SciTegic07090714122D 16 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 3.6380 -2.1004 0.0000 N 0 0 2.5972 1.5031 0.0000 S 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 3 0 5 2 1 0 6 1 1 0 7 5 1 0 8 6 1 0 9 2 1 0 10 11 1 0 11 6 2 0 12 7 1 0 13 7 2 0 14 13 1 0 15 12 2 0 16 14 2 0 9 10 2 0 16 15 1 0 M END > 86848 > J. Med. Chem. 44(12)-2001 1866-1882 > HIV-1RT > 5.0605 $$$$ SciTegic07090714122D 16 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.6003 1.4978 0.0000 S 0 0 0.0000 -2.7000 0.0000 N 0 0 -2.3383 1.3500 0.0000 Cl 0 0 3.8990 0.7455 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 6.4994 0.7433 0.0000 C 0 0 5.2004 2.9933 0.0000 C 0 0 6.4995 3.7433 0.0000 C 0 0 7.7985 1.4933 0.0000 C 0 0 7.7985 2.9933 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 4 2 0 7 3 1 0 8 4 1 0 9 5 1 0 10 7 1 0 11 10 1 0 12 11 2 0 13 11 1 0 14 13 2 0 15 12 1 0 16 14 1 0 2 5 2 0 15 16 2 0 M END > 46740 > J. Med. Chem. 41(20)-1998 3793-3803 > HIV-1RT > 5.1765 $$$$ SciTegic07090714122D 16 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 7.8003 1.4887 0.0000 C 0 0 6.4990 0.7410 0.0000 C 0 0 7.8024 2.6887 0.0000 O 0 0 2.6003 1.4978 0.0000 S 0 0 5.2003 1.4932 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 -2.3383 1.3500 0.0000 Cl 0 0 9.0990 0.7365 0.0000 O 0 0 3.8990 0.7455 0.0000 C 0 0 10.1394 1.3343 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 4 2 0 7 8 1 0 8 11 2 0 9 7 2 0 10 3 1 0 11 15 1 0 12 4 1 0 13 5 1 0 14 7 1 0 15 10 1 0 16 14 1 0 2 5 2 0 M END > 46745 > J. Med. Chem. 41(20)-1998 3793-3803 > HIV-1RT > 5.2798 $$$$ SciTegic07090714122D 16 17 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 5.3273 -7.4917 0.0000 N 0 0 6.5408 -5.3899 0.0000 S 0 0 4.9336 -3.1588 0.0000 S 0 0 2.5951 -3.0039 0.0000 N 0 0 6.7945 -7.8036 0.0000 C 0 0 7.5445 -6.5046 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 3 2 0 7 3 1 0 8 4 1 0 9 5 1 0 10 7 1 0 11 10 1 0 12 11 2 0 13 11 1 0 14 13 2 0 15 12 1 0 16 14 1 0 9 8 2 0 15 16 2 0 M END > 27735 > J. Med. Chem. 38(25)-1995 4929-4936 > HIV-1RT > 5.9208 $$$$ SciTegic07090714122D 16 17 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.6281 -2.2462 0.0000 N 0 0 1.0157 -3.6164 0.0000 C 0 0 1.2135 0.3943 0.0000 N 0 0 -0.7500 -1.0323 0.0000 S 0 0 1.5502 -8.7888 0.0000 C 0 0 -0.1779 -3.7398 0.0000 S 0 0 2.3046 -10.0705 0.0000 O 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 0.0908 -9.0756 0.0000 C 0 0 1.2970 -11.1818 0.0000 C 0 0 -0.0712 -10.5669 0.0000 C 0 0 1.8954 -4.8324 0.0000 N 0 0 2.1626 -7.4186 0.0000 C 0 0 1.2830 -6.2026 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 15 1 0 7 3 2 0 8 6 1 0 9 4 1 0 10 5 1 0 11 6 2 0 12 8 1 0 13 11 1 0 14 3 1 0 15 16 1 0 16 14 1 0 10 9 2 0 12 13 2 0 M END > 27734 > J. Med. Chem. 38(25)-1995 4929-4936 > HIV-1RT > 6.1871 $$$$ SciTegic07090714122D 16 17 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 0.0056 -2.2014 0.0000 C 0 0 -2.5944 -2.2095 0.0000 C 0 0 -2.5917 -3.4095 0.0000 C 0 0 0.0694 -3.3997 0.0000 C 0 0 2 3 1 0 3 5 1 0 4 1 1 0 5 1 1 0 6 4 1 0 7 2 2 0 8 1 2 0 9 6 2 0 10 7 1 0 11 9 1 0 12 10 1 0 13 3 1 0 14 3 1 0 15 14 1 0 16 13 1 0 2 6 1 0 10 11 2 0 M END > 95432 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 7.7825 $$$$ SciTegic07090714122D 17 19 0 0 0 0 999 V2000 0.8689 -1.3311 0.0000 N 0 0 2.3849 -1.0353 0.0000 C 0 0 3.0874 0.3143 0.0000 C 0 0 0.9429 2.0521 0.0000 O 0 0 0.0000 -0.3882 0.0000 C 0 0 2.4219 1.7563 0.0000 C 0 0 0.0000 1.1277 0.0000 C 0 0 0.6840 -2.8471 0.0000 C 0 0 3.1059 -2.4034 0.0000 C 0 0 2.0706 -3.4942 0.0000 C 0 0 4.2871 0.2858 0.0000 O 0 0 -1.3126 -1.1462 0.0000 C 0 0 -1.3126 1.8857 0.0000 C 0 0 3.3308 2.9518 0.0000 C 0 0 2.8670 4.0586 0.0000 C 0 0 -2.6437 -0.3882 0.0000 C 0 0 -2.6437 1.1277 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 1 1 0 6 3 1 0 7 5 1 0 8 1 1 0 9 2 2 0 10 8 2 0 11 3 2 0 12 5 2 0 13 7 2 0 14 6 1 0 15 14 1 0 16 12 1 0 17 16 2 0 9 10 1 0 4 6 1 0 13 17 1 0 M END > 31650 > J. Med. Chem. 39(14)-1996 2672-2680 > HIV-1RT > 4.0000 $$$$ SciTegic07090714122D 17 18 0 0 0 0 999 V2000 5.1873 -7.5117 0.0000 C 0 0 6.3978 -8.3758 0.0000 S 0 0 5.1894 -6.0109 0.0000 N 0 0 3.9707 -8.3673 0.0000 N 0 0 3.8912 -5.2578 0.0000 C 0 0 4.4293 -9.7955 0.0000 N 0 0 5.9293 -9.8007 0.0000 C 0 0 2.8509 -5.8560 0.0000 S 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 3 1 0 6 4 1 0 7 2 1 0 8 5 2 0 9 5 1 0 10 9 1 0 11 12 1 0 12 10 1 0 13 11 2 0 14 11 1 0 15 13 1 0 16 14 2 0 17 16 1 0 7 6 2 0 17 15 2 0 M END > 27748 > J. Med. Chem. 38(25)-1995 4929-4936 > HIV-1RT > 5.7212 $$$$ SciTegic07090714122D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 3.6387 -0.8963 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 1.2978 3.7529 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 2.6024 -2.6977 0.0000 O 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0067 7.2009 0.0000 Cl 0 0 2 1 1 0 3 1 2 0 4 6 2 0 5 2 2 0 6 3 1 0 7 1 1 0 8 5 1 0 9 7 2 0 10 3 1 0 11 8 2 0 12 8 1 0 13 6 1 0 14 7 1 0 15 17 1 0 16 11 1 0 17 12 2 0 18 15 1 0 4 5 1 0 15 16 2 0 M END > 133074 > J. Med. Chem. 47(22)-2004 5336-5339 > HIV-1RT > 4.6383 $$$$ SciTegic07090714122D 18 21 0 0 0 0 999 V2000 0.3010 0.3704 0.0000 N 0 0 0.7408 -1.0186 0.0000 C 0 0 -0.4399 -1.9215 0.0000 N 0 0 1.5048 1.2733 0.0000 C 0 0 2.7318 0.3704 0.0000 S 0 0 -1.2039 0.3704 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 2.2688 -1.0186 0.0000 C 0 0 1.4980 2.7740 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 2.7225 3.6309 0.0000 C 0 0 0.1344 3.4037 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 0.0032 4.8979 0.0000 C 0 0 2.5913 5.1251 0.0000 C 0 0 1.2317 5.7586 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 4 1 0 6 1 1 0 7 6 1 0 8 2 1 0 9 4 1 0 10 6 2 0 11 7 2 0 12 9 2 0 13 9 1 0 14 10 1 0 15 14 2 0 16 13 2 0 17 12 1 0 18 16 1 0 3 7 1 0 5 8 1 0 15 11 1 0 18 17 2 0 M END > 107272 > J. Med. Chem. 45(24)-2002 5410-5413 > HIV-1RT > 4.8356 $$$$ SciTegic07090714122D 18 19 0 0 0 0 999 V2000 6.4855 -8.2648 0.0000 C 0 0 5.1873 -7.5117 0.0000 N 0 0 5.1894 -6.0109 0.0000 C 0 0 6.6233 -9.7456 0.0000 N 0 0 7.8369 -7.6438 0.0000 S 0 0 6.2297 -5.4127 0.0000 S 0 0 8.0906 -10.0575 0.0000 C 0 0 8.8406 -8.7585 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 3 2 0 7 4 1 0 8 5 1 0 9 3 1 0 10 12 1 0 11 9 1 0 12 15 1 0 13 10 2 0 14 10 1 0 15 11 1 0 16 14 2 0 17 13 1 0 18 16 1 0 8 7 2 0 17 18 2 0 M END > 27736 > J. Med. Chem. 38(25)-1995 4929-4936 > HIV-1RT > 5.3468 $$$$ SciTegic07090714122D 18 21 0 0 0 0 999 V2000 0.3010 0.3704 0.0000 C 0 0 0.7408 -1.0186 0.0000 N 0 0 -0.4399 -1.9215 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 -0.1736 1.7942 0.0000 C 0 0 1.5048 1.2733 0.0000 S 0 0 -1.5967 2.2260 0.0000 S 0 0 -0.4288 -3.1215 0.0000 O 0 0 0.7058 2.9935 0.0000 C 0 0 -1.6081 3.7260 0.0000 C 0 0 2.2688 -1.0186 0.0000 C 0 0 -0.1851 4.2003 0.0000 C 0 0 2.7318 0.3704 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 1 1 0 7 1 1 0 8 6 1 0 9 3 2 0 10 6 2 0 11 8 1 0 12 2 1 0 13 10 1 0 14 7 1 0 15 4 2 0 16 5 2 0 17 15 1 0 18 17 2 0 14 12 1 0 3 5 1 0 13 11 2 0 18 16 1 0 M END > 71138 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 5.5768 $$$$ SciTegic07090714122D 18 20 0 0 0 0 999 V2000 0.1244 1.9290 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 O 0 0 -0.4667 -0.7156 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 3.3446 -1.7734 0.0000 C 0 0 2.1824 3.0039 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 5.6742 -2.1194 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 4 1 0 6 7 1 0 7 3 2 0 8 4 2 0 9 1 2 0 10 5 2 0 11 2 1 0 12 8 1 0 13 12 2 0 14 3 1 0 15 7 1 0 16 13 1 0 17 14 2 0 18 17 1 0 6 5 1 0 18 15 2 0 13 10 1 0 M END > 9117 > J. Med. Chem. 35(10)-1992 1887-1897 > HIV-1RT > 6.2218 $$$$ SciTegic07090714122D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.6003 1.4978 0.0000 S 0 0 6.4990 0.7410 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 -2.3383 1.3500 0.0000 Cl 0 0 7.8003 1.4887 0.0000 C 0 0 3.8990 0.7455 0.0000 C 0 0 9.0994 0.7388 0.0000 C 0 0 7.8004 2.9888 0.0000 C 0 0 9.0994 3.7388 0.0000 C 0 0 10.3984 1.4888 0.0000 C 0 0 10.3985 2.9888 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 4 2 0 7 3 1 0 8 9 2 0 9 13 1 0 10 4 1 0 11 5 1 0 12 8 1 0 13 7 1 0 14 12 2 0 15 12 1 0 16 15 2 0 17 14 1 0 18 16 1 0 2 5 2 0 17 18 2 0 M END > 46742 > J. Med. Chem. 41(20)-1998 3793-3803 > HIV-1RT > 6.7212 $$$$ SciTegic07090714122D 18 19 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.5548 -3.6021 0.0000 S 0 0 1.2990 0.7500 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 6.4837 -8.2663 0.0000 C 0 0 3.8856 -8.2573 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 6.4785 -9.7663 0.0000 C 0 0 3.8804 -9.7573 0.0000 C 0 0 5.1769 -10.5118 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 3 2 0 6 2 1 0 7 6 1 0 8 11 1 0 9 5 1 0 10 3 1 0 11 7 1 0 12 8 1 0 13 8 2 0 14 15 1 0 15 10 2 0 16 12 2 0 17 13 1 0 18 17 2 0 9 14 2 0 16 18 1 0 M END > 27750 > J. Med. Chem. 38(25)-1995 4929-4936 > HIV-1RT > 7.6990 $$$$ SciTegic07090714122D 18 20 0 0 0 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -2.5944 -2.2095 0.0000 C 0 0 -3.2923 -3.4479 0.0000 C 0 0 -4.0139 -2.1329 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 0.0056 -2.2014 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 0.0854 -3.7001 0.0000 C 0 0 1.1548 -4.2446 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 3 1 0 5 1 1 0 6 2 1 0 7 1 1 0 8 7 1 0 9 7 1 0 10 2 2 0 11 3 2 0 12 6 2 0 13 10 1 0 14 1 1 0 15 13 2 0 16 13 1 0 17 14 1 0 18 17 1 0 8 9 1 0 4 6 1 0 15 12 1 0 M END > 95429 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 9.5129 $$$$ SciTegic07090714122D 19 22 0 0 1 0 999 V2000 0.7408 -1.0186 0.0000 N 0 0 0.3010 0.3704 0.0000 C 0 0 2 0 0 0 -0.4399 -1.9215 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 1.5048 1.2733 0.0000 S 0 0 -0.1736 1.7942 0.0000 C 0 0 -0.4288 -3.1215 0.0000 O 0 0 2.2688 -1.0186 0.0000 C 0 0 2.7318 0.3704 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 -1.6432 2.0949 0.0000 C 0 0 0.8216 2.9165 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 0.3472 4.3395 0.0000 C 0 0 -2.1175 3.5179 0.0000 C 0 0 -1.1223 4.6402 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 2 1 0 2 7 1 1 8 3 2 0 9 1 1 0 10 9 1 0 11 4 2 0 12 5 2 0 13 7 1 0 14 7 2 0 15 11 1 0 16 12 1 0 17 14 1 0 18 13 2 0 19 17 2 0 6 10 1 0 5 4 1 0 16 15 2 0 19 18 1 0 M END > 71136 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 4.4023 $$$$ SciTegic07090714122D 19 22 0 0 1 0 999 V2000 1.6852 -0.3846 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 1 0 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.3515 1.0777 0.0000 S 0 0 2.2896 1.8259 0.0000 O 0 0 1.3515 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.5000 -2.8577 0.0000 C 0 0 1.5000 -2.8577 0.0000 C 0 0 0.1115 3.2255 0.0000 C 0 0 -2.5914 1.9238 0.0000 C 0 0 -0.7500 -4.1567 0.0000 C 0 0 0.7500 -4.1567 0.0000 C 0 0 -2.4793 3.4197 0.0000 C 0 0 -1.1278 4.0705 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 3 1 0 6 2 1 0 7 6 2 0 8 11 1 0 9 2 2 0 10 1 1 0 11 10 1 0 12 3 2 0 13 4 2 0 14 6 1 0 15 7 1 0 16 17 2 0 17 13 1 0 18 19 1 0 19 14 2 0 5 8 1 6 5 7 1 0 12 16 1 0 18 15 2 0 M END > 68309 > J. Med. Chem. 36(6)-1993 726-732 > HIV-1RT > 6.0809 $$$$ SciTegic07090714122D 20 23 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 1.6775 -4.0373 0.0000 C 0 0 0.1797 -4.1195 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.3998 3.0084 0.0000 O 0 0 4.0135 1.1200 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.2891 2.2880 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 2 2 0 6 5 1 0 7 3 2 0 8 1 1 0 9 3 1 0 10 8 1 0 11 8 1 0 12 2 1 0 13 6 2 0 14 7 1 0 15 5 1 0 16 9 2 0 17 12 2 0 18 16 1 0 19 14 1 0 20 17 1 0 10 11 1 0 6 4 1 0 18 14 2 0 15 20 2 0 M END > 169027 > J. Med. Chem. 49(8)-2006 2375-2387 > HIV-1RT > 3.5452 $$$$ SciTegic07090714122D 20 21 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 9.1667 8.0767 0.0000 O 0 0 -3.3560 1.3452 0.0000 Cl 0 0 2.1812 2.6271 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 7.5241 6.4042 0.0000 O 0 0 7.1918 8.7241 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 2 1 1 0 3 4 2 0 4 1 1 0 5 1 1 0 6 2 2 0 7 2 1 0 8 5 2 0 9 8 1 0 10 15 1 0 11 10 2 0 12 8 1 0 13 4 1 0 14 6 1 0 15 17 1 0 16 10 1 0 17 19 1 0 18 13 1 0 19 20 1 0 20 18 1 0 6 3 1 0 9 7 2 0 M END > 73465 > J. Med. Chem. 36(24)-1993 3784-3794 > HIV-1RT > 3.9586 $$$$ SciTegic07090714122D 20 23 0 0 0 0 999 V2000 -1.2274 -0.6045 0.0000 N 0 0 -1.2274 0.8244 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -2.5190 0.0000 O 0 0 -0.8456 2.2758 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 0.6015 2.6706 0.0000 C 0 0 -1.9111 3.3316 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 0.9831 4.1213 0.0000 C 0 0 -1.5295 4.7822 0.0000 C 0 0 -0.0824 5.1771 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 3 2 0 7 2 1 0 8 1 1 0 9 2 1 0 10 4 2 0 11 5 2 0 12 7 2 0 13 7 1 0 14 8 1 0 15 14 1 0 16 10 1 0 17 11 1 0 18 12 1 0 19 13 2 0 20 19 1 0 5 4 1 0 15 9 1 0 17 16 2 0 20 18 2 0 M END > 71176 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 4.1221 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 7.0514 2.6798 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 6.2823 3.9676 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 0.2917 -0.7475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 6.9361 0.3396 0.0000 O 0 0 4.0102 5.2323 0.0000 C 0 0 6.8669 5.0156 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.8104 5.2129 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 3 2 0 3 11 1 0 4 1 1 0 5 4 1 0 6 8 1 0 7 1 1 0 8 7 2 0 9 3 1 0 10 2 1 0 11 5 1 0 12 9 1 0 13 4 2 0 14 8 1 0 15 7 1 0 16 10 1 0 17 12 1 0 18 14 1 0 19 17 2 0 20 16 2 0 6 5 2 0 12 10 2 0 19 20 1 0 M END > 68586 > J. Med. Chem. 36(8)-1993 953-966 > HIV-1RT > 4.3468 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.7889 0.0269 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 -3.3560 -1.3452 0.0000 Cl 0 0 6.5873 3.5462 0.0000 C 0 0 7.7622 3.7904 0.0000 F 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 4 1 0 6 4 2 0 7 5 2 0 8 6 1 0 9 8 2 0 10 1 1 0 11 2 1 0 12 10 1 0 13 8 1 0 14 9 1 0 15 19 2 0 16 15 1 0 17 12 1 0 18 12 2 0 19 18 1 0 20 17 2 0 3 5 1 0 15 20 1 0 7 9 1 0 M END > 43127 > J. Med. Chem. 41(8)-1998 1252-1262 > HIV-1RT > 4.4949 $$$$ SciTegic07090714122D 20 21 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 3.8990 -0.7508 0.0000 N 0 0 5.2499 -1.3728 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 5.5523 -2.8401 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 O 0 0 4.0377 0.7299 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.2543 -0.2587 0.0000 C 0 0 5.5052 1.0408 0.0000 C 0 0 4.6552 -3.6372 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 6.9764 -3.3138 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 7.2185 -4.4891 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 3 1 0 6 4 1 0 7 1 2 0 8 1 2 0 9 2 1 0 10 4 2 0 11 3 2 0 12 9 2 0 13 5 2 0 14 10 1 0 15 6 2 0 16 10 1 0 17 5 1 0 18 14 2 0 19 15 1 0 20 17 1 0 12 11 1 0 15 18 1 0 M END > 28704 > J. Med. Chem. 39(2)-1996 522-530 > HIV-1RT > 5.1308 $$$$ SciTegic07090714122D 20 21 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.2568 0.5852 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 5.6819 1.0556 0.0000 C 0 0 4.2010 -3.2956 0.0000 S 0 0 2.7343 -2.9815 0.0000 N 0 0 5.9880 2.5249 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.5772 0.2566 0.0000 O 0 0 0.0000 -2.7000 0.0000 Cl 0 0 2.3383 1.3500 0.0000 Cl 0 0 -1.2990 0.7500 0.0000 C 0 0 7.4132 2.9954 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 5.0928 3.3240 0.0000 C 0 0 7.6580 4.1702 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 2 2 0 6 3 1 0 7 8 1 0 8 1 2 0 9 6 1 0 10 4 2 0 11 4 1 0 12 6 2 0 13 11 1 0 14 10 1 0 15 18 1 0 16 9 1 0 17 10 1 0 18 11 2 0 19 9 1 0 20 16 1 0 7 5 1 0 15 17 2 0 M END > 23237 > J. Med. Chem. 38(12)-1995 2038-2040 > HIV-1RT > 5.4685 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 0.0000 2.7000 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -3.8939 0.7546 0.0000 C 0 0 3.8056 -3.8679 0.0000 C 0 0 1.3786 -3.8595 0.0000 C 0 0 -5.1903 1.5090 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 3.3372 -5.2929 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 3 1 0 5 2 1 0 6 4 2 0 7 1 1 0 8 5 2 0 9 4 1 0 10 7 1 0 11 9 1 0 12 11 2 0 13 11 1 0 14 10 1 0 15 10 1 0 16 13 2 0 17 12 1 0 18 15 1 0 19 14 1 0 20 16 1 0 6 5 1 0 18 19 1 0 17 20 2 0 M END > 24973 > J. Med. Chem. 38(17)-1995 3258-3263 > HIV-1RT > 5.5528 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 -6.5121 2.9924 0.0000 N 0 0 -7.8113 0.7426 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -7.8109 4.9426 0.0000 N 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 4 2 0 7 3 1 0 8 9 2 0 9 14 1 0 10 11 2 0 11 16 1 0 12 4 1 0 13 5 1 0 14 