]=4 796 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [1,1,0,0,0,0|0,0,2]=4 797 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [1,1,0,0,0,0|1,0,1]=4 798 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|0,0,2]=4 799 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|0,0,2]=4 800 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [1,1,0,0,0,0|0,0,2]=4 801 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [1,1,0,0,0,0|0,0,2]=4 802 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [1,1,0,0,0,0|1,0,1]=4 803 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|0,0,2]=4 804 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|0,0,2]=4 805 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|0,0,2]=4 806 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|0,0,2]=4 807 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,1]=4 808 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,1]=4 809 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|0,0,2]=4 810 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|1,0,1]=4 811 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|0,0,2]=4 812 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|0,0,2]=4 813 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|0,0,2]=4 814 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|1,0,1]=4 815 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|1,0,1]=4 816 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|1,0,1]=4 817 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|0,0,2]=4 818 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|1,0,1]=4 819 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|1,0,1]=4 820 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|0,0,2]=4 821 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|0,0,2]=4 822 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|1,0,1]=4 823 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|0,0,2]=4 824 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|0,0,2]=4 825 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|0,0,2]=4 826 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|0,0,2]=4 827 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|1,0,1]=4 828 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|1,0,1]=4 829 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|1,0,1]=4 830 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|1,0,1]=4 831 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|0,0,2]=4 832 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|0,0,2]=4 833 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|0,0,2]=4 834 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|0,0,2]=4 835 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|1,0,1]=4 836 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|1,0,1]=4 837 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|0,0,2]=4 838 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|0,0,2]=4 839 B13R2.342 Cc1cccc2c1ccnc2O 271570a_203496583355_100012002547 [1,1,0,0,0,0|1,0,1]=4 840 B13R2.342 Nc1cccc2c1cccc2O 271570a_203496583355_100009816864 [1,1,0,0,0,0|0,0,2]=4 841 B13R2.342 Nc1cccc2c1ccnc2O 271570a_203496583355_100000070072 [1,1,0,0,0,0|1,0,1]=4 842 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [1,1,0,0,0,0|0,0,2]=4 843 B13R2.342 Oc1cccc2c1cccc2F 271570a_203496583355_100009817034 [1,1,0,0,0,0|0,0,2]=4 844 B13R2.342 Oc1cccc2c1cccc2O 271570a_203496583355_100010003857 [1,1,0,0,0,0|0,0,2]=4 845 B13R2.342 Oc1nccc2c1cccc2F 271570a_203496583355_100012180906 [1,1,0,0,0,0|1,0,1]=4 846 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [1,1,0,0,0,0|0,0,2]=4 847 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [1,1,0,0,0,0|1,0,1]=4 848 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [1,1,0,0,0,0|0,0,2]=4 849 B13R2.371 Nc1cnc(c2c1cccc2)O 271570a_203496583355_200009868590 [1,1,0,0,0,0|1,0,1]=4 850 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [1,1,0,0,0,0|0,0,2]=4 851 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [1,1,0,0,0,0|0,0,2]=4 852 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [1,1,0,0,0,0|0,0,2]=4 853 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [1,1,0,0,0,0|1,0,1]=4 854 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [1,1,0,0,0,0|1,0,1]=4 855 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [1,1,0,0,0,0|0,0,2]=4 856 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [1,1,0,0,0,0|0,0,2]=4 857 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [1,1,0,0,0,0|1,0,1]=4 858 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [1,1,0,0,0,0|1,0,1]=4 