0 B15R2.984 CC(=O)c1cc2ccccc2[nH]c1=O 1P00I9HH [0,0,0,0,0,0|2,0,0]=2 1 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1P00HZV2 [0,0,0,0,0,0|2,0,1]=3 2 B15R2.984 CC(=O)c1cc2ccccc2nc1C 1P00A27C [0,0,0,0,0,0|3,0,0]=3 3 B15R2.984 CC(=O)c1cc2ccccc2oc1=O 1P003NXV [0,0,0,0,0,0|1,0,0]=1 4 B15R2.984 CC(=O)c1cc2cccnc2cc1F 1P024HWS [0,0,0,0,0,0|4,0,0]=4 5 B15R2.984 CC(=O)c1cc2cnccc2[nH]c1=O 1P00DDMI [0,0,0,0,0,0|3,0,0]=3 6 B15R2.984 CC(=O)c1cc2cnccc2nc1C 1P00DACF [0,0,0,0,0,0|4,0,0]=4 7 B15R2.984 CC(=O)c1nc2ccccc2nc1C 1P00C2K2 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.984 CC(c1cc2ccccc2nc1Cl)O 1P02826E [0,0,0,0,0,0|3,0,1]=4 9 B15R2.984 ClC(=O)c1cc2ccccc2nc1Cl 1P009BTA [0,0,0,0,0,0|3,0,0]=3 10 B15R2.984 NC(=O)c1cc2ccccc2cc1N 1P00BI2A [0,0,0,0,0,0|3,0,0]=3 11 B15R2.984 NC(=O)c1cc2ccccc2nc1Cl 1P008QIC [0,0,0,0,0,0|3,0,0]=3 12 B15R2.984 NC(=O)c1cc2ccccc2nc1N 1P00I6EJ [0,0,0,0,0,0|3,0,0]=3 13 B15R2.984 NC(=S)c1cc2ccccc2nc1N 1P01IPS0 [0,0,0,0,0,0|3,1,0]=4 14 B15R2.984 NC(=S)c1cc2ccccc2oc1=O 1P005MMT [0,0,0,0,0,0|1,1,0]=2 15 B15R2.984 O=C1Nc2ccccc2CC1C(=O)[O-] 1P01FLE3 [0,0,0,0,0,0|1,0,3]=4 16 B15R2.984 O=C1Nc2ccccc2NC1C(=O)O 1P007QEH [0,0,0,0,0,0|2,0,1]=3 17 B15R2.984 O=C1Nc2ccccc2OC1C(=O)O 1P00BHVO [0,0,0,0,0,0|2,0,1]=3 18 B15R2.984 OB(c1cc2ccccc2cc1Br)O 1P01DVO9 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.984 OB(c1cc2ccccc2cc1Cl)O 1P01DZN5 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.984 OB(c1cc2ccccc2cc1O)O 1P008I5F [0,0,0,0,0,0|2,0,2]=4 21 B15R2.984 OB(c1cc2ccccc2nc1Br)O 1P003H9O [0,0,0,0,0,0|3,0,1]=4 22 B15R2.984 OB(c1cc2ccccc2nc1Cl)O 1P000YRZ [0,0,0,0,0,0|3,0,1]=4 23 B15R2.984 OB(c1cc2ccccc2nc1F)O 1P003C40 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.984 OB(c1cc2ccccc2nc1O)O 1P007EBH [0,0,0,0,0,0|2,0,2]=4 25 B15R2.984 OC(=O)C1=C(C)Oc2c(C1)cccc2 1P019SII [0,0,0,0,0,0|1,0,1]=2 26 B15R2.984 OC(=O)C1Cc2ccccc2OC1=O 1P028ZGA [0,0,0,0,0,0|0,0,2]=2 27 B15R2.984 OC(=O)C1Oc2ccccc2OC1C 1P008UQC [0,0,0,0,0,0|2,0,2]=4 28 B15R2.984 OC(=O)c1cc2ccccc2[nH]c1=O 1P002D4N [0,0,0,0,0,0|1,0,0]=1 29 B15R2.984 OC(=O)c1cc2ccccc2cc1Br 1P002JCE [0,0,0,0,0,0|2,0,0]=2 30 B15R2.984 OC(=O)c1cc2ccccc2cc1C 1P00CHRQ [0,0,0,0,0,0|2,0,0]=2 31 B15R2.984 OC(=O)c1cc2ccccc2cc1Cl 1P00AL03 [0,0,0,0,0,0|2,0,0]=2 32 B15R2.984 OC(=O)c1cc2ccccc2cc1F 1P01A3SI [0,0,0,0,0,0|2,0,0]=2 33 B15R2.984 OC(=O)c1cc2ccccc2cc1I 1P00EK2K [0,0,0,0,0,0|2,0,0]=2 34 B15R2.984 OC(=O)c1cc2ccccc2cc1N 1P0036B2 [0,0,0,0,0,0|2,0,0]=2 35 B15R2.984 OC(=O)c1cc2ccccc2cc1N 1P0283HR [0,0,0,0,0,0|2,0,0]=2 36 B15R2.984 OC(=O)c1cc2ccccc2cc1O 1P00346L [0,0,0,0,0,0|1,0,1]=2 37 B15R2.984 OC(=O)c1cc2ccccc2nc1C 1P0094WJ [0,0,0,0,0,0|2,0,0]=2 38 B15R2.984 OC(=O)c1cc2ccccc2nc1C 1P00EJBU [0,0,0,0,0,0|2,0,0]=2 39 B15R2.984 OC(=O)c1cc2ccccc2nc1Cl 1P0033QE [0,0,0,0,0,0|2,0,0]=2 40 B15R2.984 OC(=O)c1cc2ccccc2nc1N 1P00CBJ5 [0,0,0,0,0,0|2,0,0]=2 41 B15R2.984 OC(=O)c1cc2ccccc2oc1=O 1P003PJE [0,0,0,0,0,0|0,0,0]=0 42 B15R2.984 OC(=O)c1cc2cccnc2[nH]c1=O 1P00DF23 [0,0,0,0,0,0|2,0,0]=2 43 B15R2.984 OC(=O)c1cc2cccnc2cc1F 1P01BILF [0,0,0,0,0,0|3,0,0]=3 44 B15R2.984 OC(=O)c1cc2cccnc2nc1C 1P00BZ52 [0,0,0,0,0,0|3,0,0]=3 45 B15R2.984 OC(=O)c1cc2cccnc2nc1N 1P00DJS7 [0,0,0,0,0,0|3,0,0]=3 46 B15R2.984 OC(=O)c1cc2ccncc2cc1F 1P027NKZ [0,0,0,0,0,0|3,0,0]=3 47 B15R2.984 OC(=O)c1cc2cnccc2cc1F 1P028SAU [0,0,0,0,0,0|3,0,0]=3 48 B15R2.984 OC(=O)c1cc2cnccc2nc1C 1P00C7KR [0,0,0,0,0,0|3,0,0]=3 49 B15R2.984 OC(=O)c1cc2ncccc2cc1Cl 1P028N89 [0,0,0,0,0,0|3,0,0]=3 50 B15R2.984 OC(=O)c1cc2ncccc2nc1Cl 1P02234Q [0,0,0,0,0,0|3,0,0]=3 51 B15R2.984 OC(=O)c1cc2nccnc2cc1C 1P01DVE9 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.984 OC(=O)c1cc2nccnc2cc1F 1P01BH1A [0,0,0,0,0,0|4,0,0]=4 53 B15R2.984 OC(=O)c1nc2ccccc2[nH]c1=O 1P003KBD [0,0,0,0,0,0|2,0,0]=2 54 B15R2.984 OC(=O)c1nc2ccccc2cc1Br 1P01BC70 [0,0,0,0,0,0|3,0,0]=3 55 B15R2.984 OC(=O)c1nc2ccccc2cc1C 1P006I08 [0,0,0,0,0,0|3,0,0]=3 56 B15R2.984 OC(=O)c1nc2ccccc2cc1N 1P00H4OT [0,0,0,0,0,0|3,0,0]=3 57 B15R2.984 OC(=O)c1nc2ccccc2cc1O 1P007GAL [0,0,0,0,0,0|2,0,1]=3 58 B15R2.984 OC(=O)c1nc2ccccc2nc1C 1P003K8L [0,0,0,0,0,0|3,0,0]=3 59 B15R2.984 OC(=O)c1nc2ccccc2nc1Cl 1P0028RU [0,0,0,0,0,0|3,0,0]=3 60 B15R2.984 OC(=O)c1nc2ccccc2nc1N 1P00G8NS [0,0,0,0,0,0|3,0,0]=3 61 B15R2.984 OC(=O)c1nc2ncccc2cc1C 1P01B7TQ [0,0,0,0,0,0|4,0,0]=4 62 B15R2.984 [O-]C(=O)c1cc2ccccc2cc1O 1P001I5I [0,0,0,0,0,0|1,0,2]=3 63 B15R2.984 [O-]C(=O)c1nc2ccccc2nc1C 1P00IWPW [0,0,0,0,0,0|3,0,1]=4 64 B15R2.984 [O-][N+](=O)c1cc2ccccc2[nH]c1=O 1P007IRN [0,0,0,0,0,0|2,0,1]=3 65 B15R2.984 [O-][N+](=O)c1cc2ccccc2nc1Cl 1P005E34 [0,0,0,0,0,0|3,0,1]=4 66 B15R2.984 [O-][N+](=O)c1cc2ccccc2oc1=O 1P007L20 [0,0,0,0,0,0|1,0,1]=2 67 B14R2.781 CC(=C)c1ccc2c(c1)cccc2 1P003HXZ [1,0,0,0,0,0|3,0,0]=4 68 B14R2.781 CC(=O)C1=Cc2c(OC1)cccc2 1P006VNL [1,0,0,0,0,0|1,0,1]=3 69 B14R2.781 CC(=O)c1ccc2c(c1)cccc2 1P00IHWG [1,0,0,0,0,0|2,0,0]=3 70 B14R2.781 CC(=O)c1ccc2c(c1)cccn2 1P003NIL [1,0,0,0,0,0|3,0,0]=4 71 B14R2.781 CC(=O)c1ccc2c(c1)ccnc2 1P0096YW [1,0,0,0,0,0|3,0,0]=4 72 B14R2.781 CC(=O)c1ccc2c(c1)cncc2 1P00BJYC [1,0,0,0,0,0|3,0,0]=4 73 B14R2.781 CC(=O)c1ccc2c(c1)nccc2 1P009O93 [1,0,0,0,0,0|3,0,0]=4 74 B14R2.781 CC(=O)c1ccc2c(n1)cccc2 1P00048D [1,0,0,0,0,0|3,0,0]=4 75 B14R2.781 CC(=O)c1cnc2c(c1)cccc2 1P003JA7 [1,0,0,0,0,0|2,0,0]=3 76 B14R2.781 CC(=O)c1cnc2c(n1)cccc2 1P003GS8 [1,0,0,0,0,0|3,0,0]=4 77 B14R2.781 CC(=O)c1ncc2c(c1)cccc2 1P00GUB6 [1,0,0,0,0,0|3,0,0]=4 78 B14R2.781 CC(c1ccc2c(c1)cccc2)O 1P003DKE [1,0,0,0,0,0|2,0,1]=4 79 B14R2.781 CC(c1cnc2c(c1)cccc2)O 1P01A8G4 [1,0,0,0,0,0|2,0,1]=4 80 B14R2.781 C[C@@H](c1ccc2c(c1)cccc2)O 1P003CUQ [1,0,0,0,0,0|2,0,1]=4 81 B14R2.781 C[C@H](c1ccc2c(c1)cccc2)O 1P003CMG [1,0,0,0,0,0|2,0,1]=4 82 B14R2.781 ClC(=O)c1ccc2c(c1)cccc2 1P0037ZS [1,0,0,0,0,0|2,0,0]=3 83 B14R2.781 ClC(=O)c1ccc2c(c1)cccn2 1P001QCH [1,0,0,0,0,0|3,0,0]=4 84 B14R2.781 ClC(=O)c1ccc2c(n1)cccc2 1P00DG8D [1,0,0,0,0,0|3,0,0]=4 85 B14R2.781 FC(=O)c1ccc2c(c1)cccc2 1P00D3OB [1,0,0,0,0,0|2,0,0]=3 86 B14R2.781 NC(=N)c1ccc2c(c1)cccc2 1P00E9T1 [1,0,0,0,0,0|3,0,0]=4 87 B14R2.781 NC(=O)c1ccc2c(c1)cccc2 1P00BCQZ [1,0,0,0,0,0|2,0,0]=3 88 B14R2.781 NC(=O)c1ccc2c(c1)cccn2 1P00DLBJ [1,0,0,0,0,0|3,0,0]=4 89 B14R2.781 NC(=O)c1ccc2c(n1)cccc2 1P01GFMR [1,0,0,0,0,0|3,0,0]=4 90 B14R2.781 NC(=O)c1cnc2c(n1)cccc2 1P00DEO5 [1,0,0,0,0,0|3,0,0]=4 91 B14R2.781 NC(=O)c1ncc2c(c1)cccc2 1P00DHK1 [1,0,0,0,0,0|3,0,0]=4 92 B14R2.781 NC(=S)c1ccc2c(c1)cccc2 1P003T70 [1,0,0,0,0,0|2,1,0]=4 93 B14R2.781 NC(=S)c1cnc2c(c1)cccc2 1P01DYXO [1,0,0,0,0,0|2,1,0]=4 94 B14R2.781 OB(c1ccc2c(c1)cccc2)O 1P0033VB [1,0,0,0,0,0|2,0,1]=4 95 B14R2.781 OB(c1cnc2c(c1)cccc2)O 1P002FK1 [1,0,0,0,0,0|2,0,1]=4 96 B14R2.781 OB(c1cnc2c(c1)cccc2)O 1P004SQA [1,0,0,0,0,0|2,0,1]=4 97 B14R2.781 OC(=O)C1=COc2c(O1)cccc2 1P01BGY3 [1,0,0,0,0,0|1,0,0]=2 98 B14R2.781 OC(=O)C1=Cc2c(OC1)cccc2 1P00BE26 [1,0,0,0,0,0|0,0,1]=2 99 B14R2.781 OC(=O)C1COc2c(C1)cccc2 1P000HDE [1,0,0,0,0,0|0,0,3]=4 100 B14R2.781 OC(=O)C1COc2c(O1)cccc2 1P003E32 [1,0,0,0,0,0|1,0,2]=4 101 B14R2.781 OC(=O)[C@@H]1COc2c(C1)cccc2 1P00HJ9X [1,0,0,0,0,0|0,0,3]=4 102 B14R2.781 OC(=O)[C@@H]1COc2c(O1)cccc2 1P0063BV [1,0,0,0,0,0|1,0,2]=4 103 B14R2.781 OC(=O)[C@H]1COc2c(O1)cccc2 1P0032V1 [1,0,0,0,0,0|1,0,2]=4 104 B14R2.781 OC(=O)c1cc2nccnc2nc1 1P00GSXD [1,0,0,0,0,0|3,0,0]=4 105 B14R2.781 OC(=O)c1ccc2c(c1)C=CCC2 1P01B262 [1,0,0,0,0,0|1,0,2]=4 106 B14R2.781 OC(=O)c1ccc2c(c1)CCC=C2 1P01B23Q [1,0,0,0,0,0|1,0,2]=4 107 B14R2.781 OC(=O)c1ccc2c(c1)OC=CO2 1P01KL9Z [1,0,0,0,0,0|3,0,0]=4 108 B14R2.781 OC(=O)c1ccc2c(c1)cccc2 1P0033V9 [1,0,0,0,0,0|1,0,0]=2 109 B14R2.781 OC(=O)c1ccc2c(c1)cccn2 1P0034U9 [1,0,0,0,0,0|2,0,0]=3 110 B14R2.781 OC(=O)c1ccc2c(c1)cccn2 1P01AH5D [1,0,0,0,0,0|2,0,0]=3 111 B14R2.781 OC(=O)c1ccc2c(c1)ccnc2 1P0036IG [1,0,0,0,0,0|2,0,0]=3 112 B14R2.781 OC(=O)c1ccc2c(c1)ccnc2 1P028047 [1,0,0,0,0,0|2,0,0]=3 113 B14R2.781 OC(=O)c1ccc2c(c1)cncc2 1P0036PR [1,0,0,0,0,0|2,0,0]=3 114 B14R2.781 OC(=O)c1ccc2c(c1)cncn2 1P006MNP [1,0,0,0,0,0|3,0,0]=4 115 B14R2.781 OC(=O)c1ccc2c(c1)nccc2 1P0039G4 [1,0,0,0,0,0|2,0,0]=3 116 B14R2.781 OC(=O)c1ccc2c(c1)nccn2 1P003UKG [1,0,0,0,0,0|3,0,0]=4 117 B14R2.781 OC(=O)c1ccc2c(c1)ncnc2 1P000L47 [1,0,0,0,0,0|3,0,0]=4 118 B14R2.781 OC(=O)c1ccc2c(n1)cccn2 1P00395Y [1,0,0,0,0,0|3,0,0]=4 119 B14R2.781 OC(=O)c1ccc2c(n1)ccnc2 1P002BBO [1,0,0,0,0,0|3,0,0]=4 120 B14R2.781 OC(=O)c1ccc2c(n1)cncc2 1P00CN7A [1,0,0,0,0,0|3,0,0]=4 121 B14R2.781 OC(=O)c1ccc2c(n1)nccc2 1P00BFYN [1,0,0,0,0,0|3,0,0]=4 122 B14R2.781 OC(=O)c1cnc2c(c1)cccc2 1P0036BD [1,0,0,0,0,0|1,0,0]=2 123 B14R2.781 OC(=O)c1cnc2c(c1)cccn2 1P0095OW [1,0,0,0,0,0|2,0,0]=3 124 B14R2.781 OC(=O)c1cnc2c(c1)ccnc2 1P002QTI [1,0,0,0,0,0|2,0,0]=3 125 B14R2.781 OC(=O)c1cnc2c(c1)cncc2 1P000615 [1,0,0,0,0,0|2,0,0]=3 126 B14R2.781 OC(=O)c1cnc2c(c1)nccc2 1P003E7K [1,0,0,0,0,0|2,0,0]=3 127 B14R2.781 OC(=O)c1cnc2c(n1)cccc2 1P003IE1 [1,0,0,0,0,0|2,0,0]=3 128 B14R2.781 OC(=O)c1ncc2c(c1)cccc2 1P0029I5 [1,0,0,0,0,0|2,0,0]=3 129 B14R2.781 OC(=O)c1ncc2c(c1)cccc2 1P00FB9C [1,0,0,0,0,0|2,0,0]=3 130 B14R2.781 OC(=O)c1ncc2c(c1)cccn2 1P01KA6X [1,0,0,0,0,0|3,0,0]=4 131 B14R2.781 OC(=O)c1ncc2c(c1)ccnc2 1P002QTJ [1,0,0,0,0,0|3,0,0]=4 132 B14R2.781 OC(=O)c1ncc2c(n1)cccc2 1P00EKOU [1,0,0,0,0,0|3,0,0]=4 133 B14R2.781 OC(=O)c1nnc2c(c1)cccc2 1P00VUKP [1,0,0,0,0,0|2,0,0]=3 134 B14R2.781 OC(=O)c1nnc2c(n1)cccc2 1P00VVCS [1,0,0,0,0,0|3,0,0]=4 135 B14R2.781 [O-]C(=O)c1ccc2c(c1)cccc2 