0 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cc[nH]c2 WXDL_WXCD00303595_BT5115_SB4281 [0,0,0,0,0,0|3,0,1]=4 1 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB4281 [0,0,0,0,0,0|3,0,0]=3 2 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cccs2 WXDL_WXCD00303595_BT1547_SB4281 [0,0,0,0,0,0|3,1,0]=4 3 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cccs2 WXDL_WXCD00303595_BT4023_SB4281 [0,0,0,0,0,0|3,1,0]=4 4 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cccs2 WXDL_WXCD00303595_BT5079_SB4281 [0,0,0,0,0,0|3,1,0]=4 5 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2ccoc2 WXDL_WXCD00303595_BT1598_SB4281 [0,0,0,0,0,0|4,0,0]=4 6 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2ccsc2 WXDL_WXCD00303595_BT1561_SB4281 [0,0,0,0,0,0|4,0,0]=4 7 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cn[nH]c2 WXDL_WXCD00303595_BT0829_SB4281 [0,0,0,0,0,0|4,0,0]=4 8 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB4281 [0,0,0,0,0,0|2,1,0]=3 9 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cnoc2 WXDL_WXCD00303595_BT1438_SB4281 [0,0,0,0,0,0|4,0,0]=4 10 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cscn2 WXDL_WXCD00303595_BT0962_SB4281 [0,0,0,0,0,0|4,0,0]=4 11 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cc[nH]c2 WXDL_WXCD02002520_BT5115_SB4281 [0,0,0,0,0,0|3,0,1]=4 12 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB4281 [0,0,0,0,0,0|3,0,0]=3 13 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cccs2 WXDL_WXCD02002520_BT1547_SB4281 [0,0,0,0,0,0|3,1,0]=4 14 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cccs2 WXDL_WXCD02002520_BT4023_SB4281 [0,0,0,0,0,0|3,1,0]=4 15 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cccs2 WXDL_WXCD02002520_BT5079_SB4281 [0,0,0,0,0,0|3,1,0]=4 16 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2ccoc2 WXDL_WXCD02002520_BT1598_SB4281 [0,0,0,0,0,0|4,0,0]=4 17 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2ccsc2 WXDL_WXCD02002520_BT1561_SB4281 [0,0,0,0,0,0|4,0,0]=4 18 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cn[nH]c2 WXDL_WXCD02002520_BT0829_SB4281 [0,0,0,0,0,0|4,0,0]=4 19 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB4281 [0,0,0,0,0,0|2,1,0]=3 20 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cnoc2 WXDL_WXCD02002520_BT1438_SB4281 [0,0,0,0,0,0|4,0,0]=4 21 B21R2.12906 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cscn2 WXDL_WXCD02002520_BT0962_SB4281 [0,0,0,0,0,0|4,0,0]=4 22 B20R2.3203 CCCC(C)C(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB0352 [1,0,0,0,0,0|3,0,0]=4 23 B20R2.3203 CCCC(C)C(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB0352 [1,0,0,0,0,0|2,1,0]=4 24 B20R2.3203 CCCC(C)C(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB0352 [1,0,0,0,0,0|3,0,0]=4 25 B20R2.3203 CCCC(C)C(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB0352 [1,0,0,0,0,0|2,1,0]=4 26 B20R2.3203 CCC[C@H](O)C(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB3627 [1,0,0,0,0,0|3,0,0]=4 27 B20R2.3203 CCC[C@H](O)C(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB3627 [1,0,0,0,0,0|2,1,0]=4 28 B20R2.3203 CCC[C@H](O)C(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB3627 [1,0,0,0,0,0|3,0,0]=4 29 