0 B12R2.44 C=Cc1cc2c(cn1)CCN2 271570a_100011290941_100020639910 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.44 C=Cc1cc2c(cn1)NCC2 271570a_100011290941_100009884275 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.44 C=Cc1cc2c(cn1)OCC2 271570a_100011290941_102495363667 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.44 C=Cc1ccc2[nH]cnc2c1 271570a_100011290941_100011265325 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.44 C=Cc1ccc2[nH]ncc2c1 271570a_100011290941_100000049815 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.44 C=Cc1ccc2c(c1)CNC2 271570a_100011290941_100000702344 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.44 C=Cc1ccc2c(c1)COC2 271570a_100011290941_100000698232 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [0,0,0,0,0,0|1,0,0]=1 16 B12R2.44 C=Cc1ccc2c(n1)CCC2 271570a_100011290941_100000046531 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.44 C=Cc1ccc2c(n1)CCN2 271570a_100011290941_100009872833 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.44 C=Cc1ccc2cc[nH]c2c1 271570a_100011290941_100000743809 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,0,0,0,0|2,0,1]=3 20 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.44 C=Cc1ccc2cn[nH]c2c1 271570a_100011290941_100000049514 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.44 C=Cc1ccc2cnoc2c1 271570a_100011290941_100009817722 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.44 C=Cc1ccc2cscc2c1 271570a_100011290941_200010760811 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.44 C=Cc1ccc2csnc2c1 271570a_100011290941_100010170880 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.44 C=Cc1ccc2ncoc2c1 271570a_100011290941_100009817590 [0,0,0,0,0,0|2,0,1]=3 26 B12R2.44 C=Cc1ccc2ncsc2c1 271570a_100011290941_100009816678 [0,0,0,0,0,0|2,1,1]=4 27 B12R2.44 C=Cc1ccc2nn[nH]c2c1 271570a_100011290941_100009817464 [0,0,0,0,0,0|4,0,0]=4 28 B12R2.44 C=Cc1ccc2nonc2c1 271570a_100011290941_100009814275 [0,0,0,0,0,0|4,0,0]=4 29 B12R2.44 C=Cc1ccc2nsnc2c1 271570a_100011290941_100009814274 [0,0,0,0,0,0|4,0,0]=4 30 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,0,0,0,0,0|2,0,1]=3 31 B12R2.44 C=Cc1ccc2occc2n1 271570a_100011290941_100009851292 [0,0,0,0,0,0|3,0,1]=4 32 B12R2.44 C=Cc1ccc2ocnc2c1 271570a_100011290941_100009816175 [0,0,0,0,0,0|2,0,1]=3 33 B12R2.44 C=Cc1ccc2oncc2c1 271570a_100011290941_100009817723 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [0,0,0,0,0,0|2,1,1]=4 35 B12R2.44 C=Cc1ccc2scnc2c1 271570a_100011290941_100010005895 [0,0,0,0,0,0|2,1,1]=4 36 B12R2.44 C=Cc1cnc2c(c1)CCC2 271570a_100011290941_100000693888 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.44 C=Cc1cnc2c(c1)CCN2 271570a_100011290941_100009817725 [0,0,0,0,0,0|4,0,0]=4 38 B12R2.44 C=Cc1cnc2c(c1)NCC2 271570a_100011290941_100000698607 [0,0,0,0,0,0|4,0,0]=4 39 B12R2.44 C=Cc1cnc2ncoc2c1 271570a_100011290941_100000721906 [0,0,0,0,0,0|3,0,1]=4 40 B12R2.44 CNc1ccc2c(c1)CCC2 2230a_100000211504_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B12R2.44 CNc1ccc2c(c1)CCC2 34a_100000211504_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,0,0,0,0,0|2,0,0]=2 45 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,0,0,0,0,0|2,0,0]=2 46 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,0,0,0,0,0|3,0,1]=4 47 B12R2.44 CNc1ccc2cnoc2c1 34a_100000084182_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,0,0,0,0,0|3,0,1]=4 49 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B12R2.44 CNc1ccc2ocnc2c1 34a_100011219863_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B12R2.44 CNc1ccc2oncc2c1 34a_100000037595_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,0,0,0|2,0,0]=2 57 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,0,0,0,0,0|4,0,0]=4 60 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,0,0,0,0,0|3,0,1]=4 63 B12R2.44 CSc1cc2c(cn1)OCC2 62a_102495363667_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B12R2.44 CSc1cc2c(cn1)OCC2 62a_200000210301_102495363667 [0,0,0,0,0,0|4,0,0]=4 65 B12R2.44 CSc1ccc2c(c1)CCC2 62a_100000745594_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B12R2.44 CSc1ccc2c(c1)CCC2 62a_200000210301_100000745594 [0,0,0,0,0,0|4,0,0]=4 67 B12R2.44 CSc1ccc2c(c1)CCN2 62a_100000691068_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B12R2.44 CSc1ccc2c(c1)CCN2 62a_200000210301_100000691068 [0,0,0,0,0,0|4,0,0]=4 69 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,0,0,0,0,0|3,0,0]=3 71 B12R2.44 CSc1ccc2c(c1)NCC2 62a_100000754641_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B12R2.44 CSc1ccc2c(c1)NCC2 62a_200000210301_100000754641 [0,0,0,0,0,0|4,0,0]=4 73 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,0,0,0,0,0|3,0,0]=3 75 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,0,0,0,0,0|3,0,1]=4 76 B12R2.44 CSc1ccc2cnoc2c1 62a_200000210301_100009817722 [0,0,0,0,0,0|4,0,0]=4 77 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,0,0,0,0,0|3,0,1]=4 78 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,0,0,0,0,0|3,0,1]=4 79 B12R2.44 CSc1ccc2ocnc2c1 62a_200000210301_100009816175 [0,0,0,0,0,0|3,0,1]=4 80 B12R2.44 CSc1ccc2oncc2c1 62a_200000210301_100009817723 [0,0,0,0,0,0|4,0,0]=4 81 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 2230a_100000211504_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 34a_100000211504_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,0,0,0,0,0|3,0,0]=3 84 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,0,0,0,0,0|3,0,0]=3 85 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,0,0,0,0,0|2,0,0]=2 87 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,0,0,0,0,0|3,0,1]=4 88 B12R2.44 [13CH3]Nc1ccc2cnoc2c1 34a_100000084182_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,0,0,0,0,0|3,0,1]=4 91 B12R2.44 [13CH3]Nc1ccc2ocnc2c1 34a_100011219863_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B12R2.44 [13CH3]Nc1ccc2oncc2c1 34a_100000037595_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,0,0,0,0,0|4,0,0]=4 95 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,0,0,0,0,0|4,0,0]=4 97 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,0,0,0|2,0,0]=2 98 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,0,0,0,0,0|3,0,1]=4 99 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,0,0,0,0,0|3,0,1]=4 100 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,0,0,0,0,0|3,0,1]=4 103 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,0,0,0,0,0|3,0,1]=4 104 B12R2.44 [13CH3]Sc1cc2c(cn1)OCC2 62a_102495363667_200025704644 [0,0,0,0,0,0|4,0,0]=4 105 B12R2.44 [13CH3]Sc1cc2c(cn1)OCC2 62a_200025704644_102495363667 [0,0,0,0,0,0|4,0,0]=4 106 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_100000745594_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_200025704644_100000745594 [0,0,0,0,0,0|4,0,0]=4 108 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_100000691068_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_200025704644_100000691068 [0,0,0,0,0,0|4,0,0]=4 110 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,0,0,0,0,0|3,0,0]=3 112 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_100000754641_200025704644 [0,0,0,0,0,0|4,0,0]=4 113 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_200025704644_100000754641 [0,0,0,0,0,0|4,0,0]=4 114 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,0,0,0,0,0|3,0,0]=3 116 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,0,0,0,0,0|3,0,1]=4 117 B12R2.44 [13CH3]Sc1ccc2cnoc2c1 62a_200025704644_100009817722 [0,0,0,0,0,0|4,0,0]=4 118 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,0,0,0,0,0|3,0,1]=4 119 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,0,0,0,0,0|3,0,1]=4 120 B12R2.44 [13CH3]Sc1ccc2ocnc2c1 62a_200025704644_100009816175 [0,0,0,0,0,0|3,0,1]=4 121 B12R2.44 [13CH3]Sc1ccc2oncc2c1 62a_200025704644_100009817723 [0,0,0,0,0,0|4,0,0]=4 122 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [1,0,0,0,0,0|2,0,1]=4 123 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,0,0,0|2,0,1]=4 124 B11R2.36 Oc1ccc2c(c1)CCN2 271570a_203496583355_100000026929 [1,0,0,0,0,0|2,0,1]=4 125 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [1,0,0,0,0,0|1,0,1]=3 126 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,0,0,0|2,0,1]=4 127 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,0,0,0|1,0,1]=3 128 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,0,0,0|0,0,1]=2 129 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,0,0|1,0,2]=4 130 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,0,0|2,0,1]=4 131 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,0,0,0|1,0,2]=4 132 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,0,0|1,0,2]=4 133 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,0,0|1,0,2]=4 134 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,0,0|2,0,1]=4 135 B13R2.84 C=Cc1ccc2c(c1C)OCO2 271570a_100011290941_100010335860 [0,1,0,0,0,0|1,0,0]=2 136 B13R2.84 C=Cc1ccc2c(c1F)CCN2 271570a_100011290941_100011013764 [0,1,0,0,0,0|3,0,0]=4 137 B13R2.84 C=Cc1ccc2c(c1F)OCO2 271570a_100011290941_100010223184 [0,1,0,0,0,0|1,0,0]=2 138 B13R2.84 C=Cc1ccc2c(c1N)CCC2 271570a_100011290941_202495424074 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.84 C=Cc1ccc2c(c1O)CCC2 271570a_100011290941_100010662108 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.84 CSc1ccc2c(c1C)OCO2 62a_100010335860_200000210301 [0,1,0,0,0,0|2,0,0]=3 141 B13R2.84 CSc1ccc2c(c1F)OCO2 62a_100010223184_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.84 Cc1c(ccc2c1OCO2)S[13CH3] 62a_100010335860_200025704644 [0,1,0,0,0,0|2,0,0]=3 143 B13R2.84 [13CH3]Sc1ccc2c(c1F)OCO2 62a_100010223184_200025704644 [0,1,0,0,0,0|2,0,0]=3 144 B13R2.430 C=C(C)c1cc2c(cn1)OCC2 271570a_100000694244_102495363667 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.430 C=C(C)c1ccc2c(c1)CCC2 271570a_100000694244_100000745594 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.430 C=C(C)c1ccc2c(c1)CCN2 271570a_100000694244_100000026929 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [0,1,0,0,0,0|3,0,0]=4 149 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,0,0,0|1,0,0]=2 151 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [0,1,0,0,0,0|2,0,1]=4 152 B13R2.430 C=C(C)c1ccc2cnoc2c1 271570a_100000694244_100009817722 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.430 C=C(C)c1ccc2ncoc2c1 271570a_100000694244_100009817590 [0,1,0,0,0,0|2,0,1]=4 154 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,1,0,0,0,0|2,0,1]=4 155 B13R2.430 C=C(C)c1ccc2ocnc2c1 271570a_100000694244_100009816175 [0,1,0,0,0,0|2,0,1]=4 156 B13R2.430 C=C(C)c1ccc2oncc2c1 271570a_100000694244_100009817723 [0,1,0,0,0,0|3,0,0]=4 157 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,1,0,0,0,0|2,0,1]=4 158 B13R2.430 CC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200000210301 [0,1,0,0,0,0|2,0,1]=4 159 B13R2.430 CC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200000210301 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,0,0,0|2,0,0]=3 161 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,0,0,0|1,0,0]=2 162 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,0,0,0|0,0,0]=1 163 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,1,0,0,0,0|2,0,1]=4 164 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,0,0,0|1,0,1]=3 165 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,1,0,0,0,0|1,1,1]=4 166 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200000210301 [0,1,0,0,0,0|3,0,0]=4 167 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,0,0,0|1,0,1]=3 168 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,1,0,0,0,0|1,1,1]=4 169 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,1,0,0,0,0|3,0,0]=4 170 B13R2.430 CC(=O)c1ccc2nsnc2c1 1458a_100000041451_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,0,0,0|1,0,1]=3 172 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,1,0,0,0,0|1,0,1]=3 173 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,1,0,0,0,0|1,1,1]=4 174 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,1,0,0,0,0|1,1,1]=4 175 B13R2.430 CC(=O)c1ccc2snnc2c1 1458a_100000038608_200000210301 [0,1,0,0,0,0|2,1,0]=4 176 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,1,0,0,0,0|2,0,1]=4 177 B13R2.430 [13CH3]C(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200025704644 [0,1,0,0,0,0|2,0,1]=4 178 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200025704644 [0,1,0,0,0,0|3,0,0]=4 179 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,0,0,0|1,0,0]=2 181 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,0,0,0|0,0,0]=1 182 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,1,0,0,0,0|2,0,1]=4 183 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,0,0,0|1,0,1]=3 184 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,1,0,0,0,0|1,1,1]=4 185 B13R2.430 [13CH3]C(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200025704644 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,0,0,0|1,0,1]=3 187 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,1,0,0,0,0|1,1,1]=4 188 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,1,0,0,0,0|3,0,0]=4 189 B13R2.430 [13CH3]C(=O)c1ccc2nsnc2c1 1458a_100000041451_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,0,0,0|1,0,1]=3 191 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,1,0,0,0,0|1,0,1]=3 192 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,1,0,0,0,0|1,1,1]=4 193 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,1,0,0,0,0|1,1,1]=4 194 B13R2.430 [13CH3]C(=O)c1ccc2snnc2c1 1458a_100000038608_200025704644 [0,1,0,0,0,0|2,1,0]=4 195 B13R2.449 C=C=Cc1cc2c(cn1)OCC2 271570a_100015277604_102495363667 [0,1,0,0,0,0|3,0,0]=4 196 B13R2.449 C=C=Cc1ccc2c(c1)CCC2 271570a_100015277604_100000745594 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.449 C=C=Cc1ccc2c(c1)CCN2 271570a_100015277604_100000026929 [0,1,0,0,0,0|3,0,0]=4 198 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [0,1,0,0,0,0|2,0,0]=3 199 B13R2.449 C=C=Cc1ccc2c(c1)NCC2 271570a_100015277604_100000754641 [0,1,0,0,0,0|3,0,0]=4 200 B13R2.449 C=C=Cc1ccc2c(c1)OCC2 271570a_100015277604_100009818566 [0,1,0,0,0,0|2,0,0]=3 201 B13R2.449 C=C=Cc1ccc2c(c1)OCO2 271570a_100015277604_100000688060 [0,1,0,0,0,0|1,0,0]=2 202 B13R2.449 C=C=Cc1ccc2ccoc2c1 271570a_100015277604_100000759542 [0,1,0,0,0,0|2,0,1]=4 203 B13R2.449 C=C=Cc1ccc2cnoc2c1 271570a_100015277604_100009817722 [0,1,0,0,0,0|3,0,0]=4 204 B13R2.449 C=C=Cc1ccc2ncoc2c1 271570a_100015277604_100009817590 [0,1,0,0,0,0|2,0,1]=4 205 B13R2.449 C=C=Cc1ccc2occc2c1 271570a_100015277604_100012343831 [0,1,0,0,0,0|2,0,1]=4 206 B13R2.449 C=C=Cc1ccc2ocnc2c1 271570a_100015277604_100009816175 [0,1,0,0,0,0|2,0,1]=4 207 B13R2.449 C=C=Cc1ccc2oncc2c1 271570a_100015277604_100009817723 [0,1,0,0,0,0|3,0,0]=4 208 B13R2.449 CC=Cc1cc2c(cn1)OCC2 271570a_100016259895_102495363667 [0,1,0,0,0,0|3,0,0]=4 209 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [0,1,0,0,0,0|3,0,0]=4 210 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [0,1,0,0,0,0|3,0,0]=4 211 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [0,1,0,0,0,0|2,0,0]=3 212 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [0,1,0,0,0,0|3,0,0]=4 213 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [0,1,0,0,0,0|2,0,0]=3 214 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [0,1,0,0,0,0|1,0,0]=2 215 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,1,0,0,0,0|2,0,1]=4 216 B13R2.449 CC=Cc1ccc2cnoc2c1 271570a_100016259895_100009817722 [0,1,0,0,0,0|3,0,0]=4 217 B13R2.449 CC=Cc1ccc2ncoc2c1 271570a_100016259895_100009817590 [0,1,0,0,0,0|2,0,1]=4 218 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,1,0,0,0,0|2,0,1]=4 219 B13R2.449 CC=Cc1ccc2ocnc2c1 271570a_100016259895_100009816175 [0,1,0,0,0,0|2,0,1]=4 220 B13R2.449 CC=Cc1ccc2oncc2c1 271570a_100016259895_100009817723 [0,1,0,0,0,0|3,0,0]=4 221 B13R2.449 CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210202 [0,1,0,0,0,0|2,0,1]=4 222 B13R2.449 CCNc1ccc2c(c1)CCO2 34a_100000736984_100000210202 [0,1,0,0,0,0|2,0,1]=4 223 B13R2.449 CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210202 [0,1,0,0,0,0|1,0,1]=3 224 B13R2.449 CCNc1ccc2c(c1)OCO2 34a_100000209953_100000210202 [0,1,0,0,0,0|1,0,1]=3 225 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,1,0,0,0,0|1,0,1]=3 226 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000210202_100000729065 [0,1,0,0,0,0|2,0,1]=4 227 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210202 [0,1,0,0,0,0|2,0,1]=4 228 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100000210202_100009818566 [0,1,0,0,0,0|2,0,1]=4 229 B13R2.449 CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210202 [0,1,0,0,0,0|2,0,1]=4 230 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [0,1,0,0,0,0|2,0,1]=4 231 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [0,1,0,0,0,0|2,0,1]=4 232 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [0,1,0,0,0,0|2,0,1]=4 233 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [0,1,0,0,0,0|2,0,1]=4 234 B13R2.449 CNCc1ccc2c(c1)OCO2 2230a_100000210006_200000210301 [0,1,0,0,0,0|1,0,1]=3 235 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100000210006_200000210301 [0,1,0,0,0,0|1,0,1]=3 236 B13R2.449 CNCc1ccc2c(c1)OCO2 34a_100102657272_100000189651 [0,1,0,0,0,0|1,0,1]=3 237 B13R2.449 CNCc1ccc2c(c1)OCO2 7a_106832991635_100000189651 [0,1,0,0,0,0|1,0,1]=3 238 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [0,1,0,0,0,0|1,0,2]=4 239 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [0,1,0,0,0,0|1,0,2]=4 240 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100000210967_200000210301 [0,1,0,0,0,0|0,0,2]=3 241 B13R2.449 COCc1ccc2c(c1)OCO2 34a_100138415774_100000189651 [0,1,0,0,0,0|0,0,2]=3 242 B13R2.449 FCNc1ccc2c(c1)CCO2 34a_100000736984_100015361967 [0,1,0,0,0,0|2,0,1]=4 243 B13R2.449 FCNc1ccc2c(c1)OCO2 34a_100000209953_100015361967 [0,1,0,0,0,0|1,0,1]=3 244 B13R2.449 FCOc1ccc2c(c1)OCO2 34a_100000210298_100015361967 [0,1,0,0,0,0|1,0,1]=3 245 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100000729065_100015361967 [0,1,0,0,0,0|2,0,1]=4 246 B13R2.449 FCSc1ccc2c(c1)CCO2 62a_100015361967_100000729065 [0,1,0,0,0,0|2,0,1]=4 247 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100009818566_100015361967 [0,1,0,0,0,0|2,0,1]=4 248 B13R2.449 FCSc1ccc2c(c1)OCC2 62a_100015361967_100009818566 [0,1,0,0,0,0|2,0,1]=4 249 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [0,1,0,0,0,0|2,0,1]=4 250 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [0,1,0,0,0,0|2,0,1]=4 251 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 2230a_100000210006_200025704644 [0,1,0,0,0,0|1,0,1]=3 252 B13R2.449 [13CH3]NCc1ccc2c(c1)OCO2 34a_100000210006_200025704644 [0,1,0,0,0,0|1,0,1]=3 253 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [0,1,0,0,0,0|1,0,2]=4 254 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [0,1,0,0,0,0|1,0,2]=4 255 B13R2.449 [13CH3]OCc1ccc2c(c1)OCO2 34a_100000210967_200025704644 [0,1,0,0,0,0|0,0,2]=3 256 B13R2.599 C=Cc1cc2c(cc1F)NCC2 271570a_100011290941_100012771920 [0,1,0,0,0,0|3,0,0]=4 257 B13R2.599 C=Cc1cc2c(cc1N)OCO2 271570a_100011290941_100012557033 [0,1,0,0,0,0|1,0,0]=2 258 B13R2.599 C=Cc1cc2c(cc1O)CCC2 271570a_100011290941_200010659162 [0,1,0,0,0,0|3,0,0]=4 259 B13R2.599 C=Cc1cc2c(cc1O)OCO2 271570a_100011290941_100010290809 [0,1,0,0,0,0|1,0,0]=2 260 B13R2.599 CNc1cc2c(cc1C)OCO2 2230a_100000066439_200000210301 [0,1,0,0,0,0|2,0,0]=3 261 B13R2.599 CNc1cc2c(cc1C)OCO2 34a_100000066439_200000210301 [0,1,0,0,0,0|2,0,0]=3 262 B13R2.599 CNc1cc2c(cc1Cl)OCO2 34a_100000234339_200000210301 [0,1,0,0,0,0|2,0,0]=3 263 B13R2.599 COc1cc2c(cc1Br)OCO2 34a_100010290809_200000210301 [0,1,0,0,0,0|2,0,0]=3 264 B13R2.599 COc1cc2c(cc1Br)OCO2 7a_100010290809_200000210301 [0,1,0,0,0,0|2,0,0]=3 265 B13R2.599 COc1cc2c(cc1C)OCO2 34a_100000145572_200000210301 [0,1,0,0,0,0|2,0,0]=3 266 B13R2.599 COc1cc2c(cc1C)OCO2 7a_100000145572_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B13R2.599 CSc1cc2c(cc1N)OCO2 62a_100012557033_200000210301 [0,1,0,0,0,0|2,0,0]=3 268 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 2230a_100000066439_200025704644 [0,1,0,0,0,0|2,0,0]=3 269 B13R2.599 Cc1cc2c(cc1N[13CH3])OCO2 34a_100000066439_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 34a_100000145572_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B13R2.599 Cc1cc2c(cc1O[13CH3])OCO2 7a_100000145572_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B13R2.599 NCc1cc2c(cc1O)OCO2 271570a_203496583355_200011199097 [0,1,0,0,0,0|1,0,1]=3 273 B13R2.599 O=Cc1cc2c(cc1O)OCO2 271570a_203496583355_100000186749 [0,1,0,0,0,0|0,0,0]=1 274 B13R2.599 OCc1cc2c(cc1O)OCO2 271570a_203496583355_100000187691 [0,1,0,0,0,0|0,0,2]=3 275 B13R2.599 [13CH3]Nc1cc2c(cc1Cl)OCO2 34a_100000234339_200025704644 [0,1,0,0,0,0|2,0,0]=3 276 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 34a_100010290809_200025704644 [0,1,0,0,0,0|2,0,0]=3 277 B13R2.599 [13CH3]Oc1cc2c(cc1Br)OCO2 7a_100010290809_200025704644 [0,1,0,0,0,0|2,0,0]=3 278 B13R2.599 [13CH3]Sc1cc2c(cc1N)OCO2 62a_100012557033_200025704644 [0,1,0,0,0,0|2,0,0]=3 279 B13R2.654 C=Cc1cc(c2occc2c1)C 271570a_100011290941_100012361858 [0,1,0,0,0,0|2,0,1]=4 280 B13R2.654 C=Cc1cc(c2occc2c1)F 271570a_100011290941_100012355474 [0,1,0,0,0,0|2,0,1]=4 281 B13R2.654 O=Cc1cc(c2c(c1)CCO2)O 271570a_203496583355_100009816904 [0,1,0,0,0,0|1,0,0]=2 282 B13R2.654 O=Cc1cc(c2c(c1)OCO2)O 271570a_203496583355_100000682445 [0,1,0,0,0,0|0,0,0]=1 283 B13R2.669 C=Cc1ccc2c(c1)C(=O)CC2 271570a_100011290941_100000759401 [0,1,0,0,0,0|3,0,0]=4 284 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,1,0,0,0,0|2,0,0]=3 285 B13R2.669 C=Cc1ccc2c(c1)C(CC2)N 271570a_100011290941_100011435097 [0,1,0,0,0,0|3,0,0]=4 286 B13R2.669 C=Cc1ccc2c(c1)C(CC2)O 271570a_100011290941_100011836024 [0,1,0,0,0,0|3,0,0]=4 287 B13R2.669 C=Cc1ccc2o[nH]c(=O)c2c1 271570a_100011290941_100000732257 [0,1,0,0,0,0|3,0,0]=4 288 B13R2.669 C=Cc1ccc2occ(c2c1)C 271570a_100011290941_100000728893 [0,1,0,0,0,0|2,0,1]=4 289 B13R2.669 C=Cc1ccc2onc(c2c1)C 271570a_100011290941_100010196875 [0,1,0,0,0,0|3,0,0]=4 290 B13R2.669 C=Cc1ccc2onc(c2c1)N 271570a_100011290941_100012356444 [0,1,0,0,0,0|3,0,0]=4 291 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,1,0,0,0,0|3,0,0]=4 292 B13R2.669 O=Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100009817145 [0,1,0,0,0,0|3,0,0]=4 293 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,1,0,0,0,0|3,0,0]=4 294 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,1,0,0,0,0|2,0,1]=4 295 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)N 271570a_100011290941_100015193702 [0,1,0,0,0,0|3,0,0]=4 296 B13R2.2121 C=Cc1ccc2c(c1)CC(C2)O 271570a_100011290941_100010161096 [0,1,0,0,0,0|3,0,0]=4 297 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [0,1,0,0,0,0|2,0,1]=4 298 B13R2.2121 C=Cc1ccc2nc(oc2c1)N 271570a_100011290941_100010000678 [0,1,0,0,0,0|2,0,1]=4 299 B13R2.2121 C=Cc1ccc2oc(=O)[nH]c2c1 271570a_100011290941_100000764829 [0,1,0,0,0,0|2,0,1]=4 300 B13R2.2121 C=Cc1ccc2oc(nc2c1)C 271570a_100011290941_100009816932 [0,1,0,0,0,0|2,0,1]=4 301 B13R2.2121 C=Cc1ccc2oc(nc2c1)N 271570a_100011290941_100000737949 [0,1,0,0,0,0|2,0,1]=4 302 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 2230a_100102713350_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 34a_100102713350_200025704644 [0,1,0,0,0,0|3,0,0]=4 304 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 2230a_100102713350_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 34a_100102713350_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B13R2.2121 O=Cc1ccc2nc(sc2c1)O 271570a_203496583355_200010272093 [0,1,0,0,0,0|1,1,1]=4 307 B13R2.2130 C=Cc1ccc2c(c1)CCC2=O 271570a_100011290941_100000737041 [0,1,0,0,0,0|3,0,0]=4 308 B13R2.2130 C=Cc1ccc2c(c1)CCC2N 271570a_100011290941_100000744021 [0,1,0,0,0,0|3,0,0]=4 309 B13R2.2130 C=Cc1ccc2c(c1)CCC2O 271570a_100011290941_100000747877 [0,1,0,0,0,0|3,0,0]=4 310 B13R2.2130 C=Cc1ccc2c(c1)CCN2C 271570a_100011290941_100009815432 [0,1,0,0,0,0|3,0,0]=4 311 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,0,0,0|2,0,0]=3 312 B13R2.2130 C=Cc1ccc2c(c1)OCC2N 271570a_100011290941_100020628175 [0,1,0,0,0,0|2,0,0]=3 313 B13R2.2130 C=Cc1ccc2c(coc2c1)C 271570a_100011290941_100010775837 [0,1,0,0,0,0|2,0,1]=4 314 B13R2.2130 C=Cc1ccc2c(noc2c1)C 271570a_100011290941_100009815287 [0,1,0,0,0,0|3,0,0]=4 315 B13R2.2130 C=Cc1ccc2c(noc2c1)N 271570a_100011290941_100012356334 [0,1,0,0,0,0|3,0,0]=4 316 B13R2.2130 C=Cc1ccc2c(noc2c1)O 271570a_100011290941_100000727085 [0,1,0,0,0,0|3,0,0]=4 317 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,0,0,0|3,0,0]=4 318 B13R2.2130 CSc1ccc2c(c1)OCC2N 62a_100020628175_200000210301 [0,1,0,0,0,0|3,0,0]=4 319 B13R2.2130 CSc1ccc2c(c1)OCC2N 62a_200000210301_100020628175 [0,1,0,0,0,0|3,0,0]=4 320 B13R2.2130 O=Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100010231508 [0,1,0,0,0,0|3,0,0]=4 321 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,0,0,0|3,0,0]=4 322 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2N 62a_100020628175_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2N 62a_200025704644_100020628175 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [0,0,1,0,0,0|2,0,1]=4 325 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [0,0,1,0,0,0|3,0,0]=4 326 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [0,0,1,0,0,0|3,0,0]=4 327 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [0,0,1,0,0,0|2,0,0]=3 328 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [0,0,1,0,0,0|3,0,0]=4 329 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [0,0,1,0,0,0|3,0,0]=4 330 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [0,0,1,0,0,0|3,0,0]=4 331 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [0,0,1,0,0,0|2,0,0]=3 332 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [0,0,1,0,0,0|2,0,0]=3 333 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [0,0,1,0,0,0|2,0,0]=3 334 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [0,0,1,0,0,0|2,0,0]=3 335 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [0,0,1,0,0,0|2,0,0]=3 336 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [0,0,1,0,0,0|2,1,0]=4 337 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [0,0,1,0,0,0|2,1,0]=4 338 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [0,0,1,0,0,0|2,1,0]=4 339 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [0,0,1,0,0,0|2,1,0]=4 340 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [0,0,1,0,0,0|2,1,0]=4 341 B11R1.83 C=Cc1ccc(cn1)CCO 271570a_100011290941_100009880866 [0,0,1,0,0,0|3,0,0]=4 342 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [0,0,1,0,0,0|3,0,0]=4 343 B11R1.83 C=Cc1ccc(nc1)CCO 271570a_100011290941_100012357577 [0,0,1,0,0,0|3,0,0]=4 344 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [0,0,1,0,0,0|3,0,0]=4 345 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,0,1,0,0,0|2,0,1]=4 346 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [0,0,1,0,0,0|2,0,1]=4 347 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [0,0,1,0,0,0|2,0,1]=4 348 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [0,0,1,0,0,0|2,0,1]=4 349 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [0,0,1,0,0,0|2,0,1]=4 350 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [0,0,1,0,0,0|2,0,1]=4 351 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [0,0,1,0,0,0|1,0,2]=4 352 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [0,0,1,0,0,0|3,0,0]=4 353 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [0,0,1,0,0,0|3,0,0]=4 354 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [0,0,1,0,0,0|3,0,0]=4 355 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [0,0,1,0,0,0|3,0,0]=4 356 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [0,0,1,0,0,0|3,0,0]=4 357 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,0,1,0,0,0|3,0,0]=4 358 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,0,1,0,0,0|3,0,0]=4 359 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,0,1,0,0,0|3,0,0]=4 360 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [0,0,1,0,0,0|3,0,0]=4 361 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [0,0,1,0,0,0|3,0,0]=4 362 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [0,0,1,0,0,0|3,0,0]=4 363 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [0,0,1,0,0,0|1,1,0]=3 364 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [0,0,1,0,0,0|1,1,0]=3 365 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [0,0,1,0,0,0|2,1,0]=4 366 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [0,0,1,0,0,0|2,1,0]=4 367 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [0,0,1,0,0,0|2,1,0]=4 368 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [0,0,1,0,0,0|2,1,0]=4 369 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [0,0,1,0,0,0|2,0,1]=4 370 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [0,0,1,0,0,0|2,0,1]=4 371 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [0,0,1,0,0,0|3,0,0]=4 372 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [0,0,1,0,0,0|3,0,0]=4 373 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [0,0,1,0,0,0|3,0,0]=4 374 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [0,0,1,0,0,0|3,0,0]=4 375 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [0,0,1,0,0,0|3,0,0]=4 376 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [0,0,1,0,0,0|3,0,0]=4 377 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,0,1,0,0,0|3,0,0]=4 378 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [0,0,1,0,0,0|3,0,0]=4 379 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [0,0,1,0,0,0|3,0,0]=4 380 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [0,0,1,0,0,0|3,0,0]=4 381 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [0,0,1,0,0,0|3,0,0]=4 382 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [0,0,1,0,0,0|3,0,0]=4 383 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [0,0,1,0,0,0|3,0,0]=4 384 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [0,0,1,0,0,0|3,0,0]=4 385 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [0,0,1,0,0,0|3,0,0]=4 386 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [0,0,1,0,0,0|2,0,1]=4 387 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [0,0,1,0,0,0|2,0,1]=4 388 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [0,0,1,0,0,0|2,0,1]=4 389 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [0,0,1,0,0,0|1,1,0]=3 390 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [0,0,1,0,0,0|1,1,0]=3 391 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100000754260_100015361967 [0,0,1,0,0,0|2,1,0]=4 392 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100015361967_100000754260 [0,0,1,0,0,0|2,1,0]=4 393 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100000766901_100015361967 [0,0,1,0,0,0|2,1,0]=4 394 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100015361967_100000766901 [0,0,1,0,0,0|2,1,0]=4 395 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [0,0,1,0,0,0|1,0,2]=4 396 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [0,0,1,0,0,0|3,0,0]=4 397 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [0,0,1,0,0,0|3,0,0]=4 398 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [0,0,1,0,0,0|3,0,0]=4 399 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [0,0,1,0,0,0|3,0,0]=4 