1P003I7W [1,0,0,0,0,0|1,0,1]=3 136 B14R2.781 [O-]C(=O)c1ccc2c(c1)cccc2 1P003TJP [1,0,0,0,0,0|1,0,1]=3 137 B14R2.781 [O-]C(=O)c1ccc2c(n1)cccc2 1P001YXR [1,0,0,0,0,0|2,0,1]=4 138 B14R2.781 [O-]C(=O)c1nnc2c(c1)cccc2 1P019NKK [1,0,0,0,0,0|2,0,1]=4 139 B14R2.781 [O-]S(=O)c1ccc2c(c1)cccc2 1P01C8MC [1,0,0,0,0,0|2,0,1]=4 140 B14R2.781 [O-][N+](=O)c1cnc2c(c1)cccc2 1P0021MJ [1,0,0,0,0,0|2,0,1]=4 141 B14R2.1128 COc1cc2ccccc2[nH]c1=O 1P01HLT9 [1,0,0,0,0,0|3,0,0]=4 142 B14R2.1128 ClCc1cc2ccccc2[nH]c1=O 1P01AHO9 [1,0,0,0,0,0|2,0,1]=4 143 B14R2.1128 N#Cc1cc2ccccc2[nH]c1=O 1P00I7RR [1,0,0,0,0,0|2,0,1]=4 144 B14R2.1128 N#Cc1cc2ccccc2oc1=O 1P003JSZ [1,0,0,0,0,0|1,0,1]=3 145 B14R2.1128 NCc1cc2ccccc2[nH]c1=O 1P00VSYA [1,0,0,0,0,0|2,0,1]=4 146 B14R2.1128 NCc1cc2ccccc2oc1=O 1P01EIOO [1,0,0,0,0,0|1,0,1]=3 147 B14R2.1128 O=CC1=Cc2ccccc2OC1C 1P00F1N8 [1,0,0,0,0,0|1,0,1]=3 148 B14R2.1128 O=Cc1cc2ccccc2[nH]c1=O 1P006D2C [1,0,0,0,0,0|1,0,0]=2 149 B14R2.1128 O=Cc1cc2ccccc2cc1F 1P00C4QP [1,0,0,0,0,0|2,0,0]=3 150 B14R2.1128 O=Cc1cc2ccccc2cc1O 1P003K01 [1,0,0,0,0,0|1,0,1]=3 151 B14R2.1128 O=Cc1cc2ccccc2nc1C 1P028WIG [1,0,0,0,0,0|2,0,0]=3 152 B14R2.1128 O=Cc1cc2ccccc2nc1Cl 1P003HK8 [1,0,0,0,0,0|2,0,0]=3 153 B14R2.1128 O=Cc1nc2ccccc2cc1C 1P00CB6T [1,0,0,0,0,0|3,0,0]=4 154 B14R2.1128 O=Cc1nc2ccccc2cc1Cl 1P000DUN [1,0,0,0,0,0|3,0,0]=4 155 B14R2.1128 O=Cc1nc2ccccc2nc1Br 1P00IC6P [1,0,0,0,0,0|3,0,0]=4 156 B14R2.1128 O=Cc1nc2ccccc2nc1C 1P00C2M2 [1,0,0,0,0,0|3,0,0]=4 157 B14R2.1128 O=Cc1nc2ccccc2nc1Cl 1P00DJI3 [1,0,0,0,0,0|3,0,0]=4 158 B14R2.1128 OCc1cc2ccccc2[nH]c1=O 1P006JV2 [1,0,0,0,0,0|1,0,1]=3 159 B14R2.1128 OCc1cc2ccccc2nc1C 1P01EMZB [1,0,0,0,0,0|2,0,1]=4 160 B14R2.1128 OCc1cc2ccccc2nc1Cl 1P000PF4 [1,0,0,0,0,0|2,0,1]=4 161 B14R2.1128 ONc1nc2ccccc2[nH]c1=O 1P00263L [1,0,0,0,0,0|3,0,0]=4 162 B14R2.1128 O\N=c/1\[nH]c2ccccc2oc1=O 1P00IGL7 [1,0,0,0,0,0|2,0,0]=3 163 B14R2.1128 O\N=c/1\[nH]c2ccccc2sc1=O 1P00IGL8 [1,0,0,0,0,0|2,1,0]=4 164 B16R2.1612 CCC1=C(Cc2c(O1)cccc2)C(=O)O 1P019SL7 [0,1,0,0,0,0|1,0,1]=3 165 B16R2.1612 CCc1nc2ccccc2cc1C(=O)O 1P01DX99 [0,1,0,0,0,0|2,0,0]=3 166 B16R2.1612 CNc1cc2ccccc2cc1C(=O)O 1P028G6R [0,1,0,0,0,0|2,0,0]=3 167 B16R2.1612 COc1cc2ccccc2cc1C(=O)N 1P00HSID [0,1,0,0,0,0|2,0,1]=4 168 B16R2.1612 COc1cc2ccccc2cc1C(=O)O 1P003K3D [0,1,0,0,0,0|1,0,1]=3 169 B16R2.1612 COc1cc2ncccc2cc1C(=O)O 1P02493E [0,1,0,0,0,0|2,0,1]=4 170 B16R2.1612 COc1nc2ccccc2cc1C(=O)C 1P01FQ74 [0,1,0,0,0,0|2,0,1]=4 171 B16R2.1612 COc1nc2ccccc2cc1C(=O)O 1P005TVG [0,1,0,0,0,0|1,0,1]=3 172 B16R2.23361 O=C1Nc2ccccc2CC1(C)C(=O)O 1P01DVPV [0,1,0,0,0,0|1,0,2]=4 173 B16R2.23361 O=C1Nc2ccccc2OC1(C)C(=O)O 1P00ARBV [0,1,0,0,0,0|2,0,1]=4 174 B16R2.23372 CC(=O)c1c(=O)oc2c(c1O)cccc2 1P006UHW [0,1,0,0,0,0|1,0,0]=2 175 B16R2.23372 CC(=O)c1c(C)nc2c(c1N)cccc2 1P00FCJN [0,1,0,0,0,0|3,0,0]=4 176 B16R2.23372 OC(=O)c1c(=O)[nH]c2c(c1Cl)cccc2 1P005STR [0,1,0,0,0,0|1,0,0]=2 177 B16R2.23372 OC(=O)c1c(=O)nc2c(c1O)ccc[nH]2 1P01FQAF [0,1,0,0,0,0|2,0,0]=3 178 B16R2.23372 OC(=O)c1c(=O)oc2c(c1C)cccc2 1P008IQ5 [0,1,0,0,0,0|0,0,0]=1 179 B16R2.23372 OC(=O)c1c(Br)cc2c(c1F)cccc2 1P0293CR [0,1,0,0,0,0|2,0,0]=3 180 B16R2.23372 OC(=O)c1c(C)nc2c(c1C)cccc2 1P00865H [0,1,0,0,0,0|2,0,0]=3 181 B16R2.23372 OC(=O)c1c(Cl)nc2c(c1C)cccc2 1P019ZBS [0,1,0,0,0,0|2,0,0]=3 182 B16R2.23372 OC(=O)c1c(Cl)nc2c(c1Cl)cccc2 1P01A083 [0,1,0,0,0,0|2,0,0]=3 183 B16R2.23372 OC(=O)c1c(F)cc2c(c1F)cccn2 1P01KLN9 [0,1,0,0,0,0|3,0,0]=4 184 B16R2.23372 OC(=O)c1c(O)cc2c(c1O)cccc2 1P00CI87 [0,1,0,0,0,0|1,0,1]=3 185 B16R2.23372 OC(=O)c1c(O)nc2c(c1C)cccc2 1P00CKZL [0,1,0,0,0,0|1,0,1]=3 186 B16R2.23372 [O-][N+](=O)c1c(=O)oc2c(c1Cl)cccc2 1P003LLR [0,1,0,0,0,0|1,0,1]=3 187 B16R2.23372 [O-][N+](=O)c1c(=O)oc2c(c1N)cccc2 1P00C7DB [0,1,0,0,0,0|1,0,1]=3 188 B16R2.23372 [O-][N+](=O)c1c(=O)oc2c(c1O)cccc2 1P0028SY [0,1,0,0,0,0|1,0,1]=3 189 B16R2.23520 Brc1ccc2c(c1)nc(c(c2)C(=O)O)C 1P00EKR0 [0,1,0,0,0,0|2,0,0]=3 190 B16R2.23520 Brc1ccc2c(c1)nc(c(c2)C(=O)O)Cl 1P021UMP [0,1,0,0,0,0|2,0,0]=3 191 B16R2.23520 Brc1ccc2c(c1)oc(=O)c(c2)C(=O)O 1P01FNE3 [0,1,0,0,0,0|0,0,0]=1 192 B16R2.23520 Cc1ccc2c(c1)nc(c(c2)C(=O)O)C 1P00DAI9 [0,1,0,0,0,0|2,0,0]=3 193 B16R2.23520 Cc1ccc2c(c1)nc(c(c2)C(=O)O)O 1P01EWEP [0,1,0,0,0,0|1,0,1]=3 194 B16R2.23520 Cc1ncc2c(n1)[nH]c(=O)c(c2)C(=O)O 1P01BTW4 [0,1,0,0,0,0|3,0,0]=4 195 B16R2.23520 Clc1ccc2c(c1)nc(c(c2)C(=O)O)C 1P007UO9 [0,1,0,0,0,0|2,0,0]=3 196 B16R2.23520 Clc1ccc2c(c1)oc(=O)c(c2)C(=O)O 1P024HLI [0,1,0,0,0,0|0,0,0]=1 197 B16R2.23520 Fc1ccc2c(c1)nc(c(c2)C(=O)O)C 1P00H0TH [0,1,0,0,0,0|2,0,0]=3 198 B16R2.23520 Fc1ccc2c(c1)nc(c(c2)C(=O)O)Cl 1P00VSZA [0,1,0,0,0,0|2,0,0]=3 199 B16R2.23520 Fc1ccc2c(c1)oc(=O)c(c2)C(=O)O 1P00VVPZ [0,1,0,0,0,0|0,0,0]=1 200 B16R2.23520 Oc1ccc2c(c1)oc(=O)c(c2)C(=O)O 1P00IDD6 [0,1,0,0,0,0|0,0,0]=1 201 B16R2.23521 Brc1ccc2c(c1)cc(c(=O)o2)C(=O)C 1P007OX2 [0,1,0,0,0,0|1,0,0]=2 202 B16R2.23521 Brc1ccc2c(c1)cc(c(=O)o2)C(=O)O 1P003NLD [0,1,0,0,0,0|0,0,0]=1 203 B16R2.23521 Brc1ccc2c(c1)cc(c(c2)O)C(=O)O 1P003NUD [0,1,0,0,0,0|1,0,1]=3 204 B16R2.23521 Brc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P00IHN6 [0,1,0,0,0,0|2,0,0]=3 205 B16R2.23521 Brc1ccc2c(c1)nc(c(c2)O)C(=O)O 1P024H9B [0,1,0,0,0,0|2,0,1]=4 206 B16R2.23521 Cc1ccc2c(c1)cc(c(=O)o2)C(=O)O 1P0007W1 [0,1,0,0,0,0|0,0,0]=1 207 B16R2.23521 Cc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P00IB9A [0,1,0,0,0,0|2,0,0]=3 208 B16R2.23521 Cc1ccc2c(c1)cc(c(n2)Cl)C(=O)O 1P01E5DZ [0,1,0,0,0,0|2,0,0]=3 209 B16R2.23521 Clc1ccc2c(c1)cc(c(=O)[nH]2)C(=O)C 1P01KME8 [0,1,0,0,0,0|2,0,0]=3 210 B16R2.23521 Clc1ccc2c(c1)cc(c(=O)o2)C(=O)O 1P004FU8 [0,1,0,0,0,0|0,0,0]=1 211 B16R2.23521 Clc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P00H0TL [0,1,0,0,0,0|2,0,0]=3 212 B16R2.23521 Clc1ccc2c(c1)cc(c(n2)O)C(=O)O 1P004O0Q [0,1,0,0,0,0|1,0,1]=3 213 B16R2.23521 Fc1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O 1P01E8PY [0,1,0,0,0,0|1,0,0]=2 214 B16R2.23521 Fc1ccc2c(c1)cc(c(=O)o2)C(=O)O 1P019SHH [0,1,0,0,0,0|0,0,0]=1 215 B16R2.23521 Fc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P00DG2G [0,1,0,0,0,0|2,0,0]=3 216 B16R2.23521 Oc1ccc2c(c1)cc(c(c2)O)C(=O)O 1P003J7L [0,1,0,0,0,0|1,0,1]=3 217 B16R2.23521 Oc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P01BSPQ [0,1,0,0,0,0|2,0,0]=3 218 B16R2.33941 BrCC(=O)c1cc2ccccc2oc1=O 1P002YHG [0,1,0,0,0,0|1,0,0]=2 219 B16R2.33941 COC(=O)C1Cc2ccccc2NC1=O 1P00968E [0,1,0,0,0,0|1,0,2]=4 220 B16R2.33941 COC(=O)c1cc2ccccc2[nH]c1=O 1P008QIE [0,1,0,0,0,0|1,0,0]=2 221 B16R2.33941 COC(=O)c1cc2ccccc2cc1N 1P007106 [0,1,0,0,0,0|2,0,0]=3 222 B16R2.33941 COC(=O)c1cc2ccccc2cc1O 1P003S90 [0,1,0,0,0,0|1,0,1]=3 223 B16R2.33941 COC(=O)c1cc2ccccc2nc1Cl 1P001VO1 [0,1,0,0,0,0|2,0,0]=3 224 B16R2.33941 COC(=O)c1nc2ccccc2cc1N 1P01K1AI [0,1,0,0,0,0|3,0,0]=4 225 B16R2.33941 COC(=O)c1nc2ccccc2cc1O 1P024HE8 [0,1,0,0,0,0|2,0,1]=4 226 B16R2.33941 NNC(=O)c1cc2ccccc2cc1O 1P003K03 [0,1,0,0,0,0|2,0,1]=4 227 B16R2.33941 ONC(=O)c1cc2ccccc2cc1O 1P002M8E [0,1,0,0,0,0|1,0,1]=3 228 B16R2.83668 OC(=O)C1Cc2ccccc2N(C1=O)C 1P0287DA [0,1,0,0,0,0|1,0,2]=4 229 B16R2.83668 OC(=O)c1cc2ccccc2c(=O)n1C 1P003ZGU [0,1,0,0,0,0|3,0,0]=4 230 B16R2.83668 OC(=O)c1cc2ccccc2c(c1C)N 1P009T9L [0,1,0,0,0,0|2,0,0]=3 231 B16R2.83668 OC(=O)c1cc2ccccc2c(c1O)Br 1P003LEX [0,1,0,0,0,0|1,0,1]=3 232 B16R2.83668 OC(=O)c1cc2ccccc2n(c1=O)C 1P00FDN8 [0,1,0,0,0,0|1,0,0]=2 233 B16R2.83668 OC(=O)c1nc2ccccc2c(c1Br)Cl 1P0280GB [0,1,0,0,0,0|3,0,0]=4 234 B16R2.83668 OC(=O)c1nc2ccccc2n(c1=O)C 1P007TFI [0,1,0,0,0,0|2,0,0]=3 235 B16R2.126888 O=C1CCCc2c1cc(C(=O)O)c(=O)o2 1P028ORU [0,1,0,0,0,0|0,0,3]=4 236 B16R2.126888 OC(=O)c1cc2c(Cl)cccc2nc1C 1P01BSO8 [0,1,0,0,0,0|2,0,0]=3 237 B16R2.126889 OC(=O)c1cc2cccc(c2cc1O)O 1P003J3Z [0,1,0,0,0,0|1,0,1]=3 238 B16R2.126889 OC(=O)c1cc2cccc(c2nc1C)Cl 1P01BY1U [0,1,0,0,0,0|2,0,0]=3 239 B16R2.126889 OC(=O)c1cc2cccc(c2nc1C)F 1P01BAM0 [0,1,0,0,0,0|2,0,0]=3 240 B16R2.126889 OC(=O)c1cc2cccc(c2nc1Cl)C 1P01BA4R [0,1,0,0,0,0|2,0,0]=3 241 B16R2.126889 OC(=O)c1cc2cccc(c2nc1Cl)F 1P01ZZ6H [0,1,0,0,0,0|2,0,0]=3 242 B16R2.126889 OC(=O)c1cc2cccc(c2oc1=O)C 1P01GJKT [0,1,0,0,0,0|0,0,0]=1 243 B16R2.126889 OC(=O)c1cc2cccc(c2oc1=O)O 1P01HD08 [0,1,0,0,0,0|0,0,0]=1 244 B14R1.337 O=C(Nc1ccccc1F)CC(=O)O 1P016KT5 [0,0,1,0,0,0|2,0,1]=4 245 B14R1.337 O=C(Nc1ccccc1O)CC(=O)O 1P002LMP [0,0,1,0,0,0|2,0,1]=4 246 B14R1.425 CC(C(=O)O)C(=O)Nc1ccccc1 1P01XC6G [0,0,1,0,0,0|1,0,2]=4 247 B14R1.482 CCOc1ccccc1\C=C\C(=O)O 1P003HN0 [0,0,1,0,0,0|1,0,1]=3 248 B14R1.4513 CC(=O)C(=Cc1ccccc1)C(=O)C 1P003JFD [0,0,1,0,0,0|2,0,0]=3 249 B14R1.4513 OC(=O)C(C(=O)O)Cc1ccccc1 1P003H1V [0,0,1,0,0,0|0,0,2]=3 250 B16R3.17428 O=C1CCc2c1cc3ccccc3c2 1P007TNX [0,0,0,1,0,0|3,0,0]=4 251 B14R2.450 CC(=O)c1oc2c(c1C)cccc2 1P00BHRW [0,0,0,0,1,0|3,0,0]=4 252 B14R2.450 CC(=O)c1oc2c(c1N)cccc2 1P006ZYL [0,0,0,0,1,0|3,0,0]=4 253 B14R2.450 CC(=O)c1sc2c(c1C)cccc2 1P002GZG [0,0,0,0,1,0|3,0,0]=4 254 B14R2.450 ClC(=O)c1sc2c(c1Cl)cccc2 1P003JR2 [0,0,0,0,1,0|3,0,0]=4 255 B14R2.450 NC(=O)c1oc2c(c1N)cccc2 1P003JAD [0,0,0,0,1,0|3,0,0]=4 256 B14R2.450 NC(=O)c1sc2c(c1N)cccc2 1P0077ZZ [0,0,0,0,1,0|3,0,0]=4 257 B14R2.450 OC(=O)C1=C(C)c2c(C1)cccc2 1P003K86 [0,0,0,0,1,0|1,0,1]=3 258 B14R2.450 OC(=O)C1=Cc2c(C1O)cccc2 1P01BJO2 [0,0,0,0,1,0|0,0,2]=3 259 B14R2.450 OC(=O)c1[nH]c2c(c1Br)cccc2 1P002WS1 [0,0,0,0,1,0|2,0,0]=3 260 B14R2.450 OC(=O)c1[nH]c2c(c1Br)nccc2 1P020A9O [0,0,0,0,1,0|3,0,0]=4 261 B14R2.450 