B20R2.3203 CCC[C@H](O)C(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB3627 [1,0,0,0,0,0|2,1,0]=4 30 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cc[nH]c2 WXDL_WXCD00303595_BT5115_SB0354 [1,0,0,0,0,0|2,0,1]=4 31 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB0354 [1,0,0,0,0,0|2,0,0]=3 32 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cccs2 WXDL_WXCD00303595_BT1547_SB0354 [1,0,0,0,0,0|2,1,0]=4 33 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cccs2 WXDL_WXCD00303595_BT4023_SB0354 [1,0,0,0,0,0|2,1,0]=4 34 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cccs2 WXDL_WXCD00303595_BT5079_SB0354 [1,0,0,0,0,0|2,1,0]=4 35 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2ccoc2 WXDL_WXCD00303595_BT1598_SB0354 [1,0,0,0,0,0|3,0,0]=4 36 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2ccsc2 WXDL_WXCD00303595_BT1561_SB0354 [1,0,0,0,0,0|3,0,0]=4 37 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cn[nH]c2 WXDL_WXCD00303595_BT0829_SB0354 [1,0,0,0,0,0|3,0,0]=4 38 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB0354 [1,0,0,0,0,0|1,1,0]=3 39 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cnoc2 WXDL_WXCD00303595_BT1438_SB0354 [1,0,0,0,0,0|3,0,0]=4 40 B20R2.10667 CC(C)CCC(=O)Nc1ccc(cn1)c2cscn2 WXDL_WXCD00303595_BT0962_SB0354 [1,0,0,0,0,0|3,0,0]=4 41 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cc[nH]c2 WXDL_WXCD02002520_BT5115_SB0354 [1,0,0,0,0,0|2,0,1]=4 42 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB0354 [1,0,0,0,0,0|2,0,0]=3 43 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cccs2 WXDL_WXCD02002520_BT1547_SB0354 [1,0,0,0,0,0|2,1,0]=4 44 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cccs2 WXDL_WXCD02002520_BT4023_SB0354 [1,0,0,0,0,0|2,1,0]=4 45 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cccs2 WXDL_WXCD02002520_BT5079_SB0354 [1,0,0,0,0,0|2,1,0]=4 46 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2ccoc2 WXDL_WXCD02002520_BT1598_SB0354 [1,0,0,0,0,0|3,0,0]=4 47 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2ccsc2 WXDL_WXCD02002520_BT1561_SB0354 [1,0,0,0,0,0|3,0,0]=4 48 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cn[nH]c2 WXDL_WXCD02002520_BT0829_SB0354 [1,0,0,0,0,0|3,0,0]=4 49 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB0354 [1,0,0,0,0,0|1,1,0]=3 50 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cnoc2 WXDL_WXCD02002520_BT1438_SB0354 [1,0,0,0,0,0|3,0,0]=4 51 B20R2.10667 CC(C)CCC(=O)Nc1ccc(nc1)c2cscn2 WXDL_WXCD02002520_BT0962_SB0354 [1,0,0,0,0,0|3,0,0]=4 52 B20R2.10667 CC(C)OCC(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB0213 [1,0,0,0,0,0|3,0,0]=4 53 B20R2.10667 CC(C)OCC(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB0213 [1,0,0,0,0,0|2,1,0]=4 54 B20R2.10667 CC(C)OCC(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB0213 [1,0,0,0,0,0|3,0,0]=4 55 B20R2.10667 CC(C)OCC(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB0213 [1,0,0,0,0,0|2,1,0]=4 56 B20R2.10667 CN(C)CCC(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB00052 [1,0,0,0,0,0|3,0,0]=4 57 B20R2.10667 CN(C)CCC(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB00052 [1,0,0,0,0,0|2,1,0]=4 58 B20R2.10667 