15 1 0 15 7 1 0 16 14 2 0 17 8 1 0 18 10 1 0 19 17 2 0 20 18 2 0 2 5 2 0 8 10 1 0 19 20 1 0 M END > 46741 > J. Med. Chem. 41(20)-1998 3793-3803 > HIV-1RT > 6.3372 $$$$ SciTegic07090714122D 20 23 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 -1.5712 -1.7423 0.0000 N 0 0 0.8607 -2.8697 0.0000 C 0 0 2.1824 3.0039 0.0000 O 0 0 4.0135 1.1200 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 0.7257 -4.9379 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -0.2648 -3.8114 0.0000 C 0 0 1.8522 -3.9474 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 3 1 0 5 1 1 0 6 7 1 0 7 5 2 0 8 2 1 0 9 5 1 0 10 1 1 0 11 4 2 0 12 3 1 0 13 7 1 0 14 8 2 0 15 18 1 0 16 9 2 0 17 10 1 0 18 10 1 0 19 14 1 0 20 16 1 0 15 17 1 0 4 6 1 0 20 13 2 0 12 19 2 0 M END > 66217 > J. Med. Chem. 34(7)-1991 2231-2241 > HIV-1RT > 6.3665 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 -4.9300 -3.7369 0.0000 C 0 0 -4.9402 -5.2369 0.0000 N 0 0 -6.2240 -2.9782 0.0000 N 0 0 -6.2443 -5.9781 0.0000 C 0 0 -7.5281 -3.7194 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -3.6267 -2.9927 0.0000 S 0 0 -2.3155 -0.7475 0.0000 C 0 0 -7.5383 -5.2194 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 -3.6187 -1.4919 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -6.2524 -7.1781 0.0000 N 0 0 -8.5633 -3.1124 0.0000 Cl 0 0 -4.6549 -0.8867 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 2 0 6 8 2 0 7 1 1 0 8 15 1 0 9 5 1 0 10 11 2 0 11 8 1 0 12 10 1 0 13 17 2 0 14 12 1 0 15 7 1 0 16 6 1 0 17 10 1 0 18 4 1 0 19 5 1 0 20 15 1 0 9 4 2 0 16 12 2 0 13 14 1 0 M END > 122261 > J. Med. Chem. 41(9)-1998 1357-1360 > HIV-1RT > 6.4437 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 7.0567 2.6752 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 8.5566 2.6924 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 7.0864 0.0773 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 9.3214 1.4020 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 6.4449 3.7076 0.0000 O 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 9.3489 -1.1982 0.0000 C 0 0 8.7593 -2.2434 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 13 1 0 5 3 1 0 6 2 1 0 7 4 2 0 8 1 1 0 9 8 2 0 10 11 2 0 11 7 1 0 12 3 2 0 13 14 1 0 14 2 1 0 15 8 1 0 16 9 1 0 17 11 1 0 18 17 1 0 19 20 1 0 20 15 2 0 6 9 1 0 16 19 2 0 10 5 1 0 M END > 68597 > J. Med. Chem. 36(8)-1993 953-966 > HIV-1RT > 6.7520 $$$$ SciTegic07090714122D 20 21 0 0 0 0 999 V2000 -1.3070 5.2502 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.5205 6.1100 0.0000 C 0 0 -0.0031 3.0008 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0935 6.1100 0.0000 C 0 0 -2.0570 7.5366 0.0000 O 0 0 -2.3421 3.1476 0.0000 S 0 0 -0.5570 7.5366 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8990 -0.7455 0.0000 N 0 0 2.6003 -1.4977 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 5.2003 -1.4932 0.0000 O 0 0 -3.6596 5.7324 0.0000 C 0 0 6.2387 -0.8917 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 2 1 0 5 12 1 0 6 1 1 0 7 3 1 0 8 2 2 0 9 6 2 0 10 15 1 0 11 4 1 0 12 11 2 0 13 14 2 0 14 5 1 0 15 16 2 0 16 11 1 0 17 10 1 0 18 13 1 0 19 3 1 0 20 18 1 0 7 9 1 0 5 10 2 0 M END > 95387 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 7.1549 $$$$ SciTegic07090714122D 20 22 0 0 1 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 0.0048 -2.2026 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.5936 -2.2108 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 O 0 0 -1.2964 1.4973 0.0000 N 0 0 1.3061 -2.9503 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2.6074 -3.6980 0.0000 C 0 0 3.2807 -4.9499 0.0000 C 0 0 4.0280 -3.6493 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.6356 -1.6156 0.0000 F 0 0 -3.6301 -2.8155 0.0000 F 0 0 -2.5883 -3.4108 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1 2 1 6 3 6 1 0 4 1 1 0 5 1 1 0 6 1 1 0 7 3 1 0 8 2 3 0 9 5 1 0 10 8 1 0 11 10 1 0 12 10 1 0 13 3 2 0 14 4 1 0 15 4 1 0 16 4 1 0 17 5 2 0 18 9 2 0 19 17 1 0 20 19 2 0 7 9 1 0 20 18 1 0 11 12 1 0 M END > 95441 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 9.3206 $$$$ SciTegic07090714122D 20 22 0 0 0 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.5944 -2.2095 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 0.0056 -2.2014 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 -2.6271 -3.7092 0.0000 C 0 0 -3.8769 -1.4315 0.0000 C 0 0 0.0694 -3.3997 0.0000 C 0 0 -3.9421 -4.4308 0.0000 C 0 0 -5.1919 -2.1531 0.0000 C 0 0 -5.2245 -3.6527 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 3 1 0 5 1 1 0 6 2 1 0 7 2 2 0 8 1 1 0 9 3 2 0 10 6 2 0 11 7 1 0 12 1 1 0 13 11 2 0 14 11 1 0 15 8 2 0 16 8 1 0 17 12 1 0 18 15 1 0 19 16 2 0 20 19 1 0 4 6 1 0 20 18 2 0 13 10 1 0 M END > 95431 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 9.5229 $$$$ SciTegic07090714122D 21 23 0 0 1 0 999 V2000 -3.5979 -0.3950 0.0000 N 0 0 -4.9672 0.2693 0.0000 C 0 0 -2.3886 0.5587 0.0000 C 0 0 -0.8855 0.1804 0.0000 C 0 0 -4.2726 2.4146 0.0000 N 0 0 -2.8010 2.0339 0.0000 C 0 0 -0.9892 -2.5674 0.0000 N 0 0 -0.3007 -1.2248 0.0000 C 0 0 -3.6464 -1.8986 0.0000 C 0 0 -2.4838 -2.8925 0.0000 C 0 0 2 0 0 0 0.1374 1.2944 0.0000 C 0 0 -6.0711 -0.2013 0.0000 O 0 0 -0.0654 -3.7527 0.0000 C 0 0 1.4211 -3.5465 0.0000 C 0 0 -1.7370 3.1067 0.0000 C 0 0 2.3438 -4.7301 0.0000 C 0 0 -0.2727 2.7382 0.0000 C 0 0 -2.7767 -4.0562 0.0000 C 0 0 1.3049 1.0173 0.0000 C 0 0 1.8938 -5.8425 0.0000 C 0 0 3.5323 -4.5641 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 2 1 0 6 3 1 0 7 10 1 0 8 4 1 0 9 1 1 0 10 9 1 0 11 4 1 0 12 2 2 0 13 7 1 0 14 13 1 0 15 6 2 0 16 14 2 0 17 15 1 0 10 18 1 1 19 11 1 0 20 16 1 0 21 16 1 0 5 6 1 0 8 7 1 0 17 11 2 0 M END > 122865 > J. Med. Chem. 41(26)-1998 5272-5286 > HIV-1RT > 3.0048 $$$$ SciTegic07090714122D 21 23 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 4.2568 0.5878 0.0000 C 0 0 4.9531 -1.9978 0.0000 S 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 4.2010 -3.2956 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 1.8365 -3.7777 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.0577 1.3835 0.0000 F 0 0 6.5446 0.0695 0.0000 F 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 5.1020 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 2 1 0 5 1 1 0 6 1 1 0 7 6 1 0 8 5 1 0 9 3 1 0 10 3 2 0 11 5 2 0 12 6 2 0 13 7 2 0 14 17 2 0 15 9 1 0 16 10 1 0 17 12 1 0 18 14 1 0 19 21 2 0 20 9 2 0 21 10 1 0 8 4 1 0 14 13 1 0 20 19 1 0 M END > 107261 > J. Med. Chem. 45(24)-2002 5410-5413 > HIV-1RT > 4.1739 $$$$ SciTegic07090714122D 21 23 0 0 0 0 999 V2000 6.0509 6.0979 0.0000 N 0 0 5.5858 4.6718 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 5.0484 7.2137 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 6.3878 3.7792 0.0000 O 0 0 2.5755 8.0178 0.0000 C 0 0 5.4204 8.3546 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 1.4018 7.7679 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 6 1 0 6 4 2 0 7 13 1 0 8 9 1 0 9 7 2 0 10 7 1 0 11 3 1 0 12 10 2 0 13 11 1 0 14 2 2 0 15 6 1 0 16 4 1 0 17 10 1 0 18 12 1 0 19 15 1 0 20 17 2 0 21 20 1 0 3 5 2 0 8 12 1 0 18 21 2 0 M END > 11821 > J. Med. Chem. 35(21)-1992 3792-3802 > HIV-1RT > 4.6478 $$$$ SciTegic07090714122D 21 24 0 0 0 0 999 V2000 -0.9000 -0.9600 0.0000 C 0 0 0.7200 -0.9600 0.0000 N 0 0 -0.1400 2.4200 0.0000 N 0 0 -1.9100 0.4100 0.0000 C 0 0 -1.5700 1.6900 0.0000 C 0 0 1.2400 1.7400 0.0000 C 0 0 -1.2900 -2.4500 0.0000 N 0 0 1.5800 0.2500 0.0000 C 0 0 1.1800 -2.3600 0.0000 C 0 0 0.0000 -3.3300 0.0000 C 0 0 -2.6400 2.9000 0.0000 N 0 0 2.3600 2.7900 0.0000 N 0 0 -0.1277 3.9217 0.0000 C 0 0 -3.4200 0.0000 0.0000 C 0 0 3.0400 -0.2100 0.0000 C 0 0 0.0536 -4.5288 0.0000 C 0 0 -4.1300 2.4900 0.0000 C 0 0 3.8400 2.3100 0.0000 C 0 0 0.9162 4.5135 0.0000 C 0 0 -4.5300 0.9900 0.0000 C 0 0 4.1800 0.8400 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 1 1 0 5 4 2 0 6 8 2 0 7 1 2 0 8 2 1 0 9 2 1 0 10 7 1 0 11 5 1 0 12 6 1 0 13 3 1 0 14 4 1 0 15 8 1 0 16 10 1 0 17 20 1 0 18 21 1 0 19 13 1 0 20 14 2 0 21 15 2 0 10 9 2 0 6 3 1 0 11 17 2 0 12 18 2 0 M END > 143246 > J. Med. Chem. 39(8)-1996 1645-1650 > HIV-1RT > 4.9508 $$$$ SciTegic07090714122D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 0.0000 2.7000 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -3.8939 0.7546 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 -5.1903 1.5090 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 3 1 0 5 2 1 0 6 4 2 0 7 1 1 0 8 5 2 0 9 