400 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [0,0,1,0,0,0|3,0,0]=4 401 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [0,0,1,0,0,0|3,0,0]=4 402 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [0,0,1,0,0,0|3,0,0]=4 403 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [0,0,1,0,0,0|3,0,0]=4 404 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [0,0,1,0,0,0|2,0,1]=4 405 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [0,0,1,0,0,0|2,0,1]=4 406 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [0,0,1,0,0,0|2,0,1]=4 407 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [0,0,1,0,0,0|2,0,1]=4 408 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [0,0,1,0,0,0|2,0,1]=4 409 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [0,0,1,0,0,0|3,0,0]=4 410 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [0,0,1,0,0,0|3,0,0]=4 411 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [0,0,1,0,0,0|3,0,0]=4 412 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [0,0,1,0,0,0|2,0,0]=3 413 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [0,0,1,0,0,0|3,0,0]=4 414 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [0,0,1,0,0,0|3,0,0]=4 415 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [0,0,1,0,0,0|3,0,0]=4 416 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [0,0,1,0,0,0|2,0,0]=3 417 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [0,0,1,0,0,0|2,0,0]=3 418 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [0,0,1,0,0,0|2,0,0]=3 419 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [0,0,1,0,0,0|2,0,0]=3 420 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [0,0,1,0,0,0|2,0,0]=3 421 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [0,0,1,0,0,0|2,1,0]=4 422 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [0,0,1,0,0,0|2,1,0]=4 423 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [0,0,1,0,0,0|2,1,0]=4 424 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [0,0,1,0,0,0|2,1,0]=4 425 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [0,0,1,0,0,0|2,1,0]=4 426 B11R1.189 C=Cc1cccc(n1)CCO 271570a_100011290941_100010221043 [0,0,1,0,0,0|3,0,0]=4 427 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [0,0,1,0,0,0|3,0,0]=4 428 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [0,0,1,0,0,0|3,0,0]=4 429 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [0,0,1,0,0,0|3,0,0]=4 430 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [0,0,1,0,0,0|2,0,1]=4 431 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [0,0,1,0,0,0|2,0,1]=4 432 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [0,0,1,0,0,0|2,0,1]=4 433 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [0,0,1,0,0,0|2,0,1]=4 434 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [0,0,1,0,0,0|2,0,1]=4 435 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [0,0,1,0,0,0|2,0,1]=4 436 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [0,0,1,0,0,0|2,0,1]=4 437 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [0,0,1,0,0,0|2,0,1]=4 438 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [0,0,1,0,0,0|2,0,1]=4 439 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [0,0,1,0,0,0|2,0,1]=4 440 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [0,0,1,0,0,0|1,0,2]=4 441 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [0,0,1,0,0,0|1,0,2]=4 442 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [0,0,1,0,0,0|3,0,0]=4 443 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [0,0,1,0,0,0|3,0,0]=4 444 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [0,0,1,0,0,0|3,0,0]=4 445 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [0,0,1,0,0,0|3,0,0]=4 446 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [0,0,1,0,0,0|3,0,0]=4 447 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [0,0,1,0,0,0|3,0,0]=4 448 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [0,0,1,0,0,0|3,0,0]=4 449 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [0,0,1,0,0,0|3,0,0]=4 450 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [0,0,1,0,0,0|3,0,0]=4 451 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [0,0,1,0,0,0|3,0,0]=4 452 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [0,0,1,0,0,0|3,0,0]=4 453 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [0,0,1,0,0,0|3,0,0]=4 454 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [0,0,1,0,0,0|3,0,0]=4 455 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [0,0,1,0,0,0|3,0,0]=4 456 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [0,0,1,0,0,0|3,0,0]=4 457 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [0,0,1,0,0,0|3,0,0]=4 458 B11R1.189 CCSc1cc(ccn1)C=O 62a_100000210202_100011290808 [0,0,1,0,0,0|2,1,0]=4 459 B11R1.189 CCSc1cc(ccn1)C=O 62a_100011290808_100000210202 [0,0,1,0,0,0|2,1,0]=4 460 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [0,0,1,0,0,0|1,1,0]=3 461 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [0,0,1,0,0,0|1,1,0]=3 462 B11R1.189 CCSc1cccc(n1)C=O 62a_100000210202_100000688028 [0,0,1,0,0,0|2,1,0]=4 463 B11R1.189 CCSc1cccc(n1)C=O 62a_100000688028_100000210202 [0,0,1,0,0,0|2,1,0]=4 464 B11R1.189 CCSc1ccnc(c1)C=O 62a_100000210202_100011998288 [0,0,1,0,0,0|2,1,0]=4 465 B11R1.189 CCSc1ccnc(c1)C=O 62a_100011998288_100000210202 [0,0,1,0,0,0|2,1,0]=4 466 B11R1.189 CCSc1cncc(c1)C=O 62a_100000210202_100000687066 [0,0,1,0,0,0|2,1,0]=4 467 B11R1.189 CCSc1cncc(c1)C=O 62a_100000687066_100000210202 [0,0,1,0,0,0|2,1,0]=4 468 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [0,0,1,0,0,0|2,0,1]=4 469 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [0,0,1,0,0,0|2,0,1]=4 470 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [0,0,1,0,0,0|3,0,0]=4 471 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [0,0,1,0,0,0|3,0,0]=4 472 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [0,0,1,0,0,0|3,0,0]=4 473 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [0,0,1,0,0,0|3,0,0]=4 474 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [0,0,1,0,0,0|3,0,0]=4 475 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [0,0,1,0,0,0|3,0,0]=4 476 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [0,0,1,0,0,0|3,0,0]=4 477 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [0,0,1,0,0,0|3,0,0]=4 478 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [0,0,1,0,0,0|3,0,0]=4 479 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [0,0,1,0,0,0|3,0,0]=4 480 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [0,0,1,0,0,0|3,0,0]=4 481 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [0,0,1,0,0,0|3,0,0]=4 482 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [0,0,1,0,0,0|3,0,0]=4 483 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [0,0,1,0,0,0|3,0,0]=4 484 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [0,0,1,0,0,0|3,0,0]=4 485 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [0,0,1,0,0,0|3,0,0]=4 486 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [0,0,1,0,0,0|3,0,0]=4 487 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [0,0,1,0,0,0|3,0,0]=4 488 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [0,0,1,0,0,0|2,0,1]=4 489 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [0,0,1,0,0,0|2,0,1]=4 490 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [0,0,1,0,0,0|2,0,1]=4 491 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [0,0,1,0,0,0|2,0,1]=4 492 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [0,0,1,0,0,0|2,0,1]=4 493 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [0,0,1,0,0,0|2,0,1]=4 494 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [0,0,1,0,0,0|2,0,1]=4 495 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100011998288_100015361967 [0,0,1,0,0,0|2,1,0]=4 496 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100015361967_100011998288 [0,0,1,0,0,0|2,1,0]=4 497 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [0,0,1,0,0,0|1,1,0]=3 498 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [0,0,1,0,0,0|1,1,0]=3 499 B11R1.189 O=Cc1cccc(n1)SCF 62a_100000688028_100015361967 [0,0,1,0,0,0|2,1,0]=4 500 B11R1.189 O=Cc1cccc(n1)SCF 62a_100015361967_100000688028 [0,0,1,0,0,0|2,1,0]=4 501 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100011290808_100015361967 [0,0,1,0,0,0|2,1,0]=4 502 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100015361967_100011290808 [0,0,1,0,0,0|2,1,0]=4 503 B11R1.189 O=Cc1cncc(c1)SCF 62a_100000687066_100015361967 [0,0,1,0,0,0|2,1,0]=4 504 B11R1.189 O=Cc1cncc(c1)SCF 62a_100015361967_100000687066 [0,0,1,0,0,0|2,1,0]=4 505 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [0,0,1,0,0,0|1,0,2]=4 506 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [0,0,1,0,0,0|1,0,2]=4 507 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [0,0,1,0,0,0|3,0,0]=4 508 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [0,0,1,0,0,0|3,0,0]=4 509 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [0,0,1,0,0,0|3,0,0]=4 510 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [0,0,1,0,0,0|3,0,0]=4 511 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [0,0,1,0,0,0|3,0,0]=4 512 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [0,0,1,0,0,0|3,0,0]=4 513 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [0,0,1,0,0,0|3,0,0]=4 514 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [0,0,1,0,0,0|3,0,0]=4 515 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [0,0,1,0,0,0|3,0,0]=4 516 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [0,0,1,0,0,0|2,0,0]=3 517 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [0,0,1,0,0,0|2,0,0]=3 518 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [0,0,1,0,0,0|3,0,0]=4 519 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [0,0,1,0,0,0|2,0,0]=3 520 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [0,0,1,0,0,0|2,0,0]=3 521 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [0,0,1,0,0,0|2,1,0]=4 522 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [0,0,1,0,0,0|3,0,0]=4 523 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [0,0,1,0,0,0|3,0,0]=4 524 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [0,0,1,0,0,0|2,0,0]=3 525 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [0,0,1,0,0,0|2,1,0]=4 526 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [0,0,1,0,0,0|3,0,0]=4 527 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [0,0,1,0,0,0|3,0,0]=4 528 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [0,0,1,0,0,0|2,0,0]=3 529 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [0,0,1,0,0,0|3,0,0]=4 530 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [0,0,1,0,0,0|3,0,0]=4 531 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [0,0,1,0,0,0|3,0,0]=4 532 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [0,0,1,0,0,0|1,0,0]=2 533 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [0,0,1,0,0,0|3,0,0]=4 534 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [0,0,1,0,0,0|3,0,0]=4 535 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [0,0,1,0,0,0|3,0,0]=4 536 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [0,0,1,0,0,0|3,0,0]=4 537 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [0,0,1,0,0,0|3,0,0]=4 538 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [0,0,1,0,0,0|2,0,1]=4 539 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [0,0,1,0,0,0|2,0,1]=4 540 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [0,0,1,0,0,0|1,0,1]=3 541 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [0,0,1,0,0,0|3,0,0]=4 542 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [0,0,1,0,0,0|3,0,0]=4 543 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [0,0,1,0,0,0|3,0,0]=4 544 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [0,0,1,0,0,0|3,0,0]=4 545 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [0,0,1,0,0,0|2,0,0]=3 546 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [0,0,1,0,0,0|2,0,1]=4 547 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [0,0,1,0,0,0|2,0,1]=4 548 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [0,0,1,0,0,0|2,0,1]=4 549 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [0,0,1,0,0,0|2,0,1]=4 550 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [0,0,1,0,0,0|2,0,1]=4 551 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [0,0,1,0,0,0|2,0,1]=4 552 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [0,0,1,0,0,0|2,0,1]=4 553 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [0,0,1,0,0,0|2,0,1]=4 554 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [0,0,1,0,0,0|2,0,1]=4 555 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [0,0,1,0,0,0|2,0,1]=4 556 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [0,0,1,0,0,0|1,0,1]=3 557 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [0,0,1,0,0,0|3,0,0]=4 558 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [0,0,1,0,0,0|3,0,0]=4 559 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [0,0,1,0,0,0|3,0,0]=4 560 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [0,0,1,0,0,0|3,0,0]=4 561 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [0,0,1,0,0,0|3,0,0]=4 562 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [0,0,1,0,0,0|3,0,0]=4 563 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [0,0,1,0,0,0|3,0,0]=4 564 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [0,0,1,0,0,0|3,0,0]=4 565 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [0,0,1,0,0,0|3,0,0]=4 566 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [0,0,1,0,0,0|2,0,0]=3 567 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [0,0,1,0,0,0|2,0,0]=3 568 B11R1.279 CNc1ccc(cc1O)C#N 271570a_203496583355_200020994358 [0,0,1,0,0,0|2,0,1]=4 569 B11R1.279 CNc1ccc(cc1O)C#N 34a_100011997735_200000210301 [0,0,1,0,0,0|2,0,1]=4 570 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [0,0,1,0,0,0|1,0,0]=2 571 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [0,0,1,0,0,0|3,0,0]=4 572 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [0,0,1,0,0,0|3,0,0]=4 573 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [0,0,1,0,0,0|3,0,0]=4 574 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [0,0,1,0,0,0|3,0,0]=4 575 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [0,0,1,0,0,0|3,0,0]=4 576 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [0,0,1,0,0,0|3,0,0]=4 577 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [0,0,1,0,0,0|3,0,0]=4 578 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [0,0,1,0,0,0|3,0,0]=4 579 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [0,0,1,0,0,0|3,0,0]=4 580 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [0,0,1,0,0,0|3,0,0]=4 581 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [0,0,1,0,0,0|3,0,0]=4 582 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [0,0,1,0,0,0|3,0,0]=4 583 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [0,0,1,0,0,0|3,0,0]=4 584 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [0,0,1,0,0,0|3,0,0]=4 585 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [0,0,1,0,0,0|3,0,0]=4 586 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [0,0,1,0,0,0|3,0,0]=4 587 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [0,0,1,0,0,0|3,0,0]=4 588 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [0,0,1,0,0,0|3,0,0]=4 589 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [0,0,1,0,0,0|3,0,0]=4 590 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [0,0,1,0,0,0|3,0,0]=4 591 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [0,0,1,0,0,0|3,0,0]=4 592 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [0,0,1,0,0,0|3,0,0]=4 593 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [0,0,1,0,0,0|3,0,0]=4 594 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [0,0,1,0,0,0|3,0,0]=4 595 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [0,0,1,0,0,0|3,0,0]=4 596 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [0,0,1,0,0,0|3,0,0]=4 597 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [0,0,1,0,0,0|3,0,0]=4 598 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [0,0,1,0,0,0|3,0,0]=4 599 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [0,0,1,0,0,0|3,0,0]=4 600 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [0,0,1,0,0,0|3,0,0]=4 601 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [0,0,1,0,0,0|2,0,0]=3 602 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [0,0,1,0,0,0|2,1,0]=4 603 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [0,0,1,0,0,0|2,1,0]=4 604 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [0,0,1,0,0,0|2,0,1]=4 605 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [0,0,1,0,0,0|2,0,1]=4 606 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [0,0,1,0,0,0|1,0,2]=4 607 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [0,0,1,0,0,0|1,0,2]=4 608 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [0,0,1,0,0,0|3,0,0]=4 609 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [0,0,1,0,0,0|3,0,0]=4 610 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [0,0,1,0,0,0|3,0,0]=4 611 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [0,0,1,0,0,0|3,0,0]=4 612 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [0,0,1,0,0,0|3,0,0]=4 613 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [0,0,1,0,0,0|3,0,0]=4 614 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [0,0,1,0,0,0|3,0,0]=4 615 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [0,0,1,0,0,0|2,0,1]=4 616 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [0,0,1,0,0,0|2,0,1]=4 617 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [0,0,1,0,0,0|1,0,2]=4 618 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [0,0,1,0,0,0|1,0,2]=4 619 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [0,0,1,0,0,0|3,0,0]=4 620 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [0,0,1,0,0,0|3,0,0]=4 621 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [0,0,1,0,0,0|3,0,0]=4 622 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [0,0,1,0,0,0|3,0,0]=4 623 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [0,0,1,0,0,0|3,0,0]=4 624 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [0,0,1,0,0,0|3,0,0]=4 625 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [0,0,1,0,0,0|3,0,0]=4 626 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [0,0,1,0,0,0|3,0,0]=4 627 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [0,0,1,0,0,0|3,0,0]=4 628 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [0,0,1,0,0,0|2,0,1]=4 629 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [0,0,1,0,0,0|2,0,1]=4 630 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [0,0,1,0,0,0|3,0,0]=4 631 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [0,0,1,0,0,0|3,0,0]=4 632 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [0,0,1,0,0,0|3,0,0]=4 633 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [0,0,1,0,0,0|3,0,0]=4 634 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [0,0,1,0,0,0|3,0,0]=4 635 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [0,0,1,0,0,0|3,0,0]=4 636 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [0,0,1,0,0,0|3,0,0]=4 637 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [0,0,1,0,0,0|3,0,0]=4 638 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [0,0,1,0,0,0|2,0,1]=4 639 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [0,0,1,0,0,0|2,0,1]=4 640 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [0,0,1,0,0,0|2,0,1]=4 641 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [0,0,1,0,0,0|3,0,0]=4 642 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [0,0,1,0,0,0|3,0,0]=4 643 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [0,0,1,0,0,0|3,0,0]=4 644 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [0,0,1,0,0,0|3,0,0]=4 645 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [0,0,1,0,0,0|3,0,0]=4 646 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [0,0,1,0,0,0|3,0,0]=4 647 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [0,0,1,0,0,0|3,0,0]=4 648 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [0,0,1,0,0,0|3,0,0]=4 649 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [0,0,1,0,0,0|2,0,1]=4 650 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [0,0,1,0,0,0|2,0,1]=4 651 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [0,0,1,0,0,0|3,0,0]=4 652 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [0,0,1,0,0,0|3,0,0]=4 653 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [0,0,1,0,0,0|3,0,0]=4 654 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [0,0,1,0,0,0|2,0,1]=4 655 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [0,0,1,0,0,0|2,0,1]=4 656 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [0,0,1,0,0,0|1,0,2]=4 657 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [0,0,1,0,0,0|3,0,0]=4 658 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [0,0,1,0,0,0|3,0,0]=4 659 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [0,0,1,0,0,0|3,0,0]=4 660 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [0,0,1,0,0,0|3,0,0]=4 661 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [0,0,1,0,0,0|1,0,1]=3 662 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [0,0,1,0,0,0|0,0,0]=1 663 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [0,0,1,0,0,0|1,0,1]=3 664 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [0,0,1,0,0,0|0,0,2]=3 665 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [0,0,1,0,0,0|2,0,0]=3 666 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [0,0,1,0,0,0|2,0,0]=3 667 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [0,0,1,0,0,0|2,0,0]=3 668 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [0,0,1,0,0,0|1,0,0]=2 669 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [0,0,1,0,0,0|1,0,2]=4 670 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [0,0,1,0,0,0|1,0,0]=2 671 B11R1.279 COc1cnc(cc1O)SC 62a_200000210301_100010264082 [0,0,1,0,0,0|3,0,0]=4 672 B11R1.279 COc1cnc(cc1O)S[13CH3] 62a_200025704644_100010264082 [0,0,1,0,0,0|3,0,0]=4 673 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [0,0,1,0,0,0|1,0,0]=2 674 B11R1.279 COc1ncc(cc1O)SC 62a_200000210301_100010135713 [0,0,1,0,0,0|3,0,0]=4 675 B11R1.279 COc1ncc(cc1O)S[13CH3] 62a_200025704644_100010135713 [0,0,1,0,0,0|3,0,0]=4 676 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [0,0,1,0,0,0|1,1,0]=3 677 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [0,0,1,0,0,0|1,1,0]=3 678 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [0,0,1,0,0,0|1,1,0]=3 679 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [0,0,1,0,0,0|1,1,0]=3 680 B11R1.279 CSc1ccc(cc1O)C#N 62a_200000210301_100009877741 [0,0,1,0,0,0|1,1,1]=4 681 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [0,0,1,0,0,0|0,1,0]=2 682 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [0,0,1,0,0,0|0,1,0]=2 683 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [0,0,1,0,0,0|0,1,2]=4 684 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [0,0,1,0,0,0|0,1,2]=4 685 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [0,0,1,0,0,0|2,1,0]=4 686 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [0,0,1,0,0,0|2,1,0]=4 687 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [0,0,1,0,0,0|2,1,0]=4 688 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [0,0,1,0,0,0|2,1,0]=4 689 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [0,0,1,0,0,0|2,1,0]=4 690 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [0,0,1,0,0,0|2,1,0]=4 691 B11R1.279 CSc1ncc(cc1F)C=O 62a_100009866847_200000210301 [0,0,1,0,0,0|2,1,0]=4 692 B11R1.279 CSc1ncc(cc1F)C=O 62a_200000210301_100009866847 [0,0,1,0,0,0|2,1,0]=4 693 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [0,0,1,0,0,0|2,0,1]=4 694 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [0,0,1,0,0,0|2,0,1]=4 695 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [0,0,1,0,0,0|1,0,2]=4 696 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [0,0,1,0,0,0|1,0,2]=4 697 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [0,0,1,0,0,0|1,1,0]=3 698 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [0,0,1,0,0,0|1,1,0]=3 699 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [0,0,1,0,0,0|2,1,0]=4 700 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [0,0,1,0,0,0|2,1,0]=4 701 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [0,0,1,0,0,0|2,1,0]=4 702 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [0,0,1,0,0,0|2,1,0]=4 703 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [0,0,1,0,0,0|2,1,0]=4 704 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [0,0,1,0,0,0|2,1,0]=4 705 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [0,0,1,0,0,0|2,0,0]=3 706 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [0,0,1,0,0,0|2,0,0]=3 707 B11R1.279 [13CH3]Nc1ccc(cc1O)C#N 34a_100011997735_200025704644 [0,0,1,0,0,0|2,0,1]=4 708 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [0,0,1,0,0,0|2,0,1]=4 709 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [0,0,1,0,0,0|2,0,1]=4 710 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [0,0,1,0,0,0|1,0,2]=4 711 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [0,0,1,0,0,0|1,0,2]=4 712 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [0,0,1,0,0,0|2,0,1]=4 713 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [0,0,1,0,0,0|2,0,1]=4 714 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [0,0,1,0,0,0|2,0,1]=4 715 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [0,0,1,0,0,0|2,0,1]=4 716 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [0,0,1,0,0,0|2,0,1]=4 717 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [0,0,1,0,0,0|2,0,1]=4 718 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [0,0,1,0,0,0|2,0,1]=4 719 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [0,0,1,0,0,0|2,0,1]=4 720 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [0,0,1,0,0,0|2,0,1]=4 721 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [0,0,1,0,0,0|1,0,2]=4 722 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [0,0,1,0,0,0|1,1,0]=3 723 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [0,0,1,0,0,0|1,1,0]=3 724 B11R1.279 [13CH3]Sc1ccc(cc1O)C#N 62a_200025704644_100009877741 [0,0,1,0,0,0|1,1,1]=4 725 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [0,0,1,0,0,0|0,1,0]=2 726 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [0,0,1,0,0,0|0,1,0]=2 727 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [0,0,1,0,0,0|0,1,2]=4 728 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [0,0,1,0,0,0|0,1,2]=4 729 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_100009866847_200025704644 [0,0,1,0,0,0|2,1,0]=4 730 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_200025704644_100009866847 [0,0,1,0,0,0|2,1,0]=4 731 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [0,0,1,0,0,0|2,0,1]=4 732 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [0,0,1,0,0,0|3,0,0]=4 733 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [0,0,1,0,0,0|3,0,0]=4 734 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [0,0,1,0,0,0|3,0,0]=4 735 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [0,0,1,0,0,0|2,0,1]=4 736 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [0,0,1,0,0,0|2,0,1]=4 737 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [0,0,1,0,0,0|2,0,1]=4 738 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [0,0,1,0,0,0|2,0,1]=4 739 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [0,0,1,0,0,0|1,0,1]=3 740 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [0,0,1,0,0,0|2,0,1]=4 741 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [0,0,1,0,0,0|3,0,0]=4 742 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [0,0,1,0,0,0|3,0,0]=4 743 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [0,0,1,0,0,0|3,0,0]=4 744 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [0,0,1,0,0,0|3,0,0]=4 745 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [0,0,1,0,0,0|3,0,0]=4 746 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [0,0,1,0,0,0|2,0,0]=3 747 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [0,0,1,0,0,0|3,0,0]=4 748 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [0,0,1,0,0,0|3,0,0]=4 749 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [0,0,1,0,0,0|3,0,0]=4 750 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [0,0,1,0,0,0|3,0,0]=4 751 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [0,0,1,0,0,0|3,0,0]=4 752 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [0,0,1,0,0,0|2,0,0]=3 753 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [0,0,1,0,0,0|2,0,0]=3 754 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [0,0,1,0,0,0|2,0,0]=3 755 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [0,0,1,0,0,0|2,0,0]=3 756 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [0,0,1,0,0,0|2,0,0]=3 757 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [0,0,1,0,0,0|1,0,0]=2 758 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [0,0,1,0,0,0|2,1,0]=4 759 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [0,0,1,0,0,0|3,0,0]=4 760 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [0,0,1,0,0,0|2,0,0]=3 761 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [0,0,1,0,0,0|3,0,0]=4 762 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [0,0,1,0,0,0|3,0,0]=4 763 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [0,0,1,0,0,0|3,0,0]=4 764 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [0,0,1,0,0,0|3,0,0]=4 765 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [0,0,1,0,0,0|2,0,1]=4 766 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [0,0,1,0,0,0|3,0,0]=4 767 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [0,0,1,0,0,0|3,0,0]=4 768 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [0,0,1,0,0,0|3,0,0]=4 769 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [0,0,1,0,0,0|2,0,1]=4 770 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [0,0,1,0,0,0|2,0,1]=4 771 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [0,0,1,0,0,0|2,0,1]=4 772 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [0,0,1,0,0,0|2,0,1]=4 773 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [0,0,1,0,0,0|1,0,1]=3 774 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [0,0,1,0,0,0|2,0,1]=4 775 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [0,0,1,0,0,0|2,0,1]=4 776 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [0,0,1,0,0,0|1,1,1]=4 777 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [0,0,1,0,0,0|1,1,1]=4 778 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [0,0,1,0,0,0|1,1,1]=4 779 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [0,0,1,0,0,0|1,1,1]=4 780 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [0,0,1,0,0,0|2,0,1]=4 781 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [0,0,1,0,0,0|2,0,1]=4 782 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [0,0,1,0,0,0|1,0,2]=4 783 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [0,0,1,0,0,0|3,0,0]=4 784 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [0,0,1,0,0,0|3,0,0]=4 785 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [0,0,1,0,0,0|3,0,0]=4 786 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [0,0,1,0,0,0|3,0,0]=4 787 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [0,0,1,0,0,0|3,0,0]=4 788 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [0,0,1,0,0,0|3,0,0]=4 