CN(C)CCC(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB00052 [1,0,0,0,0,0|3,0,0]=4 59 B20R2.10667 CN(C)CCC(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB00052 [1,0,0,0,0,0|2,1,0]=4 60 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cc[nH]c2 WXDL_LN01361562_BT5115_SB4281 [0,1,0,0,0,0|2,0,1]=4 61 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB4281 [0,1,0,0,0,0|2,0,0]=3 62 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cccs2 WXDL_LN01361562_BT1547_SB4281 [0,1,0,0,0,0|2,1,0]=4 63 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cccs2 WXDL_LN01361562_BT4023_SB4281 [0,1,0,0,0,0|2,1,0]=4 64 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cccs2 WXDL_LN01361562_BT5079_SB4281 [0,1,0,0,0,0|2,1,0]=4 65 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2ccoc2 WXDL_LN01361562_BT1598_SB4281 [0,1,0,0,0,0|3,0,0]=4 66 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2ccsc2 WXDL_LN01361562_BT1561_SB4281 [0,1,0,0,0,0|3,0,0]=4 67 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cn[nH]c2 WXDL_LN01361562_BT0829_SB4281 [0,1,0,0,0,0|3,0,0]=4 68 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB4281 [0,1,0,0,0,0|1,1,0]=3 69 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cnoc2 WXDL_LN01361562_BT1438_SB4281 [0,1,0,0,0,0|3,0,0]=4 70 B22R2.123770 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cscn2 WXDL_LN01361562_BT0962_SB4281 [0,1,0,0,0,0|3,0,0]=4 71 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cc[nH]c2 WXDL_LN00195390_BT5115_SB4281 [0,1,0,0,0,0|2,0,1]=4 72 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB4281 [0,1,0,0,0,0|2,0,0]=3 73 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cccs2 WXDL_LN00195390_BT1547_SB4281 [0,1,0,0,0,0|2,1,0]=4 74 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cccs2 WXDL_LN00195390_BT4023_SB4281 [0,1,0,0,0,0|2,1,0]=4 75 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cccs2 WXDL_LN00195390_BT5079_SB4281 [0,1,0,0,0,0|2,1,0]=4 76 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2ccoc2 WXDL_LN00195390_BT1598_SB4281 [0,1,0,0,0,0|3,0,0]=4 77 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2ccsc2 WXDL_LN00195390_BT1561_SB4281 [0,1,0,0,0,0|3,0,0]=4 78 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cn[nH]c2 WXDL_LN00195390_BT0829_SB4281 [0,1,0,0,0,0|3,0,0]=4 79 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB4281 [0,1,0,0,0,0|1,1,0]=3 80 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cnoc2 WXDL_LN00195390_BT1438_SB4281 [0,1,0,0,0,0|3,0,0]=4 81 B22R2.123933 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cscn2 WXDL_LN00195390_BT0962_SB4281 [0,1,0,0,0,0|3,0,0]=4 82 B22R2.123933 CC(C)CC(O)C(=O)Nc1ncc(cc1O)c2ccco2 WXDL_LN01330393_BT1995_SB4281 [0,1,0,0,0,0|3,0,0]=4 83 B22R2.123933 CC(C)CC(O)C(=O)Nc1ncc(cc1O)c2cncs2 WXDL_LN01330393_BT0771_SB4281 [0,1,0,0,0,0|2,1,0]=4 84 B22R2.123933 Cc1cc(cnc1NC(=O)C(O)CC(C)C)c2ccco2 WXDL_LN00336735_BT1995_SB4281 [0,1,0,0,0,0|3,0,0]=4 85 B22R2.123933 Cc1cc(cnc1NC(=O)C(O)CC(C)C)c2cncs2 WXDL_LN00336735_BT0771_SB4281 [0,1,0,0,0,0|2,1,0]=4 86 B22R2.128062 Cc1ccc(o1)c2ccc(cn2)NC(=O)C(O)CC(C)C WXDL_WXCD02002520_BT2297_SB4281 [0,1,0,0,0,0|3,0,0]=4 87 B22R2.128062 Cc1ccc(o1)c2ccc(nc2)NC(=O)C(O)CC(C)C