4 1 0 10 7 1 0 11 9 1 0 12 11 1 0 13 11 2 0 14 10 1 0 15 10 1 0 16 13 1 0 17 12 2 0 18 15 1 0 19 14 1 0 20 18 1 0 21 16 2 0 6 5 1 0 20 19 1 0 21 17 1 0 M END > 24974 > J. Med. Chem. 38(17)-1995 3258-3263 > HIV-1RT > 5.5229 $$$$ SciTegic07090714122D 22 25 0 0 1 0 999 V2000 -0.4100 2.0900 0.0000 N 0 0 -0.7200 3.5800 0.0000 C 0 0 -1.6300 1.1500 0.0000 C 0 0 -2.9700 3.4300 0.0000 N 0 0 -5.5599 -1.1201 0.0000 N 0 0 -2.9600 1.9100 0.0000 C 0 0 -1.6300 -0.4000 0.0000 C 0 0 1.0600 -0.9700 0.0000 N 0 0 -4.2600 -0.3700 0.0000 C 0 0 1.0600 1.7700 0.0000 C 0 0 -4.2600 1.1400 0.0000 C 0 0 -0.4100 -1.3100 0.0000 C 0 0 -2.9600 -1.1200 0.0000 C 0 0 1.7400 0.4000 0.0000 C 0 0 2 0 0 0 1.9840 -2.1552 0.0000 C 0 0 1.4211 -3.5465 0.0000 C 0 0 0.0058 4.5356 0.0000 O 0 0 -6.5994 -0.5205 0.0000 O 0 0 -5.5598 -2.3201 0.0000 O 0 0 1.6606 -4.9477 0.0000 C 0 0 0.2713 -4.3823 0.0000 C 0 0 2.9400 0.4000 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 9 1 0 6 3 1 0 7 3 2 0 8 14 1 0 9 13 2 0 10 1 1 0 11 6 2 0 12 7 1 0 13 7 1 0 14 10 1 0 15 8 1 0 16 15 1 0 17 2 2 0 18 5 2 0 19 5 2 0 20 16 1 0 21 16 1 0 14 22 1 6 4 6 1 0 8 12 1 0 11 9 1 0 21 20 1 0 M END > 95530 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 4.4759 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 9.3749 -3.8197 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 8.6146 -2.5267 0.0000 C 0 0 8.6352 -5.1247 0.0000 C 0 0 6.3749 -3.8435 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 7.1352 -5.1365 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 9.2064 -1.4827 0.0000 O 0 0 6.3513 -1.2462 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 6.3924 -6.4407 0.0000 C 0 0 9.2434 -6.1591 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 5.1924 -6.4485 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 8 2 0 3 1 1 0 4 1 1 0 5 7 1 0 6 3 1 0 7 4 2 0 8 14 1 0 9 8 1 0 10 2 1 0 11 9 1 0 12 3 2 0 13 6 1 0 14 17 1 0 15 7 1 0 16 4 1 0 17 13 1 0 18 10 1 0 19 11 1 0 20 15 1 0 21 18 2 0 22 19 2 0 5 6 2 0 11 10 2 0 22 21 1 0 M END > 68587 > J. Med. Chem. 36(8)-1993 953-966 > HIV-1RT > 4.7959 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 -3.8669 -7.5130 0.0000 N 0 0 -3.8757 -6.0130 0.0000 C 0 0 -2.5812 -5.2552 0.0000 C 0 0 -2.5634 -8.2553 0.0000 C 0 0 -1.2777 -5.9976 0.0000 C 0 0 -1.2688 -7.4976 0.0000 C 0 0 -2.5870 -3.7544 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -4.9185 -5.4192 0.0000 O 0 0 -1.2907 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0369 -8.2376 0.0000 C 0 0 -2.5563 -9.4552 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.0717 -7.6300 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 6 1 0 6 4 2 0 7 3 1 0 8 11 1 0 9 2 2 0 10 7 1 0 11 10 1 0 12 8 2 0 13 6 1 0 14 4 1 0 15 18 1 0 16 8 1 0 17 15 1 0 18 11 1 0 19 12 1 0 20 13 1 0 21 16 2 0 22 21 1 0 3 5 2 0 12 17 1 0 22 19 2 0 M END > 11818 > J. Med. Chem. 35(21)-1992 3792-3802 > HIV-1RT > 5.0223 $$$$ SciTegic07090714122D 22 26 0 0 1 0 999 V2000 0.0100 -0.5200 0.0000 C 0 0 1 0 0 0 0.8000 1.0800 0.0000 C 0 0 1 0 0 0 -1.3400 -1.2900 0.0000 C 0 0 2.3300 0.3400 0.0000 C 0 0 1.3100 -1.2400 0.0000 C 0 0 -1.3200 0.8100 0.0000 C 0 0 -2.2000 0.0900 0.0000 C 0 0 2.7800 -1.2900 0.0000 C 0 0 -1.6341 -2.4534 0.0000 O 0 0 3.2518 1.1083 0.0000 O 0 0 -0.9300 1.3400 0.0000 C 0 0 0.1500 1.9800 0.0000 C 0 0 0.3700 3.2700 0.0000 C 0 0 -0.9400 3.1800 0.0000 C 0 0 0.5500 -2.4900 0.0000 C 0 0 -1.5100 1.9300 0.0000 C 0 0 3.4800 -2.5700 0.0000 C 0 0 -3.2700 0.4900 0.0000 C 0 0 -2.5700 2.3300 0.0000 C 0 0 1.2400 -3.7800 0.0000 C 0 0 -3.4400 1.6100 0.0000 C 0 0 2.7100 -3.8300 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 1 0 6 2 1 0 7 3 1 0 8 5 2 0 9 3 2 0 10 4 2 0 1 11 1 1 2 12 1 1 13 14 2 0 14 11 1 0 15 5 1 0 16 6 1 0 17 8 1 0 18 7 1 0 19 16 2 0 20 15 2 0 21 18 2 0 22 20 1 0 4 8 1 0 6 7 2 0 13 12 1 0 17 22 2 0 21 19 1 0 M END > 68306 > J. Med. Chem. 36(6)-1993 726-732 > HIV-1RT > 5.0605 $$$$ SciTegic07090714122D 22 26 0 0 0 0 999 V2000 -0.1400 2.4200 0.0000 N 0 0 -0.9000 -0.9600 0.0000 N 0 0 0.7200 -0.9600 0.0000 C 0 0 1.2400 1.7400 0.0000 C 0 0 -1.5700 1.6900 0.0000 C 0 0 1.5800 0.2500 0.0000 C 0 0 -1.9100 0.4100 0.0000 C 0 0 -0.1506 3.9207 0.0000 C 0 0 1.1800 -2.3600 0.0000 N 0 0 -2.6400 2.9000 0.0000 N 0 0 -0.9681 5.0869 0.0000 C 0 0 0.5296 5.1704 0.0000 C 0 0 2.3600 2.7900 0.0000 N 0 0 -1.2900 -2.4500 0.0000 C 0 0 0.0000 -3.3300 0.0000 C 0 0 -3.4200 0.0000 0.0000 C 0 0 3.0400 -0.2100 0.0000 C 0 0 -4.1300 2.4900 0.0000 C 0 0 3.8400 2.3100 0.0000 C 0 0 -4.5300 0.9900 0.0000 C 0 0 -3.6954 -1.1680 0.0000 C 0 0 4.1800 0.8400 0.0000 C 0 0 2 7 1 0 3 6 1 0 4 1 1 0 5 1 1 0 6 4 2 0 7 5 2 0 8 1 1 0 9 3 2 0 10 5 1 0 11 8 1 0 12 8 1 0 13 4 1 0 14 2 1 0 15 14 2 0 16 7 1 0 17 6 1 0 18 10 2 0 19 13 2 0 20 18 1 0 21 16 1 0 22 19 1 0 12 11 1 0 2 3 1 0 20 16 2 0 17 22 2 0 9 15 1 0 M END > 143245 > J. Med. Chem. 39(8)-1996 1645-1650 > HIV-1RT > 5.6882 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 8.5559 2.6972 0.0000 N 0 0 7.0552 2.6770 0.0000 C 0 0 9.2896 4.0065 0.0000 C 0 0 10.7894 4.0289 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 6.4416 3.7083 0.0000 S 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 6.3215 1.3677 0.0000 N 0 0 11.5200 5.3389 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 10.7508 6.6267 0.0000 C 0 0 8.5204 5.2943 0.0000 C 0 0 11.3353 7.6747 0.0000 Br 0 0 9.2510 6.6044 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 2 2 0 6 7 1 0 7 16 1 0 8 6 1 0 9 8 2 0 10 1 1 0 11 7 2 0 12 5 1 0 13 4 1 0 14 13 2 0 15 12 2 0 16 18 1 0 17 9 1 0 18 10 1 0 19 22 1 0 20 8 1 0 21 19 1 0 22 20 2 0 4 5 1 0 15 14 1 0 17 19 2 0 M END > 33791 > J. Med. Chem. 39(21)-1996 4261-4274 > HIV-1RT > 5.6990 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 -1.2876 2.9981 0.0000 S 0 0 0.0161 3.7416 0.0000 C 0 0 1.3112 2.9847 0.0000 C 0 0 -2.5838 3.7547 0.0000 C 0 0 1.3032 1.4839 0.0000 C 0 0 -2.5680 5.2517 0.0000 C 0 0 1.2968 0.2839 0.0000 N 0 0 -1.2936 1.7981 0.0000 O 0 0 -0.2515 2.3928 0.0000 O 0 0 2.6142 3.7278 0.0000 C 0 0 -3.8567 6.0140 0.0000 C 0 0 3.6502 3.1223 0.0000 N 0 0 0.0241 5.2416 0.0000 C 0 0 -3.8975 3.0043 0.0000 C 0 0 -1.2636 5.9863 0.0000 C 0 0 1.3271 5.9847 0.0000 C 0 0 -5.1862 3.7667 0.0000 C 0 0 2.6221 5.2278 0.0000 C 0 0 -5.1611 5.2794 0.0000 C 0 0 -3.8409 7.5110 0.0000 C 0 0 -1.2479 7.4832 0.0000 C 0 0 -2.5365 8.2456 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 3 1 0 6 4 1 0 7 5 3 0 8 1 2 0 9 1 2 0 10 3 2 0 11 6 1 0 12 10 1 0 13 2 2 0 14 4 2 0 15 6 2 0 16 13 1 0 17 14 1 0 18 16 2 0 19 17 2 0 20 11 2 0 21 15 1 0 22 21 2 0 11 19 1 0 10 18 1 0 22 20 1 0 M END > 86914 > J. Med. Chem. 44(12)-2001 1866-1882 > HIV-1RT > 6.0000 $$$$ SciTegic07090714122D 22 26 0 0 0 0 999 V2000 0.3010 0.3704 0.0000 C 0 0 0.7825 -1.0048 0.0000 N 0 0 2.2688 -1.0186 0.0000 C 0 0 1.5048 1.2733 0.0000 C 0 0 -0.1736 1.7942 0.0000 C 0 0 2.7087 0.4399 0.0000 C 0 0 -1.6454 2.1012 0.0000 C 0 0 -1.2039 0.3704 0.0000 S 0 0 2.9799 -1.9852 0.0000 O 0 0 -2.1251 3.5172 0.0000 C 0 0 -0.4399 -1.9215 0.0000 C 0 0 -1.6437 -1.0881 0.0000 C 0 0 0.8239 2.9378 0.0000 C 0 0 1.6252 2.8105 0.0000 C 0 0 4.1024 1.0511 0.0000 C 0 0 -2.8460 1.2132 0.0000 C 0 0 0.3442 4.3538 0.0000 C 0 0 -4.0551 2.0548 0.0000 C 0 0 -1.1448 4.6578 0.0000 C 0 0 -3.6182 3.4926 0.0000 C 0 0 3.0004 3.4078 0.0000 C 0 0 4.0977 2.7550 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 1 0 6 4 1 0 7 5 2 0 8 1 1 0 9 3 2 0 10 7 1 0 11 2 1 0 12 8 1 0 13 5 1 0 14 4 2 0 15 6 2 0 16 7 1 0 17 13 2 0 18 16 1 0 19 17 1 0 20 10 1 0 21 14 1 0 22 21 2 0 12 11 1 0 3 6 1 0 19 10 2 0 20 18 1 0 22 15 1 0 M END > 71165 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 6.0458 $$$$ SciTegic07090714122D 22 25 0 0 0 0 999 V2000 2.4219 1.7563 0.0000 C 0 0 0.8689 -1.3311 0.0000 N 0 0 3.0874 0.3143 0.0000 C 0 0 2.3849 -1.0353 0.0000 C 0 0 0.9429 2.0521 0.0000 O 0 0 0.0000 -0.3882 0.0000 C 0 0 0.0000 1.1277 0.0000 C 0 0 1.8352 3.1119 0.0000 C 0 0 0.3800 3.4189 0.0000 S 0 0 0.6840 -2.8471 0.0000 C 0 0 -1.3126 -1.1462 0.0000 N 0 0 3.1059 -2.4034 0.0000 C 0 0 4.2871 0.2858 0.0000 O 0 0 2.0706 -3.4942 0.0000 C 0 0 2.6074 4.3829 0.0000 C 0 0 0.2388 4.9123 0.0000 C 0 0 1.6154 5.5080 0.0000 C 0 0 3.8764 1.5013 0.0000 C 0 0 -1.3126 1.8857 0.0000 C 0 0 -2.6437 -0.3882 0.0000 C 0 0 4.6738 2.3981 0.0000 C 0 0 -2.6437 1.1277 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 3 1 0 5 1 1 0 6 7 2 0 7 5 1 0 8 1 1 0 9 8 1 0 10 2 1 0 11 6 1 0 12 4 2 0 13 3 2 