789 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [0,0,1,0,0,0|3,0,0]=4 790 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [0,0,1,0,0,0|3,0,0]=4 791 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [0,0,1,0,0,0|3,0,0]=4 792 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [0,0,1,0,0,0|3,0,0]=4 793 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [0,0,1,0,0,0|2,0,0]=3 794 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [0,0,1,0,0,0|3,0,0]=4 795 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [0,0,1,0,0,0|2,0,1]=4 796 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [0,0,1,0,0,0|2,0,1]=4 797 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [0,0,1,0,0,0|1,0,2]=4 798 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [0,0,1,0,0,0|1,0,2]=4 799 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [0,0,1,0,0,0|3,0,0]=4 800 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [0,0,1,0,0,0|3,0,0]=4 801 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [0,0,1,0,0,0|3,0,0]=4 802 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [0,0,1,0,0,0|3,0,0]=4 803 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [0,0,1,0,0,0|3,0,0]=4 804 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [0,0,1,0,0,0|3,0,0]=4 805 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [0,0,1,0,0,0|3,0,0]=4 806 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [0,0,1,0,0,0|3,0,0]=4 807 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [0,0,1,0,0,0|2,0,1]=4 808 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [0,0,1,0,0,0|2,0,1]=4 809 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [0,0,1,0,0,0|3,0,0]=4 810 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [0,0,1,0,0,0|3,0,0]=4 811 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [0,0,1,0,0,0|3,0,0]=4 812 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [0,0,1,0,0,0|3,0,0]=4 813 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [0,0,1,0,0,0|3,0,0]=4 814 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [0,0,1,0,0,0|3,0,0]=4 815 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [0,0,1,0,0,0|3,0,0]=4 816 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [0,0,1,0,0,0|3,0,0]=4 817 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [0,0,1,0,0,0|2,0,1]=4 818 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [0,0,1,0,0,0|2,0,1]=4 819 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [0,0,1,0,0,0|2,0,1]=4 820 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [0,0,1,0,0,0|1,0,2]=4 821 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [0,0,1,0,0,0|1,0,2]=4 822 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [0,0,1,0,0,0|3,0,0]=4 823 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [0,0,1,0,0,0|3,0,0]=4 824 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [0,0,1,0,0,0|3,0,0]=4 825 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [0,0,1,0,0,0|3,0,0]=4 826 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [0,0,1,0,0,0|3,0,0]=4 827 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [0,0,1,0,0,0|3,0,0]=4 828 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [0,0,1,0,0,0|3,0,0]=4 829 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [0,0,1,0,0,0|3,0,0]=4 830 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [0,0,1,0,0,0|2,0,1]=4 831 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [0,0,1,0,0,0|2,0,1]=4 832 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [0,0,1,0,0,0|2,0,1]=4 833 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [0,0,1,0,0,0|1,0,2]=4 834 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [0,0,1,0,0,0|1,0,2]=4 835 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [0,0,1,0,0,0|3,0,0]=4 836 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [0,0,1,0,0,0|3,0,0]=4 837 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [0,0,1,0,0,0|3,0,0]=4 838 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [0,0,1,0,0,0|3,0,0]=4 839 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [0,0,1,0,0,0|3,0,0]=4 840 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [0,0,1,0,0,0|3,0,0]=4 841 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [0,0,1,0,0,0|3,0,0]=4 842 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [0,0,1,0,0,0|3,0,0]=4 843 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [0,0,1,0,0,0|2,0,1]=4 844 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [0,0,1,0,0,0|2,0,1]=4 845 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [0,0,1,0,0,0|1,0,2]=4 846 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [0,0,1,0,0,0|1,0,2]=4 847 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [0,0,1,0,0,0|3,0,0]=4 848 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [0,0,1,0,0,0|2,0,1]=4 849 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [0,0,1,0,0,0|2,0,1]=4 850 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [0,0,1,0,0,0|3,0,0]=4 851 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [0,0,1,0,0,0|3,0,0]=4 852 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [0,0,1,0,0,0|3,0,0]=4 853 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [0,0,1,0,0,0|3,0,0]=4 854 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [0,0,1,0,0,0|3,0,0]=4 855 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [0,0,1,0,0,0|3,0,0]=4 856 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [0,0,1,0,0,0|1,0,1]=3 857 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [0,0,1,0,0,0|0,0,0]=1 858 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [0,0,1,0,0,0|0,0,2]=3 859 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [0,0,1,0,0,0|2,0,0]=3 860 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [0,0,1,0,0,0|2,0,0]=3 861 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [0,0,1,0,0,0|2,0,0]=3 862 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [0,0,1,0,0,0|2,0,1]=4 863 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [0,0,1,0,0,0|2,0,1]=4 864 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [0,0,1,0,0,0|1,0,2]=4 865 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [0,0,1,0,0,0|3,0,0]=4 866 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [0,0,1,0,0,0|3,0,0]=4 867 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [0,0,1,0,0,0|3,0,0]=4 868 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [0,0,1,0,0,0|3,0,0]=4 869 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [0,0,1,0,0,0|3,0,0]=4 870 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [0,0,1,0,0,0|3,0,0]=4 871 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [0,0,1,0,0,0|3,0,0]=4 872 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [0,0,1,0,0,0|3,0,0]=4 873 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [0,0,1,0,0,0|3,0,0]=4 874 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [0,0,1,0,0,0|3,0,0]=4 875 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [0,0,1,0,0,0|3,0,0]=4 876 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [0,0,1,0,0,0|3,0,0]=4 877 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [0,0,1,0,0,0|3,0,0]=4 878 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [0,0,1,0,0,0|3,0,0]=4 879 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [0,0,1,0,0,0|3,0,0]=4 880 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [0,0,1,0,0,0|3,0,0]=4 881 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [0,0,1,0,0,0|3,0,0]=4 882 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [0,0,1,0,0,0|3,0,0]=4 883 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [0,0,1,0,0,0|3,0,0]=4 884 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [0,0,1,0,0,0|3,0,0]=4 885 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [0,0,1,0,0,0|3,0,0]=4 886 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [0,0,1,0,0,0|3,0,0]=4 887 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [0,0,1,0,0,0|3,0,0]=4 888 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [0,0,1,0,0,0|2,0,0]=3 889 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [0,0,1,0,0,0|3,0,0]=4 890 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [0,0,1,0,0,0|3,0,0]=4 891 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [0,0,1,0,0,0|3,0,0]=4 892 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [0,0,1,0,0,0|3,0,0]=4 893 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [0,0,1,0,0,0|3,0,0]=4 894 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [0,0,1,0,0,0|3,0,0]=4 895 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [0,0,1,0,0,0|3,0,0]=4 896 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [0,0,1,0,0,0|3,0,0]=4 897 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [0,0,1,0,0,0|3,0,0]=4 898 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [0,0,1,0,0,0|3,0,0]=4 899 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [0,0,1,0,0,0|3,0,0]=4 900 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [0,0,1,0,0,0|3,0,0]=4 901 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [0,0,1,0,0,0|2,1,0]=4 902 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [0,0,1,0,0,0|2,1,0]=4 903 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [0,0,1,0,0,0|3,0,0]=4 904 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [0,0,1,0,0,0|3,0,0]=4 905 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [0,0,1,0,0,0|3,0,0]=4 906 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [0,0,1,0,0,0|1,1,0]=3 907 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [0,0,1,0,0,0|1,1,0]=3 908 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [0,0,1,0,0,0|1,1,0]=3 909 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [0,0,1,0,0,0|1,1,0]=3 910 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [0,0,1,0,0,0|1,1,0]=3 911 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [0,0,1,0,0,0|1,1,0]=3 912 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [0,0,1,0,0,0|1,1,0]=3 913 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [0,0,1,0,0,0|1,1,0]=3 914 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [0,0,1,0,0,0|1,1,1]=4 915 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [0,0,1,0,0,0|0,1,0]=2 916 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [0,0,1,0,0,0|0,1,0]=2 917 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [0,0,1,0,0,0|0,1,2]=4 918 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [0,0,1,0,0,0|0,1,2]=4 919 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [0,0,1,0,0,0|2,1,0]=4 920 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [0,0,1,0,0,0|2,1,0]=4 921 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [0,0,1,0,0,0|1,1,0]=3 922 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [0,0,1,0,0,0|1,1,0]=3 923 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [0,0,1,0,0,0|2,1,0]=4 924 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [0,0,1,0,0,0|2,1,0]=4 925 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [0,0,1,0,0,0|2,0,1]=4 926 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [0,0,1,0,0,0|2,0,1]=4 927 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [0,0,1,0,0,0|1,1,0]=3 928 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [0,0,1,0,0,0|1,1,0]=3 929 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [0,0,1,0,0,0|2,1,0]=4 930 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [0,0,1,0,0,0|2,1,0]=4 931 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [0,0,1,0,0,0|2,0,0]=3 932 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [0,0,1,0,0,0|2,0,0]=3 933 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [0,0,1,0,0,0|2,0,1]=4 934 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [0,0,1,0,0,0|2,0,1]=4 935 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [0,0,1,0,0,0|1,0,2]=4 936 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [0,0,1,0,0,0|2,0,1]=4 937 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [0,0,1,0,0,0|2,0,1]=4 938 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [0,0,1,0,0,0|1,0,2]=4 939 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [0,0,1,0,0,0|1,0,2]=4 940 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [0,0,1,0,0,0|2,0,1]=4 941 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [0,0,1,0,0,0|2,0,1]=4 942 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [0,0,1,0,0,0|2,0,1]=4 943 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [0,0,1,0,0,0|1,0,2]=4 944 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [0,0,1,0,0,0|1,0,2]=4 945 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [0,0,1,0,0,0|2,0,1]=4 946 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [0,0,1,0,0,0|2,0,1]=4 947 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [0,0,1,0,0,0|2,0,1]=4 948 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [0,0,1,0,0,0|1,0,2]=4 949 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [0,0,1,0,0,0|1,0,2]=4 950 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [0,0,1,0,0,0|2,0,1]=4 951 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [0,0,1,0,0,0|2,0,1]=4 952 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [0,0,1,0,0,0|1,0,2]=4 953 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [0,0,1,0,0,0|1,0,2]=4 954 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [0,0,1,0,0,0|2,0,1]=4 955 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [0,0,1,0,0,0|2,0,1]=4 956 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [0,0,1,0,0,0|1,1,0]=3 957 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [0,0,1,0,0,0|1,1,0]=3 958 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [0,0,1,0,0,0|1,1,0]=3 959 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [0,0,1,0,0,0|1,1,0]=3 960 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [0,0,1,0,0,0|1,1,0]=3 961 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [0,0,1,0,0,0|1,1,0]=3 962 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [0,0,1,0,0,0|1,1,1]=4 963 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [0,0,1,0,0,0|0,1,0]=2 964 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [0,0,1,0,0,0|0,1,0]=2 965 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [0,0,1,0,0,0|0,1,2]=4 966 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [0,0,1,0,0,0|0,1,2]=4 967 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [0,0,1,0,0,0|2,1,0]=4 968 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [0,0,1,0,0,0|2,1,0]=4 969 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [0,0,1,0,0,0|1,1,0]=3 970 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [0,0,1,0,0,0|1,1,0]=3 971 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [0,0,0,0,1,0|2,0,0]=3 972 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [0,0,0,0,1,0|3,0,0]=4 973 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [0,0,0,0,1,0|3,0,0]=4 974 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [0,0,0,0,1,0|3,0,0]=4 975 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [0,0,0,0,1,0|3,0,0]=4 976 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [0,0,0,0,0,1|3,0,0]=4 977 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [0,0,0,0,0,1|3,0,0]=4 978 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,0,0,0,0,1|2,0,0]=3 979 B13R2.57 C=Cc1ccc2c(c1)CCNC2 271570a_100011290941_100000686056 [0,0,0,0,0,1|3,0,0]=4 980 B13R2.57 C=Cc1ccc2c(c1)CNCC2 271570a_100011290941_100015189961 [0,0,0,0,0,1|3,0,0]=4 981 B13R2.57 C=Cc1ccc2c(c1)COCC2 271570a_100011290941_100010128096 [0,0,0,0,0,1|2,0,0]=3 982 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [0,0,0,0,0,1|3,0,0]=4 983 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [0,0,0,0,0,1|2,0,0]=3 984 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [0,0,0,0,0,1|2,1,0]=4 985 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,0,0,0,0,1|2,0,0]=3 986 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [0,0,0,0,0,1|2,0,0]=3 987 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,0,0,0,0,1|1,0,0]=2 988 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [0,0,0,0,0,1|3,0,0]=4 989 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [0,0,0,0,0,1|3,0,0]=4 990 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [0,0,0,0,0,1|3,0,0]=4 991 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [0,0,0,0,0,1|3,0,0]=4 992 B13R2.57 CNc1ccc2c(c1)CCCO2 2230a_100138412508_200000210301 [0,0,0,0,0,1|3,0,0]=4 993 B13R2.57 CNc1ccc2c(c1)CCCO2 34a_100138412508_200000210301 [0,0,0,0,0,1|3,0,0]=4 994 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,0,0,0,0,1|2,0,0]=3 995 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,0,0,0,0,1|2,0,0]=3 996 B13R2.57 COc1ccc2c(c1)CCOC2 34a_100009841951_200000210301 [0,0,0,0,0,1|3,0,0]=4 997 B13R2.57 COc1ccc2c(c1)CCOC2 7a_100009841951_200000210301 [0,0,0,0,0,1|3,0,0]=4 998 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,0,0,0,0,1|3,0,0]=4 999 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,0,0,0,0,1|2,0,0]=3 1000 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_100011393166_200000210301 [0,0,0,0,0,1|3,0,0]=4 1001 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_200000210301_100011393166 [0,0,0,0,0,1|3,0,0]=4 1002 B13R2.57 CSc1ccc2c(c1)COCC2 62a_100010128096_200000210301 [0,0,0,0,0,1|3,0,0]=4 1003 B13R2.57 CSc1ccc2c(c1)COCC2 62a_200000210301_100010128096 [0,0,0,0,0,1|3,0,0]=4 1004 B13R2.57 CSc1ccc2c(c1)NCCO2 62a_200000210301_100000708519 [0,0,0,0,0,1|3,0,0]=4 1005 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_100010700467_200000210301 [0,0,0,0,0,1|3,0,0]=4 1006 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_200000210301_100010700467 [0,0,0,0,0,1|3,0,0]=4 1007 B13R2.57 CSc1ccc2c(c1)OCCN2 62a_200000210301_100012355470 [0,0,0,0,0,1|3,0,0]=4 1008 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,0,0,0,0,1|2,0,0]=3 1009 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,0,0,0,0,1|2,0,0]=3 1010 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 2230a_100138412508_200025704644 [0,0,0,0,0,1|3,0,0]=4 1011 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 34a_100138412508_200025704644 [0,0,0,0,0,1|3,0,0]=4 1012 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,0,0,0,0,1|2,0,0]=3 1013 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,0,0,0,0,1|2,0,0]=3 1014 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 34a_100009841951_200025704644 [0,0,0,0,0,1|3,0,0]=4 1015 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 7a_100009841951_200025704644 [0,0,0,0,0,1|3,0,0]=4 1016 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,0,0,0,0,1|3,0,0]=4 1017 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,0,0,0,0,1|2,0,0]=3 1018 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_100011393166_200025704644 [0,0,0,0,0,1|3,0,0]=4 1019 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_200025704644_100011393166 [0,0,0,0,0,1|3,0,0]=4 1020 B13R2.57 [13CH3]Sc1ccc2c(c1)COCC2 62a_100010128096_200025704644 [0,0,0,0,0,1|3,0,0]=4 1021 B13R2.57 [13CH3]Sc1ccc2c(c1)COCC2 62a_200025704644_100010128096 [0,0,0,0,0,1|3,0,0]=4 1022 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCO2 62a_200025704644_100000708519 [0,0,0,0,0,1|3,0,0]=4 1023 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_100010700467_200025704644 [0,0,0,0,0,1|3,0,0]=4 1024 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_200025704644_100010700467 [0,0,0,0,0,1|3,0,0]=4 1025 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCN2 62a_200025704644_100012355470 [0,0,0,0,0,1|3,0,0]=4 1026 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,0,0,0,0,1|2,0,0]=3 1027 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,0,0,0,0,1|2,0,0]=3 1028 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,0,1,0,0,0|2,0,0]=4 1029 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,0,1,0,0,0|2,0,0]=4 1030 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,0,1,0,0,0|2,0,0]=4 1031 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,0,1,0,0,0|1,0,1]=4 1032 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,0,1,0,0,0|1,0,1]=4 1033 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,0,1,0,0,0|2,0,0]=4 1034 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,0,1,0,0,0|2,0,0]=4 1035 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,0,1,0,0,0|2,0,0]=4 1036 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,0,1,0,0,0|2,0,0]=4 1037 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,0,1,0,0,0|2,0,0]=4 1038 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,0,1,0,0,0|2,0,0]=4 1039 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,0,1,0,0,0|1,0,1]=4 1040 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,0,1,0,0,0|1,0,1]=4 1041 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,0,1,0,0,0|1,0,1]=4 1042 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,0,1,0,0,0|2,0,0]=4 1043 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,0,1,0,0,0|2,0,0]=4 1044 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,0,1,0,0,0|2,0,0]=4 1045 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,0,1,0,0,0|2,0,0]=4 1046 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,0,1,0,0,0|2,0,0]=4 1047 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,0,1,0,0,0|2,0,0]=4 1048 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,0,1,0,0,0|2,0,0]=4 1049 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,0,1,0,0,0|2,0,0]=4 1050 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [1,0,1,0,0,0|2,0,0]=4 1051 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,1,0,0,0|1,0,1]=4 1052 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,1,0,0,0|1,0,1]=4 1053 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,1,0,0,0|2,0,0]=4 1054 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,1,0,0,0|2,0,0]=4 1055 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,1,0,0,0|2,0,0]=4 1056 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,1,0,0,0|1,0,0]=3 1057 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,1,0,0,0|2,0,0]=4 1058 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,1,0,0,0|2,0,0]=4 1059 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,1,0,0,0|2,0,0]=4 1060 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,1,0,0,0|1,0,0]=3 1061 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,1,0,0,0|1,0,0]=3 1062 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,1,0,0,0|1,0,0]=3 1063 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,1,0,0,0|1,0,0]=3 1064 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,1,0,0,0|1,0,0]=3 1065 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,1,0,0,0|1,1,0]=4 1066 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,1,0,0,0|1,1,0]=4 1067 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,1,0,0,0|1,1,0]=4 1068 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,1,0,0,0|1,1,0]=4 1069 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,1,0,0,0|1,1,0]=4 1070 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,0,1,0,0,0|2,0,0]=4 1071 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,0,1,0,0,0|2,0,0]=4 1072 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,0,1,0,0,0|2,0,0]=4 1073 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,0,1,0,0,0|2,0,0]=4 1074 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,1,0,0,0|1,0,1]=4 1075 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,1,0,0,0|1,0,1]=4 1076 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,1,0,0,0|1,0,1]=4 1077 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,1,0,0,0|1,0,1]=4 1078 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,1,0,0,0|2,0,0]=4 1079 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,1,0,0,0|2,0,0]=4 1080 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,1,0,0,0|2,0,0]=4 1081 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,1,0,0,0|2,0,0]=4 1082 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,1,0,0,0|2,0,0]=4 1083 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,1,0,0,0|1,0,1]=4 1084 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,1,0,0,0|1,0,1]=4 1085 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,1,0,0,0|1,0,1]=4 1086 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,1,0,0,0|0,0,2]=4 1087 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,1,0,0,0|2,0,0]=4 1088 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,1,0,0,0|2,0,0]=4 1089 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,1,0,0,0|2,0,0]=4 1090 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,1,0,0,0|2,0,0]=4 1091 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,1,0,0,0|2,0,0]=4 1092 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,1,0,0,0|2,0,0]=4 1093 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,1,0,0,0|0,1,0]=3 1094 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,1,0,0,0|0,1,0]=3 1095 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,1,0,0,0|2,0,0]=4 1096 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,1,0,0,0|2,0,0]=4 1097 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,1,0,0,0|2,0,0]=4 1098 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,1,0,0,0|1,1,0]=4 1099 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,1,0,0,0|1,1,0]=4 1100 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,1,0,0,0|1,1,0]=4 1101 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,1,0,0,0|1,1,0]=4 1102 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,1,0,0,0|2,0,0]=4 1103 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,1,0,0,0|2,0,0]=4 1104 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,1,0,0,0|1,0,1]=4 1105 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,1,0,0,0|1,0,1]=4 1106 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,1,0,0,0|1,0,1]=4 1107 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,1,0,0,0|0,0,2]=4 1108 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,1,0,0,0|0,1,0]=3 1109 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,1,0,0,0|0,1,0]=3 1110 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,1,0,0,0|2,0,0]=4 1111 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,1,0,0,0|2,0,0]=4 1112 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,1,0,0,0|1,1,0]=4 1113 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,1,0,0,0|1,1,0]=4 1114 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,1,0,0,0|1,1,0]=4 1115 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,1,0,0,0|1,1,0]=4 1116 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,0,1,0,0,0|2,0,0]=4 1117 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,0,1,0,0,0|2,0,0]=4 1118 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,0,1,0,0,0|2,0,0]=4 1119 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,0,1,0,0,0|2,0,0]=4 1120 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,0,1,0,0,0|1,0,1]=4 1121 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,0,1,0,0,0|1,0,1]=4 1122 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,0,1,0,0,0|2,0,0]=4 1123 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,0,1,0,0,0|2,0,0]=4 1124 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,0,1,0,0,0|2,0,0]=4 1125 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,0,1,0,0,0|2,0,0]=4 1126 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,0,1,0,0,0|2,0,0]=4 1127 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,0,1,0,0,0|2,0,0]=4 1128 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,0,1,0,0,0|2,0,0]=4 1129 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,0,1,0,0,0|1,0,1]=4 1130 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,0,1,0,0,0|1,0,1]=4 1131 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,0,1,0,0,0|1,0,1]=4 1132 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,0,1,0,0,0|2,0,0]=4 1133 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,0,1,0,0,0|2,0,0]=4 1134 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,0,1,0,0,0|2,0,0]=4 1135 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,0,1,0,0,0|2,0,0]=4 1136 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,0,1,0,0,0|2,0,0]=4 1137 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,0,1,0,0,0|2,0,0]=4 1138 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,0,1,0,0,0|2,0,0]=4 1139 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,0,1,0,0,0|2,0,0]=4 1140 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,0,1,0,0,0|2,0,0]=4 1141 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [1,0,1,0,0,0|2,0,0]=4 1142 B10R1.10 O=c1cccc([nH]1)OCF 34a_100000033347_100015361967 [1,0,1,0,0,0|2,0,0]=4 1143 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,0,1,0,0,0|1,0,1]=4 1144 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,0,1,0,0,0|1,0,1]=4 1145 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,0,1,0,0,0|1,0,1]=4 1146 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,0,1,0,0,0|1,0,1]=4 1147 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,0,1,0,0,0|1,0,1]=4 1148 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [1,0,1,0,0,0|2,0,0]=4 1149 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,0,1,0,0,0|2,0,0]=4 1150 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,0,1,0,0,0|1,0,1]=4 1151 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,0,1,0,0,0|2,0,0]=4 1152 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,0,1,0,0,0|2,0,0]=4 1153 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,0,1,0,0,0|2,0,0]=4 1154 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,0,1,0,0,0|1,0,0]=3 1155 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,0,1,0,0,0|2,0,0]=4 1156 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,0,1,0,0,0|2,0,0]=4 1157 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,0,1,0,0,0|2,0,0]=4 1158 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,0,1,0,0,0|1,0,0]=3 1159 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,0,1,0,0,0|1,0,0]=3 1160 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,0,1,0,0,0|1,0,0]=3 1161 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,0,1,0,0,0|1,0,0]=3 1162 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,0,1,0,0,0|1,0,0]=3 1163 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,0,1,0,0,0|1,1,0]=4 1164 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,0,1,0,0,0|1,1,0]=4 1165 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,0,1,0,0,0|1,1,0]=4 1166 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,0,1,0,0,0|1,1,0]=4 1167 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,0,1,0,0,0|1,1,0]=4 1168 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [1,0,1,0,0,0|2,0,0]=4 1169 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,0,1,0,0,0|2,0,0]=4 1170 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [1,0,1,0,0,0|2,0,0]=4 1171 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,0,1,0,0,0|2,0,0]=4 1172 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [1,0,1,0,0,0|2,0,0]=4 1173 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,0,1,0,0,0|2,0,0]=4 1174 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,0,1,0,0,0|1,0,1]=4 1175 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,0,1,0,0,0|1,0,1]=4 1176 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,0,1,0,0,0|1,0,1]=4 1177 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,0,1,0,0,0|1,0,1]=4 1178 