WXDL_WXCD00303595_BT2297_SB4281 [0,1,0,0,0,0|3,0,0]=4 88 B22R2.128062 Cc1ncc(s1)c2ccc(cn2)NC(=O)C(O)CC(C)C WXDL_WXCD02002520_BT2292_SB4281 [0,1,0,0,0,0|2,1,0]=4 89 B22R2.128062 Cc1ncc(s1)c2ccc(nc2)NC(=O)C(O)CC(C)C WXDL_WXCD00303595_BT2292_SB4281 [0,1,0,0,0,0|2,1,0]=4 90 B22R2.198136 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cncn2C WXDL_WXCD00303595_BT2181_SB4281 [0,1,0,0,0,0|3,0,0]=4 91 B22R2.198136 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cncn2C WXDL_WXCD02002520_BT2181_SB4281 [0,1,0,0,0,0|3,0,0]=4 92 B22R3.10775 O=C(Nc1ccc(cn1)c2ccco2)[C@@H]3C[C@@H](CN3)O WXDL_WXCD00303595_BT1995_SB00007 [0,0,0,1,0,0|3,0,0]=4 93 B22R3.10775 O=C(Nc1ccc(cn1)c2cncs2)[C@@H]3C[C@@H](CN3)O WXDL_WXCD00303595_BT0771_SB00007 [0,0,0,1,0,0|2,1,0]=4 94 B22R3.10775 O=C(Nc1ccc(nc1)c2ccco2)[C@@H]3C[C@@H](CN3)O WXDL_WXCD02002520_BT1995_SB00007 [0,0,0,1,0,0|3,0,0]=4 95 B22R3.10775 O=C(Nc1ccc(nc1)c2cncs2)[C@@H]3C[C@@H](CN3)O WXDL_WXCD02002520_BT0771_SB00007 [0,0,0,1,0,0|2,1,0]=4 96 B22R3.12510539 CC1(CC(C1)C(=O)Nc2ccc(cn2)c3ccco3)C WXDL_WXCD00303595_BT1995_SB2977 [0,0,0,1,0,0|3,0,0]=4 97 B22R3.12510539 CC1(CC(C1)C(=O)Nc2ccc(cn2)c3cncs3)C WXDL_WXCD00303595_BT0771_SB2977 [0,0,0,1,0,0|2,1,0]=4 98 B22R3.12510539 CC1(CC(C1)C(=O)Nc2ccc(nc2)c3ccco3)C WXDL_WXCD02002520_BT1995_SB2977 [0,0,0,1,0,0|3,0,0]=4 99 B22R3.12510539 CC1(CC(C1)C(=O)Nc2ccc(nc2)c3cncs3)C WXDL_WXCD02002520_BT0771_SB2977 [0,0,0,1,0,0|2,1,0]=4 100 B20R2.10620 CC(C)CC(O)C(=O)Nc1cc(cs1)c2ccco2 WXDL_LN00173735_BT1995_SB4281 [0,0,0,0,1,0|3,0,0]=4 101 B20R2.10620 CC(C)CC(O)C(=O)Nc1cc(cs1)c2cncs2 WXDL_LN00173735_BT0771_SB4281 [0,0,0,0,1,0|2,1,0]=4 102 B20R2.10620 CC(C)CC(O)C(=O)Nc1ccc(s1)c2ccco2 WXDL_LN00213588_BT1995_SB4281 [0,0,0,0,1,0|3,0,0]=4 103 B20R2.10620 CC(C)CC(O)C(=O)Nc1ccc(s1)c2cncs2 WXDL_LN00213588_BT0771_SB4281 [0,0,0,0,1,0|2,1,0]=4 104 B20R2.10690 CC(C)C(O)C(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB1147 [0,0,0,0,1,0|3,0,0]=4 105 B20R2.10690 CC(C)C(O)C(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB1147 [0,0,0,0,1,0|2,1,0]=4 106 B20R2.10690 CC(C)C(O)C(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB1147 [0,0,0,0,1,0|3,0,0]=4 107 B20R2.10690 CC(C)C(O)C(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB1147 [0,0,0,0,1,0|2,1,0]=4 108 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cccnc2 WXDL_WXCD00303595_BT1208_SB4281 [0,0,0,0,0,1|3,0,0]=4 109 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2cccnc2 WXDL_WXCD00303595_BT3912_SB4281 [0,0,0,0,0,1|3,0,0]=4 110 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2ccncc2 WXDL_WXCD00303595_BT0574_SB4281 [0,0,0,0,0,1|3,0,0]=4 111 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(cn1)c2ccnnc2 WXDL_WXCD00303595_BT1744_SB4281 [0,0,0,0,0,1|3,0,0]=4 112 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cccnc2 WXDL_WXCD02002520_BT1208_SB4281 [0,0,0,0,0,1|3,0,0]=4 113 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2cccnc2 WXDL_WXCD02002520_BT3912_SB4281 [0,0,0,0,0,1|3,0,0]=4 114 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2ccncc2 WXDL_WXCD02002520_BT0574_SB4281 [0,0,0,0,0,1|3,0,0]=4 115 B22R2.15231 CC(C)CC(O)C(=O)Nc1ccc(nc1)c2ccnnc2 WXDL_WXCD02002520_BT1744_SB4281 [0,0,0,0,0,1|3,0,0]=4 116 