OC(=O)c1[nH]c2c(c1C)cccc2 1P0085EN [0,0,0,0,1,0|2,0,0]=3 262 B14R2.450 OC(=O)c1[nH]c2c(c1Cl)cccc2 1P002WS2 [0,0,0,0,1,0|2,0,0]=3 263 B14R2.450 OC(=O)c1[nH]c2c(c1I)cccc2 1P001XYO [0,0,0,0,1,0|2,0,0]=3 264 B14R2.450 OC(=O)c1cc2c(n1C)cccc2 1P001SVI [0,0,0,0,1,0|2,0,0]=3 265 B14R2.450 OC(=O)c1nc2c(n1C)cccc2 1P002AS3 [0,0,0,0,1,0|3,0,0]=4 266 B14R2.450 OC(=O)c1nc2n(c1Br)cccc2 1P007CD2 [0,0,0,0,1,0|3,0,0]=4 267 B14R2.450 OC(=O)c1nc2n(c1C)cccc2 1P000JK4 [0,0,0,0,1,0|3,0,0]=4 268 B14R2.450 OC(=O)c1nc2n(c1F)cccc2 1P009CGU [0,0,0,0,1,0|3,0,0]=4 269 B14R2.450 OC(=O)c1nn2c(c1Br)cccc2 1P004IBV [0,0,0,0,1,0|3,0,0]=4 270 B14R2.450 OC(=O)c1nn2c(c1C)cccc2 1P001C7R [0,0,0,0,1,0|3,0,0]=4 271 B14R2.450 OC(=O)c1oc2c(c1Br)cccc2 1P00I7ZV [0,0,0,0,1,0|2,0,0]=3 272 B14R2.450 OC(=O)c1oc2c(c1C)cccc2 1P002PH9 [0,0,0,0,1,0|2,0,0]=3 273 B14R2.450 OC(=O)c1oc2c(c1Cl)cccc2 1P00IE6R [0,0,0,0,1,0|2,0,0]=3 274 B14R2.450 OC(=O)c1sc2c(c1Br)cccc2 1P002Y1G [0,0,0,0,1,0|2,0,0]=3 275 B14R2.450 OC(=O)c1sc2c(c1Br)cccn2 1P00FHIM [0,0,0,0,1,0|3,0,0]=4 276 B14R2.450 OC(=O)c1sc2c(c1Br)nccc2 1P0097EB [0,0,0,0,1,0|3,0,0]=4 277 B14R2.450 OC(=O)c1sc2c(c1C)cccc2 1P003K7C [0,0,0,0,1,0|2,0,0]=3 278 B14R2.450 OC(=O)c1sc2c(c1Cl)cccc2 1P003JR4 [0,0,0,0,1,0|2,0,0]=3 279 B14R2.450 OC(=O)c1sc2c(c1Cl)cccn2 1P0036L8 [0,0,0,0,1,0|3,0,0]=4 280 B14R2.450 OC(=O)c1sc2c(c1Cl)nccc2 1P00A14U [0,0,0,0,1,0|3,0,0]=4 281 B14R2.450 OC(=O)c1sc2c(c1N)cccc2 1P00BZYP [0,0,0,0,1,0|2,0,0]=3 282 B14R2.450 OC(=O)c1sc2c(c1N)cccn2 1P00EEL2 [0,0,0,0,1,0|3,0,0]=4 283 B14R2.450 [O-]C(=O)c1oc2c(c1C)cccc2 1P01EY29 [0,0,0,0,1,0|2,0,1]=4 284 B14R2.624 OC(=O)c1cc2[nH]ccc2cc1C 1P000DJF [0,0,0,0,1,0|3,0,0]=4 285 B14R2.624 OC(=O)c1cc2[nH]ccc2cc1Cl 1P000RXW [0,0,0,0,1,0|3,0,0]=4 286 B14R2.624 OC(=O)c1cc2[nH]ccc2cc1F 1P00H0IT [0,0,0,0,1,0|3,0,0]=4 287 B14R2.624 OC(=O)c1cc2cc[nH]c2cc1Cl 1P00BEL8 [0,0,0,0,1,0|3,0,0]=4 288 B14R2.624 OC(=O)c1cc2cc[nH]c2cc1F 1P019F8A [0,0,0,0,1,0|3,0,0]=4 289 B14R2.624 OC(=O)c1cc2cc[nH]c2cc1O 1P000N15 [0,0,0,0,1,0|2,0,1]=4 290 B14R2.624 OC(=O)c1cc2cc[nH]c2nc1C 1P00IEWI [0,0,0,0,1,0|3,0,0]=4 291 B14R2.624 OC(=O)c1cc2ccoc2cc1F 1P01DZNX [0,0,0,0,1,0|3,0,0]=4 292 B14R2.624 OC(=O)c1cc2occc2cc1F 1P00HSV9 [0,0,0,0,1,0|3,0,0]=4 293 B14R2.624 OC(=O)c1cc2sccc2nc1Cl 1P0092A1 [0,0,0,0,1,0|3,0,0]=4 294 B14R2.642 CC(=O)c1c(C)[nH]c2c1cccc2 1P006Y0I [0,0,0,0,1,0|3,0,0]=4 295 B14R2.642 CC(=O)c1c(C)oc2c1cccc2 1P0077RB [0,0,0,0,1,0|2,0,0]=3 296 B14R2.642 CC(=O)c1c(C)sc2c1cccc2 1P001Y9S [0,0,0,0,1,0|2,1,0]=4 297 B14R2.642 NC(=O)c1c(C)[nH]c2c1cccc2 1P003I68 [0,0,0,0,1,0|3,0,0]=4 298 B14R2.642 O=C1Cc2c(N1C(=O)C)cccc2 1P00BEL9 [0,0,0,0,1,0|3,0,0]=4 299 B14R2.642 OB(c1c(C)oc2c1cccc2)O 1P027U47 [0,0,0,0,1,0|2,0,1]=4 300 B14R2.642 OC(=O)c1c(Br)sc2c1cccc2 1P028GZ6 [0,0,0,0,1,0|1,1,0]=3 301 B14R2.642 OC(=O)c1c(C)[nH]c2c1cccc2 1P00EBAG [0,0,0,0,1,0|2,0,0]=3 302 B14R2.642 OC(=O)c1c(C)[nH]c2c1cccn2 1P00II18 [0,0,0,0,1,0|3,0,0]=4 303 B14R2.642 OC(=O)c1c(C)[nH]c2c1ccnc2 1P006GO5 [0,0,0,0,1,0|3,0,0]=4 304 B14R2.642 OC(=O)c1c(C)nc2n1cccc2 1P00BCNM [0,0,0,0,1,0|3,0,0]=4 305 B14R2.642 OC(=O)c1c(C)nn2c1cccc2 1P0059KD [0,0,0,0,1,0|3,0,0]=4 306 B14R2.642 OC(=O)c1c(C)oc2c1cccc2 1P00CQ59 [0,0,0,0,1,0|1,0,0]=2 307 B14R2.642 OC(=O)c1c(C)sc2c1cccc2 1P00ANMF [0,0,0,0,1,0|1,1,0]=3 308 B14R2.642 OC(=O)c1c(Cl)[nH]c2c1cccc2 1P00D9CW [0,0,0,0,1,0|2,0,0]=3 309 B14R2.642 OC(=O)c1c(Cl)nc2n1cccc2 1P018G4V [0,0,0,0,1,0|3,0,0]=4 310 B14R2.642 OC(=O)c1c(Cl)oc2c1cccc2 1P01C6WZ [0,0,0,0,1,0|1,0,0]=2 311 B14R2.642 OC(=O)c1c(N)nn2c1cccc2 1P01DW1V [0,0,0,0,1,0|3,0,0]=4 312 B14R2.642 OC(=O)c1c(N)sc2c1cccc2 1P002GXC [0,0,0,0,1,0|1,1,0]=3 313 B14R2.642 OC(=O)c1c(N)sc2c1ccnc2 1P0288NY [0,0,0,0,1,0|2,1,0]=4 314 B14R2.642 OC(=O)c1n(C)nc2c1cccc2 1P00C8QO [0,0,0,0,1,0|3,0,0]=4 315 B14R2.642 [O-]S(=O)c1c(C)oc2c1cccc2 1P027UPX [0,0,0,0,1,0|2,0,1]=4 316 B16R2.3989 CC(=O)Nc1cc2ccccc2oc1=O 1P003J9D [0,0,0,0,0,1|1,0,0]=2 317 B16R2.3989 OC(=O)CC1Oc2ccccc2NC1=O 1P0083X2 [0,0,0,0,0,1|2,0,1]=4 318 B16R2.3989 OC(=O)CC1Sc2ccccc2NC1=O 1P003C9L [0,0,0,0,0,1|2,0,1]=4 319 B16R2.3989 OC(=O)CN1Cc2ccccc2OC1=O 1P00BWB3 [0,0,0,0,0,1|1,0,1]=3 320 B16R2.3989 OC(=O)Cc1cc2ccccc2[nH]c1=O 1P019NHZ [0,0,0,0,0,1|1,0,0]=2 321 B16R2.3989 OC(=O)Cc1cc2ccccc2cc1Cl 1P029167 [0,0,0,0,0,1|2,0,0]=3 322 B16R2.3989 OC(=O)Cc1cc2ccccc2cc1O 1P028SHU [0,0,0,0,0,1|1,0,1]=3 323 B16R2.3989 OC(=O)Cc1cc2ccccc2oc1=O 1P00BF67 [0,0,0,0,0,1|0,0,0]=1 324 B16R2.3989 OC(=O)Cc1cc2cccnc2cc1F 1P0007DU [0,0,0,0,0,1|3,0,0]=4 325 B16R2.3989 OC(=O)Cc1cc2cccnc2nc1C 1P028M2R [0,0,0,0,0,1|3,0,0]=4 326 B16R2.3989 OC(=O)\C=c/1\sc2ccccc2[nH]c1=O 1P028FJ4 [0,0,0,0,0,1|2,0,0]=3 327 B13R1.348 O=C(Nc1ccccc1)CC(=O)O 1P001OP0 [1,0,1,0,0,0|1,0,1]=4 328 B13R1.348 O=C(Oc1ccccc1)NC(=O)N 1P028FSM [1,0,1,0,0,0|2,0,0]=4 329 B13R1.351 C=C(C(=O)O)COc1ccccc1 1P0283AZ [1,0,1,0,0,0|0,0,1]=3 330 B13R1.90 COc1ccccc1\C=C/C(=O)O 1P001FBY [1,0,1,0,0,0|0,0,1]=3 331 B13R1.90 COc1ccccc1\C=C\C(=O)O 1P0032QM [1,0,1,0,0,0|0,0,1]=3 332 B13R1.90 COc1ncccc1\C=C\C(=O)O 1P00100L [1,0,1,0,0,0|1,0,1]=4 333 B13R1.90 N#Cc1ccccc1C=CC(=O)O 1P00I5UG [1,0,1,0,0,0|1,0,1]=4 334 B13R1.90 N#Cc1ccccc1\C=C/C(=O)O 1P002UGJ [1,0,1,0,0,0|1,0,1]=4 335 B13R1.90 N#Cc1ccccc1\C=C\C(=O)O 1P00EJ2G [1,0,1,0,0,0|1,0,1]=4 336 B13R1.90 O=Cc1ccccc1OCC(=O)O 1P003HT1 [1,0,1,0,0,0|1,0,1]=4 337 B13R1.90 O=Cc1ccccc1\C=C\C(=O)O 1P000UEE [1,0,1,0,0,0|0,0,0]=2 338 B13R1.202 OC(=O)C(=C)Cc1ccccc1Cl 1P0288JZ [1,0,1,0,0,0|1,0,1]=4 339 B13R1.202 OC(=O)C(=Cc1ccccc1Cl)C 1P001SWO [1,0,1,0,0,0|1,0,1]=4 340 B13R1.202 OC(=O)C(=O)Cc1ccccc1Br 1P0098U1 [1,0,1,0,0,0|1,0,1]=4 341 B13R1.202 OC(=O)C(=O)Cc1ccccc1Cl 1P00CPAH [1,0,1,0,0,0|1,0,1]=4 342 B13R1.202 OC(=O)C(=O)Nc1ccccc1Cl 1P00G4XZ [1,0,1,0,0,0|2,0,0]=4 343 B13R1.202 OC(=O)C(=O)Nc1ccccc1F 1P00G4XX [1,0,1,0,0,0|2,0,0]=4 344 B13R1.418 N#CC(=Cc1ccccc1)C(=O)O 1P000480 [1,0,1,0,0,0|1,0,1]=4 345 B13R2.57 C=Cc1ccc2c(c1)cccc2 1P0038VJ [2,0,0,0,0,0|2,0,0]=4 346 B13R2.57 O=CC1=COc2c(O1)cccc2 1P01DZAU [2,0,0,0,0,0|1,0,0]=3 347 B13R2.57 O=CC1=Cc2c(OC1)cccc2 1P00D9YM [2,0,0,0,0,0|0,0,1]=3 348 B13R2.57 O=Cc1ccc2c(c1)cccc2 1P0033V7 [2,0,0,0,0,0|1,0,0]=3 349 B13R2.57 O=Cc1ccc2c(c1)cccn2 1P0034U8 [2,0,0,0,0,0|2,0,0]=4 350 B13R2.57 O=Cc1ccc2c(c1)ccnc2 1P001Z2D [2,0,0,0,0,0|2,0,0]=4 351 B13R2.57 O=Cc1ccc2c(c1)cncc2 1P004Q4J [2,0,0,0,0,0|2,0,0]=4 352 B13R2.57 O=Cc1ccc2c(c1)nccc2 1P003NW2 [2,0,0,0,0,0|2,0,0]=4 353 B13R2.57 O=Cc1ccc2c(n1)cccc2 1P0033WI [2,0,0,0,0,0|2,0,0]=4 354 B13R2.57 O=Cc1cnc2c(c1)cccc2 1P0012OS [2,0,0,0,0,0|1,0,0]=3 355 B13R2.57 O=Cc1cnc2c(c1)nccc2 1P00IK5B [2,0,0,0,0,0|2,0,0]=4 356 B13R2.57 O=Cc1cnc2c(n1)cccc2 1P001R2D [2,0,0,0,0,0|2,0,0]=4 357 B13R2.57 O=Cc1ncc2c(c1)cccc2 1P00D8HH [2,0,0,0,0,0|2,0,0]=4 358 B13R2.57 OCc1ccc2c(c1)cccc2 1P003I7X [2,0,0,0,0,0|1,0,1]=4 359 B13R2.57 OCc1cnc2c(c1)cccc2 1P0012OR [2,0,0,0,0,0|1,0,1]=4 360 B13R2.57 OCc1cnc2c(c1)cccc2 1P01A19R [2,0,0,0,0,0|1,0,1]=4 361 B13R2.369 Cc1cc2ccccc2cc1O 1P003HUQ [2,0,0,0,0,0|2,0,0]=4 362 B13R2.369 Nc1cc2ccccc2cc1O 1P00341G [2,0,0,0,0,0|2,0,0]=4 363 B13R2.369 Nc1cc2ccccc2cc1O 1P027VMR [2,0,0,0,0,0|2,0,0]=4 364 B13R2.369 O=c1[nH]c2ccccc2[nH]c1=O 1P001QEA [2,0,0,0,0,0|2,0,0]=4 365 B13R2.369 O=c1[nH]c2ccccc2cc1F 1P000MJ1 [2,0,0,0,0,0|2,0,0]=4 366 B13R2.369 O=c1[nH]c2ccccc2cc1I 1P00D567 [2,0,0,0,0,0|2,0,0]=4 367 B13R2.369 O=c1[nH]c2ccccc2cc1N 1P00EH1P [2,0,0,0,0,0|2,0,0]=4 368 B13R2.369 O=c1[nH]c2ccccc2cc1O 1P002TG4 [2,0,0,0,0,0|1,0,0]=3 369 B13R2.369 O=c1oc2ccccc2[nH]c1=O 1P00BYKI [2,0,0,0,0,0|1,0,0]=3 370 B13R2.369 O=c1oc2ccccc2cc1Br 1P006BXN [2,0,0,0,0,0|1,0,0]=3 371 B13R2.369 O=c1oc2ccccc2cc1C 1P00BCS4 [2,0,0,0,0,0|0,0,1]=3 372 B13R2.369 O=c1oc2ccccc2cc1Cl 1P00GTIC [2,0,0,0,0,0|1,0,0]=3 373 B13R2.369 O=c1oc2ccccc2cc1N 1P001UMM [2,0,0,0,0,0|1,0,0]=3 374 B13R2.369 O=c1oc2ccccc2nc1Cl 1P00I5NK [2,0,0,0,0,0|2,0,0]=4 375 B13R2.369 Oc1cc2ccccc2cc1Br 1P0030Q3 [2,0,0,0,0,0|2,0,0]=4 376 B13R2.369 Oc1cc2ccccc2cc1Cl 1P00EGO9 [2,0,0,0,0,0|2,0,0]=4 377 B13R2.369 Oc1cc2ccccc2cc1F 1P028W12 [2,0,0,0,0,0|2,0,0]=4 378 B13R2.369 Oc1cc2ccccc2cc1O 1P0033EP [2,0,0,0,0,0|1,0,1]=4 379 B13R2.369 Oc1cc2ccccc2nc1C 1P00EHUA [2,0,0,0,0,0|2,0,0]=4 380 B13R2.369 Oc1cc2ccccc2nc1Cl 1P000YRW [2,0,0,0,0,0|2,0,0]=4 381 B15R1.5914 CC(Oc1ccccc1C=CC(=O)O)C 1P01ANZI [0,1,1,0,0,0|1,0,1]=4 382 B15R1.5914 FC(Oc1ccccc1\C=C\C(=O)O)F 1P000XXV [0,1,1,0,0,0|1,0,1]=4 383 B15R1.5914 OC(=O)C=Cc1ccccc1OC(=O)C 1P003GRD [0,1,1,0,0,0|0,0,0]=2 384 B15R1.5914 OC(=O)CCc1ccccc1OC(=O)C 1P00789Q [0,1,1,0,0,0|0,0,2]=4 385 B15R1.5914 OC(=O)\C=C\c1ccccc1NC(=O)C 1P003BJ2 [0,1,1,0,0,0|1,0,0]=3 386 B15R1.8148 NC(=O)C(=Cc1ccccc1O)C(=S)N 1P019PJP [0,1,1,0,0,0|1,1,0]=4 387 B15R1.8148 OC(=O)C(=Cc1ccccc1O)C(=S)N 1P019OBC [0,1,1,0,0,0|0,1,0]=3 388 B15R1.11335 OC(=O)C(C(=O)O)Cc1ccc(cc1)Br 1P006G13 [0,1,1,0,0,0|0,0,2]=4 389 B15R2.627 CC(=O)c1ccc2c(c1I)cccc2 1P01ELZ0 [1,1,0,0,0,0|2,0,0]=4 390 B15R2.627 CC(=O)c1ccc2c(c1N)cccc2 1P01B65D [1,1,0,0,0,0|2,0,0]=4 391 B15R2.627 CC(=O)c1ccc2c(c1O)cccc2 1P00338W [1,1,0,0,0,0|2,0,0]=4 392 B15R2.627 NC(=O)c1c[nH]c2c(c1=O)cccc2 1P01C2TA [1,1,0,0,0,0|2,0,0]=4 393 B15R2.627 NC(=O)c1ccc2c(c1Br)cccc2 1P02930X [1,1,0,0,0,0|2,0,0]=4 394 B15R2.627 OC(=O)c1c[nH]c2c(c1=O)cccc2 1P0013EI [1,1,0,0,0,0|1,0,0]=3 395 B15R2.627 OC(=O)c1c[nH]c2c(c1=O)cncc2 1P01B9GE [1,1,0,0,0,0|2,0,0]=4 396 B15R2.627 OC(=O)c1c[nH]c2c(c1=O)nccc2 1P00DMDI [1,1,0,0,0,0|2,0,0]=4 397 B15R2.627 OC(=O)c1ccc2c([n+]1[O-])cccc2 1P01HF5G [1,1,0,0,0,0|2,0,0]=4 398 B15R2.627 OC(=O)c1ccc2c(c1Br)cccc2 1P002JCF [1,1,0,0,0,0|1,0,0]=3 399 B15R2.627 OC(=O)c1ccc2c(c1Br)cccn2 1P00OYUY [1,1,0,0,0,0|2,0,0]=4 400 B15R2.627 OC(=O)c1ccc2c(c1Br)nccc2 1P028RIH [1,1,0,0,0,0|2,0,0]=4 401 B15R2.627 OC(=O)c1ccc2c(c1C)cccc2 1P01DN7A [1,1,0,0,0,0|1,0,0]=3 402 B15R2.627 OC(=O)c1ccc2c(c1Cl)cccn2 1P01C6YE [1,1,0,0,0,0|2,0,0]=4 403 B15R2.627 OC(=O)c1ccc2c(c1Cl)nccc2 1P01XD7N [1,1,0,0,0,0|2,0,0]=4 404 B15R2.627 OC(=O)c1ccc2c(c1F)cccc2 1P01DITG [1,1,0,0,0,0|1,0,0]=3 405 B15R2.627 OC(=O)c1ccc2c(c1F)cccn2 1P028KTN [1,1,0,0,0,0|2,0,0]=4 406 B15R2.627 OC(=O)c1ccc2c(c1F)nccc2 1P01XCYV [1,1,0,0,0,0|2,0,0]=4 407 B15R2.627 OC(=O)c1ccc2c(c1N)cccc2 1P0071JM [1,1,0,0,0,0|1,0,0]=3 408 B15R2.627 OC(=O)c1ccc2c(c1N)nccc2 1P01AB5B [1,1,0,0,0,0|2,0,0]=4 409 B15R2.627 OC(=O)c1ccc2c(c1O)cccc2 1P00338Y [1,1,0,0,0,0|1,0,0]=3 410 B15R2.627 OC(=O)c1ccc2c(c1O)ccnc2 1P00J39Q [1,1,0,0,0,0|2,0,0]=4 411 B15R2.627 OC(=O)c1ccc2c(c1O)nccc2 1P002BVM [1,1,0,0,0,0|2,0,0]=4 412 B15R2.627 OC(=O)c1ccc2c(c1S)cccc2 1P028QTR [1,1,0,0,0,0|1,0,0]=3 413 B15R2.627 OC(=O)c1cnc2c(c1C)cccc2 1P009T04 [1,1,0,0,0,0|1,0,0]=3 414 B15R2.627 OC(=O)c1cnc2c(c1Cl)cccc2 1P002762 [1,1,0,0,0,0|1,0,0]=3 415 B15R2.627 OC(=O)c1cnc2c(c1N)cccc2 1P00FDKR [1,1,0,0,0,0|1,0,0]=3 416 B15R2.627 OC(=O)c1cnc2c(c1O)cccc2 1P0037SM [1,1,0,0,0,0|1,0,0]=3 417 B15R2.627 OC(=O)c1cnc2c(c1O)nccc2 1P0037K4 [1,1,0,0,0,0|2,0,0]=4 418 B15R2.627 OC(=O)c1cnc2n(c1=O)cccc2 1P0036DU [1,1,0,0,0,0|2,0,0]=4 419 B15R2.627 OC(=O)c1cnc2n(c1=O)cccc2 1P019MP6 [1,1,0,0,0,0|2,0,0]=4 420 B15R2.627 OC(=O)c1coc2c(c1=O)cccc2 1P003PCZ [1,1,0,0,0,0|0,0,0]=2 421 B15R2.627 OC(=O)c1n[nH]c2c(c1=O)cccc2 1P007S2F [1,1,0,0,0,0|2,0,0]=4 422 B15R2.627 OC(=O)c1ncc2c(c1N)cccc2 1P01C42B [1,1,0,0,0,0|2,0,0]=4 423 B15R2.627 OC(=O)c1ncc2c(c1O)cccc2 1P00BHWE [1,1,0,0,0,0|2,0,0]=4 424 B15R2.627 OC(=O)c1nnc2c(c1N)cccc2 1P007ZHJ [1,1,0,0,0,0|2,0,0]=4 425 B15R2.627 OC(=O)c1nnc2c(c1N)cccc2 1P028UP8 [1,1,0,0,0,0|2,0,0]=4 426 B15R2.627 [O-]C(=O)c1cnc2c(c1Br)cccc2 1P028PNR [1,1,0,0,0,0|1,0,1]=4 427 B15R2.627 [O-]C(=O)c1cnc2c(c1Cl)cccc2 1P01FJ41 [1,1,0,0,0,0|1,0,1]=4 428 B15R2.1601 BrCC(=O)c1ccc2c(c1)cccc2 1P003H2X [1,1,0,0,0,0|2,0,0]=4 429 B15R2.1601 C=CC(=O)c1ccc2c(c1)cccc2 1P00DB7B [1,1,0,0,0,0|2,0,0]=4 430 B15R2.1601 CCC(=O)c1ccc2c(c1)cccc2 1P00EKFY [1,1,0,0,0,0|2,0,0]=4 431 B15R2.1601 CCC(=O)c1cnc2c(c1)cccc2 1P027VRZ [1,1,0,0,0,0|2,0,0]=4 432 B15R2.1601 COC(=O)C1=CNc2c(C1)cccc2 1P01C2J1 [1,1,0,0,0,0|1,0,1]=4 433 B15R2.1601 COC(=O)C1=Cc2c(CC1)cccc2 1P00I9QQ [1,1,0,0,0,0|1,0,1]=4 434 B15R2.1601 COC(=O)C1=Cc2c(OC1)cccc2 1P00C91C [1,1,0,0,0,0|0,0,1]=3 435 B15R2.1601 COC(=O)c1ccc2c(c1)cccc2 1P002P57 [1,1,0,0,0,0|1,0,0]=3 436 B15R2.1601 COC(=O)c1ccc2c(c1)cccn2 1P003SJ8 [1,1,0,0,0,0|2,0,0]=4 437 B15R2.1601 COC(=O)c1ccc2c(c1)ccnc2 1P001Z2C [1,1,0,0,0,0|2,0,0]=4 438 B15R2.1601 COC(=O)c1ccc2c(c1)cncc2 1P0026CF [1,1,0,0,0,0|2,0,0]=4 439 B15R2.1601 COC(=O)c1ccc2c(c1)nccc2 1P006W2G [1,1,0,0,0,0|2,0,0]=4 440 B15R2.1601 COC(=O)c1ccc2c(n1)cccc2 1P00AMBN [1,1,0,0,0,0|2,0,0]=4 441 B15R2.1601 COC(=O)c1ccc2c(n1)cccc2 1P01AB6Y [1,1,0,0,0,0|2,0,0]=4 442 B15R2.1601 COC(=O)c1cnc2c(c1)cccc2 1P00D9EK [1,1,0,0,0,0|1,0,0]=3 443 B15R2.1601 COC(=O)c1cnc2c(c1)nccc2 1P00HJDK [1,1,0,0,0,0|2,0,0]=4 444 B15R2.1601 COC(=O)c1cnc2c(n1)cccc2 1P00762B [1,1,0,0,0,0|2,0,0]=4 445 B15R2.1601 COC(=O)c1ncc2c(c1)cccc2 1P003S9C [1,1,0,0,0,0|2,0,0]=4 446 B15R2.1601 NNC(=O)c1ccc2c(c1)cccc2 1P003I7Z [1,1,0,0,0,0|2,0,0]=4 447 B15R2.1601 NNC(=O)c1cnc2c(c1)cccc2 1P00IB03 [1,1,0,0,0,0|2,0,0]=4 448 B15R2.1601 O=CC(=O)c1ccc2c(c1)cccc2 1P00ICXC [1,1,0,0,0,0|1,0,1]=4 449 B15R2.1601 ON=C(c1ccc2c(c1)cccc2)N 1P00EEPN [1,1,0,0,0,0|2,0,0]=4 450 B15R2.1601 ONC(=O)c1ccc2c(n1)cccc2 1P007B45 [1,1,0,0,0,0|2,0,0]=4 451 B15R2.4441 OS(=O)(=O)c1ccc2c(c1)cccc2 1P000QGU [1,1,0,0,0,0|2,0,0]=4 452 B15R2.7174 Brc1ccc2c(c1)cc(cc2)C(=O)O 1P00DKAK [1,1,0,0,0,0|1,0,0]=3 453 B15R2.7174 Brc1ccc2c(c1)cc(cn2)C(=O)C 1P009JL2 [1,1,0,0,0,0|2,0,0]=4 454 B15R2.7174 Brc1ccc2c(c1)cc(cn2)C(=O)N 1P000U1Y [1,1,0,0,0,0|2,0,0]=4 455 B15R2.7174 Brc1ccc2c(c1)cc(cn2)C(=O)O 1P00504J [1,1,0,0,0,0|1,0,0]=3 456 B15R2.7174 Brc1ccc2c(c1)cc(nc2)C(=O)O 1P001HB2 [1,1,0,0,0,0|2,0,0]=4 457 B15R2.7174 Brc1ccc2c(c1)cc(nc2)C(=O)O 1P028B8A [1,1,0,0,0,0|2,0,0]=4 458 B15R2.7174 Brc1ccc2c(c1)nc(cc2)C(=O)O 1P008ZHW [1,1,0,0,0,0|2,0,0]=4 459 B15R2.7174 Brc1cnc2c(c1)cc(cc2)C(=O)O 1P002AC4 [1,1,0,0,0,0|2,0,0]=4 460 B15R2.7174 Cc1cc2C=C(COc2cc1)C(=O)O 1P01BZM1 [1,1,0,0,0,0|0,0,1]=3 461 B15R2.7174 Cc1ccc2c(c1)cc(cc2)C(=O)O 1P024V74 [1,1,0,0,0,0|1,0,0]=3 462 B15R2.7174 Cc1ccc2c(c1)cc(cn2)C(=O)O 1P007NG0 [1,1,0,0,0,0|1,0,0]=3 463 B15R2.7174 Cc1ccc2c(c1)cc(nc2)C(=O)O 1P028A7V [1,1,0,0,0,0|2,0,0]=4 464 B15R2.7174 Cc1ccc2c(c1)nc(cc2)C(=O)O 1P005LKF [1,1,0,0,0,0|2,0,0]=4 465 B15R2.7174 Clc1ccc2c(c1)cc(cn2)C(=O)O 1P0081DQ [1,1,0,0,0,0|1,0,0]=3 466 B15R2.7174 Clc1ccc2c(c1)cc(nc2)C(=O)O 1P01BJNG [1,1,0,0,0,0|2,0,0]=4 467 B15R2.7174 Clc1ccc2c(c1)nc(cc2)C(=O)O 1P00I50S [1,1,0,0,0,0|2,0,0]=4 468 B15R2.7174 Clc1ccc2c(n1)cc(cc2)C(=O)O 1P0096B7 [1,1,0,0,0,0|2,0,0]=4 469 B15R2.7174 Clc1ncc2c(c1)cc(cc2)C(=O)O 1P000OTL [1,1,0,0,0,0|2,0,0]=4 470 B15R2.7174 Clc1ncc2c(c1)cc(cn2)C(=O)O 1P028RUJ [1,1,0,0,0,0|2,0,0]=4 471 B15R2.7174 Fc1ccc2c(c1)cc(cc2)C(=O)C 1P01PV3O [1,1,0,0,0,0|2,0,0]=4 472 B15R2.7174 Fc1ccc2c(c1)cc(cn2)C(=O)O 1P000CL7 [1,1,0,0,0,0|1,0,0]=3 473 B15R2.7174 Fc1ccc2c(c1)cc(nc2)C(=O)O 1P01BJNI [1,1,0,0,0,0|2,0,0]=4 474 B15R2.7174 Fc1ccc2c(c1)cc(nc2)C(=O)O 1P01K0S7 [1,1,0,0,0,0|2,0,0]=4 475 B15R2.7174 Fc1cnc2c(c1)cc(cc2)C(=O)O 1P0024C5 [1,1,0,0,0,0|2,0,0]=4 476 B15R2.7174 Nc1ccc2c(c1)cc(cn2)C(=O)O 1P006ZG5 [1,1,0,0,0,0|1,0,0]=3 477 B15R2.7174 Nc1ccc2c(c1)nc(cc2)C(=O)O 1P007VYI [1,1,0,0,0,0|2,0,0]=4 478 B15R2.7174 Nc1ccc2c(n1)cc(cc2)C(=O)O 1P0096CK [1,1,0,0,0,0|2,0,0]=4 479 B15R2.7174 Nc1ccc2c(n1)cc(cc2)C(=O)O 1P027U9P [1,1,0,0,0,0|2,0,0]=4 480 B15R2.7174 Nc1ccc2c(n1)cc(cn2)C(=O)O 1P01FQ9M [1,1,0,0,0,0|2,0,0]=4 481 B15R2.7174 Nc1cnc2c(c1)cc(cc2)C(=O)O 1P00ASHC [1,1,0,0,0,0|2,0,0]=4 482 B15R2.7174 OC(=O)C1=Cc2c(OC1)ccc(c2)Br 1P0076W5 [1,1,0,0,0,0|0,0,1]=3 483 B15R2.7174 OC(=O)C1=Cc2c(OC1)ccc(c2)Cl 1P008IHI [1,1,0,0,0,0|0,0,1]=3 484 B15R2.7174 OC(=O)C1=Cc2c(OC1)ccc(c2)F 1P00P94N [1,1,0,0,0,0|0,0,1]=3 485 B15R2.7174 OC(=O)C1=Cc2c(SC1)ccc(c2)Br 1P028UEL [1,1,0,0,0,0|0,1,1]=4 486 B15R2.7174 OC(=O)c1cc2cc(Br)ccc2nn1 1P02858G [1,1,0,0,0,0|2,0,0]=4 487 B15R2.7174 OC(=O)c1cc2cc(Br)cnc2nc1 1P01AGJ1 [1,1,0,0,0,0|2,0,0]=4 488 B15R2.7174 OC(=O)c1ccc2c(c1)[nH]c(=O)cc2 1P00D4VK [1,1,0,0,0,0|2,0,0]=4 489 B15R2.7174 OC(=O)c1cnc2c(c1)[nH]c(=O)cc2 1P001NDF [1,1,0,0,0,0|2,0,0]=4 490 B15R2.7174 Oc1ccc2c(c1)cc(cc2)C(=O)O 1P00F3FA [1,1,0,0,0,0|1,0,0]=3 491 B15R2.7174 Oc1ccc2c(c1)cc(cn2)C(=O)O 1P000A4I [1,1,0,0,0,0|1,0,0]=3 492 B15R2.7174 Oc1ccc2c(c1)nc(cc2)C(=O)O 1P020MX0 [1,1,0,0,0,0|2,0,0]=4 493 B15R2.7174 Oc1cnc2c(c1)cc(cc2)C(=O)O 1P000KTE [1,1,0,0,0,0|2,0,0]=4 494 B15R2.7180 Brc1ccc2c(c1)ccc(c2)C(=O)C 1P001RJW [1,1,0,0,0,0|2,0,0]=4 495 B15R2.7180 Brc1ccc2c(c1)ccc(c2)C(=O)Cl 1P00IF6X [1,1,0,0,0,0|2,0,0]=4 496 B15R2.7180 Brc1ccc2c(c1)ccc(c2)C(=O)N 1P00A620 [1,1,0,0,0,0|2,0,0]=4 497 B15R2.7180 Brc1ccc2c(c1)ccc(c2)C(=O)O 1P0034ST [1,1,0,0,0,0|1,0,0]=3 498 B15R2.7180 Brc1ccc2c(c1)ccc(n2)C(=O)O 1P006QK7 [1,1,0,0,0,0|2,0,0]=4 499 B15R2.7180 Brc1ccc2c(c1)cnc(c2)C(=O)O 1P00390J [1,1,0,0,0,0|2,0,0]=4 500 B15R2.7180 Brc1ccc2c(c1)ncc(c2)C(=O)C 1P000K34 [1,1,0,0,0,0|2,0,0]=4 501 B15R2.7180 Brc1ccc2c(c1)ncc(c2)C(=O)N 1P000U1Z [1,1,0,0,0,0|2,0,0]=4 502 B15R2.7180 Brc1ccc2c(c1)ncc(c2)C(=O)O 1P0038TW [1,1,0,0,0,0|1,0,0]=3 503 B15R2.7180 Brc1ccc2c(c1)nnc(c2)C(=O)O 1P0281CZ [1,1,0,0,0,0|2,0,0]=4 504 B15R2.7180 Brc1ccc2c(n1)ccc(c2)C(=O)O 1P002688 [1,1,0,0,0,0|2,0,0]=4 505 B15R2.7180 Brc1cnc2c(c1)ccc(c2)C(=O)O 1P009DUO [1,1,0,0,0,0|2,0,0]=4 506 B15R2.7180 Brc1cnc2c(c1)ncc(c2)C(=O)O 1P00IJXE [1,1,0,0,0,0|2,0,0]=4 507 B15R2.7180 Cc1ccc2c(c1)ccc(c2)C(=O)C 1P00E128 [1,1,0,0,0,0|2,0,0]=4 508 B15R2.7180 Cc1ccc2c(c1)ccc(c2)C(=O)O 1P00ELXB [1,1,0,0,0,0|1,0,0]=3 509 B15R2.7180 Cc1ccc2c(c1)ccc(n2)C(=O)O 1P001PV8 [1,1,0,0,0,0|2,0,0]=4 510 B15R2.7180 Cc1ccc2c(c1)ncc(c2)C(=O)O 1P006SHK [1,1,0,0,0,0|1,0,0]=3 511 B15R2.7180 Cc1ccc2c(n1)ccc(c2)C(=O)O 1P003I4W [1,1,0,0,0,0|2,0,0]=4 512 B15R2.7180 Cc1cnc2c(c1)ccc(c2)C(=O)O 1P00I3WG [1,1,0,0,0,0|2,0,0]=4 513 B15R2.7180 Cc1cnc2c(c1)ccc(c2)C(=O)O 1P02021W [1,1,0,0,0,0|2,0,0]=4 514 B15R2.7180 Clc1ccc2c(c1)OCC(=C2)C(=O)O 1P01C7L1 [1,1,0,0,0,0|0,0,1]=3 515 B15R2.7180 Clc1ccc2c(c1)ccc(c2)C(=O)O 1P00DGWQ [1,1,0,0,0,0|1,0,0]=3 516 B15R2.7180 Clc1ccc2c(c1)ccc(n2)C(=O)O 1P00ELVA [1,1,0,0,0,0|2,0,0]=4 517 B15R2.7180 Clc1ccc2c(c1)cnc(c2)C(=O)O 1P002NLP [1,1,0,0,0,0|2,0,0]=4 518 B15R2.7180 Clc1ccc2c(c1)ncc(c2)C(=O)O 1P0036QM [1,1,0,0,0,0|1,0,0]=3 519 B15R2.7180 Clc1ccc2c(c1)ncc(n2)C(=O)O 1P00BO0L [1,1,0,0,0,0|2,0,0]=4 520 B15R2.7180 Clc1ccc2c(c1)nnc(c2)C(=O)O 1P00I97V [1,1,0,0,0,0|2,0,0]=4 521 B15R2.7180 Clc1ccc2c(n1)ccc(c2)C(=O)O 1P0051EI [1,1,0,0,0,0|2,0,0]=4 522 B15R2.7180 Clc1ccc2c(n1)ncc(c2)C(=O)O 1P01DS4L [1,1,0,0,0,0|2,0,0]=4 523 B15R2.7180 Clc1cnc2c(c1)ccc(c2)C(=O)O 1P0024AR [1,1,0,0,0,0|2,0,0]=4 524 B15R2.7180 Fc1ccc2c(c1)ccc(c2)C(=O)C 1P01K17N [1,1,0,0,0,0|2,0,0]=4 525 B15R2.7180 Fc1ccc2c(c1)ccc(c2)C(=O)O 1P003NO4 [1,1,0,0,0,0|1,0,0]=3 526 B15R2.7180 Fc1ccc2c(c1)ccc(n2)C(=O)O 1P004MS2 [1,1,0,0,0,0|2,0,0]=4 527 B15R2.7180 