859 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [1,1,0,0,0,0|0,0,2]=4 860 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [1,1,0,0,0,0|0,0,2]=4 861 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [1,1,0,0,0,0|1,0,1]=4 862 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [1,1,0,0,0,0|0,0,2]=4 863 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [1,1,0,0,0,0|0,0,2]=4 864 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [1,1,0,0,0,0|1,0,1]=4 865 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [1,1,0,0,0,0|1,0,1]=4 866 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [1,1,0,0,0,0|0,0,2]=4 867 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [1,1,0,0,0,0|0,0,2]=4 868 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [1,1,0,0,0,0|1,0,1]=4 869 B13R2.4818 Cc1cccc2c1c(ccc2)O 271570a_203496583355_100009995290 [1,1,0,0,0,0|0,0,2]=4 870 B13R2.4818 Nc1cccc2c1c(ccc2)O 271570a_203496583355_100010002837 [1,1,0,0,0,0|0,0,2]=4 871 B13R2.4818 Oc1cccc2c1c(ccc2)Br 271570a_203496583355_100010243825 [1,1,0,0,0,0|0,0,2]=4 872 B13R2.4818 Oc1cccc2c1c(ccc2)F 271570a_203496583355_100010177852 [1,1,0,0,0,0|0,0,2]=4 873 B13R2.4818 Oc1cccc2c1c(ccc2)O 271570a_203496583355_100010089961 [1,1,0,0,0,0|0,0,2]=4 874 B13R2.4818 Oc1cccc2c1c(ncc2)O 271570a_203496583355_100010162479 [1,1,0,0,0,0|1,0,1]=4 875 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,0,1,0|1,0,1]=4 876 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,0,1,0|1,0,1]=4 877 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,0,1,0|0,0,1]=3 878 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,0,1,0|0,1,1]=4 879 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,0,1,0|0,1,1]=4 880 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,0,1,0|0,1,1]=4 881 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,0,1,0|0,1,1]=4 882 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,0,1,0|1,0,1]=4 883 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,0,1,0|1,0,1]=4 884 B15R2.2220 CCOc1ccc2ccccc2c1O 271570a_203496583355_200000173018 [0,2,0,0,0,0|0,0,2]=4 885 B15R2.2220 COCc1ccc2ccccc2c1O 271570a_203496583355_200009813570 [0,2,0,0,0,0|0,0,2]=4 886 B15R2.4774 COc1ccc2ccc(cc2c1O)C 271570a_203496583355_203437268721 [0,2,0,0,0,0|0,0,2]=4 887 B13R2.91 C=Cc1ccccc1C2(CC2)N 271570a_100011290941_200000691159 [0,0,1,1,0,0|2,0,0]=4 888 B13R2.582 C=Cc1cccc2c1C(=O)CO2 271570a_100011290941_100010205902 [0,0,1,1,0,0|0,0,2]=4 889 B13R2.582 C=Cc1cccc2c1C(CC2)N 271570a_100011290941_100103168669 [0,0,1,1,0,0|2,0,0]=4 890 B13R2.582 C=Cc1cccc2c1C(CS2)O 271570a_100011290941_200010991195 [0,0,1,1,0,0|0,1,0]=3 891 B13R2.611 C=Cc1ccc(c2c1cco2)O 271570a_100011290941_200020711608 [0,0,1,1,0,0|0,0,2]=4 892 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,1]=4 893 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,1]=4 894 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,1]=4 895 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|1,0,1]=4 896 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|1,0,1]=4 897 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,0,1,0,0,1|0,0,2]=4 898 B13R1.718 OCC(O)C=NNc1ccccc1 4a_100015195140_100000033539 [0,0,1,0,0,1|1,0,0]=3 899 B13R1.718 OCC(O)C=NNc1ccccn1 4a_100000183288_100000033539 [0,0,1,0,0,1|2,0,0]=4 900 B13R1.718 OCC(O)C=NNc1cccnc1 4a_100000728903_100000033539 [0,0,1,0,0,1|2,0,0]=4 901 B13R1.718 OCC(O)C=NNc1ccncc1 4a_100000698918_100000033539 [0,0,1,0,0,1|2,0,0]=4 902 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,0,1,0,0,1|0,0,2]=4 903 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,0,1,0,0,1|0,0,2]=4 904 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,0,1,0,0,1|0,0,2]=4 905 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,0,1,0,0,1|0,0,2]=4 906 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,0,1,0,0,1|0,0,2]=4 907 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,0,1,0,0,1|0,0,2]=4 908 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,0,1,0,0,1|0,0,2]=4 909 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,0,1,0,0,1|0,0,2]=4 910 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,0,1,0,0,1|0,0,2]=4 911 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,0,1,0,0,1|0,0,2]=4 912 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,0,1,0,0,1|0,0,2]=4 913 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,0,1,0,0,1|0,0,2]=4 914 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,0,1,0,0,1|0,0,2]=4 915 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,0,1,0,0,1|0,0,2]=4