B22R2.130931 CC(C)CC(O)C(=O)NCc1ccc(cn1)c2ccco2 WXDL_LN00174727_BT1995_SB4281 [0,0,0,0,0,1|3,0,0]=4 117 B22R2.130931 CC(C)CC(O)C(=O)NCc1ccc(cn1)c2cncs2 WXDL_LN00174727_BT0771_SB4281 [0,0,0,0,0,1|2,1,0]=4 118 B22R2.130931 CC(C)CC(O)C(=O)NCc1ccc(nc1)c2ccco2 WXDL_LN00244457_BT1995_SB4281 [0,0,0,0,0,1|3,0,0]=4 119 B22R2.130931 CC(C)CC(O)C(=O)NCc1ccc(nc1)c2cncs2 WXDL_LN00244457_BT0771_SB4281 [0,0,0,0,0,1|2,1,0]=4 120 B21R2.46582 CCCC(C)C(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB0352 [1,1,0,0,0,0|2,0,0]=4 121 B21R2.46582 CCCC(C)C(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB0352 [1,1,0,0,0,0|1,1,0]=4 122 B21R2.46582 CCC[C@H](O)C(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB3627 [1,1,0,0,0,0|2,0,0]=4 123 B21R2.46582 CCC[C@H](O)C(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB3627 [1,1,0,0,0,0|1,1,0]=4 124 B21R2.5120094 CCCC(C)C(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB0352 [1,1,0,0,0,0|2,0,0]=4 125 B21R2.5120094 CCCC(C)C(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB0352 [1,1,0,0,0,0|1,1,0]=4 126 B21R2.5120094 CCC[C@H](O)C(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB3627 [1,1,0,0,0,0|2,0,0]=4 127 B21R2.5120094 CCC[C@H](O)C(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB3627 [1,1,0,0,0,0|1,1,0]=4 128 B21R2.4909 CC(C)CCC(=O)Nc1ccc(cn1)c2cncn2C WXDL_WXCD00303595_BT2181_SB0354 [1,1,0,0,0,0|2,0,0]=4 129 B21R2.4909 CC(C)CCC(=O)Nc1ccc(nc1)c2cncn2C WXDL_WXCD02002520_BT2181_SB0354 [1,1,0,0,0,0|2,0,0]=4 130 B21R2.28320 Cc1ccc(o1)c2ccc(cn2)NC(=O)CCC(C)C WXDL_WXCD02002520_BT2297_SB0354 [1,1,0,0,0,0|2,0,0]=4 131 B21R2.28320 Cc1ccc(o1)c2ccc(nc2)NC(=O)CCC(C)C WXDL_WXCD00303595_BT2297_SB0354 [1,1,0,0,0,0|2,0,0]=4 132 B21R2.28320 Cc1ncc(s1)c2ccc(cn2)NC(=O)CCC(C)C WXDL_WXCD02002520_BT2292_SB0354 [1,1,0,0,0,0|1,1,0]=4 133 B21R2.28320 Cc1ncc(s1)c2ccc(nc2)NC(=O)CCC(C)C WXDL_WXCD00303595_BT2292_SB0354 [1,1,0,0,0,0|1,1,0]=4 134 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cc[nH]c2 WXDL_LN01361562_BT5115_SB0354 [1,1,0,0,0,0|1,0,1]=4 135 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB0354 [1,1,0,0,0,0|1,0,0]=3 136 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cccs2 WXDL_LN01361562_BT1547_SB0354 [1,1,0,0,0,0|1,1,0]=4 137 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cccs2 WXDL_LN01361562_BT4023_SB0354 [1,1,0,0,0,0|1,1,0]=4 138 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cccs2 WXDL_LN01361562_BT5079_SB0354 [1,1,0,0,0,0|1,1,0]=4 139 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2ccoc2 WXDL_LN01361562_BT1598_SB0354 [1,1,0,0,0,0|2,0,0]=4 140 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2ccsc2 WXDL_LN01361562_BT1561_SB0354 [1,1,0,0,0,0|2,0,0]=4 141 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cn[nH]c2 WXDL_LN01361562_BT0829_SB0354 [1,1,0,0,0,0|2,0,0]=4 142 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB0354 [1,1,0,0,0,0|0,1,0]=3 143 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cnoc2 WXDL_LN01361562_BT1438_SB0354 [1,1,0,0,0,0|2,0,0]=4 144 B21R2.93311 CC(C)CCC(=O)Nc1ccc(c(c1)F)c2cscn2 WXDL_LN01361562_BT0962_SB0354 [1,1,0,0,0,0|2,0,0]=4 145 B21R2.93311 CC(C)OCC(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB0213 [1,1,0,0,0,0|2,0,0]=4 146 B21R2.93311 CC(C)OCC(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB0213 [1,1,0,0,0,0|1,1,0]=4 147 B21R2.93311 CN(C)CCC(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB00052 [1,1,0,0,0,0|2,0,0]=4 148 B21R2.93311 CN(C)CCC(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB00052 [1,1,0,0,0,0|1,1,0]=4 149 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cc[nH]c2 WXDL_LN00195390_BT5115_SB0354 [1,1,0,0,0,0|1,0,1]=4 150 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB0354 [1,1,0,0,0,0|1,0,0]=3 151 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cccs2 WXDL_LN00195390_BT1547_SB0354 [1,1,0,0,0,0|1,1,0]=4 152 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cccs2 WXDL_LN00195390_BT4023_SB0354 [1,1,0,0,0,0|1,1,0]=4 153 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cccs2 WXDL_LN00195390_BT5079_SB0354 [1,1,0,0,0,0|1,1,0]=4 154 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2ccoc2 WXDL_LN00195390_BT1598_SB0354 [1,1,0,0,0,0|2,0,0]=4 155 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2ccsc2 WXDL_LN00195390_BT1561_SB0354 [1,1,0,0,0,0|2,0,0]=4 156 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cn[nH]c2 WXDL_LN00195390_BT0829_SB0354 [1,1,0,0,0,0|2,0,0]=4 157 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB0354 [1,1,0,0,0,0|0,1,0]=3 158 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cnoc2 WXDL_LN00195390_BT1438_SB0354 [1,1,0,0,0,0|2,0,0]=4 159 B21R2.93535 CC(C)CCC(=O)Nc1ccc(cc1F)c2cscn2 WXDL_LN00195390_BT0962_SB0354 [1,1,0,0,0,0|2,0,0]=4 160 B21R2.93535 CC(C)CCC(=O)Nc1ncc(cc1O)c2ccco2 WXDL_LN01330393_BT1995_SB0354 [1,1,0,0,0,0|2,0,0]=4 161 B21R2.93535 CC(C)CCC(=O)Nc1ncc(cc1O)c2cncs2 WXDL_LN01330393_BT0771_SB0354 [1,1,0,0,0,0|1,1,0]=4 162 B21R2.93535 CC(C)OCC(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB0213 [1,1,0,0,0,0|2,0,0]=4 163 B21R2.93535 CC(C)OCC(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB0213 [1,1,0,0,0,0|1,1,0]=4 164 B21R2.93535 CN(C)CCC(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB00052 [1,1,0,0,0,0|2,0,0]=4 165 B21R2.93535 CN(C)CCC(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB00052 [1,1,0,0,0,0|1,1,0]=4 166 B21R2.93535 Cc1cc(cnc1NC(=O)CCC(C)C)c2ccco2 WXDL_LN00336735_BT1995_SB0354 [1,1,0,0,0,0|2,0,0]=4 167 B21R2.93535 Cc1cc(cnc1NC(=O)CCC(C)C)c2cncs2 WXDL_LN00336735_BT0771_SB0354 [1,1,0,0,0,0|1,1,0]=4 168 B21R2.93330 CC(C)C(O)C(=O)Nc1ccc(c(c1)F)c2ccco2 WXDL_LN01361562_BT1995_SB1147 [0,1,0,0,1,0|2,0,0]=4 169 B21R2.93330 CC(C)C(O)C(=O)Nc1ccc(c(c1)F)c2cncs2 WXDL_LN01361562_BT0771_SB1147 [0,1,0,0,1,0|1,1,0]=4 170 B21R2.93427 CC(C)C(O)C(=O)Nc1ccc(cc1F)c2ccco2 WXDL_LN00195390_BT1995_SB1147 [0,1,0,0,1,0|2,0,0]=4 171 B21R2.93427 CC(C)C(O)C(=O)Nc1ccc(cc1F)c2cncs2 WXDL_LN00195390_BT0771_SB1147 [0,1,0,0,1,0|1,1,0]=4 172 B23R2.152150 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cccnc2 WXDL_LN01361562_BT1208_SB4281 [0,1,0,0,0,1|2,0,0]=4 173 B23R2.152150 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cccnc2 WXDL_LN01361562_BT3912_SB4281 [0,1,0,0,0,1|2,0,0]=4 174 B23R2.152150 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2ccncc2 WXDL_LN01361562_BT0574_SB4281 [0,1,0,0,0,1|2,0,0]=4 175 B23R2.152150 