0 14 12 1 0 15 8 2 0 16 9 1 0 17 15 1 0 18 1 1 0 19 7 1 0 20 22 1 0 21 18 1 0 22 19 2 0 17 16 2 0 2 6 1 0 10 14 2 0 20 11 2 0 M END > 54375 > J. Med. Chem. 42(21)-1999 4462-4470 > HIV-1RT > 6.3233 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 6.0553 6.0958 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 5.5870 4.6698 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 7.5241 6.4042 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 7.9941 7.8286 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 6.3875 3.7758 0.0000 S 0 0 4.1182 4.3614 0.0000 N 0 0 9.4627 8.1339 0.0000 C 0 0 10.4614 7.0146 0.0000 C 0 0 8.5228 5.2849 0.0000 C 0 0 11.6363 7.2588 0.0000 Br 0 0 9.9914 5.5902 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 5 2 0 5 18 1 0 6 1 1 0 7 5 1 0 8 6 2 0 9 7 2 0 10 3 2 0 11 3 1 0 12 8 1 0 13 16 1 0 14 6 1 0 15 13 1 0 16 14 2 0 17 11 1 0 18 17 1 0 19 7 1 0 20 9 1 0 21 19 2 0 22 21 1 0 12 13 2 0 2 9 1 0 20 22 2 0 M END > 33789 > J. Med. Chem. 39(21)-1996 4261-4274 > HIV-1RT > 6.4949 $$$$ SciTegic07090714122D 22 25 0 0 0 0 999 V2000 7.0554 2.6530 0.0000 C 0 0 8.5514 2.6569 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 7.7125 4.0148 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 7.1008 0.0885 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 9.2930 1.3764 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 8.5580 0.0922 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 4.8208 1.3475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 6.5144 -0.9585 0.0000 O 0 0 4.0872 0.0382 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -0.9991 2.7132 0.0000 Cl 0 0 -0.9991 -2.7132 0.0000 Cl 0 0 10.4930 1.3795 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 9 1 0 6 3 1 0 7 11 1 0 8 2 2 0 9 12 2 0 10 6 1 0 11 12 1 0 12 17 1 0 13 3 1 0 14 5 1 0 15 7 1 0 16 6 2 0 17 13 1 0 18 15 2 0 19 14 2 0 20 15 1 0 21 14 1 0 22 8 1 0 2 4 1 0 8 10 1 0 7 5 2 0 18 19 1 0 M END > 11858 > J. Med. Chem. 35(21)-1992 3792-3802 > HIV-1RT > 6.9469 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 -0.7481 -4.2096 0.0000 C 0 0 0.7519 -4.2072 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5951 3.0039 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 3.8916 4.9570 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 2 1 0 5 6 1 0 6 3 1 0 7 3 1 0 8 1 1 0 9 7 1 0 10 7 1 0 11 4 2 0 12 6 2 0 13 2 1 0 14 8 1 0 15 13 1 0 16 15 1 0 17 14 1 0 18 14 2 0 19 16 1 0 20 17 2 0 21 18 1 0 22 21 2 0 9 10 1 0 4 5 1 0 20 22 1 0 M END > 95501 > J. Med. Chem. 45(14)-2002 2970-2987 > HIV-1RT > 7.0000 $$$$ SciTegic07090714122D 22 24 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -3.9114 3.0001 0.0000 C 0 0 -5.2108 3.7494 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -6.5102 2.9984 0.0000 C 0 0 -7.5491 2.3978 0.0000 N 0 0 -4.9497 0.8990 0.0000 O 0 0 -4.9500 2.0989 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -5.2115 5.2494 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -6.2511 5.8489 0.0000 N 0 0 -2.6127 3.7507 0.0000 C 0 0 -2.6135 5.2507 0.0000 C 0 0 -3.9129 6.0001 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 3 1 0 6 5 3 0 7 1 2 0 8 1 2 0 9 4 2 0 10 3 1 0 11 9 1 0 12 4 1 0 13 14 1 0 14 12 2 0 15 10 1 0 16 2 1 0 17 16 2 0 18 17 1 0 19 11 2 0 20 13 2 0 21 19 1 0 22 20 1 0 13 11 1 0 18 10 2 0 21 22 2 0 M END > 86915 > J. Med. Chem. 44(12)-2001 1866-1882 > HIV-1RT > 7.5229 $$$$ SciTegic07090714122D 22 25 0 0 0 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 0.0048 -2.2026 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.3061 -2.9503 0.0000 C 0 0 -2.5936 -2.2108 0.0000 C 0 0 2.6074 -3.6980 0.0000 C 0 0 2.7482 -5.1786 0.0000 N 0 0 -3.2902 -3.4499 0.0000 C 0 0 -4.0131 -2.1356 0.0000 C 0 0 3.9574 -3.0742 0.0000 S 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 4.2161 -5.4874 0.0000 C 0 0 4.9634 -4.1868 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 1 1 0 6 4 1 0 7 3 1 0 8 2 3 0 9 1 1 0 10 8 1 0 11 10 2 0 12 9 1 0 13 9 1 0 14 10 1 0 15 3 2 0 16 4 2 0 17 11 1 0 18 14 1 0 19 7 2 0 20 15 1 0 21 20 2 0 22 20 1 0 12 13 1 0 7 6 1 0 21 19 1 0 17 18 2 0 M END > 18224 > J. Med. Chem. 37(15)-1994 2437-2444 > HIV-1RT > 7.9626 $$$$ SciTegic07090714122D 23 27 0 0 0 0 999 V2000 -2.9200 0.0000 0.0000 C 0 0 -2.9200 -1.5700 0.0000 N 0 0 -1.7100 -2.3500 0.0000 C 0 0 -0.5200 0.0000 0.0000 C 0 0 -0.5200 -1.5700 0.0000 C 0 0 -4.0500 0.6900 0.0000 S 0 0 0.6700 0.7600 0.0000 C 0 0 0.6700 -2.3500 0.0000 C 0 0 -2.5138 1.4447 0.0000 C 0 0 -1.7054 -3.5500 0.0000 O 0 0 -5.1300 -1.5600 0.0000 C 0 0 1.8800 0.0000 0.0000 C 0 0 1.8800 -1.5700 0.0000 C 0 0 -5.1300 0.0000 0.0000 C 0 0 0.6700 2.4200 0.0000 C 0 0 -1.0602 1.8151 0.0000 C 0 0 -3.5613 2.5183 0.0000 C 0 0 3.0800 0.7600 0.0000 C 0 0 1.8800 3.2000 0.0000 C 0 0 -3.1553 3.9624 0.0000 C 0 0 -0.6542 3.2591 0.0000 C 0 0 3.0800 2.4200 0.0000 C 0 0 -1.7018 4.3327 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 2 0 6 1 1 0 7 4 1 0 8 5 1 0 9 1 1 0 10 3 2 0 11 2 1 0 12 7 1 0 13 12 1 0 14 6 1 0 15 7 2 0 16 9 2 0 17 9 1 0 18 12 2 0 19 15 1 0 20 17 2 0 21 16 1 0 22 19 2 0 23 20 1 0 14 11 1 0 3 5 1 0 23 21 2 0 8 13 2 0 18 22 1 0 M END > 71200 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 4.5850 $$$$ SciTegic07090714122D 23 27 0 0 0 0 999 V2000 0.5914 -1.3419 0.0000 N 0 0 -0.2274 0.0000 0.0000 C 0 0 -0.2274 -2.5474 0.0000 C 0 0 -1.6831 -0.5914 0.0000 C 0 0 -1.6831 -2.0925 0.0000 C 0 0 -3.0023 0.1137 0.0000 C 0 0 -3.0023 -2.8658 0.0000 C 0 0 0.6369 1.0235 0.0000 S 0 0 -1.1088 1.2147 0.0000 C 0 0 -4.3215 -2.0925 0.0000 C 0 0 -4.3215 -0.5914 0.0000 C 0 0 0.1678 -3.6805 0.0000 O 0 0 2.0470 -0.8870 0.0000 C 0 0 2.0470 0.5231 0.0000 C 0 0 -5.6407 0.1137 0.0000 C 0 0 -5.6407 -2.8658 0.0000 C 0 0 -2.6007 1.0588 0.0000 C 0 0 -0.4979 2.5846 0.0000 C 0 0 -6.9599 -2.0925 0.0000 C 0 0 -6.9599 -0.5914 0.0000 C 0 0 -3.4816 2.2729 0.0000 C 0 0 -1.3788 3.7987 0.0000 C 0 0 -2.8707 3.6428 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 4 2 0 7 5 2 0 8 2 1 0 9 2 1 0 10 7 1 0 11 6 1 0 12 3 2 0 13 1 1 0 14 13 1 0 15 11 2 0 16 10 2 0 17 9 1 0 18 9 2 0 19 16 1 0 20 15 1 0 21 17 2 0 22 18 1 0 23 22 2 0 8 14 1 0 5 4 1 0 11 10 1 0 23 21 1 0 19 20 2 0 M END > 71199 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 5.0000 $$$$ SciTegic07090714122D 23 26 0 0 1 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0048 -2.2026 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.5936 -2.2108 0.0000 C 0 0 1.3061 -2.9503 0.0000 C 0 0 -3.2902 -3.4499 0.0000 C 0 0 -4.0131 -2.1356 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 2.6105 -5.1980 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.6074 -3.6980 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 3.9111 -5.9453 0.0000 C 0 0 3.9049 -2.9453 0.0000 C 0 0 5.2086 -5.1926 0.0000 C 0 0 5.2055 -3.6926 0.0000 C 0 0 1 2 1 1 3 1 1 0 4 5 1 0 5 1 1 0 6 4 1 0 7 3 1 0 1 8 1 6 9 2 3 0 10 8 1 0 11 8 1 0 12 3 2 0 13 4 2 0 14 16 2 0 15 7 2 0 16 9 1 0 17 12 1 0 18 17 2 0 19 17 1 0 20 14 1 0 21 16 1 0 22 23 1 0 23 21 2 0 10 11 1 0 7 6 1 0 18 15 1 0 20 22 2 0 M END > 18227 > J. Med. Chem. 37(15)-1994 2437-2444 > HIV-1RT > 5.0315 $$$$ SciTegic07090714122D 23 25 0 0 1 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 1 0 0 0 4.0197 -1.4569 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 3.2676 -2.7548 0.0000 C 0 0 5.2762 0.8088 0.0000 C 0 0 6.5640 1.5795 0.0000 N 0 0 5.2988 -0.6918 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 6.5414 3.0802 0.0000 C 0 0 7.8275 3.8524 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 4.2279 1.3928 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 7.8018 5.3522 0.0000 C 0 0 6.4902 6.0798 0.0000 C 0 0 0.0000 -2.7000 0.0000 F 0 0 5.2298 3.8080 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 6.4696 7.2797 0.0000 Cl 0 0 5.2041 5.3078 0.0000 C 0 0 2 1 1 0 1 3 1 6 4 1 1 0 5 7 1 0 6 5 1 0 2 7 1 6 8 3 2 0 9 6 1 0 10 9 1 0 11 3 1 0 12 8 1 0 13 5 2 0 14 11 2 0 15 14 1 0 16 8 1 0 17 10 2 0 18 23 2 0 19 11 1 0 20 9 2 0 21 12 1 0 22 18 1 0 23 20 1 0 4 2 1 0 12 15 2 0 17 18 1 0 M END > 54041 > J. Med. Chem. 42(20)-1999 4150-4160 > HIV-1RT > 5.3665 $$$$ SciTegic07090714122D 23 26 0 0 0 0 999 V2000 1.9399 -1.3543 0.0000 C 0 0 0.6405 0.8968 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 -2.0863 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 4.5131 -4.3792 0.0000 C 0 0 3.2328 -2.1163 0.0000 N 0 0 3.2202 -3.6171 0.0000 N 0 0 0.9517 2.3608 0.0000 