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,0,1,0,0,0|2,0,0]=4 1179 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,0,1,0,0,0|2,0,0]=4 1180 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,0,1,0,0,0|2,0,0]=4 1181 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,0,1,0,0,0|2,0,0]=4 1182 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,0,1,0,0,0|2,0,0]=4 1183 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,0,1,0,0,0|2,0,0]=4 1184 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,0,1,0,0,0|2,0,0]=4 1185 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,0,1,0,0,0|1,0,1]=4 1186 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,0,1,0,0,0|1,0,1]=4 1187 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,0,1,0,0,0|1,0,1]=4 1188 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,0,1,0,0,0|1,0,1]=4 1189 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,0,1,0,0,0|1,0,1]=4 1190 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,0,1,0,0,0|1,0,1]=4 1191 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,0,1,0,0,0|1,0,1]=4 1192 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,0,1,0,0,0|0,0,2]=4 1193 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,0,1,0,0,0|0,0,2]=4 1194 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,0,1,0,0,0|2,0,0]=4 1195 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,0,1,0,0,0|2,0,0]=4 1196 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,0,1,0,0,0|2,0,0]=4 1197 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,0,1,0,0,0|2,0,0]=4 1198 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,0,1,0,0,0|2,0,0]=4 1199 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,0,1,0,0,0|2,0,0]=4 1200 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,0,1,0,0,0|2,0,0]=4 1201 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,0,1,0,0,0|2,0,0]=4 1202 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,0,1,0,0,0|2,0,0]=4 1203 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,0,1,0,0,0|1,1,0]=4 1204 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,0,1,0,0,0|1,1,0]=4 1205 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,0,1,0,0,0|0,1,0]=3 1206 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,0,1,0,0,0|0,1,0]=3 1207 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,0,1,0,0,0|2,0,0]=4 1208 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,0,1,0,0,0|2,0,0]=4 1209 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,0,1,0,0,0|2,0,0]=4 1210 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,0,1,0,0,0|2,0,0]=4 1211 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,0,1,0,0,0|1,1,0]=4 1212 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,0,1,0,0,0|1,1,0]=4 1213 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,0,1,0,0,0|1,1,0]=4 1214 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,0,1,0,0,0|1,1,0]=4 1215 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,0,1,0,0,0|1,1,0]=4 1216 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,0,1,0,0,0|1,1,0]=4 1217 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,0,1,0,0,0|2,0,0]=4 1218 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,0,1,0,0,0|2,0,0]=4 1219 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,0,1,0,0,0|1,0,1]=4 1220 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,0,1,0,0,0|1,0,1]=4 1221 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,0,1,0,0,0|1,0,1]=4 1222 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,0,1,0,0,0|1,0,1]=4 1223 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,0,1,0,0,0|1,0,1]=4 1224 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,0,1,0,0,0|1,0,1]=4 1225 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,0,1,0,0,0|1,0,1]=4 1226 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,0,1,0,0,0|0,0,2]=4 1227 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,0,1,0,0,0|0,0,2]=4 1228 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,0,1,0,0,0|1,1,0]=4 1229 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,0,1,0,0,0|1,1,0]=4 1230 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,0,1,0,0,0|0,1,0]=3 1231 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,0,1,0,0,0|0,1,0]=3 1232 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,0,1,0,0,0|2,0,0]=4 1233 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,0,1,0,0,0|2,0,0]=4 1234 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,0,1,0,0,0|1,1,0]=4 1235 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,0,1,0,0,0|1,1,0]=4 1236 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,0,1,0,0,0|1,1,0]=4 1237 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,0,1,0,0,0|1,1,0]=4 1238 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,0,1,0,0,0|1,1,0]=4 1239 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,0,1,0,0,0|1,1,0]=4 1240 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,0,1,0,0,0|2,0,0]=4 1241 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,0,1,0,0,0|1,0,1]=4 1242 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,0,1,0,0,0|1,0,1]=4 1243 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,0,1,0,0,0|2,0,0]=4 1244 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,0,1,0,0,0|2,0,0]=4 1245 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,0,1,0,0,0|2,0,0]=4 1246 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,0,1,0,0,0|1,0,1]=4 1247 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [1,0,1,0,0,0|1,0,0]=3 1248 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [1,0,1,0,0,0|2,0,0]=4 1249 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [1,0,1,0,0,0|2,0,0]=4 1250 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,0,1,0,0,0|1,0,1]=4 1251 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,0,1,0,0,0|1,0,1]=4 1252 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [1,0,1,0,0,0|2,0,0]=4 1253 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [1,0,1,0,0,0|2,0,0]=4 1254 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [1,0,1,0,0,0|2,0,0]=4 1255 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [1,0,1,0,0,0|2,0,0]=4 1256 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [1,0,1,0,0,0|2,0,0]=4 1257 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [1,0,1,0,0,0|2,0,0]=4 1258 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,0,1,0,0,0|2,0,0]=4 1259 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,0,1,0,0,0|2,0,0]=4 1260 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,0,1,0,0,0|1,0,1]=4 1261 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [1,0,1,0,0,0|2,0,0]=4 1262 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [1,0,1,0,0,0|2,0,0]=4 1263 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,0,1,0,0,0|1,0,1]=4 1264 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,0,1,0,0,0|1,0,1]=4 1265 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [1,0,1,0,0,0|2,0,0]=4 1266 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [1,0,1,0,0,0|2,0,0]=4 1267 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [1,0,1,0,0,0|2,0,0]=4 1268 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [1,0,1,0,0,0|2,0,0]=4 1269 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [1,0,1,0,0,0|2,0,0]=4 1270 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [1,0,1,0,0,0|2,0,0]=4 1271 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,0,1,0,0,0|2,0,0]=4 1272 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,0,1,0,0,0|2,0,0]=4 1273 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,0,1,0,0,0|1,0,1]=4 1274 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [1,0,1,0,0,0|2,0,0]=4 1275 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [1,0,1,0,0,0|2,0,0]=4 1276 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,0,1,0,0,0|1,0,1]=4 1277 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,0,1,0,0,0|1,0,1]=4 1278 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [1,0,1,0,0,0|2,0,0]=4 1279 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [1,0,1,0,0,0|2,0,0]=4 1280 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [1,0,1,0,0,0|2,0,0]=4 1281 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [1,0,1,0,0,0|2,0,0]=4 1282 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [1,0,1,0,0,0|2,0,0]=4 1283 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [1,0,1,0,0,0|2,0,0]=4 1284 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,0,1,0,0,0|2,0,0]=4 1285 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,0,1,0,0,0|2,0,0]=4 1286 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,0,1,0,0,0|1,0,1]=4 1287 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [1,0,1,0,0,0|2,0,0]=4 1288 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [1,0,1,0,0,0|2,0,0]=4 1289 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,0,1,0,0,0|1,0,1]=4 1290 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,0,1,0,0,0|1,0,1]=4 1291 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1292 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1293 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [1,0,1,0,0,0|2,0,0]=4 1294 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [1,0,1,0,0,0|2,0,0]=4 1295 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [1,0,1,0,0,0|2,0,0]=4 1296 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [1,0,1,0,0,0|2,0,0]=4 1297 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1298 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1299 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,0,1,0,0,0|1,0,1]=4 1300 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [1,0,1,0,0,0|2,0,0]=4 1301 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [1,0,1,0,0,0|2,0,0]=4 1302 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,0,1,0,0,0|1,0,1]=4 1303 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,0,1,0,0,0|1,0,1]=4 1304 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [1,0,1,0,0,0|2,0,0]=4 1305 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [1,0,1,0,0,0|2,0,0]=4 1306 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [1,0,1,0,0,0|2,0,0]=4 1307 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [1,0,1,0,0,0|2,0,0]=4 1308 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [1,0,1,0,0,0|2,0,0]=4 1309 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [1,0,1,0,0,0|2,0,0]=4 1310 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [1,0,1,0,0,0|2,0,0]=4 1311 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,0,1,0,0,0|1,0,1]=4 1312 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,0,1,0,0,0|1,0,1]=4 1313 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [1,0,1,0,0,0|2,0,0]=4 1314 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [1,0,1,0,0,0|2,0,0]=4 1315 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [1,0,1,0,0,0|2,0,0]=4 1316 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [1,0,1,0,0,0|2,0,0]=4 1317 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [1,0,1,0,0,0|2,0,0]=4 1318 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [1,0,1,0,0,0|2,0,0]=4 1319 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,0,1,0,0,0|2,0,0]=4 1320 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,0,1,0,0,0|1,0,1]=4 1321 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,0,1,0,0,0|1,0,0]=3 1322 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,0,1,0,0,0|0,0,1]=3 1323 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,0,1,0,0,0|1,0,0]=3 1324 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,0,1,0,0,0|1,0,0]=3 1325 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,0,1,0,0,0|1,0,0]=3 1326 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,0,1,0,0,0|0,0,1]=3 1327 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,0,1,0,0,0|0,0,1]=3 1328 B10R1.25 COc1ccc(nc1O)C 271570a_203496583355_100009820875 [1,0,1,0,0,0|1,0,1]=4 1329 B10R1.25 COc1ccc(nc1O)N 271570a_203496583355_100010172607 [1,0,1,0,0,0|2,0,0]=4 1330 B10R1.25 COc1cnc(cc1O)C 271570a_203496583355_100010109759 [1,0,1,0,0,0|1,0,1]=4 1331 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [1,0,1,0,0,0|1,0,1]=4 1332 B10R1.25 COc1ncc(cc1O)Br 271570a_203496583355_100009814608 [1,0,1,0,0,0|2,0,0]=4 1333 B10R1.25 COc1ncc(cc1O)C 271570a_203496583355_100012353929 [1,0,1,0,0,0|1,0,1]=4 1334 B10R1.25 COc1ncc(cc1O)F 271570a_203496583355_100009828472 [1,0,1,0,0,0|2,0,0]=4 1335 B10R1.25 COc1ncc(cc1O)N 271570a_203496583355_100012351452 [1,0,1,0,0,0|2,0,0]=4 1336 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [1,0,1,0,0,0|1,0,1]=4 1337 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,0,1,0,0,0|1,1,0]=4 1338 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,0,1,0,0,0|1,1,0]=4 1339 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,0,1,0,0,0|0,1,1]=4 1340 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,0,1,0,0,0|0,1,1]=4 1341 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,0,1,0,0,0|0,1,1]=4 1342 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,0,1,0,0,0|1,1,0]=4 1343 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,0,1,0,0,0|1,1,0]=4 1344 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,0,1,0,0,0|1,1,0]=4 1345 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,0,1,0,0,0|1,1,0]=4 1346 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,0,1,0,0,0|1,1,0]=4 1347 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,0,1,0,0,0|0,1,1]=4 1348 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [1,0,1,0,0,0|2,0,0]=4 1349 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [1,0,1,0,0,0|2,0,0]=4 1350 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [1,0,1,0,0,0|2,0,0]=4 1351 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [1,0,1,0,0,0|2,0,0]=4 1352 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [1,0,1,0,0,0|2,0,0]=4 1353 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [1,0,1,0,0,0|2,0,0]=4 1354 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [1,0,1,0,0,0|2,0,0]=4 1355 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [1,0,1,0,0,0|2,0,0]=4 1356 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,0,1,0,0,0|2,0,0]=4 1357 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,0,1,0,0,0|2,0,0]=4 1358 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,0,1,0,0,0|1,0,1]=4 1359 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,0,1,0,0,0|1,0,1]=4 1360 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,0,1,0,0,0|1,0,1]=4 1361 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,0,1,0,0,0|1,0,1]=4 1362 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,0,1,0,0,0|1,0,1]=4 1363 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,0,1,0,0,0|1,0,1]=4 1364 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,0,1,0,0,0|1,0,1]=4 1365 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,0,1,0,0,0|1,0,1]=4 1366 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,0,1,0,0,0|1,0,1]=4 1367 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,0,1,0,0,0|1,0,1]=4 1368 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,0,1,0,0,0|1,0,1]=4 1369 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,0,1,0,0,0|1,0,1]=4 1370 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,0,1,0,0,0|1,0,1]=4 1371 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,0,1,0,0,0|0,1,1]=4 1372 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,0,1,0,0,0|0,1,1]=4 1373 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,0,1,0,0,0|2,0,0]=4 1374 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,0,1,0,0,0|2,0,0]=4 1375 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,0,1,0,0,0|2,0,0]=4 1376 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,0,1,0,0,0|1,0,1]=4 1377 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [1,0,1,0,0,0|2,0,0]=4 1378 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [1,0,1,0,0,0|2,0,0]=4 1379 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [1,0,1,0,0,0|2,0,0]=4 1380 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [1,0,1,0,0,0|2,0,0]=4 1381 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [1,0,1,0,0,0|2,0,0]=4 1382 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [1,0,1,0,0,0|2,0,0]=4 1383 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [1,0,1,0,0,0|2,0,0]=4 1384 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [1,0,1,0,0,0|2,0,0]=4 1385 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,0,1,0,0,0|2,0,0]=4 1386 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,0,1,0,0,0|2,0,0]=4 1387 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [1,0,1,0,0,0|2,0,0]=4 1388 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [1,0,1,0,0,0|2,0,0]=4 1389 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [1,0,1,0,0,0|2,0,0]=4 1390 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [1,0,1,0,0,0|2,0,0]=4 1391 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [1,0,1,0,0,0|2,0,0]=4 1392 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [1,0,1,0,0,0|2,0,0]=4 1393 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [1,0,1,0,0,0|2,0,0]=4 1394 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [1,0,1,0,0,0|2,0,0]=4 1395 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,0,1,0,0,0|2,0,0]=4 1396 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,0,1,0,0,0|2,0,0]=4 1397 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [1,0,1,0,0,0|2,0,0]=4 1398 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [1,0,1,0,0,0|2,0,0]=4 1399 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1400 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1401 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [1,0,1,0,0,0|2,0,0]=4 1402 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [1,0,1,0,0,0|2,0,0]=4 1403 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [1,0,1,0,0,0|2,0,0]=4 1404 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [1,0,1,0,0,0|2,0,0]=4 1405 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1406 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1407 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [1,0,1,0,0,0|2,0,0]=4 1408 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [1,0,1,0,0,0|2,0,0]=4 1409 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [1,0,1,0,0,0|2,0,0]=4 1410 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [1,0,1,0,0,0|2,0,0]=4 1411 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [1,0,1,0,0,0|2,0,0]=4 1412 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [1,0,1,0,0,0|2,0,0]=4 1413 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [1,0,1,0,0,0|2,0,0]=4 1414 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [1,0,1,0,0,0|2,0,0]=4 1415 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [1,0,1,0,0,0|2,0,0]=4 1416 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [1,0,1,0,0,0|2,0,0]=4 1417 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [1,0,1,0,0,0|2,0,0]=4 1418 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [1,0,1,0,0,0|2,0,0]=4 1419 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [1,0,1,0,0,0|2,0,0]=4 1420 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [1,0,1,0,0,0|2,0,0]=4 1421 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [1,0,1,0,0,0|2,0,0]=4 1422 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,0,1,0,0,0|2,0,0]=4 1423 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,0,1,0,0,0|1,1,0]=4 1424 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,0,1,0,0,0|1,1,0]=4 1425 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,0,1,0,0,0|1,1,0]=4 1426 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,0,1,0,0,0|1,1,0]=4 1427 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,0,1,0,0,0|1,1,0]=4 1428 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,0,1,0,0,0|1,1,0]=4 1429 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,0,1,0,0,0|0,1,1]=4 1430 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,0,1,0,0,0|2,0,0]=4 1431 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,0,1,0,0,0|2,0,0]=4 1432 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,0,1,0,0,0|2,0,0]=4 1433 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,0,1,0,0,0|2,0,0]=4 1434 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,0,1,0,0,0|2,0,0]=4 1435 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,0,1,0,0,0|2,0,0]=4 1436 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,0,1,0,0,0|2,0,0]=4 1437 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,0,1,0,0,0|2,0,0]=4 1438 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,0,1,0,0,0|2,0,0]=4 1439 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,0,1,0,0,0|1,0,0]=3 1440 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,0,1,0,0,0|2,0,0]=4 1441 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,0,1,0,0,0|2,0,0]=4 1442 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,0,1,0,0,0|2,0,0]=4 1443 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,0,1,0,0,0|2,0,0]=4 1444 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,0,1,0,0,0|2,0,0]=4 1445 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,0,1,0,0,0|2,0,0]=4 1446 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,1,0,0,0|2,0,0]=4 1447 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,1,0,0,0|1,0,0]=3 1448 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,1,0,0,0|2,0,0]=4 1449 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,1,0,0,0|2,0,0]=4 1450 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,1,0,0,0|2,0,0]=4 1451 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,1,0,0,0|1,0,0]=3 1452 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,0,1,0,0,0|2,0,0]=4 1453 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,0,1,0,0,0|2,0,0]=4 1454 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,0,1,0,0,0|2,0,0]=4 1455 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,1,0,0,0|1,0,1]=4 1456 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,1,0,0,0|2,0,0]=4 1457 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,1,0,0,0|2,0,0]=4 1458 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,1,0,0,0|2,0,0]=4 1459 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,1,0,0,0|2,0,0]=4 1460 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,1,0,0,0|2,0,0]=4 1461 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,1,0,0,0|2,0,0]=4 1462 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,1,0,0,0|2,0,0]=4 1463 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,1,0,0,0|2,0,0]=4 1464 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,1,0,0,0|2,0,0]=4 1465 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,1,0,0,0|2,0,0]=4 1466 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,1,0,0,0|2,0,0]=4 1467 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,1,0,0,0|2,0,0]=4 1468 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,1,0,0,0|2,0,0]=4 1469 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,1,0,0,0|2,0,0]=4 1470 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,1,0,0,0|2,0,0]=4 1471 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,0,1,0,0,0|1,0,1]=4 1472 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,0,1,0,0,0|0,0,0]=2 1473 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,0,1,0,0,0|1,0,1]=4 1474 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,0,1,0,0,0|0,0,2]=4 1475 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,0,1,0,0,0|2,0,0]=4 1476 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,1,0,0,0|2,0,0]=4 1477 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,1,0,0,0|2,0,0]=4 1478 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,1,0,0,0|2,0,0]=4 1479 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,0,1,0,0,0|1,0,0]=3 1480 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,0,1,0,0,0|1,0,0]=3 1481 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,1,0,0,0|1,0,1]=4 1482 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,1,0,0,0|0,0,0]=2 1483 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,1,0,0,0|0,0,2]=4 1484 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,1,0,0,0|2,0,0]=4 1485 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,1,0,0,0|2,0,0]=4 1486 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,1,0,0,0|2,0,0]=4 1487 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,1,0,0,0|2,0,0]=4 1488 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,1,0,0,0|2,0,0]=4 1489 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,0,1,0,0,0|1,0,0]=3 1490 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,0,1,0,0,0|1,0,0]=3 1491 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,1,0,0,0|1,0,1]=4 1492 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,1,0,0,0|1,0,1]=4 1493 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,0,1,0,0,0|2,0,0]=4 1494 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,0,1,0,0,0|1,0,0]=3 1495 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,1,0,0,0|1,0,0]=3 1496 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,1,0,0,0|1,0,0]=3 1497 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,1,0,0,0|1,0,0]=3 1498 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,1,0,0,0|0,0,0]=2 1499 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,1,0,0,0|0,0,0]=2 1500 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,0,1,0,0,0|2,0,0]=4 1501 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,0,1,0,0,0|1,0,0]=3 1502 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,1,0,0,0|0,0,2]=4 1503 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,1,0,0,0|0,0,2]=4 1504 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,1,0,0,0|2,0,0]=4 1505 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,1,0,0,0|2,0,0]=4 1506 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,0,1,0,0,0|2,0,0]=4 1507 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,0,1,0,0,0|2,0,0]=4 1508 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,0,1,0,0,0|1,0,1]=4 1509 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,0,1,0,0,0|2,0,0]=4 1510 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,0,1,0,0,0|1,0,1]=4 1511 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,1,0,0,0|2,0,0]=4 1512 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,0,1,0,0,0|2,0,0]=4 1513 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,0,1,0,0,0|2,0,0]=4 1514 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,0,1,0,0,0|2,0,0]=4 1515 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,0,1,0,0,0|2,0,0]=4 1516 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,0,1,0,0,0|2,0,0]=4 1517 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,0,1,0,0,0|1,0,1]=4 1518 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,0,1,0,0,0|1,0,1]=4 1519 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,0,1,0,0,0|2,0,0]=4 1520 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,0,1,0,0,0|2,0,0]=4 1521 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,0,1,0,0,0|2,0,0]=4 1522 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,0,1,0,0,0|2,0,0]=4 1523 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,0,1,0,0,0|2,0,0]=4 1524 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,0,1,0,0,0|2,0,0]=4 1525 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,0,1,0,0,0|1,0,1]=4 1526 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,0,1,0,0,0|2,0,0]=4 1527 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,0,1,0,0,0|2,0,0]=4 1528 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,0,1,0,0,0|1,0,1]=4 1529 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,0,1,0,0,0|1,0,1]=4 1530 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,0,1,0,0,0|2,0,0]=4 1531 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,0,1,0,0,0|2,0,0]=4 1532 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,0,1,0,0,0|2,0,0]=4 1533 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,0,1,0,0,0|2,0,0]=4 1534 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,0,1,0,0,0|2,0,0]=4 1535 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,0,1,0,0,0|2,0,0]=4 1536 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,0,1,0,0,0|2,0,0]=4 1537 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,0,1,0,0,0|1,0,1]=4 1538 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,0,1,0,0,0|2,0,0]=4 1539 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,0,1,0,0,0|2,0,0]=4 1540 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,0,1,0,0,0|1,0,1]=4 1541 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,0,1,0,0,0|1,0,1]=4 1542 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,0,1,0,0,0|2,0,0]=4 1543 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,0,1,0,0,0|2,0,0]=4 1544 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,0,1,0,0,0|2,0,0]=4 1545 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,0,1,0,0,0|2,0,0]=4 1546 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,0,1,0,0,0|2,0,0]=4 1547 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,0,1,0,0,0|2,0,0]=4 1548 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,0,1,0,0,0|2,0,0]=4 1549 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,0,1,0,0,0|1,0,1]=4 1550 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1551 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1552 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,0,1,0,0,0|1,0,1]=4 1553 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,0,1,0,0,0|1,0,1]=4 1554 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,0,1,0,0,0|2,0,0]=4 1555 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,0,1,0,0,0|2,0,0]=4 1556 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,0,1,0,0,0|2,0,0]=4 1557 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,0,1,0,0,0|2,0,0]=4 1558 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,0,1,0,0,0|2,0,0]=4 1559 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,0,1,0,0,0|2,0,0]=4 1560 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,0,1,0,0,0|2,0,0]=4 1561 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,0,1,0,0,0|2,0,0]=4 1562 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,0,1,0,0,0|1,0,1]=4 1563 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,0,1,0,0,0|2,0,0]=4 1564 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,0,1,0,0,0|2,0,0]=4 1565 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,0,1,0,0,0|2,0,0]=4 1566 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,0,1,0,0,0|2,0,0]=4 1567 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,0,1,0,0,0|2,0,0]=4 1568 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,0,1,0,0,0|2,0,0]=4 1569 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,0,1,0,0,0|2,0,0]=4 1570 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,0,1,0,0,0|2,0,0]=4 1571 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,0,1,0,0,0|1,0,1]=4 1572 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,0,1,0,0,0|1,0,1]=4 1573 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,0,1,0,0,0|2,0,0]=4 1574 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,0,1,0,0,0|2,0,0]=4 1575 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,0,1,0,0,0|2,0,0]=4 1576 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,0,1,0,0,0|2,0,0]=4 