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2ccnnc2 WXDL_LN01361562_BT1744_SB4281 [0,1,0,0,0,1|2,0,0]=4 176 B23R2.152297 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cccnc2 WXDL_LN00195390_BT1208_SB4281 [0,1,0,0,0,1|2,0,0]=4 177 B23R2.152297 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cccnc2 WXDL_LN00195390_BT3912_SB4281 [0,1,0,0,0,1|2,0,0]=4 178 B23R2.152297 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2ccncc2 WXDL_LN00195390_BT0574_SB4281 [0,1,0,0,0,1|2,0,0]=4 179 B23R2.152297 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2ccnnc2 WXDL_LN00195390_BT1744_SB4281 [0,1,0,0,0,1|2,0,0]=4 180 B23R2.162125 CC(C)CC(O)C(=O)N[C@@H](C)c1ccc(cc1)c2ccco2 WXDL_LN00338518_BT1995_SB4281 [0,1,0,0,0,1|2,0,0]=4 181 B23R2.162125 CC(C)CC(O)C(=O)N[C@@H](C)c1ccc(cc1)c2cncs2 WXDL_LN00338518_BT0771_SB4281 [0,1,0,0,0,1|1,1,0]=4 182 B23R2.158734 Cc1ccc(o1)c2ccc(cc2F)NC(=O)C(O)CC(C)C WXDL_LN01361562_BT2297_SB4281 [0,2,0,0,0,0|2,0,0]=4 183 B23R2.158734 Cc1ncc(s1)c2ccc(cc2F)NC(=O)C(O)CC(C)C WXDL_LN01361562_BT2292_SB4281 [0,2,0,0,0,0|1,1,0]=4 184 B23R2.265438 CC(C)CC(O)C(=O)Nc1ccc(c(c1)F)c2cncn2C WXDL_LN01361562_BT2181_SB4281 [0,2,0,0,0,0|2,0,0]=4 185 B23R2.160066 Cc1ccc(o1)c2ccc(c(c2)F)NC(=O)C(O)CC(C)C WXDL_LN00195390_BT2297_SB4281 [0,2,0,0,0,0|2,0,0]=4 186 B23R2.160066 Cc1ncc(s1)c2ccc(c(c2)F)NC(=O)C(O)CC(C)C WXDL_LN00195390_BT2292_SB4281 [0,2,0,0,0,0|1,1,0]=4 187 B23R2.266101 CC(C)CC(O)C(=O)Nc1ccc(cc1F)c2cncn2C WXDL_LN00195390_BT2181_SB4281 [0,2,0,0,0,0|2,0,0]=4 188 B21R3.24402 O=C(CCC1CC1)Nc2ccc(cn2)c3ccco3 WXDL_WXCD00303595_BT1995_SB5360 [1,0,0,1,0,0|2,0,0]=4 189 B21R3.24402 O=C(CCC1CC1)Nc2ccc(cn2)c3cncs3 WXDL_WXCD00303595_BT0771_SB5360 [1,0,0,1,0,0|1,1,0]=4 190 B21R3.24402 O=C(CCC1CC1)Nc2ccc(nc2)c3ccco3 WXDL_WXCD02002520_BT1995_SB5360 [1,0,0,1,0,0|2,0,0]=4 191 B21R3.24402 O=C(CCC1CC1)Nc2ccc(nc2)c3cncs3 WXDL_WXCD02002520_BT0771_SB5360 [1,0,0,1,0,0|1,1,0]=4 192 B21R3.8003784 CC1(CC1C(=O)Nc2ccc(cn2)c3ccco3)C WXDL_WXCD00303595_BT1995_SB0012 [1,0,0,1,0,0|2,0,0]=4 193 B21R3.8003784 CC1(CC1C(=O)Nc2ccc(cn2)c3cncs3)C WXDL_WXCD00303595_BT0771_SB0012 [1,0,0,1,0,0|1,1,0]=4 194 B21R3.8003784 CC1(CC1C(=O)Nc2ccc(nc2)c3ccco3)C WXDL_WXCD02002520_BT1995_SB0012 [1,0,0,1,0,0|2,0,0]=4 195 B21R3.8003784 CC1(CC1C(=O)Nc2ccc(nc2)c3cncs3)C WXDL_WXCD02002520_BT0771_SB0012 [1,0,0,1,0,0|1,1,0]=4 196 B23R3.112152 O=C(Nc1ccc(c(c1)F)c2ccco2)[C@@H]3C[C@@H](CN3)O WXDL_LN01361562_BT1995_SB00007 [0,1,0,1,0,0|2,0,0]=4 197 B23R3.112152 O=C(Nc1ccc(c(c1)F)c2cncs2)[C@@H]3C[C@@H](CN3)O WXDL_LN01361562_BT0771_SB00007 [0,1,0,1,0,0|1,1,0]=4 198 B23R3.7571329 CC1(CC(C1)C(=O)Nc2ccc(c(c2)F)c3ccco3)C WXDL_LN01361562_BT1995_SB2977 [0,1,0,1,0,0|2,0,0]=4 199 B23R3.7571329 CC1(CC(C1)C(=O)Nc2ccc(c(c2)F)c3cncs3)C WXDL_LN01361562_BT0771_SB2977 [0,1,0,1,0,0|1,1,0]=4 200 B23R3.112111 O=C(Nc1ccc(cc1F)c2ccco2)[C@@H]3C[C@@H](CN3)O WXDL_LN00195390_BT1995_SB00007 [0,1,0,1,0,0|2,0,0]=4 201 B23R3.112111 O=C(Nc1ccc(cc1F)c2cncs2)[C@@H]3C[C@@H](CN3)O WXDL_LN00195390_BT0771_SB00007 [0,1,0,1,0,0|1,1,0]=4 202 B23R3.7569417 CC1(CC(C1)C(=O)Nc2ccc(cc2F)c3ccco3)C WXDL_LN00195390_BT1995_SB2977 [0,1,0,1,0,0|2,0,0]=4 203 B23R3.7569417 CC1(CC(C1)C(=O)Nc2ccc(cc2F)c3cncs3)C WXDL_LN00195390_BT0771_SB2977 [0,1,0,1,0,0|1,1,0]=4 204 B19R2.8781 CC(C)CCC(=O)Nc1cc(cs1)c2ccco2 WXDL_LN00173735_BT1995_SB0354 [1,0,0,0,1,0|2,0,0]=4 205 B19R2.8781 CC(C)CCC(=O)Nc1cc(cs1)c2cncs2 WXDL_LN00173735_BT0771_SB0354 [1,0,0,0,1,0|1,1,0]=4 206 B19R2.8781 CC(C)CCC(=O)Nc1ccc(s1)c2ccco2 WXDL_LN00213588_BT1995_SB0354 [1,0,0,0,1,0|2,0,0]=4 207 B19R2.8781 CC(C)CCC(=O)Nc1ccc(s1)c2cncs2 WXDL_LN00213588_BT0771_SB0354 [1,0,0,0,1,0|1,1,0]=4 208 B19R2.8819 CC(C)CC(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB0063 [1,0,0,0,1,0|2,0,0]=4 209 B19R2.8819 CC(C)CC(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB0063 [1,0,0,0,1,0|1,1,0]=4 210 B19R2.8819 CC(C)CC(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB0063 [1,0,0,0,1,0|2,0,0]=4 211 B19R2.8819 CC(C)CC(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB0063 [1,0,0,0,1,0|1,1,0]=4 212 B21R2.12960 CC(C)CCC(=O)Nc1ccc(cn1)c2cccnc2 WXDL_WXCD00303595_BT1208_SB0354 [1,0,0,0,0,1|2,0,0]=4 213 B21R2.12960 CC(C)CCC(=O)Nc1ccc(cn1)c2cccnc2 WXDL_WXCD00303595_BT3912_SB0354 [1,0,0,0,0,1|2,0,0]=4 214 B21R2.12960 CC(C)CCC(=O)Nc1ccc(cn1)c2ccncc2 WXDL_WXCD00303595_BT0574_SB0354 [1,0,0,0,0,1|2,0,0]=4 215 B21R2.12960 CC(C)CCC(=O)Nc1ccc(cn1)c2ccnnc2 WXDL_WXCD00303595_BT1744_SB0354 [1,0,0,0,0,1|2,0,0]=4 216 B21R2.12960 CC(C)CCC(=O)Nc1ccc(nc1)c2cccnc2 WXDL_WXCD02002520_BT1208_SB0354 [1,0,0,0,0,1|2,0,0]=4 217 B21R2.12960 CC(C)CCC(=O)Nc1ccc(nc1)c2cccnc2 WXDL_WXCD02002520_BT3912_SB0354 [1,0,0,0,0,1|2,0,0]=4 218 B21R2.12960 CC(C)CCC(=O)Nc1ccc(nc1)c2ccncc2 WXDL_WXCD02002520_BT0574_SB0354 [1,0,0,0,0,1|2,0,0]=4 219 B21R2.12960 CC(C)CCC(=O)Nc1ccc(nc1)c2ccnnc2 WXDL_WXCD02002520_BT1744_SB0354 [1,0,0,0,0,1|2,0,0]=4 220 B21R2.22436 CC(C)CCCC(=O)Nc1ccc(cn1)c2ccco2 WXDL_WXCD00303595_BT1995_SB1301 [1,0,0,0,0,1|2,0,0]=4 221 B21R2.22436 CC(C)CCCC(=O)Nc1ccc(cn1)c2cncs2 WXDL_WXCD00303595_BT0771_SB1301 [1,0,0,0,0,1|1,1,0]=4 222 B21R2.22436 CC(C)CCCC(=O)Nc1ccc(nc1)c2ccco2 WXDL_WXCD02002520_BT1995_SB1301 [1,0,0,0,0,1|2,0,0]=4 223 B21R2.22436 CC(C)CCCC(=O)Nc1ccc(nc1)c2cncs2 WXDL_WXCD02002520_BT0771_SB1301 [1,0,0,0,0,1|1,1,0]=4 224 B21R2.402416 CC(C)CCC(=O)NCc1ccc(cn1)c2ccco2 WXDL_LN00174727_BT1995_SB0354 [1,0,0,0,0,1|2,0,0]=4 225 B21R2.402416 CC(C)CCC(=O)NCc1ccc(cn1)c2cncs2 WXDL_LN00174727_BT0771_SB0354 [1,0,0,0,0,1|1,1,0]=4 226 B21R2.402416 CC(C)CCC(=O)NCc1ccc(nc1)c2ccco2 WXDL_LN00244457_BT1995_SB0354 [1,0,0,0,0,1|2,0,0]=4 227 B21R2.402416 CC(C)CCC(=O)NCc1ccc(nc1)c2cncs2 WXDL_LN00244457_BT0771_SB0354 [1,0,0,0,0,1|1,1,0]=4 228 B21R2.12907 CC(C)CC(O)C(=O)Nc1cc(ccn1)c2ccco2 WXDL_WXCD00193380_BT1995_SB4281 [0,0,0,0,1,1|2,0,0]=4 229 B21R2.12907 CC(C)CC(O)C(=O)Nc1cc(ccn1)c2cncs2 WXDL_WXCD00193380_BT0771_SB4281 [0,0,0,0,1,1|1,1,0]=4 230 B21R2.12907 CC(C)CC(O)C(=O)Nc1ccnc(c1)c2ccco2 WXDL_WXCD02016643_BT1995_SB4281 [0,0,0,0,1,1|2,0,0]=4 231 B21R2.12907 CC(C)CC(O)C(=O)Nc1ccnc(c1)c2cncs2 WXDL_WXCD02016643_BT0771_SB4281 [0,0,0,0,1,1|1,1,0]=4 232 B21R2.12907 CC(C)CC(O)C(=O)Nc1cncc(c1)c2ccco2 WXDL_WXCD00401835_BT1995_SB4281 [0,0,0,0,1,1|2,0,0]=4 233 B21R2.12907 CC(C)CC(O)C(=O)Nc1cncc(c1)c2cncs2 WXDL_WXCD00401835_BT0771_SB4281 [0,0,0,0,1,1|1,1,0]=4 234 B23R2.470753 CC(C)CC(O)C(=O)Nc1ccc(nc1)NCc2cnco2 WXDL_WXCD00263849_SB4281_QS1170 [0,0,0,0,0,2|2,0,0]=4