C 0 0 3.0746 1.1530 0.0000 C 0 0 4.5006 -5.8800 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 5.7917 -6.6436 0.0000 N 0 0 5.5576 -3.7883 0.0000 O 0 0 -1.9399 0.8968 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 5.7760 -8.1435 0.0000 C 0 0 3.1937 -6.6165 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 4.4693 -8.8799 0.0000 C 0 0 3.1781 -8.1164 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 2 0 6 4 1 0 7 9 1 0 8 1 1 0 9 8 1 0 10 2 1 0 11 3 2 0 12 7 1 0 13 11 1 0 14 12 2 0 15 7 2 0 16 5 1 0 17 6 1 0 18 14 1 0 19 12 1 0 20 21 1 0 21 17 2 0 22 23 1 0 23 19 2 0 5 2 1 0 10 13 2 0 20 16 2 0 22 18 2 0 M END > 84834 > J. Med. Chem. 44(3)-2001 305-315 > HIV-1RT > 5.3979 $$$$ SciTegic07090714122D 23 26 0 0 0 0 999 V2000 0.8689 -1.3311 0.0000 N 0 0 2.3849 -1.0353 0.0000 C 0 0 3.0874 0.3143 0.0000 C 0 0 2.4219 1.7563 0.0000 C 0 0 0.9429 2.0521 0.0000 O 0 0 0.0000 -0.3882 0.0000 C 0 0 0.0000 1.1277 0.0000 C 0 0 0.6840 -2.8471 0.0000 C 0 0 -1.3126 -1.1462 0.0000 N 0 0 3.1059 -2.4034 0.0000 C 0 0 4.2871 0.2858 0.0000 O 0 0 2.0706 -3.4942 0.0000 C 0 0 1.8352 3.1119 0.0000 C 0 0 3.8764 1.5013 0.0000 C 0 0 -1.3126 1.8857 0.0000 C 0 0 -2.6437 -0.3882 0.0000 C 0 0 0.3451 3.2843 0.0000 C 0 0 2.7295 4.3162 0.0000 C 0 0 4.6738 2.3981 0.0000 C 0 0 -2.6437 1.1277 0.0000 C 0 0 -0.2506 4.6609 0.0000 C 0 0 2.1337 5.6928 0.0000 C 0 0 0.6437 5.8651 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 7 1 0 6 1 1 0 7 6 2 0 8 1 1 0 9 6 1 0 10 2 2 0 11 3 2 0 12 8 2 0 13 4 1 0 14 4 1 0 15 7 1 0 16 9 2 0 17 13 2 0 18 13 1 0 19 14 1 0 20 16 1 0 21 17 1 0 22 18 2 0 23 22 1 0 12 10 1 0 4 5 1 0 15 20 2 0 23 21 2 0 M END > 54374 > J. Med. Chem. 42(21)-1999 4462-4470 > HIV-1RT > 5.3979 $$$$ SciTegic07090714122D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5205 6.1100 0.0000 N 0 0 -0.5570 7.5366 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.0935 6.1100 0.0000 O 0 0 -2.0570 7.5366 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -0.0031 3.0008 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 0.3251 8.7508 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 0.0000 -2.7000 0.0000 C 0 0 1.8194 8.7059 0.0000 C 0 0 -0.3914 10.0705 0.0000 C 0 0 -3.6387 -0.8963 0.0000 C 0 0 2.6073 9.9824 0.0000 C 0 0 0.3964 11.3470 0.0000 C 0 0 1.8958 11.3029 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 8 1 0 6 11 2 0 7 9 1 0 8 4 2 0 9 11 1 0 10 6 1 0 11 15 1 0 12 3 1 0 13 2 2 0 14 7 1 0 15 12 1 0 16 8 1 0 17 4 1 0 18 14 2 0 19 14 1 0 20 16 1 0 21 18 1 0 22 19 2 0 23 22 1 0 3 5 2 0 7 10 2 0 21 23 2 0 M END > 11812 > J. Med. Chem. 35(21)-1992 3792-3802 > HIV-1RT > 5.6289 $$$$ SciTegic07090714122D 23 27 0 0 1 0 999 V2000 0.3010 0.3704 0.0000 C 0 0 1 0 0 0 0.7408 -1.0186 0.0000 N 0 0 -0.4399 -1.9215 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 -0.1736 1.7942 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 1.5048 1.2733 0.0000 S 0 0 0.8259 2.9099 0.0000 C 0 0 -0.4288 -3.1215 0.0000 O 0 0 2.2688 -1.0186 0.0000 C 0 0 0.3595 4.3327 0.0000 C 0 0 2.7318 0.3704 0.0000 C 0 0 -1.6553 2.0965 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 2.2910 2.6024 0.0000 C 0 0 -2.1217 3.5193 0.0000 C 0 0 -1.1057 4.6402 0.0000 C 0 0 1.3582 5.4479 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 3.2897 3.7176 0.0000 C 0 0 2.8233 5.1404 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 1 5 1 1 6 4 1 0 7 1 1 0 8 5 2 0 9 3 2 0 10 2 1 0 11 8 1 0 12 7 1 0 13 5 1 0 14 4 2 0 15 6 2 0 16 8 1 0 17 13 2 0 18 17 1 0 19 11 1 0 20 14 1 0 21 20 2 0 22 16 2 0 23 22 1 0 12 10 1 0 3 6 1 0 18 11 2 0 21 15 1 0 19 23 2 0 M END > 71142 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 6.8239 $$$$ SciTegic07090714122D 24 26 0 0 0 0 999 V2000 -0.1508 -7.4823 0.0000 C 0 0 -0.0083 -6.0019 0.0000 N 0 0 0.9651 -8.4820 0.0000 N 0 0 -1.6189 -7.7897 0.0000 C 0 0 -2.3649 -6.4883 0.0000 N 0 0 -1.3578 -5.3767 0.0000 C 0 0 3.8983 -0.7531 0.0000 C 0 0 4.0407 0.7274 0.0000 S 0 0 2.5977 -1.5021 0.0000 C 0 0 0.7194 -9.6566 0.0000 O 0 0 2.1053 -8.1079 0.0000 O 0 0 5.2477 -1.3783 0.0000 C 0 0 5.5089 1.0347 0.0000 C 0 0 6.2549 -0.2667 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2922 -5.2528 0.0000 C 0 0 2.5952 -3.0030 0.0000 O 0 0 -1.5967 -4.2007 0.0000 C 0 0 1.2947 -3.7520 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 4 1 0 6 2 1 0 7 9 1 0 8 7 1 0 9 17 1 0 10 3 2 0 11 3 2 0 12 7 2 0 13 8 1 0 14 12 1 0 15 9 1 0 16 2 1 0 17 19 1 0 18 6 1 0 19 16 1 0 20 15 1 0 21 15 2 0 22 20 2 0 23 21 1 0 24 23 2 0 5 6 2 0 13 14 2 0 22 24 1 0 M END > 152979 > J. Med. Chem. 48(13)-2005 4378-4388 > HIV-1RT > 4.5200 $$$$ SciTegic07090714122D 24 26 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 7.1918 8.7241 0.0000 O 0 0 9.4611 8.1385 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 7.5241 6.4042 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 10.0560 9.5016 0.0000 C 0 0 10.5498 7.1253 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 11.8523 7.8694 0.0000 C 0 0 11.5470 9.3380 0.0000 C 0 0 2 1 1 0 3 4 2 0 4 1 1 0 5 1 1 0 6 2 2 0 7 2 1 0 8 5 2 0 9 8 1 0 10 14 1 0 11 10 2 0 12 10 1 0 13 8 1 0 14 19 1 0 15 4 1 0 16 6 1 0 17 12 1 0 18 12 1 0 19 21 1 0 20 15 1 0 21 22 1 0 22 20 1 0 23 18 1 0 24 17 1 0 6 3 1 0 9 7 2 0 24 23 1 0 M END > 73466 > J. Med. Chem. 36(24)-1993 3784-3794 > HIV-1RT > 4.6576 $$$$ SciTegic07090714122D 24 27 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 1.6490 1.9290 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 2.1824 3.0039 0.0000 O 0 0 -0.3998 3.0084 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 -0.4519 -3.6092 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 -0.4700 -5.1091 0.0000 C 0 0 -1.7420 -2.8437 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.0499 -3.5781 0.0000 C 0 0 -1.7779 -5.8435 0.0000 C 0 0 -3.0679 -5.0780 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 7 1 0 5 3 2 0 6 1 1 0 7 6 2 0 8 1 1 0 9 3 1 0 10 2 2 0 11 4 1 0 12 5 1 0 13 8 1 0 14 6 1 0 15 7 1 0 16 9 2 0 17 13 1 0 18 13 2 0 19 16 1 0 20 21 1 0 21 14 2 0 22 18 1 0 23 17 2 0 24 22 2 0 2 4 1 0 20 15 2 0 12 19 2 0 24 23 1 0 M END > 66149 > J. Med. Chem. 34(7)-1991 2231-2241 > HIV-1RT > 5.0458 $$$$ SciTegic07090714122D 24 27 0 0 0 0 999 V2000 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.1244 1.9290 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 5.8955 -2.3231 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.3998 3.0084 0.0000 O 0 0 5.1180 0.0933 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 2.1824 3.0039 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 7.3489 -2.0053 0.0000 C 0 0 5.7141 -3.7992 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 7.0807 -4.4175 0.0000 C 0 0 8.0911 -3.3088 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 8 1 0 7 5 2 0 8 1 2 0 9 4 2 0 10 9 1 0 11 8 1 0 12 5 1 0 13 3 2 0 14 11 2 0 15 2 1 0 16 6 1 0 17 7 1 0 18 10 1 0 19 10 1 0 20 12 2 0 21 15 1 0 22 20 1 0 23 19 1 0 24 18 1 0 9 14 1 0 3 7 1 0 24 23 1 0 17 22 2 0 M END > 27334 > J. Med. Chem. 38(24)-1995 4830-4838 > HIV-1RT > 5.4202 $$$$ SciTegic07090714122D 24 26 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 2.1812 2.6271 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 9.4611 8.1385 0.0000 C 0 0 7.5241 6.4042 0.0000 O 0 0 7.9923 7.8301 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 9.9311 9.5630 0.0000 C 0 0 10.4598 7.0192 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 11.9284 7.3245 0.0000 C 0 0 11.3997 9.8682 0.0000 C 0 0 12.3984 8.7490 0.0000 C 0 0 2 1 1 0 3 4 2 0 4 1 1 0 5 1 1 0 6 2 2 0 7 2 1 0 8 5 2 0 9 8 1 0 10 8 1 0 11 4 1 0 12 6 1 0 13 15 1 0 14 16 1 0 15 14 1 0 16 20 1 0 17 13 1 0 18 13 2 0 19 11 1 0 20 21 1 0 21 19 1 0 22 18 1 0 23 17 2 0 24 22 2 0 6 3 1 0 9 7 2 0 24 23 1 0 M END > 73458 > J. Med. Chem. 36(24)-1993 3784-3794 > HIV-1RT > 5.6383 $$$$ SciTegic07090714122D 25 27 0 0 0 0 999 V2000 5.3273 -7.4917 0.0000 C 0 0 5.1894 -6.0109 0.0000 N 0 0 4.2083 -8.4880 0.0000 N 0 0 6.7945 -7.8036 0.0000 C 0 0 7.5445 -6.5046 0.0000 N 0 0 6.5408 -5.3899 0.0000 C 0 0 4.4504 -9.6633 0.0000 O 0 0 3.0693 -8.1104 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8982 -0.7550 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 6.7833 -4.2146 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.9030 0.7451 0.0000 C 0 0 5.1951 -1.5089 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.2044 1.4911 0.0000 C 0 0 6.4964 -0.7630 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 