Fc1ccc2c(c1)cnc(c2)C(=O)O 1P00DLL6 [1,1,0,0,0,0|2,0,0]=4 528 B15R2.7180 Fc1ccc2c(c1)cnc(c2)C(=O)O 1P01K1DT [1,1,0,0,0,0|2,0,0]=4 529 B15R2.7180 Fc1ccc2c(c1)ncc(c2)C(=O)O 1P005ZYQ [1,1,0,0,0,0|1,0,0]=3 530 B15R2.7180 Fc1ccc2c(c1)nnc(c2)C(=O)O 1P028LCH [1,1,0,0,0,0|2,0,0]=4 531 B15R2.7180 Fc1cnc2c(c1)ccc(c2)C(=O)O 1P00I1X0 [1,1,0,0,0,0|2,0,0]=4 532 B15R2.7180 Ic1ccc2c(c1)ccc(n2)C(=O)O 1P01BGMZ [1,1,0,0,0,0|2,0,0]=4 533 B15R2.7180 Ic1cnc2c(c1)ccc(c2)C(=O)O 1P0285NQ [1,1,0,0,0,0|2,0,0]=4 534 B15R2.7180 Nc1ccc2c(c1)ccc(c2)C(=O)C 1P00FI97 [1,1,0,0,0,0|2,0,0]=4 535 B15R2.7180 Nc1ccc2c(c1)ccc(c2)C(=O)O 1P000DEY [1,1,0,0,0,0|1,0,0]=3 536 B15R2.7180 Nc1ccc2c(n1)ccc(c2)C(=O)O 1P005M9S [1,1,0,0,0,0|2,0,0]=4 537 B15R2.7180 Nc1ccc2c(n1)ccc(c2)C(=O)O 1P027WIJ [1,1,0,0,0,0|2,0,0]=4 538 B15R2.7180 Nc1cnc2c(c1)ccc(c2)C(=O)O 1P0024AQ [1,1,0,0,0,0|2,0,0]=4 539 B15R2.7180 Nc1cnc2c(c1)ncc(c2)C(=O)O 1P01KZK5 [1,1,0,0,0,0|2,0,0]=4 540 B15R2.7180 Nc1ncc2c(c1)ccc(c2)C(=O)O 1P00HTGY [1,1,0,0,0,0|2,0,0]=4 541 B15R2.7180 O=c1ccc2c(o1)ccc(c2)C(=O)O 1P008NLR [1,1,0,0,0,0|2,0,0]=4 542 B15R2.7180 OC(=O)c1ccc2c(c1)ccc(=O)[nH]2 1P00374E [1,1,0,0,0,0|2,0,0]=4 543 B15R2.7180 Oc1ccc2c(c1)ccc(c2)C(=O)C 1P008UXM [1,1,0,0,0,0|2,0,0]=4 544 B15R2.7180 Oc1ccc2c(c1)ccc(c2)C(=O)O 1P001XM1 [1,1,0,0,0,0|1,0,0]=3 545 B15R2.7180 Oc1ccc2c(c1)ccc(n2)C(=O)O 1P005Y9S [1,1,0,0,0,0|2,0,0]=4 546 B15R2.7180 Oc1ccc2c(c1)ncc(c2)C(=O)O 1P00FHW4 [1,1,0,0,0,0|1,0,0]=3 547 B15R2.7180 Oc1ccc2c(n1)ncc(c2)C(=O)O 1P01DS4K [1,1,0,0,0,0|2,0,0]=4 548 B15R2.7180 Oc1cnc2c(c1)ccc(c2)C(=O)O 1P00BJLA [1,1,0,0,0,0|2,0,0]=4 549 B15R2.7180 Oc1cnc2c(c1)ncc(c2)C(=O)O 1P01XDQ1 [1,1,0,0,0,0|2,0,0]=4 550 B15R2.13598 Cc1cccc2c1nnc(c2)C(=O)O 1P028JPC [1,1,0,0,0,0|2,0,0]=4 551 B15R2.13598 Nc1ccnc2c1ncc(c2)C(=O)O 1P01V6XT [1,1,0,0,0,0|2,0,0]=4 552 B15R2.13598 OC(=O)C1=Cc2c(OC1)c(Br)ccc2 1P0047F1 [1,1,0,0,0,0|0,0,1]=3 553 B15R2.13598 OC(=O)C1=Cc2c(OC1)c(O)ccc2 1P019UR6 [1,1,0,0,0,0|0,0,1]=3 554 B15R2.13598 OC(=O)c1cc2nccc(c2nc1)Br 1P01V6WU [1,1,0,0,0,0|2,0,0]=4 555 B15R2.13598 OC(=O)c1cc2nccc(c2nc1)Cl 1P01JX81 [1,1,0,0,0,0|2,0,0]=4 556 B15R2.13598 OC(=O)c1ccc2c(c1)[nH]ccc2=O 1P029150 [1,1,0,0,0,0|2,0,0]=4 557 B15R2.13598 OC(=O)c1ccc2c(c1)cc[nH]c2=O 1P000UHR [1,1,0,0,0,0|2,0,0]=4 558 B15R2.13598 OC(=O)c1ccc2c(c1)cccc2Br 1P0004NE [1,1,0,0,0,0|1,0,0]=3 559 B15R2.13598 OC(=O)c1ccc2c(c1)cccc2Cl 1P00EGOH [1,1,0,0,0,0|1,0,0]=3 560 B15R2.13598 OC(=O)c1ccc2c(c1)ccnc2Br 1P024HSZ [1,1,0,0,0,0|2,0,0]=4 561 B15R2.13598 OC(=O)c1ccc2c(c1)ccnc2Cl 1P000OT9 [1,1,0,0,0,0|2,0,0]=4 562 B15R2.13598 OC(=O)c1ccc2c(c1)ccnc2N 1P01AM8C [1,1,0,0,0,0|2,0,0]=4 563 B15R2.13598 OC(=O)c1ccc2c(c1)ccnc2N 1P0285W6 [1,1,0,0,0,0|2,0,0]=4 564 B15R2.13598 OC(=O)c1ccc2c(c1)cncc2Br 1P01JX67 [1,1,0,0,0,0|2,0,0]=4 565 B15R2.13598 OC(=O)c1ccc2c(c1)nccc2Cl 1P006ZAH [1,1,0,0,0,0|2,0,0]=4 566 B15R2.13598 OC(=O)c1ccc2c(c1)nccc2N 1P009WHH [1,1,0,0,0,0|2,0,0]=4 567 B15R2.13598 OC(=O)c1ccc2c(c1)occc2=O 1P01B87L [1,1,0,0,0,0|2,0,0]=4 568 B15R2.13598 OC(=O)c1ccc2c(n1)cccc2Br 1P0005TP [1,1,0,0,0,0|2,0,0]=4 569 B15R2.13598 OC(=O)c1ccc2c(n1)cccc2Br 1P028FW0 [1,1,0,0,0,0|2,0,0]=4 570 B15R2.13598 OC(=O)c1ccc2c(n1)cccc2Cl 1P00DM6H [1,1,0,0,0,0|2,0,0]=4 571 B15R2.13598 OC(=O)c1ccc2c(n1)cccc2F 1P00I9M1 [1,1,0,0,0,0|2,0,0]=4 572 B15R2.13598 OC(=O)c1cnc2c(c1)cc[nH]c2=O 1P01EKPQ [1,1,0,0,0,0|2,0,0]=4 573 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2Br 1P0038GJ [1,1,0,0,0,0|1,0,0]=3 574 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2C 1P00ICLM [1,1,0,0,0,0|1,0,0]=3 575 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2C 1P0290SH [1,1,0,0,0,0|1,0,0]=3 576 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2Cl 1P005ERL [1,1,0,0,0,0|1,0,0]=3 577 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2F 1P00FH53 [1,1,0,0,0,0|1,0,0]=3 578 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2N 1P001H8W [1,1,0,0,0,0|1,0,0]=3 579 B15R2.13598 OC(=O)c1cnc2c(c1)cccc2O 1P00IGY9 [1,1,0,0,0,0|1,0,0]=3 580 B15R2.13598 OC(=O)c1cnc2c(c1)cncc2Br 1P01JX37 [1,1,0,0,0,0|2,0,0]=4 581 B15R2.13598 OC(=O)c1ncc2c(c1)cccc2Br 1P01BJNP [1,1,0,0,0,0|2,0,0]=4 582 B15R2.13598 OC(=O)c1ncc2c(c1)cccc2Cl 1P01BJNR [1,1,0,0,0,0|2,0,0]=4 583 B15R2.13598 OC(=O)c1ncc2c(c1)cccc2N 1P028CLJ [1,1,0,0,0,0|2,0,0]=4 584 B15R2.14951 NC(=O)c1cc(Br)c2c(c1)cccc2 1P01K160 [1,1,0,0,0,0|2,0,0]=4 585 B15R2.14951 OC(=O)c1cc(=O)c2c([nH]1)cccc2 1P0072P6 [1,1,0,0,0,0|2,0,0]=4 586 B15R2.14951 OC(=O)c1cc(=O)c2c(o1)cccc2 1P00714I [1,1,0,0,0,0|2,0,0]=4 587 B15R2.14951 OC(=O)c1cc(Br)c2c(c1)cccc2 1P0004NG [1,1,0,0,0,0|1,0,0]=3 588 B15R2.14951 OC(=O)c1cc(Br)c2c(c1)cccn2 1P00GAJL [1,1,0,0,0,0|2,0,0]=4 589 B15R2.14951 OC(=O)c1cc(Br)c2c(c1)nccc2 1P01KXGT [1,1,0,0,0,0|2,0,0]=4 590 B15R2.14951 OC(=O)c1cc(Br)c2c(n1)cccc2 1P002KH3 [1,1,0,0,0,0|2,0,0]=4 591 B15R2.14951 OC(=O)c1cc(C)c2c(c1)cccn2 1P01A6BJ [1,1,0,0,0,0|2,0,0]=4 592 B15R2.14951 OC(=O)c1cc(C)c2c(c1)ccnc2 1P028GJU [1,1,0,0,0,0|2,0,0]=4 593 B15R2.14951 OC(=O)c1cc(C)c2c(n1)cccc2 1P00C0GQ [1,1,0,0,0,0|2,0,0]=4 594 B15R2.14951 OC(=O)c1cc(Cl)c2c(n1)cccc2 1P001PVA [1,1,0,0,0,0|2,0,0]=4 595 B15R2.14951 OC(=O)c1cc(F)c2c(c1)cccc2 1P001484 [1,1,0,0,0,0|1,0,0]=3 596 B15R2.14951 OC(=O)c1cc(F)c2c(c1)cccn2 1P0096BQ [1,1,0,0,0,0|2,0,0]=4 597 B15R2.14951 OC(=O)c1cc(F)c2c(c1)ccnc2 1P01WKKS [1,1,0,0,0,0|2,0,0]=4 598 B15R2.14951 OC(=O)c1cc(F)c2c(c1)nccc2 1P02023U [1,1,0,0,0,0|2,0,0]=4 599 B15R2.14951 OC(=O)c1cc(N)c2c(c1)cccc2 1P00ENM2 [1,1,0,0,0,0|1,0,0]=3 600 B15R2.14951 OC(=O)c1cc(N)c2c(c1)cccn2 1P019S59 [1,1,0,0,0,0|2,0,0]=4 601 B15R2.14951 OC(=O)c1cc(N)c2c(c1)cccn2 1P01EM2Y [1,1,0,0,0,0|2,0,0]=4 602 B15R2.14951 OC(=O)c1cc(N)c2c(n1)cccc2 1P001QAQ [1,1,0,0,0,0|2,0,0]=4 603 B15R2.14951 OC(=O)c1cc(O)c2c(c1)cccc2 1P00ABY2 [1,1,0,0,0,0|1,0,0]=3 604 B15R2.14951 OC(=O)c1cc(O)c2c(c1)cccn2 1P003AKU [1,1,0,0,0,0|2,0,0]=4 605 B15R2.14951 OC(=O)c1cc(O)c2c(c1)cncc2 1P024HB3 [1,1,0,0,0,0|2,0,0]=4 606 B15R2.14951 OC(=O)c1cc(O)c2c(n1)cccc2 1P003M0K [1,1,0,0,0,0|2,0,0]=4 607 B15R2.14951 OC(=O)c1cc(O)c2c(n1)cccc2 1P00C4YL [1,1,0,0,0,0|2,0,0]=4 608 B15R2.14951 OC(=O)c1cc(O)c2c(n1)cccc2 1P00DZNO [1,1,0,0,0,0|2,0,0]=4 609 B15R2.14951 OC(=O)c1cc2ccccc2c(=O)[nH]1 1P008OKD [1,1,0,0,0,0|2,0,0]=4 610 B15R2.14951 OC(=O)c1cc2ccccc2c(=O)o1 1P01BDBI [1,1,0,0,0,0|2,0,0]=4 611 B15R2.14951 OC(=O)c1cc2ccccc2c(n1)Cl 1P008VXU [1,1,0,0,0,0|2,0,0]=4 612 B15R2.61353 OC(=O)c1c[nH]c2c(c1)c(=O)ccc2 1P00IGY8 [1,1,0,0,0,0|1,0,0]=3 613 B15R2.61353 OC(=O)c1ccc2c(c1)c(=O)cc[nH]2 1P028ZV9 [1,1,0,0,0,0|2,0,0]=4 614 B15R2.61353 OC(=O)c1ccc2c(c1)c(Br)ccn2 1P0037ZX [1,1,0,0,0,0|2,0,0]=4 615 B15R2.61353 OC(=O)c1ccc2c(c1)c(Br)cnc2 1P001UT1 [1,1,0,0,0,0|2,0,0]=4 616 B15R2.61353 OC(=O)c1ccc2c(c1)c(C)ccn2 1P005PR5 [1,1,0,0,0,0|2,0,0]=4 617 B15R2.61353 OC(=O)c1ccc2c(c1)c(Cl)ccn2 1P0079HU [1,1,0,0,0,0|2,0,0]=4 618 B15R2.61353 OC(=O)c1ccc2c(c1)c(Cl)ncc2 1P005CZ6 [1,1,0,0,0,0|2,0,0]=4 619 B15R2.61353 OC(=O)c1ccc2c(c1)c(I)ccc2 1P01DJT7 [1,1,0,0,0,0|1,0,0]=3 620 B15R2.61353 OC(=O)c1ccc2c(c1)c(N)ccn2 1P005WNG [1,1,0,0,0,0|2,0,0]=4 621 B15R2.61353 OC(=O)c1ccc2c(c1)c(N)cnc2 1P00I3X0 [1,1,0,0,0,0|2,0,0]=4 622 B15R2.61353 OC(=O)c1ccc2c(c1)c(O)ccc2 1P00VV5D [1,1,0,0,0,0|1,0,0]=3 623 B15R2.61353 OC(=O)c1ccc2c(n1)c(Br)ccc2 1P00GYXI [1,1,0,0,0,0|2,0,0]=4 624 B15R2.61353 OC(=O)c1ccc2c(n1)c(C)ccc2 1P019ZPE [1,1,0,0,0,0|2,0,0]=4 625 B15R2.61353 OC(=O)c1ccc2c(n1)c(Cl)ccc2 1P00GU9Q [1,1,0,0,0,0|2,0,0]=4 626 B15R2.61353 OC(=O)c1ccc2c(n1)c(F)ccc2 1P00GW2L [1,1,0,0,0,0|2,0,0]=4 627 B15R2.61353 OC(=O)c1ccc2c(n1)c(O)ccc2 1P001POD [1,1,0,0,0,0|2,0,0]=4 628 B15R2.61353 OC(=O)c1cnc2c(c1)c(Br)ccc2 1P001H99 [1,1,0,0,0,0|1,0,0]=3 629 B15R2.61353 OC(=O)c1cnc2c(c1)c(Br)cnc2 1P01XCMS [1,1,0,0,0,0|2,0,0]=4 630 B15R2.61353 OC(=O)c1cnc2c(c1)c(Cl)ccc2 1P001H8Y [1,1,0,0,0,0|1,0,0]=3 631 B15R2.61353 OC(=O)c1cnc2c(c1)c(F)ccc2 1P001H8X [1,1,0,0,0,0|1,0,0]=3 632 B15R2.61353 OC(=O)c1cnc2c(c1)c(N)ccc2 1P001H8V [1,1,0,0,0,0|1,0,0]=3 633 B15R2.61353 OC(=O)c1ncc2c(c1)c(Br)ccc2 1P01AFUQ [1,1,0,0,0,0|2,0,0]=4 634 B15R2.61353 OC(=O)c1ncc2c(c1)c(Cl)ccc2 1P0018PI [1,1,0,0,0,0|2,0,0]=4 635 B15R2.61353 OC(=O)c1ncc2c(c1)c(N)ccc2 1P00GA5I [1,1,0,0,0,0|2,0,0]=4 636 B15R2.61353 OC(=O)c1nnc2c(c1)c(Br)ccc2 1P0290Y7 [1,1,0,0,0,0|2,0,0]=4 637 B15R2.117 COc1nc2ccccc2cc1C=O 1P001BOV [1,1,0,0,0,0|1,0,1]=4 638 B15R2.117 O=Cc1cc2ccccc2cc1C=O 1P003G1M [1,1,0,0,0,0|1,0,0]=3 639 B15R2.117 O=Cc1cc2ccccc2cc1OC 1P00EC4N [1,1,0,0,0,0|1,0,1]=4 640 B15R2.274 N#Cc1c(=O)oc2c(c1C)cccc2 1P002OW1 [1,1,0,0,0,0|1,0,1]=4 641 B15R2.274 O=Cc1c(=O)[nH]c2c(c1Cl)cccc2 1P0002P2 [1,1,0,0,0,0|1,0,0]=3 642 B15R2.274 O=Cc1c(=O)oc2c(c1Cl)cccc2 1P003LKT [1,1,0,0,0,0|0,0,0]=2 643 B15R2.274 O=Cc1c(N)oc2c(c1=O)cccc2 1P003GWK [1,1,0,0,0,0|1,0,0]=3 644 B15R2.888 ON=Cc1cc2ccccc2[nH]c1=O 1P019MLU [1,1,0,0,0,0|1,0,0]=3 645 B15R2.888 ON=Cc1cc2ccccc2nc1Cl 1P006HL2 [1,1,0,0,0,0|2,0,0]=4 646 B15R2.1754 N#Cc1cc2ccc(cc2oc1=O)O 1P002FCQ [1,1,0,0,0,0|1,0,1]=4 647 B15R2.1754 O=Cc1cc2ccc(cc2[nH]c1=O)Cl 1P005D5B [1,1,0,0,0,0|1,0,0]=3 648 B15R2.1754 O=Cc1cc2ccc(cc2[nH]c1=O)F 1P019U41 [1,1,0,0,0,0|1,0,0]=3 649 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)Br 1P009BZG [1,1,0,0,0,0|2,0,0]=4 650 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)C 1P00FB5D [1,1,0,0,0,0|2,0,0]=4 651 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)Cl 1P008R3Y [1,1,0,0,0,0|2,0,0]=4 652 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)F 