1577 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,0,1,0,0,0|2,0,0]=4 1578 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,0,1,0,0,0|2,0,0]=4 1579 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,0,1,0,0,0|2,0,0]=4 1580 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,0,1,0,0,0|1,0,1]=4 1581 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,1,0,0,0|1,0,0]=3 1582 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,1,0,0,0|0,0,1]=3 1583 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,1,0,0,0|1,0,0]=3 1584 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,1,0,0,0|1,0,0]=3 1585 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,1,0,0,0|1,0,0]=3 1586 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,1,0,0,0|0,0,1]=3 1587 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,1,0,0,0|0,0,1]=3 1588 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,0,1,0,0,0|1,0,1]=4 1589 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,0,1,0,0,0|2,0,0]=4 1590 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,0,1,0,0,0|2,0,0]=4 1591 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,0,1,0,0,0|1,0,1]=4 1592 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,0,1,0,0,0|2,0,0]=4 1593 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,0,1,0,0,0|2,0,0]=4 1594 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,0,1,0,0,0|2,0,0]=4 1595 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,0,1,0,0,0|1,0,1]=4 1596 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,0,1,0,0,0|2,0,0]=4 1597 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,0,1,0,0,0|1,0,1]=4 1598 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,0,1,0,0,0|1,1,0]=4 1599 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,0,1,0,0,0|1,1,0]=4 1600 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,0,1,0,0,0|0,1,1]=4 1601 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,0,1,0,0,0|0,1,1]=4 1602 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,0,1,0,0,0|0,1,1]=4 1603 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,1,0,0,0|1,1,0]=4 1604 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,1,0,0,0|1,1,0]=4 1605 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,0,1,0,0,0|1,1,0]=4 1606 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,0,1,0,0,0|1,1,0]=4 1607 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,0,1,0,0,0|1,1,0]=4 1608 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,0,1,0,0,0|1,1,0]=4 1609 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,0,1,0,0,0|0,1,1]=4 1610 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,0,1,0,0,0|1,0,1]=4 1611 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,0,1,0,0,0|1,0,1]=4 1612 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,0,1,0,0,0|1,0,1]=4 1613 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,0,1,0,0,0|1,0,1]=4 1614 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,0,1,0,0,0|1,0,1]=4 1615 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,0,1,0,0,0|1,0,1]=4 1616 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,0,1,0,0,0|1,0,1]=4 1617 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,0,1,0,0,0|1,0,1]=4 1618 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,0,1,0,0,0|1,0,1]=4 1619 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,0,1,0,0,0|1,0,1]=4 1620 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,0,1,0,0,0|1,0,1]=4 1621 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,0,1,0,0,0|0,1,1]=4 1622 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,0,1,0,0,0|0,1,1]=4 1623 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,0,1,0,0,0|2,0,0]=4 1624 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,0,1,0,0,0|2,0,0]=4 1625 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,0,1,0,0,0|2,0,0]=4 1626 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,0,1,0,0,0|2,0,0]=4 1627 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,0,1,0,0,0|2,0,0]=4 1628 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,0,1,0,0,0|2,0,0]=4 1629 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,0,1,0,0,0|2,0,0]=4 1630 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,0,1,0,0,0|2,0,0]=4 1631 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,0,1,0,0,0|2,0,0]=4 1632 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,0,1,0,0,0|2,0,0]=4 1633 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,1,0,0,0|2,0,0]=4 1634 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,0,1,0,0,0|2,0,0]=4 1635 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,0,1,0,0,0|2,0,0]=4 1636 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,0,1,0,0,0|2,0,0]=4 1637 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,0,1,0,0,0|2,0,0]=4 1638 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,0,1,0,0,0|2,0,0]=4 1639 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,0,1,0,0,0|2,0,0]=4 1640 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,0,1,0,0,0|2,0,0]=4 1641 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,0,1,0,0,0|2,0,0]=4 1642 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,0,1,0,0,0|2,0,0]=4 1643 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,0,1,0,0,0|2,0,0]=4 1644 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,0,1,0,0,0|2,0,0]=4 1645 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,0,1,0,0,0|2,0,0]=4 1646 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,0,1,0,0,0|2,0,0]=4 1647 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,0,1,0,0,0|2,0,0]=4 1648 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,0,1,0,0,0|2,0,0]=4 1649 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,0,1,0,0,0|2,0,0]=4 1650 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,0,1,0,0,0|2,0,0]=4 1651 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,0,1,0,0,0|2,0,0]=4 1652 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,0,1,0,0,0|2,0,0]=4 1653 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1654 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1655 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,0,1,0,0,0|2,0,0]=4 1656 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,0,1,0,0,0|2,0,0]=4 1657 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,0,1,0,0,0|2,0,0]=4 1658 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,0,1,0,0,0|2,0,0]=4 1659 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,0,1,0,0,0|2,0,0]=4 1660 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,0,1,0,0,0|2,0,0]=4 1661 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,0,1,0,0,0|2,0,0]=4 1662 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,0,1,0,0,0|2,0,0]=4 1663 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,0,1,0,0,0|2,0,0]=4 1664 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,0,1,0,0,0|2,0,0]=4 1665 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,0,1,0,0,0|2,0,0]=4 1666 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,0,1,0,0,0|2,0,0]=4 1667 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,0,1,0,0,0|2,0,0]=4 1668 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,0,1,0,0,0|2,0,0]=4 1669 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,0,1,0,0,0|2,0,0]=4 1670 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,0,1,0,0,0|2,0,0]=4 1671 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,0,1,0,0,0|2,0,0]=4 1672 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,0,1,0,0,0|2,0,0]=4 1673 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,0,1,0,0,0|2,0,0]=4 1674 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,0,1,0,0,0|2,0,0]=4 1675 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,0,1,0,0,0|2,0,0]=4 1676 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,0,1,0,0,0|2,0,0]=4 1677 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,0,1,0,0,0|2,0,0]=4 1678 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,0,1,0,0,0|1,1,0]=4 1679 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,0,1,0,0,0|1,1,0]=4 1680 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,1,0,0,0|1,1,0]=4 1681 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,1,0,0,0|1,1,0]=4 1682 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,0,1,0,0,0|1,1,0]=4 1683 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,0,1,0,0,0|1,1,0]=4 1684 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,0,1,0,0,0|1,1,0]=4 1685 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,0,1,0,0,0|1,1,0]=4 1686 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,0,1,0,0,0|0,1,1]=4 1687 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [0,1,1,0,0,0|2,0,0]=4 1688 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [0,1,1,0,0,0|2,0,0]=4 1689 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [0,1,1,0,0,0|2,0,0]=4 1690 B12R1.4 C=Cc1ccc(cc1)OC(F)F 271570a_100011290941_100000179047 [0,1,1,0,0,0|2,0,0]=4 1691 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000210206 [0,1,1,0,0,0|1,1,0]=4 1692 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000210206_100000188517 [0,1,1,0,0,0|1,1,0]=4 1693 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,1,1,0,0,0|2,0,0]=4 1694 B12R1.5 C=Cc1ccc(cc1)C(N)CO 271570a_100011290941_100000734186 [0,1,1,0,0,0|2,0,0]=4 1695 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [0,1,1,0,0,0|2,0,0]=4 1696 B12R1.71 C#CCOc1ccc(cc1)C=C 34a_100000189437_100000184674 [0,1,1,0,0,0|2,0,0]=4 1697 B12R1.71 C#CCOc1ccc(cc1)C=C 7a_100000189437_100000038162 [0,1,1,0,0,0|2,0,0]=4 1698 B12R1.71 C#CCSc1ccc(cc1)C=O 62a_100000038162_100000188517 [0,1,1,0,0,0|1,1,0]=4 1699 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,1,1,0,0,0|2,0,0]=4 1700 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,1,1,0,0,0|2,0,0]=4 1701 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,1,1,0,0,0|2,0,0]=4 1702 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,1,1,0,0,0|1,1,0]=4 1703 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,1,1,0,0,0|1,1,0]=4 1704 B12R1.71 C=Cc1ccc(cc1)C#CCO 271570a_100011290941_100009814260 [0,1,1,0,0,0|2,0,0]=4 1705 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,1,1,0,0,0|2,0,0]=4 1706 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [0,1,1,0,0,0|2,0,0]=4 1707 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [0,1,1,0,0,0|2,0,0]=4 1708 B12R1.71 C=Cc1ccc(cc1)COCC 271570a_100011290941_100000758564 [0,1,1,0,0,0|2,0,0]=4 1709 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100000073583_100000210202 [0,1,1,0,0,0|2,0,0]=4 1710 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100121572206_100000034074 [0,1,1,0,0,0|2,0,0]=4 1711 B12R1.71 C=Cc1ccc(cc1)COCC 7a_100000073583_100000210202 [0,1,1,0,0,0|2,0,0]=4 1712 B12R1.71 C=Cc1ccc(cc1)COCF 34a_100000073583_100015361967 [0,1,1,0,0,0|2,0,0]=4 1713 B12R1.71 C=Cc1ccc(cc1)COCF 7a_100000073583_100015361967 [0,1,1,0,0,0|2,0,0]=4 1714 B12R1.71 C=Cc1ccc(cc1)NCCO 34a_100011218248_100000211926 [0,1,1,0,0,0|2,0,0]=4 1715 B12R1.71 C=Cc1ccc(cc1)OCC#N 271570a_100011290941_200000169425 [0,1,1,0,0,0|2,0,0]=4 1716 B12R1.71 C=Cc1ccc(cc1)OCC#N 7a_100000189437_100011215382 [0,1,1,0,0,0|2,0,0]=4 1717 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,1,1,0,0,0|1,0,1]=4 1718 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,1,1,0,0,0|1,0,1]=4 1719 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,1,1,0,0,0|2,0,0]=4 1720 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,1,1,0,0,0|2,0,0]=4 1721 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,1,1,0,0,0|2,0,0]=4 1722 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,1,1,0,0,0|2,0,0]=4 1723 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,1,1,0,0,0|2,0,0]=4 1724 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,1,1,0,0,0|2,0,0]=4 1725 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,1,1,0,0,0|2,0,0]=4 1726 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,1,1,0,0,0|1,0,0]=3 1727 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,1,1,0,0,0|1,0,0]=3 1728 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,1,1,0,0,0|1,0,0]=3 1729 B12R1.71 C=Cc1ccc(cc1)OCOC 271570a_100011290941_100012265687 [0,1,1,0,0,0|1,0,0]=3 1730 B12R1.71 C=Cc1ccc(cc1)OCSC 34a_100000189437_100011218213 [0,1,1,0,0,0|1,1,0]=4 1731 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000211926_100000748128 [0,1,1,0,0,0|1,1,0]=4 1732 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000748128_100000211926 [0,1,1,0,0,0|1,1,0]=4 1733 B12R1.71 C=Cc1ccc(cc1)SCOC 62a_100000748128_100000766300 [0,1,1,0,0,0|1,1,0]=4 1734 B12R1.71 C=Cc1ccc(cc1)SCOC 62a_100000766300_100000748128 [0,1,1,0,0,0|1,1,0]=4 1735 B12R1.71 C=Cc1ccc(cn1)OCCO 271570a_100011290941_200013150534 [0,1,1,0,0,0|2,0,0]=4 1736 B12R1.71 C=Cc1ccc(cn1)OCOC 271570a_100011290941_100012568617 [0,1,1,0,0,0|2,0,0]=4 1737 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,1,1,0,0,0|2,0,0]=4 1738 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [0,1,1,0,0,0|1,1,0]=4 1739 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [0,1,1,0,0,0|1,1,0]=4 1740 B12R1.71 CCNCc1ccc(cc1)C=O 2230a_100015525214_100009816848 [0,1,1,0,0,0|2,0,0]=4 1741 B12R1.71 CCOCc1ccc(cc1)C=O 34a_100121572206_100009816848 [0,1,1,0,0,0|1,0,0]=3 1742 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100000210202_100009816848 [0,1,1,0,0,0|1,1,0]=4 1743 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100009816848_100000210202 [0,1,1,0,0,0|1,1,0]=4 1744 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,1,1,0,0,0|1,0,1]=4 1745 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,1,1,0,0,0|1,0,1]=4 1746 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,1,1,0,0,0|2,0,0]=4 1747 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,1,1,0,0,0|2,0,0]=4 1748 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,1,1,0,0,0|2,0,0]=4 1749 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,1,1,0,0,0|2,0,0]=4 1750 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,1,1,0,0,0|2,0,0]=4 1751 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,1,1,0,0,0|2,0,0]=4 1752 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,1,1,0,0,0|2,0,0]=4 1753 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,1,1,0,0,0|2,0,0]=4 1754 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,1,1,0,0,0|2,0,0]=4 1755 B12R1.71 COCSc1ccc(cc1)C=O 62a_100000188517_100000766300 [0,1,1,0,0,0|0,1,0]=3 1756 B12R1.71 COCSc1ccc(cc1)C=O 62a_100000766300_100000188517 [0,1,1,0,0,0|0,1,0]=3 1757 B12R1.71 COCSc1ccc(cn1)C=O 62a_100000766300_100000766901 [0,1,1,0,0,0|1,1,0]=4 1758 B12R1.71 COCSc1ccc(cn1)C=O 62a_100000766901_100000766300 [0,1,1,0,0,0|1,1,0]=4 1759 B12R1.71 COCSc1ccc(nc1)C=O 62a_100000754260_100000766300 [0,1,1,0,0,0|1,1,0]=4 1760 B12R1.71 COCSc1ccc(nc1)C=O 62a_100000766300_100000754260 [0,1,1,0,0,0|1,1,0]=4 1761 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,1,1,0,0,0|2,0,0]=4 1762 B12R1.71 CSCSc1ccc(cc1)C=O 62a_100000188517_100011218213 [0,1,1,0,0,0|0,2,0]=4 1763 B12R1.71 CSCSc1ccc(cc1)C=O 62a_100011218213_100000188517 [0,1,1,0,0,0|0,2,0]=4 1764 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,1,1,0,0,0|2,0,0]=4 1765 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,1,1,0,0,0|2,0,0]=4 1766 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,1,1,0,0,0|2,0,0]=4 1767 B12R1.71 N#CCSc1ccc(cc1)C=O 62a_100000188517_100011215382 [0,1,1,0,0,0|1,1,0]=4 1768 B12R1.71 N#CCSc1ccc(cc1)C=O 62a_100011215382_100000188517 [0,1,1,0,0,0|1,1,0]=4 1769 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,1,1,0,0,0|1,0,1]=4 1770 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,1,1,0,0,0|1,0,1]=4 1771 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,1,1,0,0,0|1,0,1]=4 1772 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,1,1,0,0,0|0,1,1]=4 1773 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,1,1,0,0,0|0,1,1]=4 1774 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100009816848_100015361967 [0,1,1,0,0,0|1,1,0]=4 1775 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100015361967_100009816848 [0,1,1,0,0,0|1,1,0]=4 1776 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100000188517_100011217306 [0,1,1,0,0,0|1,1,0]=4 1777 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100011217306_100000188517 [0,1,1,0,0,0|1,1,0]=4 1778 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [0,1,1,0,0,0|0,1,0]=3 1779 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [0,1,1,0,0,0|0,1,0]=3 1780 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000211926_100000754260 [0,1,1,0,0,0|1,1,0]=4 1781 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000754260_100000211926 [0,1,1,0,0,0|1,1,0]=4 1782 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000211926_100000766901 [0,1,1,0,0,0|1,1,0]=4 1783 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000766901_100000211926 [0,1,1,0,0,0|1,1,0]=4 1784 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,1,1,0,0,0|0,0,2]=4 1785 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,1,1,0,0,0|2,0,0]=4 1786 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,1,1,0,0,0|2,0,0]=4 1787 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,1,1,0,0,0|2,0,0]=4 1788 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,1,1,0,0,0|2,0,0]=4 1789 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,1,0,0,0|2,0,0]=4 1790 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,1,1,0,0,0|2,0,0]=4 1791 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,1,1,0,0,0|2,0,0]=4 1792 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,1,1,0,0,0|2,0,0]=4 1793 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,1,1,0,0,0|2,0,0]=4 1794 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,1,1,0,0,0|2,0,0]=4 1795 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,1,0,0,0|1,0,0]=3 1796 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,1,0,0,0|1,0,0]=3 1797 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,1,0,0,0|1,0,0]=3 1798 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,1,0,0,0|1,1,0]=4 1799 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,1,0,0,0|1,1,0]=4 1800 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [0,1,1,0,0,0|2,0,0]=4 1801 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [0,1,1,0,0,0|2,0,0]=4 1802 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,1,0,0,0|2,0,0]=4 1803 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,1,0,0,0|2,0,0]=4 1804 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,1,1,0,0,0|2,0,0]=4 1805 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,1,1,0,0,0|2,0,0]=4 1806 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,1,0,0,0|1,0,0]=3 1807 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,1,0,0,0|1,0,0]=3 1808 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,1,0,0,0|1,0,0]=3 1809 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,1,1,0,0,0|1,0,0]=3 1810 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,1,1,0,0,0|1,0,0]=3 1811 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,1,0,0,0|1,0,0]=3 1812 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,1,1,0,0,0|2,0,0]=4 1813 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,1,1,0,0,0|2,0,0]=4 1814 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,1,1,0,0,0|2,0,0]=4 1815 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,1,1,0,0,0|2,0,0]=4 1816 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,1,1,0,0,0|2,0,0]=4 1817 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,1,1,0,0,0|2,0,0]=4 1818 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,1,0,0,0|1,1,0]=4 1819 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,1,0,0,0|1,1,0]=4 1820 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,1,0,0,0|1,1,0]=4 1821 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,1,1,0,0,0|1,1,0]=4 1822 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,1,1,0,0,0|1,1,0]=4 1823 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,1,0,0,0|1,1,0]=4 1824 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,1,1,0,0,0|2,0,0]=4 1825 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,1,1,0,0,0|2,0,0]=4 1826 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,1,1,0,0,0|2,0,0]=4 1827 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,1,1,0,0,0|1,0,0]=3 1828 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,1,1,0,0,0|1,0,0]=3 1829 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,1,1,0,0,0|1,1,0]=4 1830 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,1,1,0,0,0|1,1,0]=4 1831 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,1,1,0,0,0|2,0,0]=4 1832 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,1,1,0,0,0|2,0,0]=4 1833 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,1,0,0,0|1,0,0]=3 1834 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [0,1,1,0,0,0|2,0,0]=4 1835 B12R1.114 C=Cc1ccc(c(c1)F)CCO 271570a_100011290941_100011962869 [0,1,1,0,0,0|2,0,0]=4 1836 B12R1.114 C=Cc1ccc(c(c1)F)OCC 271570a_100011290941_200000171753 [0,1,1,0,0,0|2,0,0]=4 1837 B12R1.114 C=Cc1ccc(c(c1)N)OCC 271570a_100011290941_100000751366 [0,1,1,0,0,0|2,0,0]=4 1838 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [0,1,1,0,0,0|1,0,0]=3 1839 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [0,1,1,0,0,0|1,1,0]=4 1840 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [0,1,1,0,0,0|1,1,0]=4 1841 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000210202_100000686674 [0,1,1,0,0,0|1,1,0]=4 1842 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000686674_100000210202 [0,1,1,0,0,0|1,1,0]=4 1843 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [0,1,1,0,0,0|1,1,0]=4 1844 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [0,1,1,0,0,0|1,1,0]=4 1845 B12R1.114 Cc1cc(ccc1SCF)C=O 62a_100000765772_100015361967 [0,1,1,0,0,0|1,1,0]=4 1846 B12R1.114 Cc1cc(ccc1SCF)C=O 62a_100015361967_100000765772 [0,1,1,0,0,0|1,1,0]=4 1847 B12R1.114 O=Cc1ccc(c(c1)F)SCF 62a_100000686674_100015361967 [0,1,1,0,0,0|1,1,0]=4 1848 B12R1.114 O=Cc1ccc(c(c1)F)SCF 62a_100015361967_100000686674 [0,1,1,0,0,0|1,1,0]=4 1849 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100000041418_100015361967 [0,1,1,0,0,0|1,1,0]=4 1850 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100015361967_100000041418 [0,1,1,0,0,0|1,1,0]=4 1851 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [0,1,1,0,0,0|2,0,0]=4 1852 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [0,1,1,0,0,0|2,0,0]=4 1853 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,1,1,0,0,0|2,0,0]=4 1854 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,1,1,0,0,0|2,0,0]=4 1855 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,1,1,0,0,0|2,0,0]=4 1856 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,1,1,0,0,0|2,0,0]=4 1857 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,1,1,0,0,0|2,0,0]=4 1858 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,1,1,0,0,0|2,0,0]=4 1859 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,1,1,0,0,0|1,1,0]=4 1860 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,1,1,0,0,0|1,1,0]=4 1861 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,1,1,0,0,0|1,1,0]=4 1862 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,1,1,0,0,0|1,1,0]=4 1863 B12R1.288 C=Cc1ccc(cc1C)OCC 271570a_100011290941_100012344538 [0,1,1,0,0,0|2,0,0]=4 1864 B12R1.288 C=Cc1ccc(cc1F)CCO 271570a_100011290941_100012921202 [0,1,1,0,0,0|2,0,0]=4 1865 B12R1.288 C=Cc1ccc(cc1F)OCC 271570a_100011290941_100000692347 [0,1,1,0,0,0|2,0,0]=4 1866 B12R1.288 CCOc1ccc(c(c1)O)C=O 271570a_203496583355_200012721597 [0,1,1,0,0,0|1,0,0]=3 1867 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100000210202_100010185650 [0,1,1,0,0,0|1,1,0]=4 1868 B12R1.288 CCSc1ccc(c(c1)Br)C=O 62a_100010185650_100000210202 [0,1,1,0,0,0|1,1,0]=4 1869 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000210202_100000766358 [0,1,1,0,0,0|1,1,0]=4 1870 B12R1.288 CCSc1ccc(c(c1)C)C=O 62a_100000766358_100000210202 [0,1,1,0,0,0|1,1,0]=4 1871 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000210202_100000727542 [0,1,1,0,0,0|1,1,0]=4 1872 B12R1.288 CCSc1ccc(c(c1)Cl)C=O 62a_100000727542_100000210202 [0,1,1,0,0,0|1,1,0]=4 1873 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000210202_100000211676 [0,1,1,0,0,0|1,1,0]=4 1874 B12R1.288 CCSc1ccc(c(c1)F)C=O 62a_100000211676_100000210202 [0,1,1,0,0,0|1,1,0]=4 1875 B12R1.288 CCSc1ccc(c(c1)N)C=O 62a_100009814810_100000210202 [0,1,1,0,0,0|1,1,0]=4 1876 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100000210202_100011277552 [0,1,1,0,0,0|1,1,0]=4 1877 B12R1.288 CCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210202 [0,1,1,0,0,0|1,1,0]=4 1878 B12R1.288 Cc1cc(ccc1C=O)SCF 62a_100000766358_100015361967 [0,1,1,0,0,0|1,1,0]=4 1879 B12R1.288 Cc1cc(ccc1C=O)SCF 62a_100015361967_100000766358 [0,1,1,0,0,0|1,1,0]=4 1880 B12R1.288 Nc1cc(ccc1C=O)SCF 62a_100009814810_100015361967 [0,1,1,0,0,0|1,1,0]=4 1881 B12R1.288 O=Cc1ccc(cc1Br)SCF 62a_100010185650_100015361967 [0,1,1,0,0,0|1,1,0]=4 1882 B12R1.288 O=Cc1ccc(cc1Br)SCF 62a_100015361967_100010185650 [0,1,1,0,0,0|1,1,0]=4 1883 B12R1.288 O=Cc1ccc(cc1Cl)SCF 62a_100000727542_100015361967 [0,1,1,0,0,0|1,1,0]=4 1884 B12R1.288 O=Cc1ccc(cc1Cl)SCF 62a_100015361967_100000727542 [0,1,1,0,0,0|1,1,0]=4 1885 B12R1.288 O=Cc1ccc(cc1F)SCF 62a_100000211676_100015361967 [0,1,1,0,0,0|1,1,0]=4 1886 B12R1.288 O=Cc1ccc(cc1F)SCF 62a_100015361967_100000211676 [0,1,1,0,0,0|1,1,0]=4 1887 B12R1.288 O=Cc1ccc(cc1O)SCF 62a_100011277552_100015361967 [0,1,1,0,0,0|1,1,0]=4 1888 B12R1.288 O=Cc1ccc(cc1O)SCF 62a_100015361967_100011277552 [0,1,1,0,0,0|1,1,0]=4 1889 B12R1.41 C=Cc1cc(cc(c1)CCO)F 271570a_100011290941_100012630564 [0,1,1,0,0,0|2,0,0]=4 1890 B12R1.41 C=Cc1cc(cc(c1)OCC)F 271570a_100011290941_100012343907 [0,1,1,0,0,0|2,0,0]=4 1891 B12R1.41 CCSc1cc(cc(c1)C=O)Br 62a_100000210202_100010185649 [0,1,1,0,0,0|1,1,0]=4 1892 B12R1.41 CCSc1cc(cc(c1)C=O)Br 62a_100010185649_100000210202 [0,1,1,0,0,0|1,1,0]=4 1893 B12R1.41 CCSc1cc(cc(c1)C=O)C 62a_100000210202_100000686105 [0,1,1,0,0,0|1,1,0]=4 1894 B12R1.41 CCSc1cc(cc(c1)C=O)C 62a_100000686105_100000210202 [0,1,1,0,0,0|1,1,0]=4 1895 B12R1.41 CCSc1cc(cc(c1)C=O)F 62a_100000210202_100011794424 [0,1,1,0,0,0|1,1,0]=4 1896 B12R1.41 CCSc1cc(cc(c1)C=O)F 62a_100011794424_100000210202 [0,1,1,0,0,0|1,1,0]=4 1897 B12R1.41 CCSc1cc(cc(c1)C=O)O 62a_100000210202_100010176088 [0,1,1,0,0,0|1,1,0]=4 1898 B12R1.41 CCSc1cc(cc(c1)C=O)O 62a_100010176088_100000210202 [0,1,1,0,0,0|1,1,0]=4 1899 B12R1.41 Cc1cc(cc(c1)SCF)C=O 62a_100000686105_100015361967 [0,1,1,0,0,0|1,1,0]=4 1900 B12R1.41 Cc1cc(cc(c1)SCF)C=O 62a_100015361967_100000686105 [0,1,1,0,0,0|1,1,0]=4 1901 B12R1.41 O=Cc1cc(cc(c1)SCF)Br 62a_100010185649_100015361967 [0,1,1,0,0,0|1,1,0]=4 1902 B12R1.41 O=Cc1cc(cc(c1)SCF)Br 62a_100015361967_100010185649 [0,1,1,0,0,0|1,1,0]=4 1903 B12R1.41 O=Cc1cc(cc(c1)SCF)F 62a_100011794424_100015361967 [0,1,1,0,0,0|1,1,0]=4 1904 B12R1.41 O=Cc1cc(cc(c1)SCF)F 62a_100015361967_100011794424 [0,1,1,0,0,0|1,1,0]=4 1905 B12R1.41 O=Cc1cc(cc(c1)SCF)O 62a_100010176088_100015361967 [0,1,1,0,0,0|1,1,0]=4 1906 B12R1.41 O=Cc1cc(cc(c1)SCF)O 62a_100015361967_100010176088 [0,1,1,0,0,0|1,1,0]=4 1907 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [0,1,1,0,0,0|2,0,0]=4 1908 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [0,1,1,0,0,0|2,0,0]=4 1909 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [0,1,1,0,0,0|2,0,0]=4 1910 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [0,1,1,0,0,0|1,0,0]=3 1911 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100000210202_100010146563 [0,1,1,0,0,0|1,1,0]=4 1912 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210202 [0,1,1,0,0,0|1,1,0]=4 1913 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000210202_100000695567 [0,1,1,0,0,0|1,1,0]=4 1914 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000695567_100000210202 [0,1,1,0,0,0|1,1,0]=4 1915 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100000210202_100010209939 [0,1,1,0,0,0|1,1,0]=4 1916 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210202 [0,1,1,0,0,0|1,1,0]=4 1917 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000210202_100000211747 [0,1,1,0,0,0|1,1,0]=4 1918 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000211747_100000210202 [0,1,1,0,0,0|1,1,0]=4 1919 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [0,1,1,0,0,0|1,1,0]=4 1920 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [0,1,1,0,0,0|1,1,0]=4 1921 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100000695567_100015361967 [0,1,1,0,0,0|1,1,0]=4 1922 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100015361967_100000695567 [0,1,1,0,0,0|1,1,0]=4 1923 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100010146563_100015361967 [0,1,1,0,0,0|1,1,0]=4 1924 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100015361967_100010146563 [0,1,1,0,0,0|1,1,0]=4 1925 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100010209939_100015361967 [0,1,1,0,0,0|1,1,0]=4 1926 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100010209939 [0,1,1,0,0,0|1,1,0]=4 1927 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100000211747_100015361967 [0,1,1,0,0,0|1,1,0]=4 1928 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100015361967_100000211747 [0,1,1,0,0,0|1,1,0]=4 1929 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [0,1,1,0,0,0|1,1,0]=4 1930 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [0,1,1,0,0,0|1,1,0]=4 1931 B12R1.278 C=C=Cc1cccc(c1)CCO 271570a_100015277604_100011217444 [0,1,1,0,0,0|2,0,0]=4 1932 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [0,1,1,0,0,0|2,0,0]=4 1933 B12R1.278 CC=Cc1cccc(c1)CCO 271570a_100016259895_100011217444 [0,1,1,0,0,0|2,0,0]=4 1934 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [0,1,1,0,0,0|2,0,0]=4 1935 B12R1.278 CCSc1cccc(c1)CC=O 62a_100000210202_200000698211 [0,1,1,0,0,0|1,1,0]=4 1936 B12R1.278 CCSc1cccc(c1)CC=O 62a_200000698211_100000210202 [0,1,1,0,0,0|1,1,0]=4 1937 B12R1.278 O=CCc1cccc(c1)SCF 62a_100015361967_200000698211 [0,1,1,0,0,0|1,1,0]=4 1938 B12R1.278 O=CCc1cccc(c1)SCF 62a_200000698211_100015361967 [0,1,1,0,0,0|1,1,0]=4 1939 B12R1.279 C=C(C)c1cccc(c1)CCO 271570a_100000694244_100011217444 [0,1,1,0,0,0|2,0,0]=4 1940 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,1,1,0,0,0|2,0,0]=4 1941 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,1,1,0,0,0|1,0,0]=3 1942 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,1,1,0,0,0|1,0,0]=3 1943 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,1,1,0,0,0|1,0,0]=3 1944 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,1,1,0,0,0|1,1,0]=4 1945 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,1,1,0,0,0|1,1,0]=4 1946 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,1,1,0,0,0|2,0,0]=4 1947 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,1,1,0,0,0|1,0,0]=3 1948 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,1,1,0,0,0|1,0,0]=3 1949 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,1,1,0,0,0|1,0,0]=3 1950 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,1,1,0,0,0|1,0,0]=3 1951 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,1,1,0,0,0|1,0,0]=3 1952 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,1,1,0,0,0|1,0,0]=3 