6.5011 0.7370 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 4 1 0 6 2 1 0 7 3 2 0 8 3 2 0 9 13 1 0 10 9 1 0 11 9 1 0 12 2 1 0 13 14 1 0 14 12 1 0 15 6 1 0 16 10 1 0 17 10 2 0 18 11 2 0 19 11 1 0 20 16 2 0 21 18 1 0 22 19 2 0 23 17 1 0 24 23 2 0 25 22 1 0 5 6 2 0 21 25 2 0 20 24 1 0 M END > 152982 > J. Med. Chem. 48(13)-2005 4378-4388 > HIV-1RT > 4.7825 $$$$ SciTegic07090714122D 25 28 0 0 0 0 999 V2000 -8.8770 2.6912 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -7.3770 2.6911 0.0000 C 0 0 -6.6269 1.3921 0.0000 C 0 0 -9.6270 1.3922 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -7.3771 0.0931 0.0000 C 0 0 -8.8771 0.0931 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 O 0 0 -5.1261 1.3890 0.0000 N 0 0 0.7168 -1.4214 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -6.7770 3.7304 0.0000 O 0 0 -4.3776 0.0882 0.0000 C 0 0 -9.6249 -1.2081 0.0000 C 0 0 -10.8270 1.3922 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 -9.0234 -2.2465 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 2 7 2 0 3 1 1 0 4 3 1 0 5 1 1 0 6 2 1 0 7 18 1 0 8 9 1 0 9 5 2 0 10 11 1 0 11 7 1 0 12 4 1 0 13 6 1 0 14 10 1 0 15 13 2 0 16 14 2 0 17 3 2 0 18 12 1 0 19 9 1 0 20 5 1 0 21 16 1 0 22 15 1 0 23 19 1 0 24 22 2 0 25 21 2 0 4 8 2 0 10 6 2 0 15 16 1 0 25 24 1 0 M END > 11819 > J. Med. Chem. 35(21)-1992 3792-3802 > HIV-1RT > 5.0000 $$$$ SciTegic07090714122D 25 28 0 0 0 0 999 V2000 0.9517 2.3608 0.0000 N 0 0 7.6875 6.4443 0.0000 N 0 0 0.6405 0.8968 0.0000 C 0 0 6.9443 5.1414 0.0000 C 0 0 5.4443 5.1334 0.0000 C 0 0 6.9306 7.7394 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 4.6875 6.4286 0.0000 C 0 0 5.4307 7.7315 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 O 0 0 -0.6588 0.1464 0.0000 C 0 0 4.6981 3.8312 0.0000 N 0 0 7.5498 4.1053 0.0000 O 0 0 1.9399 -1.3543 0.0000 C 0 0 3.1973 3.8254 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 4.6708 9.0258 0.0000 C 0 0 7.5252 8.7818 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 3.4708 9.0177 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 5 1 0 5 13 1 0 6 9 2 0 7 1 2 0 8 5 2 0 9 8 1 0 10 3 2 0 11 7 1 0 12 3 1 0 13 16 1 0 14 4 2 0 15 10 1 0 16 7 1 0 17 12 2 0 18 17 1 0 19 9 1 0 20 6 1 0 21 12 1 0 22 17 1 0 23 19 1 0 24 21 2 0 25 24 1 0 11 10 1 0 15 18 2 0 22 25 2 0 2 6 1 0 M END > 11814 > J. Med. Chem. 35(21)-1992 3792-3802 > HIV-1RT > 5.5686 $$$$ SciTegic07090714122D 25 28 0 0 0 0 999 V2000 1.9399 -1.3543 0.0000 C 0 0 0.6405 0.8968 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 -2.0863 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 4.5006 -5.8800 0.0000 N 0 0 4.5131 -4.3792 0.0000 C 0 0 3.2328 -2.1163 0.0000 N 0 0 5.7935 -6.6421 0.0000 C 0 0 5.7831 -8.1421 0.0000 N 0 0 0.9517 2.3608 0.0000 C 0 0 3.2202 -3.6171 0.0000 N 0 0 3.0746 1.1530 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 5.5576 -3.7883 0.0000 O 0 0 7.0769 -8.9011 0.0000 C 0 0 8.3811 -8.1602 0.0000 C 0 0 7.0978 -5.9012 0.0000 C 0 0 9.4161 -8.7675 0.0000 Br 0 0 8.3916 -6.6603 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 2 0 6 4 1 0 7 8 1 0 8 13 1 0 9 1 1 0 10 7 1 0 11 10 1 0 12 2 1 0 13 9 1 0 14 3 2 0 15 14 1 0 16 8 2 0 17 11 2 0 18 21 2 0 19 10 2 0 20 18 1 0 21 19 1 0 22 5 1 0 23 6 1 0 24 25 1 0 25 23 2 0 5 2 1 0 12 15 2 0 22 24 2 0 17 18 1 0 M END > 84832 > J. Med. Chem. 44(3)-2001 305-315 > HIV-1RT > 5.5850 $$$$ SciTegic07090714122D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 0.0000 2.7000 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 0.0000 -2.7000 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 5.1876 6.0124 0.0000 C 0 0 2.5895 6.0034 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 5.1824 7.5124 0.0000 C 0 0 2.5843 7.5034 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8807 8.2579 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 1 1 0 8 3 2 0 9 6 2 0 10 11 1 0 11 2 1 0 12 10 2 0 13 4 1 0 14 7 1 0 15 12 1 0 16 14 1 0 17 14 2 0 18 15 2 0 19 15 1 0 20 17 1 0 21 18 1 0 22 19 2 0 23 16 2 0 24 20 2 0 25 22 1 0 3 5 1 0 24 23 1 0 25 21 2 0 M END > 40434 > J. Med. Chem. 40(26)-1997 4257-4264 > HIV-1RT > 5.6021 $$$$ SciTegic07090714122D 25 29 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 5.7935 3.0155 0.0000 N 0 0 6.2684 4.4249 0.0000 N 0 0 3.3446 -1.7734 0.0000 N 0 0 1.6775 -4.0373 0.0000 C 0 0 0.1797 -4.1195 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.3568 2.5813 0.0000 C 0 0 8.1990 2.9540 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 6.9657 2.1002 0.0000 C 0 0 7.7680 4.3908 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 2 0 6 2 2 0 7 6 1 0 8 1 1 0 9 5 1 0 10 16 1 0 11 10 1 0 12 3 1 0 13 8 1 0 14 8 1 0 15 2 1 0 16 9 1 0 17 19 2 0 18 7 2 0 19 10 1 0 20 11 2 0 21 6 1 0 22 12 2 0 23 22 1 0 24 15 2 0 25 24 1 0 14 13 1 0 4 7 1 0 9 23 2 0 25 21 2 0 20 17 1 0 M END > 27389 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 5.6576 $$$$ SciTegic07090714122D 25 28 0 0 0 0 999 V2000 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.1244 1.9290 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 4.7913 -1.3067 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.3998 3.0084 0.0000 O 0 0 5.8955 -2.3231 0.0000 C 0 0 7.3255 -1.8685 0.0000 N 0 0 5.1180 0.0933 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 2.1824 3.0039 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 8.4340 -2.8792 0.0000 C 0 0 5.5750 -3.7884 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 8.1129 -4.3444 0.0000 C 0 0 6.6835 -4.7990 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 7 1 0 6 4 2 0 7 1 2 0 8 1 1 0 9 8 2 0 10 7 1 0 11 4 1 0 12 3 2 0 13 9 1 0 14 13 2 0 15 9 1 0 16 2 1 0 17 5 1 0 18 6 1 0 19 11 2 0 20 14 1 0 21 13 1 0 22 16 1 0 23 19 1 0 24 25 1 0 25 21 2 0 10 15 2 0 3 6 1 0 23 18 2 0 20 24 2 0 M END > 27370 > J. Med. Chem. 38(24)-1995 4830-4838 > HIV-1RT > 5.7959 $$$$ SciTegic07090714122D 25 28 0 0 0 0 999 V2000 8.5863 0.0945 0.0000 C 0 0 8.5566 2.6924 0.0000 N 0 0 7.0864 0.0773 0.0000 C 0 0 9.3214 1.4020 0.0000 C 0 0 7.0567 2.6752 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 6.3215 1.3677 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 9.3515 -1.1965 0.0000 C 0 0 6.4449 3.7076 0.0000 O 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 10.5214 1.4157 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 8.6186 -2.5053 0.0000 C 0 0 10.8515 -1.1771 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 11.6183 -2.4663 0.0000 C 0 0 9.3854 -3.7945 0.0000 C 0 0 10.8853 -3.7750 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 1 2 0 5 2 1 0 6 8 2 0 7 3 2 0 8 15 1 0 9 8 1 0 10 6 1 0 11 9 1 0 12 1 1 0 13 5 2 0 14 7 1 0 15 14 1 0 16 4 1 0 17 10 1 0 18 11 1 0 19 12 2 0 20 12 1 0 21 18 2 0 22 17 2 0 23 20 2 0 24 19 1 0 25 23 1 0 5 7 1 0 25 24 2 0 11 10 2 0 21 22 1 0 M END > 68591 > J. Med. Chem. 36(8)-1993 953-966 > HIV-1RT > 5.9586 $$$$ SciTegic07090714122D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 3.8912 5.2578 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 5.1017 6.1219 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.6746 6.1134 0.0000 C 0 0 4.6332 7.5469 0.0000 C 0 0 3.1332 7.5416 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 -1.0432 -3.5994 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 1 1 0 8 13 1 0 9 3 2 0 10 6 2 0 11 8 1 0 12 14 1 0 13 12 2 0 14 2 1 0 15 8 2 0 16 11 1 0 17 15 1 0 18 4 1 0 19 7 1 0 20 19 1 0 21 19 2 0 22 18 1 0 23 20 2 0 24 21 1 0 25 24 2 0 3 5 1 0 25 23 1 0 16 17 2 0 M END > 40439 > J. Med. Chem. 40(26)-1997 4257-4264 > HIV-1RT > 6.7696 $$$$ SciTegic07090714122D 25 29 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 5.8955 -2.3231 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 7.0807 -4.4175 0.0000 N 0 0 0.0275 -4.0256 0.0000 C 0 0 1.5239 -4.1290 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 8.0911 -3.3088 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 7.3489 -2.0053 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 5.7141 -3.7992 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 2.1824 3.0039 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 6 1 0 5 8 1 0 6 3 2 0 7 2 1 0 8 2 2 0 9 11 1 0 10 1 1 0 11 7 2 0 12 20 2 0 13 10 1 0 14 10 1 0 15 3 1 0 16 18 1 0 17 8 1 0 18 9 2 0 19 4 2 0 20 9 1 0 21 17 2 0 22 5 1 0 23 6 1 0 24 15 2 0 25 24 1 0 14 13 1 0 5 4 1 0 25 23 2 0 21 11 1 0 12 16 1 0 M END > 27361 > J. Med. Chem. 38(24)-1995 4830-4838 > HIV-1RT > 