1P008Q6O [1,1,0,0,0,0|2,0,0]=4 653 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)I 1P021M9B [1,1,0,0,0,0|2,0,0]=4 654 B15R2.1754 O=Cc1cc2ccc(cc2nc1O)C 1P008NP2 [1,1,0,0,0,0|1,0,1]=4 655 B15R2.1754 O=Cc1cc2ccc(cc2oc1=O)O 1P00BK7G [1,1,0,0,0,0|0,0,0]=2 656 B15R2.1754 OCc1cc2ccc(cc2[nH]c1=O)F 1P01DXNC [1,1,0,0,0,0|1,0,1]=4 657 B15R2.1824 Brc1cc2cc(C#N)c(=O)oc2cc1 1P005W2I [1,1,0,0,0,0|1,0,1]=4 658 B15R2.1824 O=Cc1cc2cc(Br)ccc2nc1Cl 1P005N56 [1,1,0,0,0,0|2,0,0]=4 659 B15R2.1824 O=Cc1cc2cc(C)ccc2[nH]c1=O 1P0004TM [1,1,0,0,0,0|1,0,0]=3 660 B15R2.1824 O=Cc1cc2cc(C)ccc2nc1Cl 1P003HHD [1,1,0,0,0,0|2,0,0]=4 661 B15R2.1824 O=Cc1cc2cc(Cl)ccc2[nH]c1=O 1P005N55 [1,1,0,0,0,0|1,0,0]=3 662 B15R2.1824 O=Cc1cc2cc(Cl)ccc2nc1Cl 1P008R3X [1,1,0,0,0,0|2,0,0]=4 663 B15R2.1824 O=Cc1cc2cc(F)ccc2nc1Cl 1P005S5M [1,1,0,0,0,0|2,0,0]=4 664 B15R2.2039 O=Cc1cc2cccc(c2[nH]c1=O)C 1P0004TL [1,1,0,0,0,0|1,0,0]=3 665 B15R2.2039 O=Cc1cc2cccc(c2nc1Cl)C 1P003HHX [1,1,0,0,0,0|2,0,0]=4 666 B15R2.2039 O=Cc1cc2cccc(c2nc1Cl)Cl 1P001KU8 [1,1,0,0,0,0|2,0,0]=4 667 B15R2.21243 O=Cc1cc2ccccc2n(c1=O)C 1P005QRZ [1,1,0,0,0,0|1,0,0]=3 668 B15R2.21243 OCc1cc2ccccc2n(c1=O)C 1P000F4P [1,1,0,0,0,0|1,0,1]=4 669 B15R2.1592 COC(=O)C1=Cc2c(C1C)cccc2 1P01BC1K [0,1,0,0,1,0|1,0,1]=4 670 B15R2.1592 COC(=O)C1Cc2c(C1=O)cccc2 1P002M4Q [0,1,0,0,1,0|0,0,2]=4 671 B15R2.1592 COC(=O)c1[nH]c2c(c1Br)cccc2 1P003S88 [0,1,0,0,1,0|2,0,0]=4 672 B15R2.1592 COC(=O)c1[nH]c2c(c1Cl)cccc2 1P00C1SO [0,1,0,0,1,0|2,0,0]=4 673 B15R2.1592 COC(=O)c1[nH]c2c(c1I)cccc2 1P0039UF [0,1,0,0,1,0|2,0,0]=4 674 B15R2.1592 COC(=O)c1[nH]c2c(c1O)cccc2 1P00C127 [0,1,0,0,1,0|1,0,1]=4 675 B15R2.1592 COC(=O)c1cc2c(n1C)cccc2 1P00CKS5 [0,1,0,0,1,0|2,0,0]=4 676 B15R2.1592 COC(=O)c1oc2c(c1C)cccc2 1P002JM9 [0,1,0,0,1,0|2,0,0]=4 677 B15R2.1592 COC(=O)c1oc2c(c1N)cccc2 1P00EBUK [0,1,0,0,1,0|2,0,0]=4 678 B15R2.1592 COC(=O)c1sc2c(c1C)cccc2 1P003S9Q [0,1,0,0,1,0|2,0,0]=4 679 B15R2.1592 COC(=O)c1sc2c(c1Cl)cccc2 1P003S8H [0,1,0,0,1,0|2,0,0]=4 680 B15R2.1592 COC(=O)c1sc2c(c1I)cccc2 1P00FEKA [0,1,0,0,1,0|2,0,0]=4 681 B15R2.1592 COC(=O)c1sc2c(c1N)cccc2 1P00C8PB [0,1,0,0,1,0|2,0,0]=4 682 B15R2.1592 COC(=O)c1sc2c(c1O)cccc2 1P000WFX [0,1,0,0,1,0|1,0,1]=4 683 B15R2.4190 CCc1c([nH]c2c1cccc2)C(=O)O 1P00GWE1 [0,1,0,0,1,0|2,0,0]=4 684 B15R2.4190 CCc1c(sc2c1cccc2)C(=O)O 1P01DWR8 [0,1,0,0,1,0|2,0,0]=4 685 B15R2.4190 CCn1c(cc2c1cccc2)C(=O)O 1P00BJJU [0,1,0,0,1,0|2,0,0]=4 686 B15R2.4190 COc1c(oc2c1cccc2)C(=O)O 1P00HASK [0,1,0,0,1,0|1,0,1]=4 687 B15R2.4190 N#Cc1c([nH]c2c1cccc2)C(=O)O 1P01BSBH [0,1,0,0,1,0|2,0,0]=4 688 B15R2.4190 NCc1c(oc2c1cccc2)C(=O)O 1P01C59L [0,1,0,0,1,0|2,0,0]=4 689 B15R2.4190 NCc1c(sc2c1cccc2)C(=O)O 1P028AFG [0,1,0,0,1,0|2,0,0]=4 690 B15R2.4190 O=Cc1c([nH]c2c1cccc2)C(=O)O 1P00BD38 [0,1,0,0,1,0|1,0,0]=3 691 B15R2.4190 O=Cc1c(nn2c1cccc2)C(=O)O 1P0290NV [0,1,0,0,1,0|2,0,0]=4 692 B15R2.4190 O=Cc1c(oc2c1cccc2)C(=O)O 1P01BKOK [0,1,0,0,1,0|1,0,0]=3 693 B15R2.4190 OCc1c(oc2c1cccc2)C(=O)O 1P01A9NI [0,1,0,0,1,0|1,0,1]=4 694 B15R2.7203 Brc1ccc2c(c1)c(C)c([nH]2)C(=O)O 1P005GQ3 [0,1,0,0,1,0|2,0,0]=4 695 B15R2.7203 Brc1ccc2c(c1)c(C)c(o2)C(=O)O 1P00DR97 [0,1,0,0,1,0|2,0,0]=4 696 B15R2.7203 Brc1ccc2c(c1)c(Cl)c([nH]2)C(=O)O 1P019N8U [0,1,0,0,1,0|2,0,0]=4 697 B15R2.7203 Brc1ccc2c(c1)n(C)c(c2)C(=O)O 1P00H2EB [0,1,0,0,1,0|2,0,0]=4 698 B15R2.7203 Cc1ccc2c(c1)c(C)c([nH]2)C(=O)O 1P001UVJ [0,1,0,0,1,0|2,0,0]=4 699 B15R2.7203 Cc1ccc2c(c1)c(C)c(o2)C(=O)O 1P001YCU [0,1,0,0,1,0|2,0,0]=4 700 B15R2.7203 Cc1ccc2c(c1)c(C)c(s2)C(=O)O 1P01BFBJ [0,1,0,0,1,0|2,0,0]=4 701 B15R2.7203 Cc1ccc2c(c1)c(Cl)c([nH]2)C(=O)O 1P019N9C [0,1,0,0,1,0|2,0,0]=4 702 B15R2.7203 Cc1ccc2c(c1)n(C)c(c2)C(=O)O 1P003XKK [0,1,0,0,1,0|2,0,0]=4 703 B15R2.7203 Clc1ccc2c(c1)c(C)c([nH]2)C(=O)O 1P001UVH [0,1,0,0,1,0|2,0,0]=4 704 B15R2.7203 Clc1ccc2c(c1)c(C)c(o2)C(=O)O 1P0008W6 [0,1,0,0,1,0|2,0,0]=4 705 B15R2.7203 Clc1ccc2c(c1)c(C)c(s2)C(=O)O 1P00DA37 [0,1,0,0,1,0|2,0,0]=4 706 B15R2.7203 Clc1ccc2c(c1)c(Cl)c([nH]2)C(=O)O 1P00JBIY [0,1,0,0,1,0|2,0,0]=4 707 B15R2.7203 Clc1ccc2c(c1)n(C)c(c2)C(=O)O 1P00FDGS [0,1,0,0,1,0|2,0,0]=4 708 B15R2.7203 Fc1ccc2c(c1)c(C)c([nH]2)C(=O)O 1P001UVI [0,1,0,0,1,0|2,0,0]=4 709 B15R2.7203 Fc1ccc2c(c1)c(C)c(o2)C(=O)O 1P0051PC [0,1,0,0,1,0|2,0,0]=4 710 B15R2.7203 Fc1ccc2c(c1)c(C)c(s2)C(=O)O 1P019X99 [0,1,0,0,1,0|2,0,0]=4 711 B15R2.7203 Fc1ccc2c(c1)c(Cl)c([nH]2)C(=O)O 1P019N8V [0,1,0,0,1,0|2,0,0]=4 712 B15R2.7203 Fc1ccc2c(c1)c(F)c([nH]2)C(=O)O 1P01DW3S [0,1,0,0,1,0|2,0,0]=4 713 B15R2.7203 Fc1ccc2c(c1)n(C)c(c2)C(=O)O 1P00IG4E [0,1,0,0,1,0|2,0,0]=4 714 B15R2.7203 Ic1ccc2c(c1)c(C)c(o2)C(=O)O 1P01A8NV [0,1,0,0,1,0|2,0,0]=4 715 B15R2.7203 Oc1ccc2c(c1)n(C)c(c2)C(=O)O 1P01E55W [0,1,0,0,1,0|2,0,0]=4 716 B15R2.9921 CC(=O)N1C(=O)c2c(C1=O)cccc2 1P002B2I [0,1,0,0,1,0|2,0,0]=4 717 B15R2.9921 OC(=O)c1c(Br)c2c(n1C)cccc2 1P00DJFS [0,1,0,0,1,0|2,0,0]=4 718 B15R2.9921 OC(=O)c1c(C)c2c(n1C)cccc2 1P002A83 [0,1,0,0,1,0|2,0,0]=4 719 B15R2.9921 OC(=O)c1c(Cl)c2c(n1C)cccc2 1P019NHL [0,1,0,0,1,0|2,0,0]=4 720 B15R2.13463 OC(=O)c1[nH]c2c(c1C)cccc2C 1P01DXCJ [0,1,0,0,1,0|2,0,0]=4 721 B15R2.13463 OC(=O)c1[nH]c2c(c1C)cccc2Cl 1P00ABOL [0,1,0,0,1,0|2,0,0]=4 722 B15R2.13463 OC(=O)c1[nH]c2c(c1F)cccc2F 1P01ELKY [0,1,0,0,1,0|2,0,0]=4 723 B15R2.13463 OC(=O)c1cc2c(n1C)cccc2Br 1P00H4HH [0,1,0,0,1,0|2,0,0]=4 724 B15R2.13463 OC(=O)c1cc2c(n1C)cccc2C 1P00C2LW [0,1,0,0,1,0|2,0,0]=4 725 B15R2.13463 OC(=O)c1cc2c(n1C)cccc2Cl 1P006Y5A [0,1,0,0,1,0|2,0,0]=4 726 B15R2.13463 OC(=O)c1cc2c(n1C)cccc2O 1P028HUZ [0,1,0,0,1,0|2,0,0]=4 727 B15R2.13463 OC(=O)c1oc2c(c1C)cccc2Br 1P01A6G6 [0,1,0,0,1,0|2,0,0]=4 728 B15R2.13463 OC(=O)c1oc2c(c1C)cccc2C 1P00AQ7I [0,1,0,0,1,0|2,0,0]=4 729 B15R2.13463 OC(=O)c1oc2c(c1C)cccc2Cl 1P00CRQS [0,1,0,0,1,0|2,0,0]=4 730 B15R2.13463 OC(=O)c1oc2c(c1C)cccc2F 1P00G4L0 [0,1,0,0,1,0|2,0,0]=4 731 B15R2.13463 OC(=O)c1sc2c(c1C)cccc2Br 1P0249DX [0,1,0,0,1,0|2,0,0]=4 732 B15R2.13463 OC(=O)c1sc2c(c1C)cccc2Cl 1P00ID2Y [0,1,0,0,1,0|2,0,0]=4 733 B15R2.13463 OC(=O)c1sc2c(c1N)cccc2Br 1P01BS91 [0,1,0,0,1,0|2,0,0]=4 734 B15R2.13463 OC(=O)c1sc2c(c1O)cccc2Cl 1P00IGLD [0,1,0,0,1,0|1,0,1]=4 735 B15R2.13629 OC(=O)c1cc2c(n1C)c(Br)ccc2 1P028336 [0,1,0,0,1,0|2,0,0]=4 736 B15R2.13629 OC(=O)c1cc2c(n1C)c(C)ccc2 1P004OPG [0,1,0,0,1,0|2,0,0]=4 737 B15R2.13629 OC(=O)c1cc2c(n1C)c(O)ccc2 1P0285RC [0,1,0,0,1,0|2,0,0]=4 738 B15R2.13629 OC(=O)c1oc2c(c1C)c(O)ccc2 1P01KXZ2 [0,1,0,0,1,0|2,0,0]=4 739 B15R2.13629 OC(=O)c1sc2c(c1C)c(Cl)ccc2 1P00IC2I [0,1,0,0,1,0|2,0,0]=4 740 B15R2.13629 OC(=O)c1sc2c(c1C)c(F)ccc2 1P019ORT [0,1,0,0,1,0|2,0,0]=4 741 B15R2.13629 OC(=O)c1sc2c(c1Cl)c(Br)ccc2 1P00H0TJ [0,1,0,0,1,0|2,0,0]=4 742 B15R2.13629 OC(=O)c1sc2c(c1Cl)c(C)ccc2 1P00H3B8 [0,1,0,0,1,0|2,0,0]=4 743 B15R2.13629 OC(=O)c1sc2c(c1Cl)c(Cl)ccc2 1P00I7AL [0,1,0,0,1,0|2,0,0]=4 744 B15R2.13629 OC(=O)c1sc2c(c1Cl)c(F)ccc2 1P00EESS [0,1,0,0,1,0|2,0,0]=4 745 B15R2.13629 OC(=O)c1sc2c(c1N)c(F)ccc2 1P01JL8S [0,1,0,0,1,0|2,0,0]=4 746 B15R2.14758 Brc1ccc2c(c1)[nH]c(c2F)C(=O)O 1P01ELUH [0,1,0,0,1,0|2,0,0]=4 747 B15R2.14758 Brc1ccc2c(c1)sc(c2C)C(=O)O 1P0281EU [0,1,0,0,1,0|2,0,0]=4 748 B15R2.14758 Brc1ccc2c(c1)sc(c2Cl)C(=O)O 1P00DB0F [0,1,0,0,1,0|2,0,0]=4 749 B15R2.14758 Brc1ccn2c(c1)cc(c2Cl)C(=O)O 1P028T5Z [0,1,0,0,1,0|2,0,0]=4 750 B15R2.14758 Cc1ccc2c(c1)[nH]c(c2C)C(=O)O 1P01DZ31 [0,1,0,0,1,0|2,0,0]=4 751 B15R2.14758 Cc1ccc2c(c1)cc(n2C)C(=O)O 1P00C2G8 [0,1,0,0,1,0|2,0,0]=4 752 B15R2.14758 Cc1ccc2c(c1)oc(c2C)C(=O)O 1P001YE3 [0,1,0,0,1,0|2,0,0]=4 753 B15R2.14758 Cc1ccc2c(c1)sc(c2Cl)C(=O)O 1P003JQQ [0,1,0,0,1,0|2,0,0]=4 754 B15R2.14758 Clc1ccc2c(c1)cc(n2C)C(=O)O 1P00EBAJ [0,1,0,0,1,0|2,0,0]=4 755 B15R2.14758 Clc1ccc2c(c1)oc(c2C)C(=O)O 1P027TOQ [0,1,0,0,1,0|2,0,0]=4 756 B15R2.14758 Clc1ccc2c(c1)sc(c2Cl)C(=O)O 1P00CJRJ [0,1,0,0,1,0|2,0,0]=4 757 B15R2.14758 Clc1ccc2c(c1)sc(c2O)C(=O)O 1P001BCZ [0,1,0,0,1,0|1,0,1]=4 758 B15R2.14758 Fc1ccc2c(c1)[nH]c(c2C)C(=O)O 1P01DVMX [0,1,0,0,1,0|2,0,0]=4 759 B15R2.14758 Fc1ccc2c(c1)cc(n2C)C(=O)O 1P001XYP [0,1,0,0,1,0|2,0,0]=4 760 B15R2.14758 Fc1ccc2c(c1)sc(c2C)C(=O)O 1P00IEGY [0,1,0,0,1,0|2,0,0]=4 761 B15R2.14758 Fc1ccc2c(c1)sc(c2Cl)C(=O)O 1P003JQM [0,1,0,0,1,0|2,0,0]=4 762 B15R2.381 Brc1ccc2c(c1)[nH]c(c2C(=O)O)C 1P000R9A [0,1,0,0,1,0|2,0,0]=4 763 B15R2.381 Clc1ccc2c(n1)oc(c2C(=O)O)C 1P02840L [0,1,0,0,1,0|2,0,0]=4 764 B15R2.381 Oc1ccc2c(c1)oc(c2C(=O)O)C 1P0036TM [0,1,0,0,1,0|1,0,0]=3 765 B15R2.1853 CCc1[nH]c2c(c1C(=O)O)cccc2 1P027XSE [0,1,0,0,1,0|2,0,0]=4 766 B15R2.1853 CCc1oc2c(c1C(=O)O)cccc2 1P01A387 [0,1,0,0,1,0|1,0,0]=3 767 B15R2.1853 O=Cc1oc2c(c1C(=O)O)cccc2 1P01EISV [0,1,0,0,1,0|0,0,0]=2 768 B15R2.7204 Brc1ccc2c(c1)c(C(=O)O)c([nH]2)C 1P00HBLD [0,1,0,0,1,0|2,0,0]=4 769 B15R2.7204 Brc1ccc2c(c1)c(C(=O)O)c(s2)C 1P028XV6 [0,1,0,0,1,0|1,1,0]=4 770 B15R2.7204 Cc1ccc2c(c1)c(C(=O)O)c(s2)C 1P027XSG [0,1,0,0,1,0|1,1,0]=4 771 B15R2.7204 Clc1ccc2c(c1)c(C(=O)O)c([nH]2)C 1P0046N9 [0,1,0,0,1,0|2,0,0]=4 772 B15R2.7204 Clc1ccc2c(c1)c(C(=O)O)c(s2)C 1P028NVQ [0,1,0,0,1,0|1,1,0]=4 773 B15R2.7204 Fc1ccc2c(c1)c(C(=O)O)c([nH]2)C 1P0067SP [0,1,0,0,1,0|2,0,0]=4 774 B15R2.7204 Fc1ccc2c(c1)c(C(=O)O)c(s2)C 1P027ZOZ [0,1,0,0,1,0|1,1,0]=4 775 B15R2.7204 Oc1ccc2c(c1)c(C(=O)C)c(o2)C 1P007LIL [0,1,0,0,1,0|2,0,0]=4 776 B15R2.7204 Oc1ccc2c(c1)c(C(=O)O)c([nH]2)C 1P005OPD [0,1,0,0,1,0|2,0,0]=4 777 B15R2.7204 Oc1ccc2c(c1)c(C(=O)O)c(o2)C 1P01XKIP [0,1,0,0,1,0|1,0,0]=3 778 B15R2.7204 Oc1ccc2c(c1)c(C(=O)O)c(s2)C 1P029374 [0,1,0,0,1,0|1,1,0]=4 779 B15R2.13460 OC(=O)c1c(C)sc2c1cccc2Br 1P0293AZ [0,1,0,0,1,0|1,1,0]=4 780 B15R2.19393 COC(=O)C1C(=O)Cc2c1cccc2 1P003S5O [0,1,0,0,1,0|1,0,1]=4 781 B15R2.19393 COC(=O)C1C(=O)Nc2c1cccc2 1P01CAON [0,1,0,0,1,0|1,0,1]=4 782 B15R2.19393 COC(=O)c1c(C)[nH]c2c1cccc2 1P00ECVR [0,1,0,0,1,0|2,0,0]=4 783 B15R2.19393 COC(=O)c1c(C)oc2c1cccc2 1P01ALVF [0,1,0,0,1,0|1,0,0]=3 784 B15R2.19393 COC(=O)c1c(N)sc2c1cccc2 1P01A85U [0,1,0,0,1,0|1,1,0]=4 785 B15R2.24965 O=C1c2ccccc2N(C1=O)C(=O)O 1P006XAG [0,1,0,0,1,0|2,0,0]=4 786 B15R2.24965 OC(=O)C1=C(Cl)C(=O)c2c1cccc2 1P01BCIX [0,1,0,0,1,0|2,0,0]=4 787 B15R2.24965 OC(=O)c1c(C)n(c2c1cccc2)C 1P0029GG [0,1,0,0,1,0|2,0,0]=4 788 B17R2.5005 OC(=O)C(c1cc2ccccc2nc1O)C 1P028T7K [0,1,0,0,0,1|1,0,1]=4 789 B17R2.39114 OC(=O)CN1C(=O)Cc2c(C1=O)cccc2 1P00DW32 [0,1,0,0,0,1|2,0,0]=4 790 B17R2.39114 OC(=O)Cc1c(=O)[nH]c2c(c1C)cccc2 1P028AOV [0,1,0,0,0,1|1,0,0]=3 791 B17R2.39114 OC(=O)Cc1c(C)nc2c(c1C)cccc2 1P00IIKM [0,1,0,0,0,1|2,0,0]=4 792 B17R2.39114 OC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2 1P005KB4 [0,1,0,0,0,1|2,0,0]=4 793 B17R2.57536 COC(=O)Cc1cc2ccccc2nc1O 1P01BJWC [0,1,0,0,0,1|1,0,1]=4 794 B17R2.1254 COC(=O)c1cc2ccccc2cc1OC 1P000UV9 [0,2,0,0,0,0|1,0,1]=4 795 B17R2.4716 CCOc1cc2ccccc2cc1C(=O)O 1P00DTVI [0,2,0,0,0,0|1,0,1]=4 796 B17R2.45126 OC(=O)c1cc2ccccc2cc1C(=O)O 1P003G1O [0,2,0,0,0,0|1,0,0]=3 797 B17R2.45126 OC(=O)c1cc2ccccc2nc1C(F)F 1P028P0H [0,2,0,0,0,0|2,0,0]=4 798 B17R2.45126 OC(=O)c1nc2ccccc2cc1C(=O)O 1P003G1U [0,2,0,0,0,0|1,0,0]=3 799 B17R2.45126 OC(=O)c1nc2ccccc2nc1C(=O)O 1P00FHIY [0,2,0,0,0,0|2,0,0]=4 800 B17R2.64657 CCc1nc2ccccc2c(c1C(=O)O)C 1P019OWF [0,2,0,0,0,0|2,0,0]=4 801 B17R2.70983 COc1cc2c(cc1C(=O)O)cccc2O 1P00HTNU [0,2,0,0,0,0|1,0,1]=4 802 B17R2.39115 O=c1oc2ccccc2c(c1S(=O)(=O)Cl)Cl 1P01B91X [0,2,0,0,0,0|1,0,1]=4 803 B17R2.38847 Brc1ccc2c(c1)c(C)c(c(=O)o2)C(=O)O 1P019ZKE [0,2,0,0,0,0|0,0,0]=2 804 B17R2.38847 Brc1ccc2c(c1)c(C)c(c(n2)C)C(=O)O 1P027WDP [0,2,0,0,0,0|2,0,0]=4 805 B17R2.38847 Oc1ccc2c(c1)c(C)c(c(=O)o2)C(=O)O 1P01A0SB [0,2,0,0,0,0|0,0,0]=2 806 B17R2.58574 COC(=O)c1c(C)[nH]c2c(c1=N)cccc2 1P01DKJR [0,2,0,0,0,0|2,0,0]=4 807 B17R2.58574 COC(=O)c1c(S)nc2c(c1O)cccc2 1P019UMM [0,2,0,0,0,0|1,1,0]=4 808 B17R2.58574 NNC(=O)c1c(=O)[nH]c2c(c1O)cccc2 1P01C54H [0,2,0,0,0,0|2,0,0]=4 809 B17R2.155690 OC(=O)c1c(O)c2ccccc2n(c1=O)C 1P00F226 [0,2,0,0,0,0|1,0,0]=3 810 B17R2.266198 Brc1ccc2c(c1)nc(c(c2C)C(=O)O)C 1P027Y7I [0,2,0,0,0,0|2,0,0]=4 811 B17R2.266198 Fc1ccc2c(c1)oc(=O)c(c2C)C(=O)O 1P01A065 [0,2,0,0,0,0|0,0,0]=2 812 B17R2.58215 COC(=O)c1cc2ccc(cc2nc1C)Br 1P0293L6 [0,2,0,0,0,0|2,0,0]=4 813 B17R2.58215 COC(=O)c1cc2ccc(cc2nc1Cl)Br 1P021UJ7 [0,2,0,0,0,0|2,0,0]=4 814 B17R2.64947 COc1ccc2c(c1)nc(c(c2)C(=O)O)C 1P00D93O [0,2,0,0,0,0|2,0,0]=4 815 B17R2.64947 COc1ccc2c(c1)oc(=O)c(c2)C(=O)O 1P00293W [0,2,0,0,0,0|0,0,0]=2 816 B17R2.78303 Clc1cc2cc(C(=O)O)c(=O)oc2cc1O 1P00AMBX [0,2,0,0,0,0|0,0,0]=2 817 B17R2.78303 OC(=O)c1nc2cc(C)c(cc2[nH]c1=O)C 1P00HBLO [0,2,0,0,0,0|2,0,0]=4 818 B17R2.78303 Oc1cc2cc(C(=O)O)c(=O)oc2cc1O 1P003NHT [0,2,0,0,0,0|0,0,0]=2 819 B17R2.256806 OC(=O)c1cc2ccc(c(c2[nH]c1=O)Cl)Cl 1P01EKSM [0,2,0,0,0,0|1,0,0]=3 820 B17R2.256806 OC(=O)c1cc2ccc(c(c2nc1C)C)Br 1P0093YD [0,2,0,0,0,0|2,0,0]=4 821 B17R2.256806 OC(=O)c1cc2ccc(c(c2nc1C)C)C 1P00GTMD [0,2,0,0,0,0|2,0,0]=4 822 B17R2.256806 OC(=O)c1cc2ccc(c(c2nc1C)C)Cl 1P00IJ0X [0,2,0,0,0,0|2,0,0]=4 823 B17R2.925886 Clc1cc(Cl)c2c(c1)nc(c(c2)C(=O)O)C 1P00IJ1E [0,2,0,0,0,0|2,0,0]=4 824 B17R2.925886 Fc1cc(F)c2c(c1)[nH]c(=O)c(c2)C(=O)O 1P00IN6L [0,2,0,0,0,0|1,0,0]=3 825 B17R2.58255 COC(=O)c1cc2cc(Br)ccc2cc1O 1P01KKX8 [0,2,0,0,0,0|1,0,1]=4 826 B17R2.58255 COC(=O)c1cc2cc(Cl)ccc2nc1Cl 1P01KZH6 [0,2,0,0,0,0|2,0,0]=4 827 B17R2.58255 COC(=O)c1cc2cc(F)ccc2nc1Cl 1P01C7NL [0,2,0,0,0,0|2,0,0]=4 828 B17R2.64948 CCc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P00GTM9 [0,2,0,0,0,0|2,0,0]=4 829 B17R2.64948 COc1ccc2c(c1)cc(c(=O)o2)C(=O)O 1P00I7L0 [0,2,0,0,0,0|0,0,0]=2 830 B17R2.64948 COc1ccc2c(c1)cc(c(c2)O)C(=O)O 1P003K0S [0,2,0,0,0,0|1,0,1]=4 831 B17R2.64948 COc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P008C5P [0,2,0,0,0,0|2,0,0]=4 832 B17R2.64948 COc1ccc2c(c1)cc(c(n2)C)C(=O)O 1P01EKQX [0,2,0,0,0,0|2,0,0]=4 833 B17R2.64948 COc1ccc2c(c1)cc(c(n2)Cl)C(=O)O 1P00JMCL [0,2,0,0,0,0|2,0,0]=4 834 B17R2.64948 COc1ccc2c(c1)cc(c(n2)O)C(=O)O 1P007GOY [0,2,0,0,0,0|1,0,1]=4 835 B17R2.880639 Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)O 1P003NI2 [0,2,0,0,0,0|0,0,0]=2 836 B17R2.880639 Brc1cc(Br)c2c(c1)cc(c(n2)C)C(=O)O 1P028D2Y [0,2,0,0,0,0|2,0,0]=4 837 B17R2.880639 Clc1cc(Cl)c2c(c1)cc(c(=O)o2)C(=O)C 1P00C2A1 [0,2,0,0,0,0|1,0,0]=3 838 B17R2.912270 Brc1ccc2c(c1)cc(c(c2Br)O)C(=O)O 1P003E7T [0,2,0,0,0,0|1,0,1]=4 839 B17R2.50008 CCOC(=O)c1cc2ccccc2[nH]c1=O 1P004XCJ [0,2,0,0,0,0|1,0,0]=3 840 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1I 1P019NOA [0,2,0,0,0,0|2,0,0]=4 841 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1N 1P01BGFY [0,2,0,0,0,0|2,0,0]=4 842 B17R2.50008 CCOC(=O)c1cc2ccccc2cc1O 1P005GPY [0,2,0,0,0,0|1,0,1]=4 843 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1C 1P001Q84 [0,2,0,0,0,0|2,0,0]=4 844 B17R2.50008 CCOC(=O)c1cc2ccccc2nc1N 1P00C64L [0,2,0,0,0,0|2,0,0]=4 845 B17R2.50008 CCOC(=O)c1cc2ccccc2oc1=O 1P003QVB [0,2,0,0,0,0|0,0,0]=2 846 B17R2.50008 CCOC(=O)c1cc2cccnc2[nH]c1=O 1P00I9PM [0,2,0,0,0,0|2,0,0]=4 847 B17R2.50008 CCOC(=O)c1cc2cnccc2[nH]c1=O 1P01XC2T [0,2,0,0,0,0|2,0,0]=4 848 B17R2.50008 CCOC(=O)c1nc2ccccc2[nH]c1=O 1P003QP4 [0,2,0,0,0,0|2,0,0]=4 849 B17R2.58395 COC(=O)c1cc2cccc(c2cc1O)O 1P007T8M [0,2,0,0,0,0|1,0,1]=4 850 B17R2.16326 O=Cc1c(O)c(cc2c1cccc2)C(=O)O 1P00CZ5Y [0,2,0,0,0,0|1,0,1]=4 851 B17R2.911113 OC(=O)c1cc2c(Cl)ccc(c2nc1C)C 1P00IJ1G [0,2,0,0,0,0|2,0,0]=4 852 B17R2.392577 CCc1cccc2c1nc(C)c(c2)C(=O)O 1P00687C [0,2,0,0,0,0|2,0,0]=4 853 B17R2.392577 COc1cccc2c1oc(=O)c(c2)C(=O)C 1P00DB97 [0,2,0,0,0,0|1,0,0]=3 854 B17R2.392577 COc1cccc2c1oc(=O)c(c2)C(=O)O 1P00BD53 [0,2,0,0,0,0|0,0,0]=2 855 B15R2.993 OC(=O)Cc1c(C)oc2c1cccc2 1P01A7GK [0,0,1,1,0,0|1,0,1]=4 856 B15R2.993 OC(=O)Cn1c(=O)oc2c1cccc2 1P009CIK [0,0,1,1,0,0|1,0,1]=4 857 B15R2.1237 OC(=O)C1=Cc2ccccc2OC=C1 1P00GWB4 [0,0,1,1,0,0|1,0,0]=3 858 B15R2.19753 OC(=O)\C=C\c1cccc2c1OCC2 1P00IMO1 [0,0,1,1,0,0|1,0,1]=4 859 B15R2.68122 OC(=O)C=C1CCOc2c1cccc2 1P01BD5Q [0,0,1,1,0,0|1,0,1]=4 860 B15R2.1162 OC(=O)c1c(Br)ccc2c1cccc2 1P00AKZT [0,0,1,1,0,0|2,0,0]=4 861 B15R2.1162 OC(=O)c1c(C)ccc2c1cccc2 1P001PYM [0,0,1,1,0,0|2,0,0]=4 862 B15R2.1162 OC(=O)c1c(C)ncc2c1cccc2 1P01EKPG [0,0,1,1,0,0|2,0,0]=4 863 B15R2.1162 OC(=O)c1c(Cl)ncc2c1cccc2 1P000LER [0,0,1,1,0,0|2,0,0]=4 864 B15R2.1162 OC(=O)c1c(O)ccc2c1cccc2 1P003BP2 [0,0,1,1,0,0|1,0,1]=4 865 B15R2.1162 OC(=O)c1c(O)ncc2c1cccc2 1P027W3Y [0,0,1,1,0,0|1,0,1]=4 866 B17R3.3374 O=C1NC(=O)c2c1cc3ccccc3c2 1P003G1N [0,1,0,1,0,0|2,0,0]=4 867 B17R3.3374 O=C1OC(=O)c2c1cc3ccccc3c2 1P0038XP [0,1,0,1,0,0|1,0,0]=3 868 B17R3.31564 Nc1scc2c1c(=O)oc3c2cccc3 1P0073T7 [0,1,0,1,0,0|1,1,0]=4 869 B13R1.201 OC(=O)C=C(c1ccccc1Cl)C 1P00HAX9 [0,0,1,0,1,0|2,0,0]=4 870 B13R1.201 OC(=O)C=C(c1ccccc1F)C 1P00HCX4 [0,0,1,0,1,0|2,0,0]=4 871 B13R1.201 OC(=O)\C=C(\c1ccccc1C)/C 1P01XKOR [0,0,1,0,1,0|1,0,1]=4 872 B13R1.1111 CC(=C(c1ccccc1)C(=O)O)C 1P01PLX1 [0,0,1,0,1,0|2,0,0]=4 873 B13R1.1111 OC(=O)C(c1ccccc1)C(=O)O 1P002S92 [0,0,1,0,1,0|0,0,1]=3 874 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 1P003416 [1,0,0,0,1,0|2,0,0]=4 875 B13R2.72 CC(=O)c1coc2c1cccc2 1P006K3P [1,0,0,0,1,0|1,0,0]=3 876 B13R2.72 CC(=O)c1csc2c1cccc2 1P003J9M [1,0,0,0,1,0|1,1,0]=4 877 B13R2.72 C[C@@H](c1coc2c1cccc2)O 1P01B720 [1,0,0,0,1,0|1,0,1]=4 878 B13R2.72 C[C@H](c1coc2c1cccc2)O 1P01B6XV [1,0,0,0,1,0|1,0,1]=4 879 B13R2.72 ClC(=O)c1c[nH]c2c1cccc2 1P00E9UV [1,0,0,0,1,0|2,0,0]=4 880 B13R2.72 ClC(=O)c1coc2c1cccc2 1P00849A [1,0,0,0,1,0|1,0,0]=3 881 B13R2.72 NC(=O)c1c[nH]c2c1cccc2 1P007DWY [1,0,0,0,1,0|2,0,0]=4 882 B13R2.72 NC(=O)c1coc2c1cccc2 1P00H6O4 [1,0,0,0,1,0|1,0,0]=3 883 B13R2.72 NC(=S)c1coc2c1cccc2 1P01DVX5 [1,0,0,0,1,0|1,1,0]=4 884 B13R2.72 OB(c1coc2c1cccc2)O 1P003OI8 [1,0,0,0,1,0|1,0,1]=4 885 B13R2.72 OC(=O)C1=CCc2c1cccc2 1P001I8C [1,0,0,0,1,0|1,0,0]=3 886 B13R2.72 OC(=O)C1COc2c1cccc2 1P00C6Q8 [1,0,0,0,1,0|0,0,2]=4 887 B13R2.72 OC(=O)c1c[nH]c2c1cccc2 1P003471 [1,0,0,0,1,0|1,0,0]=3 888 B13R2.72 OC(=O)c1c[nH]c2c1cccn2 1P001P43 [1,0,0,0,1,0|2,0,0]=4 889 B13R2.72 OC(=O)c1c[nH]c2c1ccnc2 1P005RRT [1,0,0,0,1,0|2,0,0]=4 890 B13R2.72 OC(=O)c1c[nH]c2c1ccnc2 1P027W45 [1,0,0,0,1,0|2,0,0]=4 891 B13R2.72 OC(=O)c1c[nH]c2c1cncc2 1P000IWO [1,0,0,0,1,0|2,0,0]=4 892 B13R2.72 OC(=O)c1c[nH]c2c1cncc2 1P027WFG [1,0,0,0,1,0|2,0,0]=4 893 B13R2.72 OC(=O)c1c[nH]c2c1nccc2 1P004VHZ [1,0,0,0,1,0|2,0,0]=4 894 B13R2.72 OC(=O)c1c[nH]c2c1nccc2 1P008G6X [1,0,0,0,1,0|2,0,0]=4 895 B13R2.72 OC(=O)c1ccc2n1cccc2 1P00J1HZ [1,0,0,0,1,0|2,0,0]=4 896 B13R2.72 OC(=O)c1ccn2c1cccc2 1P00H3L3 [1,0,0,0,1,0|2,0,0]=4 897 B13R2.72 OC(=O)c1cnc2n1cccc2 1P003RG6 [1,0,0,0,1,0|2,0,0]=4 898 B13R2.72 OC(=O)c1cnc2n1cccc2 1P01A3SC [1,0,0,0,1,0|2,0,0]=4 899 B13R2.72 OC(=O)c1cnn2c1cccc2 1P001T5R [1,0,0,0,1,0|2,0,0]=4 900 B13R2.72 OC(=O)c1coc2c1cccc2 1P002U29 [1,0,0,0,1,0|0,0,0]=2 901 B13R2.72 OC(=O)c1csc2c1cccc2 1P003EFP [1,0,0,0,1,0|0,1,0]=3 902 B13R2.72 OC(=O)c1csc2c1ccnc2 1P009EGV [1,0,0,0,1,0|1,1,0]=4 903 B13R2.72 OC(=O)c1csc2c1ccnc2 1P027WQO [1,0,0,0,1,0|1,1,0]=4 904 