1953 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [0,1,1,0,0,0|1,1,0]=4 1954 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,1,1,0,0,0|2,0,0]=4 1955 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,1,1,0,0,0|2,0,0]=4 1956 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [0,1,1,0,0,0|2,0,0]=4 1957 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,1,1,0,0,0|1,1,0]=4 1958 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,1,1,0,0,0|1,1,0]=4 1959 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,1,1,0,0,0|1,1,0]=4 1960 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,1,1,0,0,0|1,1,0]=4 1961 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [0,1,1,0,0,0|2,0,0]=4 1962 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,1,1,0,0,0|1,0,0]=3 1963 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,1,1,0,0,0|1,0,0]=3 1964 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [0,1,1,0,0,0|1,1,0]=4 1965 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [0,1,1,0,0,0|1,1,0]=4 1966 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [0,1,1,0,0,0|2,0,0]=4 1967 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [0,1,1,0,0,0|1,1,0]=4 1968 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,1,1,0,0,0|2,0,0]=4 1969 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,1,1,0,0,0|2,0,0]=4 1970 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,1,1,0,0,0|1,0,0]=3 1971 B12R1.280 C=Cc1cccc(c1N)OCC 271570a_100011290941_200103155331 [0,1,1,0,0,0|2,0,0]=4 1972 B12R1.280 CCSc1cccc(c1C)C=O 62a_100000210202_100012179384 [0,1,1,0,0,0|1,1,0]=4 1973 B12R1.280 CCSc1cccc(c1C)C=O 62a_100012179384_100000210202 [0,1,1,0,0,0|1,1,0]=4 1974 B12R1.280 CCSc1cccc(c1F)C=O 62a_100000210202_100000766533 [0,1,1,0,0,0|1,1,0]=4 1975 B12R1.280 CCSc1cccc(c1F)C=O 62a_100000766533_100000210202 [0,1,1,0,0,0|1,1,0]=4 1976 B12R1.280 CCSc1cccc(c1N)C=O 62a_100010144990_100000210202 [0,1,1,0,0,0|1,1,0]=4 1977 B12R1.280 CCSc1cccc(c1O)C=O 62a_100000210202_100010171435 [0,1,1,0,0,0|1,1,0]=4 1978 B12R1.280 Cc1c(cccc1SCF)C=O 62a_100012179384_100015361967 [0,1,1,0,0,0|1,1,0]=4 1979 B12R1.280 Cc1c(cccc1SCF)C=O 62a_100015361967_100012179384 [0,1,1,0,0,0|1,1,0]=4 1980 B12R1.280 Nc1c(cccc1SCF)C=O 62a_100010144990_100015361967 [0,1,1,0,0,0|1,1,0]=4 1981 B12R1.280 O=Cc1cccc(c1F)SCF 62a_100000766533_100015361967 [0,1,1,0,0,0|1,1,0]=4 1982 B12R1.280 O=Cc1cccc(c1F)SCF 62a_100015361967_100000766533 [0,1,1,0,0,0|1,1,0]=4 1983 B12R1.280 O=Cc1cccc(c1O)SCF 62a_100015361967_100010171435 [0,1,1,0,0,0|1,1,0]=4 1984 B12R1.286 C=Cc1cc(ccc1C)OCC 271570a_100011290941_100011099959 [0,1,1,0,0,0|2,0,0]=4 1985 B12R1.286 CCOc1cc(c(cn1)O)C=O 271570a_203496583355_200010223332 [0,1,1,0,0,0|2,0,0]=4 1986 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [0,1,1,0,0,0|1,0,0]=3 1987 B12R1.286 CCSc1ccc(c(c1)C=O)Br 62a_100000210202_100010185652 [0,1,1,0,0,0|1,1,0]=4 1988 B12R1.286 CCSc1ccc(c(c1)C=O)Br 62a_100010185652_100000210202 [0,1,1,0,0,0|1,1,0]=4 1989 B12R1.286 CCSc1ccc(c(c1)C=O)C 62a_100000210202_100011361606 [0,1,1,0,0,0|1,1,0]=4 1990 B12R1.286 CCSc1ccc(c(c1)C=O)C 62a_100011361606_100000210202 [0,1,1,0,0,0|1,1,0]=4 1991 B12R1.286 CCSc1ccc(c(c1)C=O)Cl 62a_100000210202_100010254384 [0,1,1,0,0,0|1,1,0]=4 1992 B12R1.286 CCSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000210202 [0,1,1,0,0,0|1,1,0]=4 1993 B12R1.286 CCSc1ccc(c(c1)C=O)F 62a_100000050626_100000210202 [0,1,1,0,0,0|1,1,0]=4 1994 B12R1.286 CCSc1ccc(c(c1)C=O)F 62a_100000210202_100000050626 [0,1,1,0,0,0|1,1,0]=4 1995 B12R1.286 CCSc1ccc(c(c1)C=O)N 62a_100011935258_100000210202 [0,1,1,0,0,0|1,1,0]=4 1996 B12R1.286 CCSc1ccc(c(c1)C=O)O 62a_100000210202_100000186750 [0,1,1,0,0,0|1,1,0]=4 1997 B12R1.286 Cc1ccc(cc1C=O)SCF 62a_100011361606_100015361967 [0,1,1,0,0,0|1,1,0]=4 1998 B12R1.286 Cc1ccc(cc1C=O)SCF 62a_100015361967_100011361606 [0,1,1,0,0,0|1,1,0]=4 1999 B12R1.286 Nc1ccc(cc1C=O)SCF 62a_100011935258_100015361967 [0,1,1,0,0,0|1,1,0]=4 2000 B12R1.286 O=Cc1cc(ccc1Br)SCF 62a_100010185652_100015361967 [0,1,1,0,0,0|1,1,0]=4 2001 B12R1.286 O=Cc1cc(ccc1Br)SCF 62a_100015361967_100010185652 [0,1,1,0,0,0|1,1,0]=4 2002 B12R1.286 O=Cc1cc(ccc1Cl)SCF 62a_100010254384_100015361967 [0,1,1,0,0,0|1,1,0]=4 2003 B12R1.286 O=Cc1cc(ccc1Cl)SCF 62a_100015361967_100010254384 [0,1,1,0,0,0|1,1,0]=4 2004 B12R1.286 O=Cc1cc(ccc1F)SCF 62a_100000050626_100015361967 [0,1,1,0,0,0|1,1,0]=4 2005 B12R1.286 O=Cc1cc(ccc1F)SCF 62a_100015361967_100000050626 [0,1,1,0,0,0|1,1,0]=4 2006 B12R1.286 O=Cc1cc(ccc1O)SCF 62a_100015361967_100000186750 [0,1,1,0,0,0|1,1,0]=4 2007 B12R1.382 C#CCOc1cccc(c1)C=C 34a_100011309434_100000184674 [0,1,1,0,0,0|2,0,0]=4 2008 B12R1.382 C#CCOc1cccc(c1)C=C 7a_100011309434_100000038162 [0,1,1,0,0,0|2,0,0]=4 2009 B12R1.382 C#CCSc1cccc(c1)C=O 62a_100000038162_100000014684 [0,1,1,0,0,0|1,1,0]=4 2010 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [0,1,1,0,0,0|1,0,1]=4 2011 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [0,1,1,0,0,0|1,0,1]=4 2012 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [0,1,1,0,0,0|2,0,0]=4 2013 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [0,1,1,0,0,0|2,0,0]=4 2014 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000014684_100000210623 [0,1,1,0,0,0|1,1,0]=4 2015 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000210623_100000014684 [0,1,1,0,0,0|1,1,0]=4 2016 B12R1.382 C=Cc1cccc(c1)C#CCO 271570a_100011290941_100009814051 [0,1,1,0,0,0|2,0,0]=4 2017 B12R1.382 C=Cc1cccc(c1)CCCO 271570a_100011290941_100011709248 [0,1,1,0,0,0|2,0,0]=4 2018 B12R1.382 C=Cc1cccc(c1)COCC 271570a_100011290941_100011493694 [0,1,1,0,0,0|2,0,0]=4 2019 B12R1.382 C=Cc1cccc(c1)NCCO 34a_100011827668_100000211926 [0,1,1,0,0,0|2,0,0]=4 2020 B12R1.382 C=Cc1cccc(c1)OCC#N 271570a_100011290941_200000169433 [0,1,1,0,0,0|2,0,0]=4 2021 B12R1.382 C=Cc1cccc(c1)OCC#N 7a_100011309434_100011215382 [0,1,1,0,0,0|2,0,0]=4 2022 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,1,1,0,0,0|1,0,1]=4 2023 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,1,1,0,0,0|1,0,1]=4 2024 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,1,1,0,0,0|2,0,0]=4 2025 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,1,1,0,0,0|2,0,0]=4 2026 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,1,1,0,0,0|2,0,0]=4 2027 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,1,1,0,0,0|2,0,0]=4 2028 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,1,1,0,0,0|2,0,0]=4 2029 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,1,1,0,0,0|2,0,0]=4 2030 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,1,1,0,0,0|1,0,0]=3 2031 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,1,1,0,0,0|1,0,0]=3 2032 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,1,1,0,0,0|1,0,0]=3 2033 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [0,1,1,0,0,0|1,0,0]=3 2034 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [0,1,1,0,0,0|1,1,0]=4 2035 B12R1.382 C=Cc1cccc(c1)SCCO 271570a_100011290941_200011756134 [0,1,1,0,0,0|1,1,0]=4 2036 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100000211926_100011215241 [0,1,1,0,0,0|1,1,0]=4 2037 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100011215241_100000211926 [0,1,1,0,0,0|1,1,0]=4 2038 B12R1.382 C=Cc1cccc(c1)SCOC 62a_100000766300_100011215241 [0,1,1,0,0,0|1,1,0]=4 2039 B12R1.382 C=Cc1cccc(c1)SCOC 62a_100011215241_100000766300 [0,1,1,0,0,0|1,1,0]=4 2040 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [0,1,1,0,0,0|2,0,0]=4 2041 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000014684_100000210303 [0,1,1,0,0,0|1,1,0]=4 2042 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000210303_100000014684 [0,1,1,0,0,0|1,1,0]=4 2043 B12R1.382 CCNCc1cccc(c1)C=O 2230a_100015525214_100009816774 [0,1,1,0,0,0|2,0,0]=4 2044 B12R1.382 CCOCc1cccc(c1)C=O 34a_100121572206_100009816774 [0,1,1,0,0,0|1,0,0]=3 2045 B12R1.382 CCSCc1cccc(c1)C=O 62a_100000210202_100009816774 [0,1,1,0,0,0|1,1,0]=4 2046 B12R1.382 CCSCc1cccc(c1)C=O 62a_100009816774_100000210202 [0,1,1,0,0,0|1,1,0]=4 2047 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [0,1,1,0,0,0|1,0,1]=4 2048 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [0,1,1,0,0,0|1,0,1]=4 2049 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [0,1,1,0,0,0|2,0,0]=4 2050 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [0,1,1,0,0,0|2,0,0]=4 2051 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [0,1,1,0,0,0|2,0,0]=4 2052 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [0,1,1,0,0,0|2,0,0]=4 2053 B12R1.382 CNc1cccc(c1)OCOC 34a_100012265470_200000210301 [0,1,1,0,0,0|2,0,0]=4 2054 B12R1.382 COCOc1cccc(c1)N[13CH3] 34a_100012265470_200025704644 [0,1,1,0,0,0|2,0,0]=4 2055 B12R1.382 COCOc1cccc(c1)SC 62a_100012265688_200000210301 [0,1,1,0,0,0|2,0,0]=4 2056 B12R1.382 COCOc1cccc(c1)SC 62a_200000210301_100012265688 [0,1,1,0,0,0|2,0,0]=4 2057 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_100012265688_200025704644 [0,1,1,0,0,0|2,0,0]=4 2058 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_200025704644_100012265688 [0,1,1,0,0,0|2,0,0]=4 2059 B12R1.382 COCSc1cc(ccn1)C=O 62a_100000766300_100011290808 [0,1,1,0,0,0|1,1,0]=4 2060 B12R1.382 COCSc1cc(ccn1)C=O 62a_100011290808_100000766300 [0,1,1,0,0,0|1,1,0]=4 2061 B12R1.382 COCSc1cccc(c1)C=O 62a_100000014684_100000766300 [0,1,1,0,0,0|0,1,0]=3 2062 B12R1.382 COCSc1cccc(c1)C=O 62a_100000766300_100000014684 [0,1,1,0,0,0|0,1,0]=3 2063 B12R1.382 COCSc1cccc(n1)C=O 62a_100000688028_100000766300 [0,1,1,0,0,0|1,1,0]=4 2064 B12R1.382 COCSc1cccc(n1)C=O 62a_100000766300_100000688028 [0,1,1,0,0,0|1,1,0]=4 2065 B12R1.382 COCSc1ccnc(c1)C=O 62a_100000766300_100011998288 [0,1,1,0,0,0|1,1,0]=4 2066 B12R1.382 COCSc1ccnc(c1)C=O 62a_100011998288_100000766300 [0,1,1,0,0,0|1,1,0]=4 2067 B12R1.382 COCSc1cncc(c1)C=O 62a_100000687066_100000766300 [0,1,1,0,0,0|1,1,0]=4 2068 B12R1.382 COCSc1cncc(c1)C=O 62a_100000766300_100000687066 [0,1,1,0,0,0|1,1,0]=4 2069 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [0,1,1,0,0,0|2,0,0]=4 2070 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [0,1,1,0,0,0|2,0,0]=4 2071 B12R1.382 CSCSc1cccc(c1)C=O 62a_100000014684_100011218213 [0,1,1,0,0,0|0,2,0]=4 2072 B12R1.382 CSCSc1cccc(c1)C=O 62a_100011218213_100000014684 [0,1,1,0,0,0|0,2,0]=4 2073 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [0,1,1,0,0,0|2,0,0]=4 2074 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [0,1,1,0,0,0|2,0,0]=4 2075 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [0,1,1,0,0,0|2,0,0]=4 2076 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [0,1,1,0,0,0|2,0,0]=4 2077 B12R1.382 N#CCSc1cccc(c1)C=O 62a_100000014684_100011215382 [0,1,1,0,0,0|1,1,0]=4 2078 B12R1.382 N#CCSc1cccc(c1)C=O 62a_100011215382_100000014684 [0,1,1,0,0,0|1,1,0]=4 2079 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [0,1,1,0,0,0|1,0,1]=4 2080 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [0,1,1,0,0,0|1,0,1]=4 2081 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [0,1,1,0,0,0|1,0,1]=4 2082 B12R1.382 O=CCSc1cccc(c1)C=O 62a_100000014684_200015260668 [0,1,1,0,0,0|0,1,1]=4 2083 B12R1.382 O=CCSc1cccc(c1)C=O 62a_200015260668_100000014684 [0,1,1,0,0,0|0,1,1]=4 2084 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100000211926_100011998288 [0,1,1,0,0,0|1,1,0]=4 2085 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100011998288_100000211926 [0,1,1,0,0,0|1,1,0]=4 2086 B12R1.382 O=Cc1cccc(c1)CSCF 62a_100009816774_100015361967 [0,1,1,0,0,0|1,1,0]=4 2087 B12R1.382 O=Cc1cccc(c1)CSCF 62a_100015361967_100009816774 [0,1,1,0,0,0|1,1,0]=4 2088 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100000014684_100011217306 [0,1,1,0,0,0|1,1,0]=4 2089 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100011217306_100000014684 [0,1,1,0,0,0|1,1,0]=4 2090 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000014684_100000211926 [0,1,1,0,0,0|0,1,0]=3 2091 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000211926_100000014684 [0,1,1,0,0,0|0,1,0]=3 2092 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000211926_100000688028 [0,1,1,0,0,0|1,1,0]=4 2093 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000688028_100000211926 [0,1,1,0,0,0|1,1,0]=4 2094 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100000211926_100011290808 [0,1,1,0,0,0|1,1,0]=4 2095 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100011290808_100000211926 [0,1,1,0,0,0|1,1,0]=4 2096 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000211926_100000687066 [0,1,1,0,0,0|1,1,0]=4 2097 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000687066_100000211926 [0,1,1,0,0,0|1,1,0]=4 2098 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [0,1,1,0,0,0|1,0,1]=4 2099 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [0,1,1,0,0,0|1,0,1]=4 2100 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,1,1,0,0,0|1,0,1]=4 2101 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,1,1,0,0,0|1,0,1]=4 2102 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [0,1,1,0,0,0|0,0,2]=4 2103 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [0,1,1,0,0,0|0,0,2]=4 2104 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [0,1,1,0,0,0|2,0,0]=4 2105 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [0,1,1,0,0,0|2,0,0]=4 2106 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [0,1,1,0,0,0|2,0,0]=4 2107 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [0,1,1,0,0,0|2,0,0]=4 2108 B12R1.435 C=Cc1cccc(c1)C(N)CO 271570a_100011290941_100000690078 [0,1,1,0,0,0|2,0,0]=4 2109 B12R1.438 C=Cc1cccc(c1)OC(C)C 271570a_100011290941_100000170003 [0,1,1,0,0,0|2,0,0]=4 2110 B12R1.438 C=Cc1cccc(c1)OC(C)C 34a_100011309434_100000210206 [0,1,1,0,0,0|2,0,0]=4 2111 B12R1.438 C=Cc1cccc(c1)OC(C)C 7a_100011309434_100000210206 [0,1,1,0,0,0|2,0,0]=4 2112 B12R1.438 C=Cc1cccc(c1)OC(F)F 271570a_100011290941_100000179092 [0,1,1,0,0,0|2,0,0]=4 2113 B12R1.438 CC(C)Sc1cccc(c1)C=O 62a_100000014684_100000210206 [0,1,1,0,0,0|1,1,0]=4 2114 B12R1.438 CC(C)Sc1cccc(c1)C=O 62a_100000210206_100000014684 [0,1,1,0,0,0|1,1,0]=4 2115 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [0,1,1,0,0,0|2,0,0]=4 2116 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,1,1,0,0,0|2,0,0]=4 2117 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,1,1,0,0,0|2,0,0]=4 2118 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,1,1,0,0,0|2,0,0]=4 2119 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,1,1,0,0,0|2,0,0]=4 2120 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,1,1,0,0,0|2,0,0]=4 2121 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,1,0,0,0|1,0,0]=3 2122 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [0,1,1,0,0,0|2,0,0]=4 2123 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,1,0,0,0|1,0,1]=4 2124 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,1,0,0,0|1,0,0]=3 2125 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,1,0,0,0|1,0,0]=3 2126 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,1,0,0,0|1,1,0]=4 2127 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,1,0,0,0|1,1,0]=4 2128 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,1,0,0,0|1,0,0]=3 2129 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,1,0,0,0|1,0,0]=3 2130 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,1,0,0,0|1,1,0]=4 2131 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,1,0,0,0|1,1,0]=4 2132 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,1,0,0,0|1,0,0]=3 2133 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,1,0,0,0|1,0,0]=3 2134 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,1,0,0,0|1,0,0]=3 2135 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,1,0,0,0|1,0,0]=3 2136 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,1,0,0,0|1,1,0]=4 2137 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,1,0,0,0|1,1,0]=4 2138 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,1,0,0,0|1,0,0]=3 2139 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,1,0,0,0|1,0,0]=3 2140 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,1,0,0,0|1,1,0]=4 2141 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,1,0,0,0|2,0,0]=4 2142 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,1,0,0,0|2,0,0]=4 2143 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,1,0,0,0|1,0,0]=3 2144 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,1,0,0,0|1,0,0]=3 2145 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,1,0,0,0|2,0,0]=4 2146 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,1,0,0,0|2,0,0]=4 2147 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,1,0,0,0|2,0,0]=4 2148 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,1,0,0,0|2,0,0]=4 2149 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,1,0,0,0|2,0,0]=4 2150 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,1,0,0,0|1,0,0]=3 2151 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,1,0,0,0|1,0,0]=3 2152 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,1,0,0,0|1,0,0]=3 2153 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,1,0,0,0|1,0,0]=3 2154 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,1,1,0,0,0|2,0,0]=4 2155 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,1,1,0,0,0|2,0,0]=4 2156 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,1,0,0,0|1,0,0]=3 2157 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,1,0,0,0|1,0,0]=3 2158 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,1,0,0,0|1,0,0]=3 2159 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,1,0,0,0|1,0,0]=3 2160 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,1,1,0,0,0|2,0,0]=4 2161 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,1,1,0,0,0|2,0,0]=4 2162 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,1,0,0,0|1,0,0]=3 2163 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,1,0,0,0|1,0,0]=3 2164 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,1,0,0,0|1,0,0]=3 2165 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,1,0,0,0|1,0,0]=3 2166 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,1,0,0,0|1,0,0]=3 2167 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,1,0,0,0|1,0,0]=3 2168 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,1,1,0,0,0|2,0,0]=4 2169 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,1,1,0,0,0|2,0,0]=4 2170 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,1,0,0,0|1,0,0]=3 2171 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,1,0,0,0|1,0,0]=3 2172 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,1,0,0,0|1,0,0]=3 2173 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,1,0,0,0|1,0,0]=3 2174 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,1,1,0,0,0|2,0,0]=4 2175 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,1,1,0,0,0|2,0,0]=4 2176 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,1,0,0,0|1,0,0]=3 2177 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,1,0,0,0|1,0,0]=3 2178 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,1,1,0,0,0|2,0,0]=4 2179 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,1,1,0,0,0|2,0,0]=4 2180 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,1,0,0,0|1,0,0]=3 2181 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,1,0,0,0|1,0,0]=3 2182 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,1,1,0,0,0|2,0,0]=4 2183 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,1,0,0,0|2,0,0]=4 2184 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,1,0,0,0|0,0,0]=2 2185 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,1,0,0,0|0,0,0]=2 2186 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,1,0,0,0|0,0,0]=2 2187 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,1,0,0,0|0,0,2]=4 2188 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,1,0,0,0|1,1,0]=4 2189 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,1,0,0,0|1,1,0]=4 2190 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,1,0,0,0|1,1,0]=4 2191 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,1,0,0,0|1,1,0]=4 2192 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,1,0,0,0|1,1,0]=4 2193 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,1,0,0,0|1,1,0]=4 2194 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,1,0,0,0|1,1,0]=4 2195 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,1,0,0,0|1,1,0]=4 2196 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,1,0,0,0|1,1,0]=4 2197 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,1,0,0,0|1,1,0]=4 2198 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,1,0,0,0|1,1,0]=4 2199 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,1,0,0,0|1,1,0]=4 2200 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,1,0,0,0|1,1,0]=4 2201 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,1,0,0,0|0,1,0]=3 2202 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,1,0,0,0|0,1,0]=3 2203 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,1,0,0,0|2,0,0]=4 2204 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,1,0,0,0|2,0,0]=4 2205 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,1,1,0,0,0|2,0,0]=4 2206 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,1,1,0,0,0|2,0,0]=4 2207 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,1,0,0,0|1,1,0]=4 2208 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,1,0,0,0|1,1,0]=4 2209 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,1,1,0,0,0|2,0,0]=4 2210 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,1,1,0,0,0|2,0,0]=4 2211 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,1,0,0,0|1,0,0]=3 2212 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,1,0,0,0|1,0,0]=3 2213 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,1,1,0,0,0|2,0,0]=4 2214 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,1,1,0,0,0|2,0,0]=4 2215 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,1,1,0,0,0|2,0,0]=4 2216 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,1,1,0,0,0|2,0,0]=4 2217 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,1,1,0,0,0|2,0,0]=4 2218 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,1,1,0,0,0|2,0,0]=4 2219 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,1,1,0,0,0|2,0,0]=4 2220 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,1,0,0,0|2,0,0]=4 2221 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,1,0,0,0|1,1,0]=4 2222 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,1,0,0,0|1,1,0]=4 2223 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,1,0,0,0|1,1,0]=4 2224 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,1,0,0,0|1,1,0]=4 2225 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,1,0,0,0|0,1,0]=3 2226 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,1,0,0,0|0,1,0]=3 2227 B12R1.78 C=Cc1cc(ccc1NC)C=O 271570a_100011290941_200010290468 [0,1,1,0,0,0|2,0,0]=4 2228 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,1,1,0,0,0|1,0,0]=3 2229 B12R1.78 C=Cc1cc(cnc1OC)C=O 271570a_100011290941_200010064893 [0,1,1,0,0,0|2,0,0]=4 2230 B12R1.78 C=Cc1cc(ncc1OC)C=O 271570a_100011290941_100010893078 [0,1,1,0,0,0|2,0,0]=4 2231 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,1,1,0,0,0|2,0,0]=4 2232 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,1,1,0,0,0|1,0,1]=4 2233 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,1,1,0,0,0|2,0,0]=4 2234 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,1,1,0,0,0|2,0,0]=4 2235 B12R1.78 C=Cc1ccc(c(c1)CO)CC 271570a_100011290941_100010766240 [0,1,1,0,0,0|2,0,0]=4 2236 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,1,1,0,0,0|1,0,0]=3 2237 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,1,1,0,0,0|2,0,0]=4 2238 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,1,1,0,0,0|1,0,0]=3 2239 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,1,1,0,0,0|1,0,0]=3 2240 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,1,1,0,0,0|1,0,0]=3 2241 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,1,1,0,0,0|1,1,0]=4 2242 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,1,1,0,0,0|1,1,0]=4 2243 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [0,1,1,0,0,0|2,0,0]=4 2244 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [0,1,1,0,0,0|1,0,1]=4 2245 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,1,1,0,0,0|1,0,1]=4 2246 B12R1.78 C=Cc1cnc(c(c1)CO)OC 271570a_100011290941_100000695684 [0,1,1,0,0,0|2,0,0]=4 2247 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [0,1,1,0,0,0|2,0,0]=4 2248 B12R1.78 C=Cc1nc(ccc1OC)C=O 271570a_100011290941_100010174741 [0,1,1,0,0,0|2,0,0]=4 2249 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,1,1,0,0,0|1,0,1]=4 2250 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,1,1,0,0,0|1,0,1]=4 2251 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,1,1,0,0,0|1,0,1]=4 2252 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,1,1,0,0,0|1,0,1]=4 2253 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,1,1,0,0,0|1,0,1]=4 2254 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,1,1,0,0,0|1,0,1]=4 2255 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,1,1,0,0,0|1,0,1]=4 2256 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,1,1,0,0,0|1,0,1]=4 2257 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,1,1,0,0,0|2,0,0]=4 2258 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [0,1,1,0,0,0|1,1,0]=4 2259 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [0,1,1,0,0,0|1,1,0]=4 2260 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [0,1,1,0,0,0|1,1,0]=4 2261 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [0,1,1,0,0,0|1,1,0]=4 2262 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,1,1,0,0,0|1,0,1]=4 2263 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,1,1,0,0,0|1,0,1]=4 2264 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,1,1,0,0,0|1,0,1]=4 2265 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,1,1,0,0,0|0,1,0]=3 2266 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,1,1,0,0,0|0,1,0]=3 2267 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,1,1,0,0,0|0,1,0]=3 2268 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,1,1,0,0,0|0,1,0]=3 2269 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,1,1,0,0,0|2,0,0]=4 2270 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,1,1,0,0,0|2,0,0]=4 2271 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,1,1,0,0,0|2,0,0]=4 2272 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,1,1,0,0,0|2,0,0]=4 2273 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,1,1,0,0,0|2,0,0]=4 2274 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [0,1,1,0,0,0|2,0,0]=4 2275 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [0,1,1,0,0,0|2,0,0]=4 2276 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [0,1,1,0,0,0|2,0,0]=4 2277 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [0,1,1,0,0,0|2,0,0]=4 2278 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,1,1,0,0,0|1,0,1]=4 2279 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,1,1,0,0,0|1,0,1]=4 2280 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,1,1,0,0,0|1,0,1]=4 2281 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,1,1,0,0,0|1,0,1]=4 2282 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,1,1,0,0,0|1,0,1]=4 2283 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,1,1,0,0,0|1,0,1]=4 2284 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,1,1,0,0,0|0,0,2]=4 2285 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,1,1,0,0,0|2,0,0]=4 2286 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,1,1,0,0,0|2,0,0]=4 2287 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,1,1,0,0,0|2,0,0]=4 2288 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,1,1,0,0,0|2,0,0]=4 2289 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,1,1,0,0,0|1,0,1]=4 2290 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,1,1,0,0,0|1,0,1]=4 2291 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,1,1,0,0,0|1,0,1]=4 2292 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,1,1,0,0,0|0,0,2]=4 2293 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,1,1,0,0,0|0,1,0]=3 2294 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,1,1,0,0,0|0,1,0]=3 2295 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,1,1,0,0,0|0,1,0]=3 2296 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,1,1,0,0,0|0,1,0]=3 2297 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,1,1,0,0,0|1,1,0]=4 2298 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,1,1,0,0,0|1,1,0]=4 2299 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,1,1,0,0,0|1,1,0]=4 2300 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,1,1,0,0,0|1,1,0]=4 2301 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [0,1,1,0,0,0|1,1,0]=4 2302 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [0,1,1,0,0,0|1,1,0]=4 2303 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [0,1,1,0,0,0|1,1,0]=4 2304 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [0,1,1,0,0,0|1,1,0]=4 2305 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,1,1,0,0,0|1,1,0]=4 2306 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,1,1,0,0,0|1,1,0]=4 2307 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,1,1,0,0,0|1,1,0]=4 2308 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,1,1,0,0,0|1,1,0]=4 2309 B12R1.78 CSc1ccc(cc1C#N)C=O 62a_200000210301_100010128726 [0,1,1,0,0,0|1,1,0]=4 2310 B12R1.78 CSc1ccc(cc1CO)C=O 62a_100015639582_200000210301 [0,1,1,0,0,0|0,1,0]=3 2311 B12R1.78 CSc1ccc(cc1CO)C=O 62a_200000210301_100015639582 [0,1,1,0,0,0|0,1,0]=3 2312 B12R1.78 [13CH3]Sc1ccc(cc1C#N)C=O 62a_200025704644_100010128726 [0,1,1,0,0,0|1,1,0]=4 2313 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_100015639582_200025704644 [0,1,1,0,0,0|0,1,0]=3 2314 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_200025704644_100015639582 [0,1,1,0,0,0|0,1,0]=3 2315 B12R1.301 C=Cc1cc(c(c(c1)Br)OC)C 271570a_100011290941_100010997178 [0,1,1,0,0,0|2,0,0]=4 2316 B12R1.301 C=Cc1cc(c(c(c1)C)OC)C 271570a_100011290941_100000211903 [0,1,1,0,0,0|2,0,0]=4 2317 B12R1.301 C=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100011290941_200010110313 [0,1,1,0,0,0|2,0,0]=4 2318 B12R1.301 C=Cc1cc(c(c(c1)F)OC)F 271570a_100011290941_100009813559 [0,1,1,0,0,0|2,0,0]=4 2319 B12R1.301 C=Cc1cc(c(c(c1)F)OC)N 271570a_100011290941_200010245146 [0,1,1,0,0,0|2,0,0]=4 2320 B12R1.301 COc1c(cc(cc1C)N=O)C 34a_100000703954_200000210301 [0,1,1,0,0,0|2,0,0]=4 2321 B12R1.301 COc1c(cc(cc1C)N=O)C 7a_100000703954_200000210301 [0,1,1,0,0,0|2,0,0]=4 2322 B12R1.301 COc1c(cc(cc1F)CO)O 271570a_203496583355_100020751559 [0,1,1,0,0,0|0,0,2]=4 2323 B12R1.301 COc1cc(c(c(c1)O)OC)N 271570a_203496583355_100010294495 [0,1,1,0,0,0|2,0,0]=4 2324 B12R1.301 COc1cc(c(c(c1)O)OC)O 271570a_203496583355_200020900881 [0,1,1,0,0,0|2,0,0]=4 2325 B12R1.301 CSc1c(cc(cc1C)C=O)C 62a_100012353953_200000210301 [0,1,1,0,0,0|1,1,0]=4 2326 B12R1.301 CSc1c(cc(cc1C)C=O)C 62a_200000210301_100012353953 [0,1,1,0,0,0|1,1,0]=4 2327 B12R1.301 CSc1c(cc(cc1F)C=O)F 62a_100010074712_200000210301 [0,1,1,0,0,0|1,1,0]=4 2328 B12R1.301 CSc1c(cc(cc1F)C=O)F 62a_200000210301_100010074712 [0,1,1,0,0,0|1,1,0]=4 2329 B12R1.301 Cc1cc(cc(c1O[13CH3])C)N=O 34a_100000703954_200025704644 [0,1,1,0,0,0|2,0,0]=4 2330 B12R1.301 Cc1cc(cc(c1O[13CH3])C)N=O 7a_100000703954_200025704644 [0,1,1,0,0,0|2,0,0]=4 2331 B12R1.301 Cc1cc(cc(c1S[13CH3])C)C=O 62a_100012353953_200025704644 [0,1,1,0,0,0|1,1,0]=4 2332 B12R1.301 Cc1cc(cc(c1S[13CH3])C)C=O 62a_200025704644_100012353953 [0,1,1,0,0,0|1,1,0]=4 2333 B12R1.301 [13CH3]Sc1c(cc(cc1F)C=O)F 62a_100010074712_200025704644 [0,1,1,0,0,0|1,1,0]=4 2334 B12R1.301 [13CH3]Sc1c(cc(cc1F)C=O)F 62a_200025704644_100010074712 [0,1,1,0,0,0|1,1,0]=4 2335 B12R1.450 C=Cc1cc(c(cc1C)OC)C 271570a_100011290941_100000698960 [0,1,1,0,0,0|2,0,0]=4 2336 B12R1.450 C=Cc1cc(c(cc1C)OC)F 271570a_100011290941_100010074640 [0,1,1,0,0,0|2,0,0]=4 2337 B12R1.450 C=Cc1cc(c(cc1Cl)OC)N 271570a_100011290941_100011011177 [0,1,1,0,0,0|2,0,0]=4 2338 B12R1.450 C=Cc1cc(c(cc1F)OC)F 271570a_100011290941_100009813720 [0,1,1,0,0,0|2,0,0]=4 2339 B12R1.450 C=Cc1cc(c(cc1F)OC)N 271570a_100011290941_100012361397 [0,1,1,0,0,0|2,0,0]=4 2340 B12R1.450 C=Cc1cc(c(cc1N)OC)C 271570a_100011290941_100010244135 [0,1,1,0,0,0|2,0,0]=4 2341 B12R1.450 C=Cc1cc(c(cc1N)OC)F 271570a_100011290941_100010208193 [0,1,1,0,0,0|2,0,0]=4 2342 B12R1.450 C=Cc1cc(c(cc1O)C=O)O 271570a_100011290941_100010888506 [0,1,1,0,0,0|1,0,1]=4 2343 B12R1.450 COc1cc(c(cc1C)OC)O 271570a_203496583355_100000039368 [0,1,1,0,0,0|2,0,0]=4 2344 B12R1.450 COc1cc(c(cc1O)C=O)F 271570a_203496583355_100010244998 [0,1,1,0,0,0|0,0,0]=2 2345 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100000183646 [0,1,1,0,0,0|0,0,0]=2 2346 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100009998278 [0,1,1,0,0,0|0,0,0]=2 2347 B12R1.450 COc1cc(c(cc1O)OC)Br 271570a_203496583355_100013799044 [0,1,1,0,0,0|2,0,0]=4 2348 B12R1.450 COc1cc(c(cc1O)OC)Cl 271570a_203496583355_100000023288 [0,1,1,0,0,0|2,0,0]=4 2349 B12R1.450 COc1cc(c(cc1O)OC)O 271570a_203496583355_100009816818 [0,1,1,0,0,0|2,0,0]=4 2350 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_100012024176_200000210301 [0,1,1,0,0,0|1,1,0]=4 2351 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_200000210301_100012024176 [0,1,1,0,0,0|1,1,0]=4 2352 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_100010186291_200000210301 [0,1,1,0,0,0|1,1,0]=4 2353 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_200000210301_100010186291 [0,1,1,0,0,0|1,1,0]=4 2354 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200000210301_200010762526 [0,1,1,0,0,0|1,1,0]=4 2355 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200010762526_200000210301 [0,1,1,0,0,0|1,1,0]=4 2356 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_100010186292_200000210301 [0,1,1,0,0,0|1,1,0]=4 2357 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_200000210301_100010186292 [0,1,1,0,0,0|1,1,0]=4 2358 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_100011998483_200000210301 [0,1,1,0,0,0|1,1,0]=4 2359 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_200000210301_100011998483 [0,1,1,0,0,0|1,1,0]=4 2360 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200000210301_200010762562 [0,1,1,0,0,0|1,1,0]=4 2361 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200010762562_200000210301 [0,1,1,0,0,0|1,1,0]=4 2362 B12R1.450 CSc1cc(c(cc1O)C=O)O 62a_200000210301_100010888506 [0,1,1,0,0,0|0,1,0]=3 2363 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_100012024176_200025704644 [0,1,1,0,0,0|1,1,0]=4 2364 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_200025704644_100012024176 [0,1,1,0,0,0|1,1,0]=4 2365 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_100010186292_200025704644 [0,1,1,0,0,0|1,1,0]=4 2366 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_200025704644_100010186292 [0,1,1,0,0,0|1,1,0]=4 2367 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_100010186291_200025704644 [0,1,1,0,0,0|1,1,0]=4 2368 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100010186291 [0,1,1,0,0,0|1,1,0]=4 2369 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200010762526_200025704644 [0,1,1,0,0,0|1,1,0]=4 2370 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_200010762526 [0,1,1,0,0,0|1,1,0]=4 2371 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_100011998483_200025704644 [0,1,1,0,0,0|1,1,0]=4 2372 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_200025704644_100011998483 [0,1,1,0,0,0|1,1,0]=4 2373 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200010762562_200025704644 [0,1,1,0,0,0|1,1,0]=4 2374 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200025704644_200010762562 [0,1,1,0,0,0|1,1,0]=4 2375 B12R1.450 [13CH3]Sc1cc(c(cc1O)C=O)O 62a_200025704644_100010888506 [0,1,1,0,0,0|0,1,0]=3 2376 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [0,1,1,0,0,0|2,0,0]=4 2377 B12R1.452 C=C(C)c1ccc(cc1F)C=O 271570a_100000694244_100000686674 [0,1,1,0,0,0|2,0,0]=4 2378 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,1,1,0,0,0|1,0,0]=3 2379 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,1,0,0,0|2,0,0]=4 2380 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [0,1,1,0,0,0|1,0,0]=3 2381 B12R1.653 C=Cc1ccc(c(c1C)C)OC 271570a_100011290941_100000049725 [0,1,1,0,0,0|2,0,0]=4 2382 B12R1.653 C=Cc1ccc(c(c1F)F)OC 271570a_100011290941_100009816879 [0,1,1,0,0,0|2,0,0]=4 2383 B12R1.653 COc1ccc(c(c1O)F)OC 271570a_203496583355_200016180952 [0,1,1,0,0,0|2,0,0]=4 2384 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_100015546853_200000210301 [0,1,1,0,0,0|1,1,0]=4 2385 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_200000210301_100015546853 [0,1,1,0,0,0|1,1,0]=4 2386 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_100010209662_200000210301 [0,1,1,0,0,0|1,1,0]=4 2387 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_200000210301_100010209662 [0,1,1,0,0,0|1,1,0]=4 2388 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_100010762540_200000210301 [0,1,1,0,0,0|1,1,0]=4 2389 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_200000210301_100010762540 [0,1,1,0,0,0|1,1,0]=4 2390 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_100015546853_200025704644 [0,1,1,0,0,0|1,1,0]=4 2391 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_100015546853 [0,1,1,0,0,0|1,1,0]=4 2392 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_100010209662_200025704644 [0,1,1,0,0,0|1,1,0]=4 2393 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_200025704644_100010209662 [0,1,1,0,0,0|1,1,0]=4 2394 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_100010762540_200025704644 [0,1,1,0,0,0|1,1,0]=4 2395 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_200025704644_100010762540 [0,1,1,0,0,0|1,1,0]=4 2396 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,1,0,0,0|2,0,0]=4 2397 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,1,1,0,0,0|2,0,0]=4 2398 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,1,1,0,0,0|2,0,0]=4 2399 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,1,1,0,0,0|2,0,0]=4 2400 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,1,1,0,0,0|2,0,0]=4 2401 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,1,1,0,0,0|2,0,0]=4 2402 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,1,0,0,0|1,0,0]=3 2403 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,1,1,0,0,0|2,0,0]=4 2404 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,1,0,0,0|1,0,1]=4 2405 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,1,0,0,0|2,0,0]=4 2406 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,1,0,0,0|2,0,0]=4 2407 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,1,0,0,0|1,0,0]=3 2408 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,1,0,0,0|1,0,0]=3 2409 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,1,0,0,0|1,0,0]=3 2410 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,1,0,0,0|1,0,0]=3 2411 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,1,1,0,0,0|1,1,0]=4 2412 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,1,1,0,0,0|1,1,0]=4 2413 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,1,1,0,0,0|1,1,0]=4 2414 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,1,1,0,0,0|1,1,0]=4 2415 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,1,1,0,0,0|1,1,0]=4 2416 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,1,1,0,0,0|1,1,0]=4 2417 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,1,1,0,0,0|1,1,0]=4 2418 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,1,0,0,0|0,1,0]=3 2419 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,1,1,0,0,0|2,0,0]=4 2420 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,1,1,0,0,0|2,0,0]=4 2421 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,1,1,0,0,0|2,0,0]=4 2422 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,1,1,0,0,0|2,0,0]=4 2423 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,1,1,0,0,0|2,0,0]=4 2424 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,1,1,0,0,0|2,0,0]=4 2425 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,1,1,0,0,0|2,0,0]=4 2426 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,1,1,0,0,0|2,0,0]=4 2427 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,1,1,0,0,0|2,0,0]=4 2428 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,1,1,0,0,0|2,0,0]=4 2429 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,1,0,0,0|2,0,0]=4 2430 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,1,0,0,0|1,0,0]=3 2431 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,1,0,0,0|1,0,0]=3 2432 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,1,0,0,0|1,0,0]=3 2433 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,1,0,0,0|1,0,0]=3 2434 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2435 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2436 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,1,0,0,0|1,0,0]=3 2437 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,1,0,0,0|1,0,0]=3 2438 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,1,0,0,0|1,0,0]=3 2439 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,1,0,0,0|1,0,0]=3 2440 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,1,0,0,0|2,0,0]=4 2441 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,1,0,0,0|2,0,0]=4 2442 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,1,0,0,0|1,0,0]=3 2443 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,1,0,0,0|1,0,0]=3 2444 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,1,0,0,0|2,0,0]=4 2445 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,1,0,0,0|2,0,0]=4 2446 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,1,0,0,0|1,0,0]=3 2447 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,1,0,0,0|1,0,0]=3 2448 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,1,0,0,0|1,0,0]=3 2449 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,1,0,0,0|1,0,0]=3 2450 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,1,0,0,0|2,0,0]=4 2451 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,1,0,0,0|2,0,0]=4 2452 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,1,0,0,0|1,0,0]=3 2453 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,1,0,0,0|1,0,0]=3 2454 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,1,0,0,0|2,0,0]=4 2455 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,1,0,0,0|2,0,0]=4 2456 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,1,0,0,0|1,0,0]=3 2457 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,1,0,0,0|1,0,0]=3 2458 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,1,0,0,0|2,0,0]=4 2459 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,1,0,0,0|2,0,0]=4 2460 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,1,0,0,0|1,0,1]=4 2461 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,1,0,0,0|0,0,0]=2 2462 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,1,0,0,0|0,0,0]=2 2463 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,1,0,0,0|0,0,0]=2 2464 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,1,0,0,0|0,0,0]=2 2465 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,1,0,0,0|1,0,1]=4 2466 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,1,1,0,0,0|1,1,0]=4 2467 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,1,1,0,0,0|1,1,0]=4 2468 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,1,1,0,0,0|1,1,0]=4 2469 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,1,1,0,0,0|1,1,0]=4 2470 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,1,1,0,0,0|1,1,0]=4 2471 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,1,1,0,0,0|1,1,0]=4 2472 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,1,1,0,0,0|1,1,0]=4 2473 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,1,1,0,0,0|1,1,0]=4 2474 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,1,1,0,0,0|1,1,0]=4 2475 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,1,1,0,0,0|1,1,0]=4 2476 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,1,1,0,0,0|1,1,0]=4 2477 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,1,0,0,0|0,1,0]=3 2478 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,1,1,0,0,0|2,0,0]=4 2479 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,1,1,0,0,0|2,0,0]=4 2480 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,1,0,0,0|2,0,0]=4 2481 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,1,0,0,0|2,0,0]=4 2482 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,1,1,0,0,0|1,1,0]=4 2483 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,1,1,0,0,0|1,1,0]=4 2484 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,1,0,0,0|2,0,0]=4 2485 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,1,1,0,0,0|2,0,0]=4 2486 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,1,1,0,0,0|2,0,0]=4 2487 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,1,0,0,0|2,0,0]=4 2488 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,1,0,0,0|1,0,0]=3 2489 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,1,0,0,0|1,0,0]=3 2490 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2491 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2492 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,1,0,0,0|2,0,0]=4 2493 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,1,0,0,0|2,0,0]=4 2494 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,1,0,0,0|2,0,0]=4 2495 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,1,0,0,0|2,0,0]=4 2496 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,1,0,0,0|2,0,0]=4 2497 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,1,0,0,0|2,0,0]=4 2498 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,1,0,0,0|1,0,0]=3 2499 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,1,0,0,0|1,0,0]=3 2500 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,1,0,0,0|2,0,0]=4 2501 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,1,0,0,0|2,0,0]=4 2502 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,1,1,0,0,0|1,1,0]=4 2503 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,1,1,0,0,0|1,1,0]=4 2504 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [0,1,1,0,0,0|2,0,0]=4 2505 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [0,1,1,0,0,0|2,0,0]=4 2506 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [0,1,1,0,0,0|2,0,0]=4 2507 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [0,1,1,0,0,0|2,0,0]=4 2508 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [0,1,1,0,0,0|2,0,0]=4 2509 B12R1.300 C=Cc1cc(cc(c1O)F)C=O 271570a_100011290941_100010295671 [0,1,1,0,0,0|1,0,1]=4 2510 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [0,1,1,0,0,0|2,0,0]=4 2511 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [0,1,1,0,0,0|1,0,1]=4 2512 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [0,1,1,0,0,0|0,0,0]=2 2513 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [0,1,1,0,0,0|0,0,2]=4 2514 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [0,1,1,0,0,0|2,0,0]=4 2515 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [0,1,1,0,0,0|2,0,0]=4 2516 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_100010132949_200000210301 [0,1,1,0,0,0|1,1,0]=4 2517 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_200000210301_100010132949 [0,1,1,0,0,0|1,1,0]=4 2518 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_100010270029_200000210301 [0,1,1,0,0,0|1,1,0]=4 2519 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_200000210301_100010270029 [0,1,1,0,0,0|1,1,0]=4 2520 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200000210301_200010341283 [0,1,1,0,0,0|1,1,0]=4 2521 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200010341283_200000210301 [0,1,1,0,0,0|1,1,0]=4 2522 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [0,1,1,0,0,0|0,1,0]=3 2523 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [0,1,1,0,0,0|0,1,0]=3 2524 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [0,1,1,0,0,0|0,1,0]=3 2525 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_100010132949_200025704644 [0,1,1,0,0,0|1,1,0]=4 2526 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_200025704644_100010132949 [0,1,1,0,0,0|1,1,0]=4 2527 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_100010270029_200025704644 [0,1,1,0,0,0|1,1,0]=4 2528 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_200025704644_100010270029 [0,1,1,0,0,0|1,1,0]=4 2529 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200010341283_200025704644 [0,1,1,0,0,0|1,1,0]=4 2530 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200025704644_200010341283 [0,1,1,0,0,0|1,1,0]=4 2531 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [0,1,1,0,0,0|0,1,0]=3 2532 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [0,1,1,0,0,0|0,1,0]=3 2533 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [0,1,1,0,0,0|0,1,0]=3 2534 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [0,1,1,0,0,0|2,0,0]=4 2535 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [0,1,1,0,0,0|2,0,0]=4 2536 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [0,1,1,0,0,0|2,0,0]=4 2537 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [0,1,1,0,0,0|2,0,0]=4 2538 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [0,1,1,0,0,0|2,0,0]=4 2539 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [0,1,1,0,0,0|2,0,0]=4 2540 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [0,1,1,0,0,0|1,0,0]=3 2541 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [0,1,1,0,0,0|2,0,0]=4 2542 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [0,1,1,0,0,0|2,0,0]=4 2543 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [0,1,1,0,0,0|1,0,1]=4 2544 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [0,1,1,0,0,0|1,0,0]=3 2545 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [0,1,1,0,0,0|0,0,0]=2 2546 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [0,1,1,0,0,0|2,0,0]=4 2547 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [0,1,1,0,0,0|2,0,0]=4 2548 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [0,1,1,0,0,0|2,0,0]=4 2549 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [0,1,1,0,0,0|0,0,0]=2 2550 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [0,1,1,0,0,0|0,0,0]=2 2551 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_100010138641_200000210301 [0,1,1,0,0,0|1,1,0]=4 2552 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_200000210301_100010138641 [0,1,1,0,0,0|1,1,0]=4 2553 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_100009814802_200000210301 [0,1,1,0,0,0|1,1,0]=4 2554 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_200000210301_100009814802 [0,1,1,0,0,0|1,1,0]=4 2555 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200000210301_200010571964 [0,1,1,0,0,0|1,1,0]=4 2556 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200010571964_200000210301 [0,1,1,0,0,0|1,1,0]=4 2557 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_100010175118_200000210301 [0,1,1,0,0,0|1,1,0]=4 2558 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_200000210301_100010175118 [0,1,1,0,0,0|1,1,0]=4 2559 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [0,1,1,0,0,0|0,1,0]=3 2560 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_100010138641_200025704644 [0,1,1,0,0,0|1,1,0]=4 2561 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010138641 [0,1,1,0,0,0|1,1,0]=4 2562 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_100009814802_200025704644 [0,1,1,0,0,0|1,1,0]=4 2563 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_200025704644_100009814802 [0,1,1,0,0,0|1,1,0]=4 2564 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200010571964_200025704644 [0,1,1,0,0,0|1,1,0]=4 2565 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200025704644_200010571964 [0,1,1,0,0,0|1,1,0]=4 2566 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_100010175118_200025704644 [0,1,1,0,0,0|1,1,0]=4 2567 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_200025704644_100010175118 [0,1,1,0,0,0|1,1,0]=4 2568 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [0,1,1,0,0,0|0,1,0]=3 2569 B12R1.453 C=C(C)c1cc(ccc1Br)C=O 271570a_100000694244_100010146563 [0,1,1,0,0,0|2,0,0]=4 2570 B12R1.453 C=C(C)c1cc(ccc1C)C=O 271570a_100000694244_100000695567 [0,1,1,0,0,0|2,0,0]=4 2571 B12R1.453 C=C(C)c1cc(ccc1Cl)C=O 271570a_100000694244_100010209939 [0,1,1,0,0,0|2,0,0]=4 2572 B12R1.453 C=C(C)c1cc(ccc1F)C=O 271570a_100000694244_100000211747 [0,1,1,0,0,0|2,0,0]=4 2573 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,1,1,0,0,0|1,0,0]=3 2574 B12R1.453 C=C(C)c1cc(cnc1O)C=O 271570a_100000694244_100010064886 [0,1,1,0,0,0|2,0,0]=4 2575 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,1,0,0,0|2,0,0]=4 2576 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [0,1,1,0,0,0|2,0,0]=4 2577 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [0,1,1,0,0,0|2,0,0]=4 2578 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [0,1,1,0,0,0|2,0,0]=4 2579 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [0,1,1,0,0,0|2,0,0]=4 2580 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [0,1,1,0,0,0|1,0,1]=4 2581 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [0,1,1,0,0,0|0,0,0]=2 2582 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [0,1,1,0,0,0|2,0,0]=4 2583 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [0,1,1,0,0,0|2,0,0]=4 2584 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_100010381662_200000210301 [0,1,1,0,0,0|1,1,0]=4 2585 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_200000210301_100010381662 [0,1,1,0,0,0|1,1,0]=4 2586 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_100000050342_200000210301 [0,1,1,0,0,0|1,1,0]=4 2587 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_200000210301_100000050342 [0,1,1,0,0,0|1,1,0]=4 2588 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_100010381662_200025704644 [0,1,1,0,0,0|1,1,0]=4 2589 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_200025704644_100010381662 [0,1,1,0,0,0|1,1,0]=4 2590 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_100000050342_200025704644 [0,1,1,0,0,0|1,1,0]=4 2591 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_200025704644_100000050342 [0,1,1,0,0,0|1,1,0]=4 2592 B12R2.82 Cc1c(ccc2c1OCO2)O 271570a_203496583355_100010335860 [1,1,0,0,0,0|0,0,1]=3 2593 B12R2.82 Oc1ccc2c(c1F)OCO2 271570a_203496583355_100010223184 [1,1,0,0,0,0|0,0,1]=3 2594 B12R2.100 Nc1cc2c(cc1O)OCO2 271570a_203496583355_100012557033 [1,1,0,0,0,0|0,0,1]=3 2595 B12R2.100 Oc1cc2c(cc1O)OCO2 271570a_203496583355_100010290809 [1,1,0,0,0,0|0,0,1]=3 2596 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [1,1,0,0,0,0|1,0,1]=4 2597 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [1,1,0,0,0,0|1,0,1]=4 2598 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [1,1,0,0,0,0|1,0,1]=4 2599 B12R2.143 C=C=Cc1ccc2c(c1)CC2 271570a_100015277604_100009818592 [0,1,0,0,1,0|2,0,0]=4 2600 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,1,0,0,1,0|2,0,0]=4 2601 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,1,0,0,1,0|2,0,0]=4 2602 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,0,1,0|1,0,0]=3 2603 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,0,1,0|1,0,0]=3 2604 B14R2.92 C=Cc1ccc2c(c1C)NCCO2 271570a_100011290941_100010271709 [0,1,0,0,0,1|2,0,0]=4 2605 B14R2.92 C=Cc1ccc2c(c1C)OCCO2 271570a_100011290941_100010072848 [0,1,0,0,0,1|1,0,0]=3 2606 B14R2.92 CSc1ccc2c(c1C)OCCO2 62a_100010072848_200000210301 [0,1,0,0,0,1|2,0,0]=4 2607 B14R2.92 CSc1ccc2c(c1C)OCCO2 62a_200000210301_100010072848 [0,1,0,0,0,1|2,0,0]=4 2608 B14R2.92 Cc1c(ccc2c1OCCO2)S[13CH3] 62a_100010072848_200025704644 [0,1,0,0,0,1|2,0,0]=4 2609 B14R2.92 Cc1c(ccc2c1OCCO2)S[13CH3] 62a_200025704644_100010072848 [0,1,0,0,0,1|2,0,0]=4 2610 B14R2.112 C=C=Cc1ccc2c(c1)CCCO2 271570a_100015277604_100011393166 [0,1,0,0,0,1|2,0,0]=4 2611 B14R2.112 C=C=Cc1ccc2c(c1)COCC2 271570a_100015277604_100010128096 [0,1,0,0,0,1|2,0,0]=4 2612 B14R2.112 C=C=Cc1ccc2c(c1)NCCO2 271570a_100015277604_100000708519 [0,1,0,0,0,1|2,0,0]=4 2613 B14R2.112 C=C=Cc1ccc2c(c1)OCCC2 271570a_100015277604_100010700467 [0,1,0,0,0,1|2,0,0]=4 2614 B14R2.112 C=C=Cc1ccc2c(c1)OCCN2 271570a_100015277604_100012355470 [0,1,0,0,0,1|2,0,0]=4 2615 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,1,0,0,0,1|1,0,0]=3 2616 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,1,0,0,0,1|2,0,0]=4 2617 B14R2.112 CC=Cc1ccc2c(c1)COCC2 271570a_100016259895_100010128096 [0,1,0,0,0,1|2,0,0]=4 2618 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,1,0,0,0,1|2,0,0]=4 2619 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,1,0,0,0,1|2,0,0]=4 2620 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,1,0,0,0,1|2,0,0]=4 2621 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,1,0,0,0,1|1,0,0]=3 2622 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,1,0,0,0,1|1,0,1]=4 2623 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,1,0,0,0,1|1,0,1]=4 2624 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,1,0,0,0,1|1,0,1]=4 2625 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,1,0,0,0,1|1,0,1]=4 2626 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,1,0,0,0,1|1,0,1]=4 2627 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,1,0,0,0,1|1,0,1]=4 2628 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,1,0,0,0,1|1,0,1]=4 2629 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,1,0,0,0,1|1,0,1]=4 2630 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,1,0,0,0,1|1,0,1]=4 2631 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,1,0,0,0,1|0,0,2]=4 2632 B14R2.112 FCNc1ccc2c(c1)OCCO2 34a_100020630400_100015361967 [0,1,0,0,0,1|1,0,1]=4 2633 B14R2.112 FCOc1ccc2c(c1)OCCO2 34a_100000234341_100015361967 [0,1,0,0,0,1|1,0,1]=4 2634 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100011216881_100015361967 [0,1,0,0,0,1|1,0,1]=4 2635 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100015361967_100011216881 [0,1,0,0,0,1|1,0,1]=4 2636 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,1,0,0,0,1|1,0,1]=4 2637 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,1,0,0,0,1|1,0,1]=4 2638 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,1,0,0,0,1|0,0,2]=4 2639 B14R2.134 C=Cc1ccc2c(c1)NC(=O)CO2 271570a_100011290941_100000244627 [0,1,0,0,0,1|2,0,0]=4 2640 B14R2.134 C=Cc1ccc2c(c1)OC(CN2)C 271570a_100011290941_200010108538 [0,1,0,0,0,1|2,0,0]=4 2641 B14R2.142 C=Cc1ccc2c(c1)C(=O)CCO2 271570a_100011290941_100000243215 [0,1,0,0,0,1|2,0,0]=4 2642 B14R2.142 C=Cc1ccc2c(c1)C(=O)COC2 271570a_100011290941_100010205901 [0,1,0,0,0,1|2,0,0]=4 2643 B14R2.142 C=Cc1ccc2c(c1)C(CCO2)O 271570a_100011290941_100000760992 [0,1,0,0,0,1|2,0,0]=4 2644 B14R2.142 C=Cc1ccc2c(c1)[C@H](CCO2)N 271570a_100011290941_100020639276 [0,1,0,0,0,1|2,0,0]=4 2645 B14R2.781 C=C(C)c1ccc2c(c1)CCCO2 271570a_100000694244_100011393166 [0,1,0,0,0,1|2,0,0]=4 2646 B14R2.781 C=C(C)c1ccc2c(c1)COCC2 271570a_100000694244_100010128096 [0,1,0,0,0,1|2,0,0]=4 2647 B14R2.781 C=C(C)c1ccc2c(c1)NCCO2 271570a_100000694244_100000708519 [0,1,0,0,0,1|2,0,0]=4 2648 B14R2.781 C=C(C)c1ccc2c(c1)OCCC2 271570a_100000694244_100010700467 [0,1,0,0,0,1|2,0,0]=4 2649 B14R2.781 C=C(C)c1ccc2c(c1)OCCN2 271570a_100000694244_100012355470 [0,1,0,0,0,1|2,0,0]=4 2650 B14R2.781 C=C(C)c1ccc2c(c1)OCCO2 271570a_100000694244_100000184379 [0,1,0,0,0,1|1,0,0]=3 2651 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200000210301 [0,1,0,0,0,1|2,0,0]=4 2652 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200000210301 [0,1,0,0,0,1|1,0,0]=3 2653 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200000210301 [0,1,0,0,0,1|0,0,0]=2 2654 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200025704644 [0,1,0,0,0,1|2,0,0]=4 2655 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200025704644 [0,1,0,0,0,1|1,0,0]=3 2656 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200025704644 [0,1,0,0,0,1|0,0,0]=2 2657 B14R2.1128 C=Cc1cc2c(cc1F)OCCN2 271570a_100011290941_100012568745 [0,1,0,0,0,1|2,0,0]=4 2658 B14R2.1128 CNc1cc2c(cc1Cl)OCCO2 34a_100000739234_200000210301 [0,1,0,0,0,1|2,0,0]=4 2659 B14R2.1128 [13CH3]Nc1cc2c(cc1Cl)OCCO2 34a_100000739234_200025704644 [0,1,0,0,0,1|2,0,0]=4 2660 B14R2.1801 C=Cc1ccc2c(c1)OCCC2=O 271570a_100011290941_100000696939 [0,1,0,0,0,1|2,0,0]=4 2661 B14R2.1801 C=Cc1ccc2c(c1)OCCC2O 271570a_100011290941_100012676011 [0,1,0,0,0,1|2,0,0]=4 2662 B14R2.1801 C=Cc1ccc2c(c1)OCCN2C 271570a_100011290941_100009812848 [0,1,0,0,0,1|2,0,0]=4 2663 B14R2.1801 C=Cc1ccc2c(c1)OCC[C@H]2N 271570a_100011290941_100020639266 [0,1,0,0,0,1|2,0,0]=4 2664 B14R2.2332 C=Cc1ccc2c(c1)CCC(=O)O2 271570a_100011290941_100010179853 [0,1,0,0,0,1|2,0,0]=4 2665 B14R2.2332 C=Cc1ccc2c(c1)OCC(=O)N2 271570a_100011290941_100000745508 [0,1,0,0,0,1|2,0,0]=4 2666 B14R2.808 C=C=Cc1ccc2c(c1C)OCO2 271570a_100015277604_100010335860 [0,2,0,0,0,0|1,0,0]=3 2667 B14R2.808 C=C=Cc1ccc2c(c1F)OCO2 271570a_100015277604_100010223184 [0,2,0,0,0,0|1,0,0]=3 2668 B14R2.808 CC=Cc1ccc2c(c1C)OCO2 271570a_100016259895_100010335860 [0,2,0,0,0,0|1,0,0]=3 2669 B14R2.808 CC=Cc1ccc2c(c1F)OCO2 271570a_100016259895_100010223184 [0,2,0,0,0,0|1,0,0]=3 2670 B14R2.808 CCSc1ccc2c(c1C)OCO2 62a_100010335860_100000210202 [0,2,0,0,0,0|1,0,1]=4 2671 B14R2.808 CCSc1ccc2c(c1F)OCO2 62a_100010223184_100000210202 [0,2,0,0,0,0|1,0,1]=4 2672 B14R2.808 Cc1c(ccc2c1OCO2)SCF 62a_100010335860_100015361967 [0,2,0,0,0,0|1,0,1]=4 2673 B14R2.808 FCSc1ccc2c(c1F)OCO2 62a_100010223184_100015361967 [0,2,0,0,0,0|1,0,1]=4 2674 B14R2.1238 C=Cc1ccc2c(c1C=O)OCO2 271570a_100011290941_100009816621 [0,2,0,0,0,0|1,0,0]=3 2675 B14R2.1238 CSc1ccc2c(c1C=O)OCO2 62a_100009816621_200000210301 [0,2,0,0,0,0|2,0,0]=4 2676 B14R2.1238 [13CH3]Sc1ccc2c(c1C=O)OCO2 62a_100009816621_200025704644 [0,2,0,0,0,0|2,0,0]=4 2677 B14R2.5998 C=C(C)c1ccc2c(c1C)OCO2 271570a_100000694244_100010335860 [0,2,0,0,0,0|1,0,0]=3 2678 B14R2.5998 C=C(C)c1ccc2c(c1F)OCO2 271570a_100000694244_100010223184 [0,2,0,0,0,0|1,0,0]=3 2679 B14R2.5998 CC(=O)c1ccc2c(c1C)OCO2 1458a_100009908537_200000210301 [0,2,0,0,0,0|0,0,0]=2 2680 B14R2.5998 Cc1c(ccc2c1OCO2)C(=O)[13CH3] 1458a_100009908537_200025704644 [0,2,0,0,0,0|0,0,0]=2 2681 B14R2.601 CC(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200000210301 [0,2,0,0,0,0|1,0,1]=4 2682 B14R2.601 CC(=O)c1ccc2c(c1)CC(O2)C 1458a_100000189409_200000210301 [0,2,0,0,0,0|1,0,0]=3 2683 B14R2.601 CC(=O)c1ccc2nc(oc2c1)C 1458a_100000688415_200000210301 [0,2,0,0,0,0|1,0,1]=4 2684 B14R2.601 CC(=O)c1ccc2oc(=O)[nH]c2c1 1458a_100000724434_200000210301 [0,2,0,0,0,0|1,0,1]=4 2685 B14R2.601 CC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_200000210301 [0,2,0,0,0,0|1,0,1]=4 2686 B14R2.601 CC(=O)c1ccc2oc(nc2c1)C 1458a_100000709727_200000210301 [0,2,0,0,0,0|1,0,1]=4 2687 B14R2.601 CC1Cc2cc(ccc2O1)C(=O)[13CH3] 1458a_100000189409_200025704644 [0,2,0,0,0,0|1,0,0]=3 2688 B14R2.601 Cc1cc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000068196_200025704644 [0,2,0,0,0,0|1,0,1]=4 2689 B14R2.601 Cc1nc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000709727_200025704644 [0,2,0,0,0,0|1,0,1]=4 2690 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)[13CH3] 1458a_100000688415_200025704644 [0,2,0,0,0,0|1,0,1]=4 2691 B14R2.601 [13CH3]C(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200025704644 [0,2,0,0,0,0|1,0,1]=4 2692 B14R2.601 [13CH3]C(=O)c1ccc2oc(=O)[nH]c2c1 1458a_100000724434_200025704644 [0,2,0,0,0,0|1,0,1]=4 2693 B14R2.624 C=C(C)c1cc2c(cc1N)OCO2 271570a_100000694244_100012557033 [0,2,0,0,0,0|1,0,0]=3 2694 B14R2.624 C=C(C)c1cc2c(cc1O)OCO2 271570a_100000694244_100010290809 [0,2,0,0,0,0|1,0,0]=3 2695 B14R2.624 CC(=O)c1cc2c(cc1Br)OCO2 1458a_100012339479_200000210301 [0,2,0,0,0,0|0,0,0]=2 2696 B14R2.624 CC(=O)c1cc2occc2cc1F 1458a_100009927656_200000210301 [0,2,0,0,0,0|1,0,1]=4 2697 B14R2.624 [13CH3]C(=O)c1cc2c(cc1Br)OCO2 1458a_100012339479_200025704644 [0,2,0,0,0,0|0,0,0]=2 2698 B14R2.624 [13CH3]C(=O)c1cc2occc2cc1F 1458a_100009927656_200025704644 [0,2,0,0,0,0|1,0,1]=4 2699 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 34a_100000741967_200025704644 [0,2,0,0,0,0|0,0,2]=4 2700 B14R2.966 CC(O[13CH3])c1ccc2c(c1)OCO2 7a_100000741967_200025704644 [0,2,0,0,0,0|0,0,2]=4 2701 B14R2.966 CCC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_100000210202 [0,2,0,0,0,0|2,0,0]=4 2702 B14R2.966 CCC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_100000210202 [0,2,0,0,0,0|1,0,0]=3 2703 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_100000210202 [0,2,0,0,0,0|0,0,0]=2 2704 B14R2.966 CCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210202 [0,2,0,0,0,0|1,0,1]=4 2705 B14R2.966 CCC(=O)c1ccc2ncoc2c1 1458a_100000750374_100000210202 [0,2,0,0,0,0|1,0,1]=4 2706 B14R2.966 CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210202 [0,2,0,0,0,0|1,0,1]=4 2707 B14R2.966 CCC(=O)c1ccc2ocnc2c1 1458a_100000238527_100000210202 [0,2,0,0,0,0|1,0,1]=4 2708 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 2230a_200000219546_200000210301 [0,2,0,0,0,0|1,0,1]=4 2709 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 269982a_200000219546_200000210301 [0,2,0,0,0,0|1,0,1]=4 2710 B14R2.966 CCN(C)c1ccc2c(c1)OCO2 34a_200000219546_200000210301 [0,2,0,0,0,0|1,0,1]=4 2711 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 2230a_200000219546_200025704644 [0,2,0,0,0,0|1,0,1]=4 2712 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 269982a_200000219546_200025704644 [0,2,0,0,0,0|1,0,1]=4 2713 B14R2.966 CCN([13CH3])c1ccc2c(c1)OCO2 34a_200000219546_200025704644 [0,2,0,0,0,0|1,0,1]=4 2714 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 11a_106832991635_100000195560 [0,2,0,0,0,0|2,0,0]=4 2715 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 1626a_100102657272_100000195560 [0,2,0,0,0,0|2,0,0]=4 2716 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 240690a_100102657272_100000195560 [0,2,0,0,0,0|2,0,0]=4 2717 B14R2.966 CNC(=O)c1ccc2c(c1)CCC2 527a_100102657272_100000195560 [0,2,0,0,0,0|2,0,0]=4 2718 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 11a_106832991635_100011207309 [0,2,0,0,0,0|1,0,0]=3 2719 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 1626a_100102657272_100011207309 [0,2,0,0,0,0|1,0,0]=3 2720 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 240690a_100102657272_100011207309 [0,2,0,0,0,0|1,0,0]=3 2721 B14R2.966 CNC(=O)c1ccc2c(c1)CCO2 527a_100102657272_100011207309 [0,2,0,0,0,0|1,0,0]=3 2722 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 11a_106832991635_100000210863 [0,2,0,0,0,0|0,0,0]=2 2723 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 1626a_100102657272_100000210863 [0,2,0,0,0,0|0,0,0]=2 2724 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 240690a_100102657272_100000210863 [0,2,0,0,0,0|0,0,0]=2 2725 B14R2.966 CNC(=O)c1ccc2c(c1)OCO2 527a_100102657272_100000210863 [0,2,0,0,0,0|0,0,0]=2 2726 B14R2.966 CNC(=O)c1ccc2ccoc2c1 11a_106832991635_100000077109 [0,2,0,0,0,0|1,0,1]=4 2727 B14R2.966 CNC(=O)c1ccc2ccoc2c1 1626a_100102657272_100000077109 [0,2,0,0,0,0|1,0,1]=4 2728 B14R2.966 CNC(=O)c1ccc2ccoc2c1 240690a_100102657272_100000077109 [0,2,0,0,0,0|1,0,1]=4 2729 B14R2.966 CNC(=O)c1ccc2ccoc2c1 527a_100102657272_100000077109 [0,2,0,0,0,0|1,0,1]=4 2730 B14R2.966 CNC(=O)c1ccc2ncoc2c1 1626a_100102657272_100000750374 [0,2,0,0,0,0|1,0,1]=4 2731 B14R2.966 CNC(=O)c1ccc2occc2c1 11a_106832991635_100000039204 [0,2,0,0,0,0|1,0,1]=4 2732 B14R2.966 CNC(=O)c1ccc2occc2c1 1626a_100102657272_100000039204 [0,2,0,0,0,0|1,0,1]=4 2733 B14R2.966 CNC(=O)c1ccc2occc2c1 240690a_100102657272_100000039204 [0,2,0,0,0,0|1,0,1]=4 2734 B14R2.966 CNC(=O)c1ccc2occc2c1 527a_100102657272_100000039204 [0,2,0,0,0,0|1,0,1]=4 2735 B14R2.966 CNC(=O)c1ccc2ocnc2c1 11a_106832991635_100000238527 [0,2,0,0,0,0|1,0,1]=4 2736 B14R2.966 CNC(=O)c1ccc2ocnc2c1 1626a_100102657272_100000238527 [0,2,0,0,0,0|1,0,1]=4 2737 B14R2.966 CNC(C)c1ccc2c(c1)OCO2 269862a_106832991636_100000211065 [0,2,0,0,0,0|1,0,1]=4 2738 B14R2.966 CN[C@H](C)c1ccc2c(c1)OCO2 2230a_100000744171_200000210301 [0,2,0,0,0,0|1,0,1]=4 2739 B14R2.966 COC(C)c1ccc2c(c1)OCO2 34a_100000741967_200000210301 [0,2,0,0,0,0|0,0,2]=4 2740 B14R2.966 COC(C)c1ccc2c(c1)OCO2 7a_100000741967_200000210301 [0,2,0,0,0,0|0,0,2]=4 2741 B14R2.966 C[C@@H](N[13CH3])c1ccc2c(c1)OCO2 2230a_100000744171_200025704644 [0,2,0,0,0,0|1,0,1]=4 2742 B14R2.966 O=C(CF)c1ccc2c(c1)CCC2 1458a_100000195560_100015361967 [0,2,0,0,0,0|2,0,0]=4 2743 B14R2.966 O=C(CF)c1ccc2c(c1)CCO2 1458a_100011207309_100015361967 [0,2,0,0,0,0|1,0,0]=3 2744 B14R2.966 O=C(CF)c1ccc2c(c1)OCO2 1458a_100000210863_100015361967 [0,2,0,0,0,0|0,0,0]=2 2745 B14R2.966 O=C(CF)c1ccc2ccoc2c1 1458a_100000077109_100015361967 [0,2,0,0,0,0|1,0,1]=4 2746 B14R2.966 O=C(CF)c1ccc2ncoc2c1 1458a_100000750374_100015361967 [0,2,0,0,0,0|1,0,1]=4 2747 B14R2.966 O=C(CF)c1ccc2occc2c1 1458a_100000039204_100015361967 [0,2,0,0,0,0|1,0,1]=4 2748 B14R2.966 O=C(CF)c1ccc2ocnc2c1 1458a_100000238527_100015361967 [0,2,0,0,0,0|1,0,1]=4 2749 B14R2.5719 C=C(C)c1ccc2c(c1)OCC2=O 271570a_100000694244_100000686717 [0,2,0,0,0,0|2,0,0]=4 2750 B14R2.5719 C=C(C)c1ccc2c(c1)OCC2N 271570a_100000694244_100020628175 [0,2,0,0,0,0|2,0,0]=4 2751 B14R2.5719 CC(=O)c1ccc2c(c1)CCN2C 1458a_100000708782_200000210301 [0,2,0,0,0,0|2,0,0]=4 2752 B14R2.5719 CN1CCc2c1ccc(c2)C(=O)[13CH3] 1458a_100000708782_200025704644 [0,2,0,0,0,0|2,0,0]=4 2753 B14R2.8824 CC(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_200000210301 [0,2,0,0,0,0|0,0,0]=2 2754 B14R2.8824 [13CH3]C(=O)c1cc(c2c(c1)OCO2)Br 1458a_100000744664_200025704644 [0,2,0,0,0,0|0,0,0]=2 2755 B14R2.24358 C=C(C)c1ccc2c(c1)C(=O)CO2 271570a_100000694244_100000752586 [0,2,0,0,0,0|2,0,0]=4 2756 B14R2.24358 CC(=O)c1ccc2onc(c2c1)C 1458a_200010977551_200000210301 [0,2,0,0,0,0|2,0,0]=4 2757 B14R2.24358 Cc1noc2c1cc(cc2)C(=O)[13CH3] 1458a_200010977551_200025704644 [0,2,0,0,0,0|2,0,0]=4 2758 B14R2.475 C=C=Cc1ccc2c(c1)C(=O)CO2 271570a_100015277604_100000752586 [0,2,0,0,0,0|2,0,0]=4 2759 B14R2.475 CC=Cc1ccc2c(c1)C(=O)CO2 271570a_100016259895_100000752586 [0,2,0,0,0,0|2,0,0]=4 2760 B14R2.583 C=C=Cc1cc2c(cc1N)OCO2 271570a_100015277604_100012557033 [0,2,0,0,0,0|1,0,0]=3 2761 B14R2.583 C=C=Cc1cc2c(cc1O)OCO2 271570a_100015277604_100010290809 [0,2,0,0,0,0|1,0,0]=3 2762 B14R2.583 CC=Cc1cc2c(cc1N)OCO2 271570a_100016259895_100012557033 [0,2,0,0,0,0|1,0,0]=3 2763 B14R2.583 CC=Cc1cc2c(cc1O)OCO2 271570a_100016259895_100010290809 [0,2,0,0,0,0|1,0,0]=3 2764 B14R2.583 CCNc1cc2c(cc1C)OCO2 2230a_100000066439_100000210202 [0,2,0,0,0,0|1,0,1]=4 2765 B14R2.583 CCNc1cc2c(cc1C)OCO2 34a_100000066439_100000210202 [0,2,0,0,0,0|1,0,1]=4 2766 B14R2.583 CCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100000210202 [0,2,0,0,0,0|1,0,1]=4 2767 B14R2.583 CCOc1cc2c(cc1Br)OCO2 34a_100010290809_100000210202 [0,2,0,0,0,0|1,0,1]=4 2768 B14R2.583 CCOc1cc2c(cc1Br)OCO2 7a_100010290809_100000210202 [0,2,0,0,0,0|1,0,1]=4 2769 B14R2.583 CCOc1cc2c(cc1C)OCO2 34a_100000145572_100000210202 [0,2,0,0,0,0|1,0,1]=4 2770 B14R2.583 CCOc1cc2c(cc1C)OCO2 7a_100000145572_100000210202 [0,2,0,0,0,0|1,0,1]=4 2771 B14R2.583 CCSc1cc2c(cc1N)OCO2 62a_100012557033_100000210202 [0,2,0,0,0,0|1,0,1]=4 2772 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_106832991635_100009995336 [0,2,0,0,0,0|1,0,1]=4 2773 B14R2.583 CNCc1cc2c(cc1Br)OCO2 2230a_200011199097_200000210301 [0,2,0,0,0,0|1,0,1]=4 2774 B14R2.583 CNCc1cc2c(cc1Br)OCO2 26a_100102657272_100010290809 [0,2,0,0,0,0|1,0,1]=4 2775 B14R2.583 CNCc1cc2c(cc1Br)OCO2 270004a_106832991635_100000186749 [0,2,0,0,0,0|1,0,1]=4 2776 B14R2.583 CNCc1cc2c(cc1Br)OCO2 34a_100102657272_100009995336 [0,2,0,0,0,0|1,0,1]=4 2777 B14R2.583 CNCc1cc2c(cc1Br)OCO2 7a_106832991635_100009995336 [0,2,0,0,0,0|1,0,1]=4 2778 B14R2.583 CNCc1cc2c(cc1C)OCO2 7a_106832991635_200000112958 [0,2,0,0,0,0|1,0,1]=4 2779 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 207a_100102657272_100000015535 [0,2,0,0,0,0|1,0,1]=4 2780 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 270004a_106832991635_100000015535 [0,2,0,0,0,0|1,0,1]=4 2781 B14R2.583 CNCc1cc2c(cc1Cl)OCO2 7a_106832991635_100000043460 [0,2,0,0,0,0|1,0,1]=4 2782 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100000187691_200000210301 [0,2,0,0,0,0|0,0,2]=4 2783 B14R2.583 COCc1cc2c(cc1Br)OCO2 34a_100138415774_100009995336 [0,2,0,0,0,0|0,0,2]=4 2784 B14R2.583 COCc1cc2c(cc1Br)OCO2 7a_100000187691_200000210301 [0,2,0,0,0,0|0,0,2]=4 2785 B14R2.583 COCc1cc2c(cc1Cl)OCO2 34a_200000238738_200000210301 [0,2,0,0,0,0|0,0,2]=4 2786 B14R2.583 COCc1cc2c(cc1Cl)OCO2 7a_200000238738_200000210301 [0,2,0,0,0,0|0,0,2]=4 2787 B14R2.583 CSCc1cc2c(cc1Br)OCO2 62a_100009995336_200000210301 [0,2,0,0,0,0|0,1,1]=4 2788 B14R2.583 CSCc1cc2c(cc1Cl)OCO2 62a_100000043460_200000210301 [0,2,0,0,0,0|0,1,1]=4 2789 B14R2.583 Cc1cc2c(cc1NCF)OCO2 34a_100000066439_100015361967 [0,2,0,0,0,0|1,0,1]=4 2790 B14R2.583 Cc1cc2c(cc1OCF)OCO2 34a_100000145572_100015361967 [0,2,0,0,0,0|1,0,1]=4 2791 B14R2.583 Cc1cc2c(cc1OCF)OCO2 7a_100000145572_100015361967 [0,2,0,0,0,0|1,0,1]=4 2792 B14R2.583 FCNc1cc2c(cc1Cl)OCO2 34a_100000234339_100015361967 [0,2,0,0,0,0|1,0,1]=4 2793 B14R2.583 FCOc1cc2c(cc1Br)OCO2 34a_100010290809_100015361967 [0,2,0,0,0,0|1,0,1]=4 2794 B14R2.583 FCOc1cc2c(cc1Br)OCO2 7a_100010290809_100015361967 [0,2,0,0,0,0|1,0,1]=4 2795 B14R2.583 Nc1cc2c(cc1SCF)OCO2 62a_100012557033_100015361967 [0,2,0,0,0,0|1,0,1]=4 2796 B14R2.583 [13CH3]NCc1cc2c(cc1Br)OCO2 2230a_200011199097_200025704644 [0,2,0,0,0,0|1,0,1]=4 2797 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 34a_100000187691_200025704644 [0,2,0,0,0,0|0,0,2]=4 2798 B14R2.583 [13CH3]OCc1cc2c(cc1Br)OCO2 7a_100000187691_200025704644 [0,2,0,0,0,0|0,0,2]=4 2799 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 34a_200000238738_200025704644 [0,2,0,0,0,0|0,0,2]=4 2800 B14R2.583 [13CH3]OCc1cc2c(cc1Cl)OCO2 7a_200000238738_200025704644 [0,2,0,0,0,0|0,0,2]=4 2801 B14R2.583 [13CH3]SCc1cc2c(cc1Br)OCO2 62a_100009995336_200025704644 [0,2,0,0,0,0|0,1,1]=4 2802 B14R2.583 [13CH3]SCc1cc2c(cc1Cl)OCO2 62a_100000043460_200025704644 [0,2,0,0,0,0|0,1,1]=4 2803 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 207a_100102657272_100000682445 [0,2,0,0,0,0|1,0,1]=4 2804 B14R2.587 CNCc1cc(c2c(c1)OCO2)Br 270004a_106832991635_100000682445 [0,2,0,0,0,0|1,0,1]=4 2805 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 207a_100102657272_100000016197 [0,2,0,0,0,0|1,0,1]=4 2806 B14R2.587 CNCc1cc(c2c(c1)OCO2)Cl 270004a_106832991635_100000016197 [0,2,0,0,0,0|1,0,1]=4 2807 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200000210301 [0,2,0,0,0,0|0,0,2]=4 2808 B14R2.587 COCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200000210301 [0,2,0,0,0,0|0,0,2]=4 2809 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 34a_100000198975_200025704644 [0,2,0,0,0,0|0,0,2]=4 2810 B14R2.587 [13CH3]OCc1cc(c2c(c1)OCO2)Cl 7a_100000198975_200025704644 [0,2,0,0,0,0|0,0,2]=4 2811 B14R2.991 C#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000038162 [0,2,0,0,0,0|1,0,1]=4 2812 B14R2.991 C#CCNc1ccc2c(c1)OCO2 34a_100000209953_100000184674 [0,2,0,0,0,0|1,0,1]=4 2813 B14R2.991 C#CCOc1ccc2c(c1)OCO2 34a_100000210298_100000184674 [0,2,0,0,0,0|1,0,1]=4 2814 B14R2.991 C=CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210623 [0,2,0,0,0,0|2,0,0]=4 2815 B14R2.991 C=CCNc1ccc2c(c1)CCO2 34a_100000736984_100015514636 [0,2,0,0,0,0|2,0,0]=4 2816 B14R2.991 C=CCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210623 [0,2,0,0,0,0|1,0,0]=3 2817 B14R2.991 C=CCNc1ccc2c(c1)OCO2 34a_100000209953_100015514636 [0,2,0,0,0,0|1,0,0]=3 2818 B14R2.991 C=CCOc1ccc2c(c1)OCO2 34a_100000210298_100015514636 [0,2,0,0,0,0|1,0,0]=3 2819 B14R2.991 C=CCSc1ccc2c(c1)CCO2 62a_100000210623_100000729065 [0,2,0,0,0,0|2,0,0]=4 2820 B14R2.991 C=CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210623 [0,2,0,0,0,0|2,0,0]=4 2821 B14R2.991 C=CCSc1ccc2c(c1)OCC2 62a_100000210623_100009818566 [0,2,0,0,0,0|2,0,0]=4 2822 B14R2.991 C=CCSc1ccc2c(c1)OCC2 62a_100009818566_100000210623 [0,2,0,0,0,0|2,0,0]=4 2823 B14R2.991 CCCCc1ccc2c(c1)OCO2 271570a_100020621405_100000688060 [0,2,0,0,0,0|1,0,1]=4 2824 B14R2.991 CCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000210303 [0,2,0,0,0,0|1,0,1]=4 2825 B14R2.991 CCCNc1ccc2c(c1)OCO2 34a_100000209953_100000210303 [0,2,0,0,0,0|1,0,1]=4 2826 B14R2.991 CCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210303 [0,2,0,0,0,0|1,0,1]=4 2827 B14R2.991 CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100000210202 [0,2,0,0,0,0|1,0,1]=4 2828 B14R2.991 CCNCc1ccc2c(c1)OCO2 34a_100000210006_100000210202 [0,2,0,0,0,0|1,0,1]=4 2829 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100000210967_100000210202 [0,2,0,0,0,0|0,0,2]=4 2830 B14R2.991 CCOCc1ccc2c(c1)OCO2 34a_100121572206_100000189651 [0,2,0,0,0,0|0,0,2]=4 2831 B14R2.991 CNCCc1ccc2c(c1)OCO2 2230a_100000204656_200000210301 [0,2,0,0,0,0|1,0,1]=4 2832 B14R2.991 CNCCc1ccc2c(c1)OCO2 34a_100000204656_200000210301 [0,2,0,0,0,0|1,0,1]=4 2833 B14R2.991 COCCc1ccc2c(c1)OCO2 34a_100011934097_200000210301 [0,2,0,0,0,0|0,0,2]=4 2834 B14R2.991 COCNc1ccc2c(c1)OCO2 2230a_100000209953_100000766300 [0,2,0,0,0,0|0,0,2]=4 2835 B14R2.991 CSCNc1ccc2c(c1)OCO2 2230a_100000209953_100011218213 [0,2,0,0,0,0|0,1,1]=4 2836 B14R2.991 CSCNc1ccc2c(c1)OCO2 34a_100000209953_100011218213 [0,2,0,0,0,0|0,1,1]=4 2837 B14R2.991 CSCOc1ccc2c(c1)OCO2 34a_100000210298_100011218213 [0,2,0,0,0,0|0,1,1]=4 2838 B14R2.991 FCCNc1ccc2c(c1)OCO2 2230a_100000209953_100011217306 [0,2,0,0,0,0|1,0,1]=4 2839 B14R2.991 FCCNc1ccc2c(c1)OCO2 34a_100000209953_100011217306 [0,2,0,0,0,0|1,0,1]=4 2840 B14R2.991 FCCOc1ccc2c(c1)OCO2 34a_100000210298_100011217306 [0,2,0,0,0,0|1,0,1]=4 2841 B14R2.991 FCNCc1ccc2c(c1)OCO2 34a_100000210006_100015361967 [0,2,0,0,0,0|1,0,1]=4 2842 B14R2.991 FCOCc1ccc2c(c1)OCO2 34a_100000210967_100015361967 [0,2,0,0,0,0|0,0,2]=4 2843 B14R2.991 N#CCNc1ccc2c(c1)OCO2 2230a_100000209953_100011215382 [0,2,0,0,0,0|1,0,1]=4 2844 B14R2.991 O=CCNc1ccc2c(c1)CCC2 2230a_100000211504_200015260668 [0,2,0,0,0,0|2,0,0]=4 2845 B14R2.991 O=CCNc1ccc2c(c1)CCC2 34a_100000211504_200009817547 [0,2,0,0,0,0|2,0,0]=4 2846 B14R2.991 O=CCNc1ccc2c(c1)CCO2 2230a_100000736984_200015260668 [0,2,0,0,0,0|1,0,0]=3 2847 B14R2.991 O=CCNc1ccc2c(c1)CCO2 34a_100000736984_200009817547 [0,2,0,0,0,0|1,0,0]=3 2848 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [0,2,0,0,0,0|0,0,0]=2 2849 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [0,2,0,0,0,0|0,0,0]=2 2850 B14R2.991 O=CCNc1ccc2ccoc2c1 34a_100000102395_200009817547 [0,2,0,0,0,0|1,0,1]=4 2851 B14R2.991 O=CCNc1ccc2cnoc2c1 34a_100000084182_200009817547 [0,2,0,0,0,0|2,0,0]=4 2852 B14R2.991 O=CCNc1ccc2ncoc2c1 34a_100011248239_200009817547 [0,2,0,0,0,0|1,0,1]=4 2853 B14R2.991 O=CCNc1ccc2occc2c1 34a_106430523501_200009817547 [0,2,0,0,0,0|1,0,1]=4 2854 B14R2.991 O=CCNc1ccc2ocnc2c1 34a_100011219863_200009817547 [0,2,0,0,0,0|1,0,1]=4 2855 B14R2.991 O=CCNc1ccc2oncc2c1 34a_100000037595_200009817547 [0,2,0,0,0,0|2,0,0]=4 2856 B14R2.991 O=CCOc1ccc2c(c1)CCC2 34a_100000209987_200009817547 [0,2,0,0,0,0|2,0,0]=4 2857 B14R2.991 O=CCOc1ccc2c(c1)CCC2 7a_100000209987_200015260668 [0,2,0,0,0,0|2,0,0]=4 2858 B14R2.991 O=CCOc1ccc2c(c1)CCN2 34a_100020636429_200009817547 [0,2,0,0,0,0|2,0,0]=4 2859 B14R2.991 O=CCOc1ccc2c(c1)NCC2 34a_100020636427_200009817547 [0,2,0,0,0,0|2,0,0]=4 2860 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [0,2,0,0,0,0|0,0,0]=2 2861 B14R2.991 O=CCOc1ccc2ccoc2c1 34a_100000089557_200009817547 [0,2,0,0,0,0|1,0,1]=4 2862 B14R2.991 O=CCOc1ccc2ccoc2c1 7a_100000089557_200015260668 [0,2,0,0,0,0|1,0,1]=4 2863 B14R2.991 O=CCOc1ccc2cnoc2c1 34a_100000098417_200009817547 [0,2,0,0,0,0|2,0,0]=4 2864 B14R2.991 O=CCOc1ccc2cnoc2c1 7a_100000098417_200015260668 [0,2,0,0,0,0|2,0,0]=4 2865 B14R2.991 O=CCOc1ccc2occc2c1 34a_100000070125_200009817547 [0,2,0,0,0,0|1,0,1]=4 2866 B14R2.991 O=CCOc1ccc2occc2c1 7a_100000070125_200015260668 [0,2,0,0,0,0|1,0,1]=4 2867 B14R2.991 O=CCSc1cc2c(cn1)OCC2 62a_102495363667_200015260668 [0,2,0,0,0,0|2,0,0]=4 2868 B14R2.991 O=CCSc1cc2c(cn1)OCC2 62a_200015260668_102495363667 [0,2,0,0,0,0|2,0,0]=4 2869 B14R2.991 O=CCSc1ccc2c(c1)CCC2 62a_100000745594_200015260668 [0,2,0,0,0,0|2,0,0]=4 2870 B14R2.991 O=CCSc1ccc2c(c1)CCC2 62a_200015260668_100000745594 [0,2,0,0,0,0|2,0,0]=4 2871 B14R2.991 O=CCSc1ccc2c(c1)CCN2 62a_100000691068_200015260668 [0,2,0,0,0,0|2,0,0]=4 2872 B14R2.991 O=CCSc1ccc2c(c1)CCN2 62a_200015260668_100000691068 [0,2,0,0,0,0|2,0,0]=4 2873 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_100000729065_200015260668 [0,2,0,0,0,0|1,0,0]=3 2874 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_200015260668_100000729065 [0,2,0,0,0,0|1,0,0]=3 2875 B14R2.991 O=CCSc1ccc2c(c1)NCC2 62a_100000754641_200015260668 [0,2,0,0,0,0|2,0,0]=4 2876 B14R2.991 O=CCSc1ccc2c(c1)NCC2 62a_200015260668_100000754641 [0,2,0,0,0,0|2,0,0]=4 2877 B14R2.991 O=CCSc1ccc2c(c1)OCC2 62a_100009818566_200015260668 [0,2,0,0,0,0|1,0,0]=3 2878 B14R2.991 O=CCSc1ccc2c(c1)OCC2 62a_200015260668_100009818566 [0,2,0,0,0,0|1,0,0]=3 2879 B14R2.991 O=CCSc1ccc2ccoc2c1 62a_200015260668_100000759542 [0,2,0,0,0,0|1,0,1]=4 2880 B14R2.991 O=CCSc1ccc2cnoc2c1 62a_200015260668_100009817722 [0,2,0,0,0,0|2,0,0]=4 2881 B14R2.991 O=CCSc1ccc2ncoc2c1 62a_200015260668_100009817590 [0,2,0,0,0,0|1,0,1]=4 2882 B14R2.991 O=CCSc1ccc2occc2c1 62a_200015260668_100000691453 [0,2,0,0,0,0|1,0,1]=4 2883 B14R2.991 O=CCSc1ccc2ocnc2c1 62a_200015260668_100009816175 [0,2,0,0,0,0|1,0,1]=4 2884 B14R2.991 O=CCSc1ccc2oncc2c1 62a_200015260668_100009817723 [0,2,0,0,0,0|2,0,0]=4 2885 B14R2.991 OCCNc1ccc2c(c1)OCO2 2230a_100000209953_100000211926 [0,2,0,0,0,0|0,0,2]=4 2886 B14R2.991 OCCNc1ccc2c(c1)OCO2 34a_100000209953_100000211926 [0,2,0,0,0,0|0,0,2]=4 2887 B14R2.991 OCCOc1ccc2c(c1)OCO2 34a_100000210298_100000211926 [0,2,0,0,0,0|0,0,2]=4 2888 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 2230a_100000204656_200025704644 [0,2,0,0,0,0|1,0,1]=4 2889 B14R2.991 [13CH3]NCCc1ccc2c(c1)OCO2 34a_100000204656_200025704644 [0,2,0,0,0,0|1,0,1]=4 2890 B14R2.991 [13CH3]OCCc1ccc2c(c1)OCO2 34a_100011934097_200025704644 [0,2,0,0,0,0|0,0,2]=4 2891 B14R2.1008 CC(=Cc1ccc2c(c1)CCO2)C 271570a_100102525489_100000729065 [0,2,0,0,0,0|2,0,0]=4 2892 B14R2.1008 CC(=Cc1ccc2c(c1)OCC2)C 271570a_100102525489_100009818566 [0,2,0,0,0,0|2,0,0]=4 2893 B14R2.1008 CC(=Cc1ccc2c(c1)OCO2)C 271570a_100102525489_100000688060 [0,2,0,0,0,0|1,0,0]=3 2894 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,2,0,0,0,0|1,0,0]=3 2895 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,2,0,0,0,0|0,0,0]=2 2896 B14R2.1008 CC(=O)Cc1ccc2ncoc2c1 1458a_100000070787_106359897996 [0,2,0,0,0,0|1,0,1]=4 2897 B14R2.1008 CC(=O)Cc1ccc2occc2c1 1458a_100000096804_200000210301 [0,2,0,0,0,0|1,0,1]=4 2898 B14R2.1008 CC(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200000210301 [0,2,0,0,0,0|1,0,1]=4 2899 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 11a_100000211504_100015343762 [0,2,0,0,0,0|2,0,0]=4 2900 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 1626a_100000211504_100015343762 [0,2,0,0,0,0|2,0,0]=4 2901 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 22a_100000211504_100000070787 [0,2,0,0,0,0|2,0,0]=4 2902 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCC2 527a_100000211504_100103153847 [0,2,0,0,0,0|2,0,0]=4 2903 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 11a_100000736984_100015343762 [0,2,0,0,0,0|1,0,0]=3 2904 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 1626a_100000736984_100015343762 [0,2,0,0,0,0|1,0,0]=3 2905 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 22a_100000736984_100000070787 [0,2,0,0,0,0|1,0,0]=3 2906 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 527a_100000736984_100103153847 [0,2,0,0,0,0|1,0,0]=3 2907 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,2,0,0,0,0|0,0,0]=2 2908 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,2,0,0,0,0|0,0,0]=2 2909 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,2,0,0,0,0|0,0,0]=2 2910 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,2,0,0,0,0|0,0,0]=2 2911 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 11a_100000102395_100015343762 [0,2,0,0,0,0|1,0,1]=4 2912 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 1626a_100000102395_100015343762 [0,2,0,0,0,0|1,0,1]=4 2913 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 22a_100000102395_100000070787 [0,2,0,0,0,0|1,0,1]=4 2914 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 527a_100000102395_100103153847 [0,2,0,0,0,0|1,0,1]=4 2915 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 11a_100000084182_100015343762 [0,2,0,0,0,0|2,0,0]=4 2916 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 1626a_100000084182_100015343762 [0,2,0,0,0,0|2,0,0]=4 2917 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 11a_100011248239_100015343762 [0,2,0,0,0,0|1,0,1]=4 2918 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 1626a_100011248239_100015343762 [0,2,0,0,0,0|1,0,1]=4 2919 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 527a_100011248239_100103153847 [0,2,0,0,0,0|1,0,1]=4 2920 B14R2.1008 CC(=O)Nc1ccc2occc2c1 11a_106430523501_100015343762 [0,2,0,0,0,0|1,0,1]=4 2921 B14R2.1008 CC(=O)Nc1ccc2occc2c1 1626a_106430523501_100015343762 [0,2,0,0,0,0|1,0,1]=4 2922 B14R2.1008 CC(=O)Nc1ccc2occc2c1 22a_106430523501_100000070787 [0,2,0,0,0,0|1,0,1]=4 2923 B14R2.1008 CC(=O)Nc1ccc2occc2c1 527a_106430523501_100103153847 [0,2,0,0,0,0|1,0,1]=4 2924 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 11a_100011219863_100015343762 [0,2,0,0,0,0|1,0,1]=4 2925 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 1626a_100011219863_100015343762 [0,2,0,0,0,0|1,0,1]=4 2926 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 527a_100011219863_100103153847 [0,2,0,0,0,0|1,0,1]=4 2927 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 11a_100000037595_100015343762 [0,2,0,0,0,0|2,0,0]=4 2928 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 1626a_100000037595_100015343762 [0,2,0,0,0,0|2,0,0]=4 2929 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 2230a_100000209953_100000210206 [0,2,0,0,0,0|1,0,1]=4 2930 B14R2.1008 CC(C)Nc1ccc2c(c1)OCO2 34a_100000209953_100000210206 [0,2,0,0,0,0|1,0,1]=4 2931 B14R2.1008 CC(C)Oc1ccc2c(c1)OCO2 34a_100000210298_100000210206 [0,2,0,0,0,0|1,0,1]=4 2932 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 2230a_100000186720_200000210301 [0,2,0,0,0,0|1,0,1]=4 2933 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100000186720_200000210301 [0,2,0,0,0,0|1,0,1]=4 2934 B14R2.1008 CN(C)Cc1ccc2c(c1)OCO2 269982a_100102631434_100000189651 [0,2,0,0,0,0|1,0,1]=4 2935 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 2230a_100000186720_200025704644 [0,2,0,0,0,0|1,0,1]=4 2936 B14R2.1008 CN([13CH3])Cc1ccc2c(c1)OCO2 269982a_100000186720_200025704644 [0,2,0,0,0,0|1,0,1]=4 2937 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,2,0,0,0,0|1,0,0]=3 2938 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,2,0,0,0,0|0,0,0]=2 2939 B14R2.1008 [13CH3]C(=O)Cc1ccc2occc2c1 1458a_100000096804_200025704644 [0,2,0,0,0,0|1,0,1]=4 2940 B14R2.1008 [13CH3]C(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200025704644 [0,2,0,0,0,0|1,0,1]=4 2941 B14R2.6412 C=C=Cc1ccc2c(c1)OCC2=O 271570a_100015277604_100000686717 [0,2,0,0,0,0|2,0,0]=4 2942 B14R2.6412 C=C=Cc1ccc2c(c1)OCC2N 271570a_100015277604_100020628175 [0,2,0,0,0,0|2,0,0]=4 2943 B14R2.6412 CC=Cc1ccc2c(c1)OCC2=O 271570a_100016259895_100000686717 [0,2,0,0,0,0|2,0,0]=4 2944 B14R2.6412 CC=Cc1ccc2c(c1)OCC2N 271570a_100016259895_100020628175 [0,2,0,0,0,0|2,0,0]=4 2945 B14R2.82 C=Cc1cc2c(cc1C=O)OCO2 271570a_100011290941_100000186749 [0,2,0,0,0,0|0,0,0]=2 2946 B14R2.82 C=Cc1cc2c(cc1CN)OCO2 271570a_100011290941_200011199097 [0,2,0,0,0,0|1,0,0]=3 2947 B14R2.82 C=Cc1cc2c(cc1CO)OCO2 271570a_100011290941_100000187691 [0,2,0,0,0,0|1,0,0]=3 2948 B14R2.82 CNc1cc2c(cc1OC)OCO2 2230a_200000088178_200000210301 [0,2,0,0,0,0|2,0,0]=4 2949 B14R2.82 CNc1cc2c(cc1OC)OCO2 34a_200000088178_200000210301 [0,2,0,0,0,0|2,0,0]=4 2950 B14R2.82 COc1cc2c(cc1N[13CH3])OCO2 2230a_200000088178_200025704644 [0,2,0,0,0,0|2,0,0]=4 2951 B14R2.82 COc1cc2c(cc1N[13CH3])OCO2 34a_200000088178_200025704644 [0,2,0,0,0,0|2,0,0]=4 2952 B14R2.82 CSc1cc2c(cc1C=O)OCO2 62a_100000186749_200000210301 [0,2,0,0,0,0|0,0,0]=2 2953 B14R2.82 CSc1cc2c(cc1CN)OCO2 62a_200011199097_200000210301 [0,2,0,0,0,0|1,0,1]=4 2954 B14R2.82 CSc1cc2c(cc1CO)OCO2 62a_100000187691_200000210301 [0,2,0,0,0,0|0,0,2]=4 2955 B14R2.82 [13CH3]Sc1cc2c(cc1C=O)OCO2 62a_100000186749_200025704644 [0,2,0,0,0,0|0,0,0]=2 2956 B14R2.82 [13CH3]Sc1cc2c(cc1CN)OCO2 62a_200011199097_200025704644 [0,2,0,0,0,0|1,0,1]=4 2957 B14R2.82 [13CH3]Sc1cc2c(cc1CO)OCO2 62a_100000187691_200025704644 [0,2,0,0,0,0|0,0,2]=4 2958 B14R2.1101 C=Cc1cc(c2c(c1)CCO2)C=O 271570a_100011290941_100000700315 [0,2,0,0,0,0|2,0,0]=4 2959 B14R2.1101 C=Cc1cc(cc2c1OCC2)C=O 271570a_100011290941_100009816904 [0,2,0,0,0,0|1,0,0]=3 2960 B14R2.1101 C=Cc1cc(cc2c1OCO2)C=O 271570a_100011290941_100000682445 [0,2,0,0,0,0|0,0,0]=2 2961 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_100009816904_200000210301 [0,2,0,0,0,0|1,0,0]=3 2962 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_200000210301_100009816904 [0,2,0,0,0,0|1,0,0]=3 2963 B14R2.1101 CSc1cc(cc2c1OCO2)C=O 62a_100000682445_200000210301 [0,2,0,0,0,0|0,0,0]=2 2964 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_100009816904_200025704644 [0,2,0,0,0,0|1,0,0]=3 2965 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_200025704644_100009816904 [0,2,0,0,0,0|1,0,0]=3 2966 B14R2.1101 [13CH3]Sc1cc(cc2c1OCO2)C=O 62a_100000682445_200025704644 [0,2,0,0,0,0|0,0,0]=2 2967 B14R2.3303 C=Cc1ccc2c(c1)OC(O2)(C)C 271570a_100011290941_100010187540 [0,2,0,0,0,0|1,0,0]=3 2968 B14R2.3303 C=Cc1ccc2c(c1)OC(O2)(F)F 271570a_100011290941_100009813929 [0,2,0,0,0,0|1,0,0]=3 2969 B14R2.3303 CC1(Oc2ccc(cc2O1)N[13CH3])C 2230a_100000217601_200025704644 [0,2,0,0,0,0|2,0,0]=4 2970 B14R2.3303 CC1(Oc2ccc(cc2O1)N[13CH3])C 34a_100000217601_200025704644 [0,2,0,0,0,0|2,0,0]=4 2971 B14R2.3303 CC1(Oc2ccc(cc2O1)N[13CH3])C 7a_100000217601_200025704644 [0,2,0,0,0,0|2,0,0]=4 2972 B14R2.3303 CC1(Oc2ccc(cc2O1)S[13CH3])C 62a_200025704644_100010187540 [0,2,0,0,0,0|2,0,0]=4 2973 B14R2.3303 CNc1ccc2c(c1)OC(O2)(C)C 2230a_100000217601_200000210301 [0,2,0,0,0,0|2,0,0]=4 2974 B14R2.3303 CNc1ccc2c(c1)OC(O2)(C)C 34a_100000217601_200000210301 [0,2,0,0,0,0|2,0,0]=4 2975 B14R2.3303 CNc1ccc2c(c1)OC(O2)(C)C 7a_100000217601_200000210301 [0,2,0,0,0,0|2,0,0]=4 2976 B14R2.3303 CNc1ccc2c(c1)OC(O2)(F)F 2230a_100000205996_200000210301 [0,2,0,0,0,0|2,0,0]=4 2977 B14R2.3303 CNc1ccc2c(c1)OC(O2)(F)F 34a_100000205996_200000210301 [0,2,0,0,0,0|2,0,0]=4 2978 B14R2.3303 CSc1ccc2c(c1)OC(O2)(C)C 62a_200000210301_100010187540 [0,2,0,0,0,0|2,0,0]=4 2979 B14R2.3303 CSc1ccc2c(c1)OC(O2)(F)F 62a_200000210301_100009813929 [0,2,0,0,0,0|2,0,0]=4 2980 B14R2.3303 [13CH3]Nc1ccc2c(c1)OC(O2)(F)F 2230a_100000205996_200025704644 [0,2,0,0,0,0|2,0,0]=4 2981 B14R2.3303 [13CH3]Nc1ccc2c(c1)OC(O2)(F)F 34a_100000205996_200025704644 [0,2,0,0,0,0|2,0,0]=4 2982 B14R2.3303 [13CH3]Sc1ccc2c(c1)OC(O2)(F)F 62a_200025704644_100009813929 [0,2,0,0,0,0|2,0,0]=4 2983 B12R2.9 O=Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186029 [0,0,1,1,0,0|2,0,0]=4 2984 B12R2.43 O=Cc1cccc(c1)C2CC2 271570a_100011220607_100000014684 [0,0,1,1,0,0|2,0,0]=4 2985 B12R2.315 C=Cc1cccc2c1CCO2 271570a_100011290941_100009819624 [0,0,1,1,0,0|2,0,0]=4 2986 B12R2.315 C=Cc1cccc2c1OCC2 271570a_100011290941_100009818991 [0,0,1,1,0,0|2,0,0]=4 2987 B12R2.315 C=Cc1cccc2c1OCO2 271570a_100011290941_100009814252 [0,0,1,1,0,0|1,0,0]=3 2988 B12R2.315 CNc1cccc2c1OCO2 2230a_100000699912_200000210301 [0,0,1,1,0,0|2,0,0]=4 2989 B12R2.315 CNc1cccc2c1OCO2 34a_100000699912_200000210301 [0,0,1,1,0,0|2,0,0]=4 2990 B12R2.315 COc1cccc2c1OCO2 34a_100000046630_200000210301 [0,0,1,1,0,0|2,0,0]=4 2991 B12R2.315 COc1cccc2c1OCO2 7a_100000046630_200000210301 [0,0,1,1,0,0|2,0,0]=4 2992 B12R2.315 [13CH3]Nc1cccc2c1OCO2 2230a_100000699912_200025704644 [0,0,1,1,0,0|2,0,0]=4 2993 B12R2.315 [13CH3]Nc1cccc2c1OCO2 34a_100000699912_200025704644 [0,0,1,1,0,0|2,0,0]=4 2994 B12R2.315 [13CH3]Oc1cccc2c1OCO2 34a_100000046630_200025704644 [0,0,1,1,0,0|2,0,0]=4 2995 B12R2.315 [13CH3]Oc1cccc2c1OCO2 7a_100000046630_200025704644 [0,0,1,1,0,0|2,0,0]=4 2996 B14R3.3015 c1cc2c(cc1C3CC3)OCO2 271570a_100011220607_100000688060 [0,1,0,1,0,0|1,0,1]=4 2997 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,0,1,0|1,0,1]=4 2998 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [1,0,0,0,0,1|1,0,1]=4 2999 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [1,0,0,0,0,1|1,0,1]=4 3000 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [1,0,0,0,0,1|1,0,1]=4 3001 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [1,0,0,0,0,1|1,0,1]=4 3002 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [1,0,0,0,0,1|1,0,1]=4 3003 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [1,0,0,0,0,1|0,0,1]=3 3004 B14R2.2400 C=Cc1ccc2c(c1)OCCCO2 271570a_100011290941_100000739260 [0,0,0,0,0,2|1,0,0]=3 3005 B14R2.2400 CNc1ccc2c(c1)OCCCO2 2230a_100000181267_200000210301 [0,0,0,0,0,2|2,0,0]=4 3006 B14R2.2400 CNc1ccc2c(c1)OCCCO2 34a_100000181267_200000210301 [0,0,0,0,0,2|2,0,0]=4 3007 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_100000739260_200000210301 [0,0,0,0,0,2|2,0,0]=4 3008 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_200000210301_100000739260 [0,0,0,0,0,2|2,0,0]=4 3009 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 2230a_100000181267_200025704644 [0,0,0,0,0,2|2,0,0]=4 3010 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 34a_100000181267_200025704644 [0,0,0,0,0,2|2,0,0]=4 3011 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_100000739260_200025704644 [0,0,0,0,0,2|2,0,0]=4 3012 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_200025704644_100000739260 [0,0,0,0,0,2|2,0,0]=4