B13R2.72 OC(=O)c1csc2c1cncc2 1P02876R [1,0,0,0,1,0|1,1,0]=4 905 B13R2.72 OC(=O)c1csc2c1cncc2 1P028H00 [1,0,0,0,1,0|1,1,0]=4 906 B13R2.72 OC(=O)c1csc2c1nccc2 1P01ANUT [1,0,0,0,1,0|1,1,0]=4 907 B13R2.72 OC(=O)c1n[nH]c2c1cccc2 1P0035HE [1,0,0,0,1,0|2,0,0]=4 908 B13R2.72 OC(=O)c1noc2c1cccc2 1P002WJR [1,0,0,0,1,0|1,0,0]=3 909 B13R2.72 OC(=O)c1noc2c1cccn2 1P01C3TQ [1,0,0,0,1,0|2,0,0]=4 910 B13R2.72 OC(=O)c1nsc2c1cccc2 1P018SLE [1,0,0,0,1,0|1,1,0]=4 911 B13R2.72 OC(=O)c1onc2c1cccc2 1P003AFH [1,0,0,0,1,0|2,0,0]=4 912 B13R2.72 OC(=O)c1snc2c1cccc2 1P00C837 [1,0,0,0,1,0|2,0,0]=4 913 B13R2.430 OC(=O)c1cc2cc[nH]c2nc1 1P00338S [1,0,0,0,1,0|2,0,0]=4 914 B13R2.430 OC(=O)c1cc2ccoc2nc1 1P0017VQ [1,0,0,0,1,0|2,0,0]=4 915 B13R2.430 OC(=O)c1cc2ccsc2nc1 1P000EOP [1,0,0,0,1,0|2,0,0]=4 916 B13R2.430 OC(=O)c1ccc2c(c1)[nH]cc2 1P0035HM [1,0,0,0,1,0|2,0,0]=4 917 B13R2.430 OC(=O)c1ccc2c(c1)cc[nH]2 1P003RGY [1,0,0,0,1,0|2,0,0]=4 918 B13R2.430 OC(=O)c1ccc2c(c1)cco2 1P003EFO [1,0,0,0,1,0|2,0,0]=4 919 B13R2.430 OC(=O)c1ccc2c(c1)ccs2 1P002AXJ [1,0,0,0,1,0|2,0,0]=4 920 B13R2.430 OC(=O)c1ccc2c(c1)occ2 1P00G5ZS [1,0,0,0,1,0|2,0,0]=4 921 B13R2.430 OC(=O)c1ccc2c(c1)scc2 1P00EKP3 [1,0,0,0,1,0|2,0,0]=4 922 B13R2.430 OC(=O)c1ccn2c(c1)ccc2 1P00HYL8 [1,0,0,0,1,0|2,0,0]=4 923 B13R2.430 OC(=O)c1cnc2c(c1)[nH]cc2 1P008STD [1,0,0,0,1,0|2,0,0]=4 924 B13R2.430 OC(=O)c1cnc2c(c1)occ2 1P0017VO [1,0,0,0,1,0|2,0,0]=4 925 B13R2.430 OC(=O)c1cnc2c(c1)scc2 1P000EOO [1,0,0,0,1,0|2,0,0]=4 926 B13R2.430 OC(=O)c1cnn2c(c1)ccc2 1P027RYN [1,0,0,0,1,0|2,0,0]=4 927 B13R2.435 CC(=O)c1cc2c([nH]1)cccc2 1P00C9SG [1,0,0,0,1,0|2,0,0]=4 928 B13R2.435 CC(=O)c1cc2c(o1)cccc2 1P001VG1 [1,0,0,0,1,0|1,0,0]=3 929 B13R2.435 CC(=O)c1cc2c(o1)ccnc2 1P01B5KS [1,0,0,0,1,0|2,0,0]=4 930 B13R2.435 CC(=O)c1cc2c(s1)cccc2 1P003GS1 [1,0,0,0,1,0|1,1,0]=4 931 B13R2.435 CC(=O)c1cc2n(c1)cccc2 1P00ETO3 [1,0,0,0,1,0|2,0,0]=4 932 B13R2.435 CC(=O)c1nc2c(o1)cccc2 1P0017OM [1,0,0,0,1,0|2,0,0]=4 933 B13R2.435 CC(c1cc2c(o1)cccc2)O 1P005TP6 [1,0,0,0,1,0|1,0,1]=4 934 B13R2.435 C[C@@H](c1cc2c(o1)cccc2)O 1P00CPXP [1,0,0,0,1,0|1,0,1]=4 935 B13R2.435 C[C@H](c1cc2c(o1)cccc2)O 1P019RP9 [1,0,0,0,1,0|1,0,1]=4 936 B13R2.435 ClC(=O)c1cc2c(o1)cccc2 1P00C0JH [1,0,0,0,1,0|1,0,0]=3 937 B13R2.435 ClC(=O)c1cc2c(s1)cccc2 1P003OIA [1,0,0,0,1,0|1,1,0]=4 938 B13R2.435 NC(=N)c1cc2c(o1)cccc2 1P01AL8T [1,0,0,0,1,0|2,0,0]=4 939 B13R2.435 NC(=O)c1cc2c([nH]1)cccc2 1P00ADK0 [1,0,0,0,1,0|2,0,0]=4 940 B13R2.435 NC(=O)c1cc2c(s1)cccc2 1P003V8J [1,0,0,0,1,0|1,1,0]=4 941 B13R2.435 NC(=O)c1nc2c(o1)cccc2 1P00CLGP [1,0,0,0,1,0|2,0,0]=4 942 B13R2.435 NC(=S)c1cc2c(o1)cccc2 1P01AHNI [1,0,0,0,1,0|1,1,0]=4 943 B13R2.435 OB(c1cc2c(o1)cccc2)O 1P003OIS [1,0,0,0,1,0|1,0,1]=4 944 B13R2.435 OC(=O)C1=Cc2c(C1)cccc2 1P003EV3 [1,0,0,0,1,0|0,0,1]=3 945 B13R2.435 OC(=O)C1Cc2c(O1)cccc2 1P002FOD [1,0,0,0,1,0|0,0,2]=4 946 B13R2.435 OC(=O)c1cc2c([nH]1)cccc2 1P001FKR [1,0,0,0,1,0|1,0,0]=3 947 B13R2.435 OC(=O)c1cc2c([nH]1)cccn2 1P00ACTM [1,0,0,0,1,0|2,0,0]=4 948 B13R2.435 OC(=O)c1cc2c([nH]1)ccnc2 1P005DZ5 [1,0,0,0,1,0|2,0,0]=4 949 B13R2.435 OC(=O)c1cc2c([nH]1)ccnc2 1P01C0N9 [1,0,0,0,1,0|2,0,0]=4 950 B13R2.435 OC(=O)c1cc2c([nH]1)cncc2 1P00BDPF [1,0,0,0,1,0|2,0,0]=4 951 B13R2.435 OC(=O)c1cc2c([nH]1)nccc2 1P003EVI [1,0,0,0,1,0|2,0,0]=4 952 B13R2.435 OC(=O)c1cc2c([nH]1)nccc2 1P01C3IY [1,0,0,0,1,0|2,0,0]=4 953 B13R2.435 OC(=O)c1cc2c(o1)cccc2 1P00DE9E [1,0,0,0,1,0|0,0,0]=2 954 B13R2.435 OC(=O)c1cc2c(o1)cccn2 1P008W7T [1,0,0,0,1,0|1,0,0]=3 955 B13R2.435 OC(=O)c1cc2c(o1)ccnc2 1P008UTR [1,0,0,0,1,0|1,0,0]=3 956 B13R2.435 OC(=O)c1cc2c(o1)cncc2 1P008UQV [1,0,0,0,1,0|1,0,0]=3 957 B13R2.435 OC(=O)c1cc2c(o1)nccc2 1P00CA4G [1,0,0,0,1,0|1,0,0]=3 958 B13R2.435 OC(=O)c1cc2c(s1)cccc2 1P003V8K [1,0,0,0,1,0|0,1,0]=3 959 B13R2.435 OC(=O)c1cc2c(s1)cccn2 1P007D2Y [1,0,0,0,1,0|1,1,0]=4 960 B13R2.435 OC(=O)c1cc2c(s1)ccnc2 1P00GWGG [1,0,0,0,1,0|1,1,0]=4 961 B13R2.435 OC(=O)c1cc2c(s1)cncc2 1P0037W0 [1,0,0,0,1,0|1,1,0]=4 962 B13R2.435 OC(=O)c1cc2c(s1)nccc2 1P00EE7T [1,0,0,0,1,0|1,1,0]=4 963 B13R2.435 OC(=O)c1cc2n(c1)cccc2 1P00C8I3 [1,0,0,0,1,0|1,0,0]=3 964 B13R2.435 OC(=O)c1cc2n(n1)cccc2 1P003UIL [1,0,0,0,1,0|2,0,0]=4 965 B13R2.435 OC(=O)c1cn2c(c1)cccn2 1P003ALE [1,0,0,0,1,0|2,0,0]=4 966 B13R2.435 OC(=O)c1nc2c([nH]1)cccc2 1P002VZ0 [1,0,0,0,1,0|2,0,0]=4 967 B13R2.435 OC(=O)c1nc2c(s1)cccc2 1P00I7N4 [1,0,0,0,1,0|1,1,0]=4 968 B13R2.435 OC(=O)c1nc2c(s1)cccc2 1P00J3XA [1,0,0,0,1,0|1,1,0]=4 969 B13R2.435 OC(=O)c1nc2n(c1)cccc2 1P00CLGA [1,0,0,0,1,0|2,0,0]=4 970 B13R2.435 OC(=O)c1nc2n(c1)cccc2 1P00E9QS [1,0,0,0,1,0|2,0,0]=4 971 B13R2.435 [O-]C(=O)c1nc2c(o1)cccc2 1P00J3X9 [1,0,0,0,1,0|1,0,1]=4 972 B13R2.435 [O-][N+](=O)c1cc2c(o1)cccc2 1P00CJJ5 [1,0,0,0,1,0|1,0,1]=4 973 B13R2.45 NC=C1Cc2c(C1=O)cccc2 1P00DIOX [1,0,0,0,1,0|1,0,1]=4 974 B13R2.45 O=CC1=C(Cl)c2c(C1)cccc2 1P01DN6R [1,0,0,0,1,0|1,0,1]=4 975 B13R2.45 O=Cc1[nH]c2c(c1Br)cccc2 1P00H2Y4 [1,0,0,0,1,0|2,0,0]=4 976 B13R2.45 O=Cc1[nH]c2c(c1C)cccc2 1P00D8U6 [1,0,0,0,1,0|2,0,0]=4 977 B13R2.45 O=Cc1[nH]c2c(c1Cl)cccc2 1P007UJZ [1,0,0,0,1,0|2,0,0]=4 978 B13R2.45 O=Cc1cc2c(n1C)cccc2 1P003EXT [1,0,0,0,1,0|2,0,0]=4 979 B13R2.45 O=Cc1oc2c(c1Br)cccc2 1P007B7A [1,0,0,0,1,0|2,0,0]=4 980 B13R2.45 O=Cc1oc2c(c1C)cccc2 1P000QAT [1,0,0,0,1,0|2,0,0]=4 981 B13R2.45 O=Cc1oc2c(c1Cl)cccc2 1P019W9Y [1,0,0,0,1,0|2,0,0]=4 982 B13R2.45 O=Cc1sc2c(c1Br)cccc2 1P0004QY [1,0,0,0,1,0|2,0,0]=4 983 B13R2.45 O=Cc1sc2c(c1C)cccc2 1P003K7A [1,0,0,0,1,0|2,0,0]=4 984 B13R2.45 O=Cc1sc2c(c1Cl)cccc2 1P001CG8 [1,0,0,0,1,0|2,0,0]=4 985 B13R2.45 ON=C1Cc2c(C1=O)cccc2 1P001MXL [1,0,0,0,1,0|1,0,1]=4 986 B13R2.45 [O-]C=C1Cc2c(C1=O)cccc2 1P01A0TS [1,0,0,0,1,0|0,0,2]=4 987 B13R2.135 O=CC1C(=O)Nc2c1cccc2 1P00G7S2 [1,0,0,0,1,0|1,0,1]=4 988 B13R2.135 O=Cc1c(Br)[nH]c2c1cccc2 1P008Y6J [1,0,0,0,1,0|2,0,0]=4 989 B13R2.135 O=Cc1c(Br)sc2c1cccc2 1P0077CO [1,0,0,0,1,0|1,1,0]=4 990 B13R2.135 O=Cc1c(C)[nH]c2c1cccc2 1P003JYL [1,0,0,0,1,0|2,0,0]=4 991 B13R2.135 O=Cc1c(C)oc2c1cccc2 1P00DOM1 [1,0,0,0,1,0|1,0,0]=3 992 B13R2.135 O=Cc1c(C)sc2c1cccc2 1P0030MF [1,0,0,0,1,0|1,1,0]=4 993 B13R2.135 O=Cc1c(Cl)[nH]c2c1cccc2 1P00DF2Y [1,0,0,0,1,0|2,0,0]=4 994 B13R2.135 O=Cc1c(Cl)oc2c1cccc2 1P01A3SF [1,0,0,0,1,0|1,0,0]=3 995 B13R2.135 OCc1c(C)oc2c1cccc2 1P00DONM [1,0,0,0,1,0|1,0,1]=4 996 B13R2.135 O\N=C\1/C(=O)Nc2c1cccc2 1P003RIS [1,0,0,0,1,0|2,0,0]=4 997 B15R1.256 O=C(Nc1ccccc1Br)C=CC(=O)O 1P00CKF2 [0,0,1,0,0,1|2,0,0]=4 998 B15R1.256 O=C(Nc1ccccc1O)C=CC(=O)O 1P01BEJ7 [0,0,1,0,0,1|2,0,0]=4 999 B15R1.3675 CC(C(=O)O)NC(=O)Oc1ccccc1 1P019WK5 [0,0,1,0,0,1|0,0,2]=4 1000 B15R1.3565 OC(=O)C(=Cc1ccccc1)NC(=O)C 1P01EEKS [0,0,1,0,0,1|1,0,0]=3 1001 B15R1.3565 OC(=O)C(Cc1ccccc1)CC(=O)O 1P0034WT [0,0,1,0,0,1|0,0,2]=4 1002 B15R1.3565 OC(=O)[C@@H](Cc1ccccc1)CC(=O)O 1P003D1S [0,0,1,0,0,1|0,0,2]=4 1003 B15R1.3565 OC(=O)[C@H](Cc1ccccc1)CC(=O)O 1P0073FK [0,0,1,0,0,1|0,0,2]=4 1004 B15R1.3565 OC(=O)\C(=C/c1ccccc1)\CC(=O)O 1P00EK8I [0,0,1,0,0,1|0,0,0]=2 1005 B15R1.3565 OC(=O)\C(=C/c1ccccc1)\NC(=O)C 1P01J8M0 [0,0,1,0,0,1|1,0,0]=3 1006 B15R1.3565 OC(=O)\C(=C\c1ccccc1)\CC(=O)O 1P00DK0Q [0,0,1,0,0,1|0,0,0]=2 1007 B15R1.3569 OC(=O)C(C(=O)O)CCc1ccccc1 1P00CAMZ [0,0,1,0,0,1|0,0,2]=4 1008 B15R2.629 OC(=O)CC1Cc2c(C1=O)cccc2 1P005F9H [0,0,0,0,1,1|0,0,2]=4 1009 B15R2.629 OC(=O)CN1Cc2c(C1=O)cccc2 1P00BZGT [0,0,0,0,1,1|1,0,1]=4 1010 B15R2.629 OC(=O)Cc1oc2c(c1C)cccc2 1P01DYYA [0,0,0,0,1,1|2,0,0]=4 1011 B15R2.629 OC(=O)Cc1sc2c(c1C)cccc2 1P001N4G [0,0,0,0,1,1|2,0,0]=4 1012 B15R2.629 OC(=O)Cn1[nH]c2c(c1=O)cccc2 1P00J30Q [0,0,0,0,1,1|2,0,0]=4 1013 B15R2.629 OC(=O)Cn1sc2c(c1=O)cccc2 1P00G98X [0,0,0,0,1,1|2,0,0]=4 1014 B15R2.988 Brc1cc2ccccc2c(c1)C(=O)O 1P00HZMY [0,0,0,0,1,1|2,0,0]=4 1015 B15R2.988 Brc1nc2ccccc2c(c1)C(=O)O 1P001PV6 [0,0,0,0,1,1|2,0,0]=4 1016 B15R2.988 Cc1nc2ccccc2c(c1)C(=O)O 1P00EARR [0,0,0,0,1,1|2,0,0]=4 1017 B15R2.988 Cc1nc2ccccc2c(n1)C(=O)O 1P01DX4B [0,0,0,0,1,1|2,0,0]=4 1018 B15R2.988 Cc1nc2ccccc2c(n1)C(=O)O 1P01FKGI [0,0,0,0,1,1|2,0,0]=4 1019 B15R2.988 Clc1cc2ccccc2c(c1)C(=O)O 1P01AM8H [0,0,0,0,1,1|2,0,0]=4 1020 B15R2.988 Clc1cc2ccccc2c(n1)C(=O)O 1P01DJXE [0,0,0,0,1,1|2,0,0]=4 1021 B15R2.988 Clc1nc2ccccc2c(c1)C(=O)O 1P00D8HL [0,0,0,0,1,1|2,0,0]=4 1022 B15R2.988 Clc1nc2ccccc2c(n1)C(=O)O 1P00IIPS [0,0,0,0,1,1|2,0,0]=4 1023 B15R2.988 Fc1cc2ccccc2c(c1)C(=O)O 1P019S7P [0,0,0,0,1,1|2,0,0]=4 1024 B15R2.988 Ic1cc2ccccc2c(c1)C(=O)O 1P00H0N1 [0,0,0,0,1,1|2,0,0]=4 1025 B15R2.988 Nc1cc2ccccc2c(c1)C(=O)O 1P00CHQX [0,0,0,0,1,1|2,0,0]=4 1026 B15R2.988 Nc1cc2ccccc2c(n1)C(=O)O 1P01XLZL [0,0,0,0,1,1|2,0,0]=4 1027 B15R2.988 Nc1nc2ccccc2c(c1)C(=O)O 1P001QAP [0,0,0,0,1,1|2,0,0]=4 1028 B15R2.988 Nc1nc2ccccc2c(n1)C(=O)O 1P0001U4 [0,0,0,0,1,1|2,0,0]=4 1029 B15R2.988 O=C1Cc2ccccc2C(N1)C(=O)O 1P01BKW8 [0,0,0,0,1,1|1,0,1]=4 1030 B15R2.988 O=C1Nc2ccccc2C(C1)C(=O)O 1P001HNR [0,0,0,0,1,1|1,0,1]=4 1031 B15R2.988 O=c1[nH]c2ccccc2c(c1)C(=O)O 1P001PV5 [0,0,0,0,1,1|1,0,0]=3 1032 B15R2.988 O=c1[nH]c2ccccc2c(c1)C(=O)O 1P00J1WD [0,0,0,0,1,1|1,0,0]=3 1033 B15R2.988 O=c1[nH]c2ccccc2c(n1)C(=O)[O-] 1P0290NQ [0,0,0,0,1,1|1,0,1]=4 1034 B15R2.988 Oc1cc2ccccc2c(c1)C(=O)O 1P00742G [0,0,0,0,1,1|1,0,1]=4 1035 B15R2.988 Oc1nc2ccccc2c(c1)C(=O)O 1P003HWS [0,0,0,0,1,1|1,0,1]=4 1036 B17R2.5006 OC(=O)CCc1cc2ccccc2[nH]c1=O 1P00VSYW [0,0,0,0,0,2|1,0,0]=3 1037 B17R2.5006 OC(=O)CCc1nc2ccccc2[nH]c1=O 1P008OGA [0,0,0,0,0,2|2,0,0]=4 1038 B17R2.5006 OC(=O)CCc1nc2ccccc2oc1=O 1P002PSG [0,0,0,0,0,2|1,0,0]=3