7.2218 $$$$ SciTegic07090714122D 26 29 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2.1812 2.6271 0.0000 S 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 S 0 0 0.2917 -0.7475 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 3.6500 2.9355 0.0000 C 0 0 4.2606 -2.3052 0.0000 O 0 0 6.3513 -1.2462 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 7.1161 -2.5367 0.0000 C 0 0 7.0866 0.0613 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 9.3512 -1.2122 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 1 1 0 6 2 1 0 7 6 1 0 8 5 2 0 9 3 2 0 10 3 1 0 11 7 2 0 12 7 1 0 13 5 1 0 14 8 1 0 15 10 2 0 16 10 1 0 17 12 1 0 18 12 2 0 19 13 2 0 20 19 1 0 21 16 2 0 22 17 2 0 23 18 1 0 24 15 1 0 25 23 2 0 26 21 1 0 4 8 1 0 20 14 2 0 26 24 2 0 25 22 1 0 M END > 69044 > J. Med. Chem. 36(9)-1993 1291-1294 > HIV-1RT > 4.1379 $$$$ SciTegic07090714122D 26 29 0 0 1 0 999 V2000 -0.7857 -1.3045 0.0000 C 0 0 -2.2977 -1.3045 0.0000 C 0 0 0.0000 0.0000 0.0000 C 0 0 -0.7857 1.2600 0.0000 C 0 0 -2.2977 1.2600 0.0000 C 0 0 -3.0240 0.0000 0.0000 C 0 0 0.0000 2.5497 0.0000 C 0 0 -3.0240 -2.6090 0.0000 O 0 0 1.4231 0.0000 0.0000 O 0 0 -4.5509 0.0000 0.0000 C 0 0 -3.0240 2.5497 0.0000 O 0 0 0.0000 -2.6386 0.0000 C 0 0 2 0 0 0 2.1642 1.2600 0.0000 C 0 0 1.4231 2.5497 0.0000 C 0 0 -5.2920 1.2600 0.0000 C 0 0 -4.5509 2.5497 0.0000 C 0 0 -0.5485 -3.9876 0.0000 C 0 0 2 0 0 0 -2.3273 -3.8838 0.0000 C 0 0 3.3642 1.2539 0.0000 O 0 0 1.1968 -2.5511 0.0000 O 0 0 -0.7109 3.8721 0.0000 C 0 0 0.0922 -5.0022 0.0000 C 0 0 -5.7505 2.5203 0.0000 C 0 0 -3.9277 3.5752 0.0000 C 0 0 0.0782 5.1488 0.0000 C 0 0 -0.4896 6.2059 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 2 0 5 4 1 0 6 2 1 0 7 4 1 0 8 2 1 0 9 3 1 0 10 6 1 0 11 5 1 0 12 1 1 0 13 9 1 0 14 13 1 0 15 10 2 0 16 11 1 0 17 12 1 0 18 17 1 0 19 13 2 0 12 20 1 1 21 7 1 0 17 22 1 1 23 16 1 0 24 16 1 0 25 21 1 0 26 25 1 0 6 5 2 0 8 18 1 0 14 7 2 0 15 16 1 0 M END > 144927 > J. Med. Chem. 40(6)-1997 1005-1017 > HIV-1RT > 4.3010 $$$$ SciTegic07090714122D 26 29 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3709 -3.8465 0.0000 N 0 0 7.1314 -5.1403 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.3896 -6.4441 0.0000 N 0 0 8.6315 -5.1310 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 9.3765 -3.8282 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 7.1477 -7.7384 0.0000 C 0 0 9.3896 -6.4253 0.0000 C 0 0 10.8773 -3.8210 0.0000 C 0 0 8.6477 -7.7291 0.0000 C 0 0 11.4730 -2.7793 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 3 1 0 6 14 1 0 7 6 1 0 8 2 1 0 9 4 1 0 10 7 2 0 11 7 1 0 12 5 1 0 13 5 1 0 14 13 1 0 15 12 1 0 16 3 2 0 17 11 1 0 18 8 1 0 19 9 1 0 20 10 1 0 21 11 2 0 22 17 1 0 23 21 1 0 24 22 1 0 25 18 2 0 26 19 2 0 8 9 2 0 25 26 1 0 15 6 1 0 23 20 2 0 M END > 69477 > J. Med. Chem. 36(10)-1993 1505-1508 > HIV-1RT > 5.3979 $$$$ SciTegic07090714122D 26 29 0 0 0 0 999 V2000 2.5823 0.7000 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 2.1824 3.0039 0.0000 O 0 0 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 -0.3998 3.0084 0.0000 C 0 0 6.5600 0.5102 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 7.6422 -0.5296 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 9.0839 -0.1153 0.0000 C 0 0 7.2804 -1.9854 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 8.3601 -3.0267 0.0000 C 0 0 10.1636 -1.1565 0.0000 C 0 0 9.8017 -2.6122 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 2 1 0 7 5 1 0 8 3 1 0 9 1 1 0 10 6 1 0 11 4 2 0 12 9 2 0 13 12 1 0 14 2 1 0 15 5 1 0 16 12 1 0 17 7 1 0 18 16 1 0 19 10 2 0 20 18 2 0 21 18 1 0 22 14 1 0 23 17 2 0 24 21 2 0 25 20 1 0 26 24 1 0 8 13 2 0 6 7 2 0 23 19 1 0 25 26 2 0 M END > 45452 > J. Med. Chem. 41(16)-1998 2960-2971 > HIV-1RT > 5.9208 $$$$ SciTegic07090714122D 26 29 0 0 0 0 999 V2000 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 4.3582 2.5807 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.3998 3.0084 0.0000 O 0 0 5.7963 3.0084 0.0000 O 0 0 3.2694 3.6124 0.0000 O 0 0 0.8553 -2.8717 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 5.9135 -2.3040 0.0000 O 0 0 5.0560 5.4988 0.0000 C 0 0 3.6181 5.0713 0.0000 C 0 0 6.1450 4.4673 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 7.0524 -1.9261 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 2 1 0 5 3 1 0 6 3 1 0 7 5 1 0 8 4 2 0 9 1 1 0 10 6 1 0 11 9 2 0 12 11 1 0 13 4 1 0 14 7 2 0 15 10 1 0 16 10 1 0 17 2 1 0 18 8 1 0 19 11 1 0 20 21 1 0 21 16 1 0 22 15 1 0 23 13 2 0 24 19 1 0 25 17 1 0 26 23 1 0 6 12 2 0 7 8 1 0 22 20 1 0 26 18 2 0 M END > 27407 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 6.0969 $$$$ SciTegic07090714122D 26 29 0 0 0 0 999 V2000 2.5823 0.7000 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 8.8402 3.8021 0.0000 N 0 0 8.3537 2.3966 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 9.5184 1.4717 0.0000 S 0 0 2.1824 3.0039 0.0000 O 0 0 10.3395 3.7557 0.0000 C 0 0 10.7586 2.3154 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -0.3998 3.0084 0.0000 C 0 0 6.9135 1.9743 0.0000 C 0 0 6.5583 0.5161 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 2 1 0 7 5 1 0 8 3 1 0 9 10 2 0 10 21 1 0 11 6 1 0 12 1 1 0 13 10 1 0 14 4 2 0 15 9 1 0 16 13 1 0 17 19 1 0 18 2 1 0 19 12 2 0 20 5 1 0 21 22 1 0 22 19 1 0 23 7 1 0 24 11 2 0 25 18 1 0 26 23 2 0 8 17 2 0 6 7 2 0 26 24 1 0 16 15 2 0 M END > 45461 > J. Med. Chem. 41(16)-1998 2960-2971 > HIV-1RT > 6.3565 $$$$ SciTegic07090714122D 26 30 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 0.8607 -2.8697 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 0.0275 -4.0256 0.0000 C 0 0 1.5239 -4.1290 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 5.8955 -2.3231 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 8.4340 -2.8792 0.0000 N 0 0 2.1824 3.0039 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 7.3255 -1.8685 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 5.5750 -3.7884 0.0000 C 0 0 8.1129 -4.3444 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 6.6835 -4.7990 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 6 1 0 5 7 1 0 6 3 2 0 7 2 2 0 8 2 1 0 9 1 1 0 10 8 2 0 11 9 1 0 12 9 1 0 13 3 1 0 14 7 1 0 15 4 2 0 16 10 1 0 17 10 1 0 18 21 1 0 19 5 1 0 20 6 1 0 21 16 2 0 22 13 2 0 23 16 1 0 24 26 1 0 25 22 1 0 26 23 2 0 12 11 1 0 5 4 1 0 25 20 2 0 14 17 2 0 18 24 2 0 M END > 27371 > J. Med. Chem. 38(24)-1995 4830-4838 > HIV-1RT > 6.3565 $$$$ SciTegic07090714122D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8912 5.2578 0.0000 N 0 0 2.5972 1.5031 0.0000 O 0 0 3.6375 -0.9049 0.0000 O 0 0 3.8864 -5.2585 0.0000 N 0 0 4.9336 3.1588 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1.2935 -3.7495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 5.1894 7.5110 0.0000 C 0 0 6.4885 5.2610 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 7.7875 6.0110 0.0000 C 0 0 6.4884 8.2610 0.0000 C 0 0 7.7875 7.5110 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 13 1 0 6 1 2 0 7 5 1 0 8 3 1 0 9 2 2 0 10 17 2 0 11 5 2 0 12 3 2 0 13 8 1 0 14 6 1 0 15 7 1 0 16 14 2 0 17 4 1 0 18 14 1 0 19 4 2 0 20 23 2 0 21 15 2 0 22 15 1 0 23 19 1 0 24 22 2 0 25 21 1 0 26 24 1 0 16 12 1 0 20 10 1 0 25 26 2 0 M END > 22845 > J. Med. Chem. 38(10)-1995 1657-1665 > HIV-1RT > 6.3665 $$$$ SciTegic07090714122D 26 30 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 1.6775 -4.0373 0.0000 C 0 0 0.1797 -4.1195 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.3998 3.0084 0.0000 O 0 0 4.3568 2.5813 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 5.7935 3.0155 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 6.1387 4.4753 0.0000 C 0 0 6.8852 1.9867 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 8.3219 2.4177 0.0000 C 0 0 7.5754 4.9063 0.0000 C 0 0 8.6670 3.8775 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 2 2 0 6 5 1 0 7 3 2 0 8 1 1 0 9 7 1 0 10 3 1 0 11 8 1 0 12 8 1 0 13 2 1 0 14 6 2 0 15 9 1 0 16 5 1 0 17 10 2 0 18 15 1 0 19 17 1 0 20 13 2 0 21 18 1 0 22 18 2 0 23 20 1 0 24 22 1 0 25 21 2 0 26 24 2 0 12 11 1 0 4 6 1 0 9 19 2 0 23 16 2 0 25 26 1 0 M END > 27401 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 6.8539 $$$$ SciTegic07090714122D 27 30 0 0 0 0 999 V2000 2.5823 0.7000 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 2.1824 3.0039 0.0000 O 0 0 5.1180 0.0933 0.0000 C 0 0 11.9647 0.7250 0.0000 N 0 0 4.7913 -1.3067 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 7.6422 -0.5296 0.0000 O 0 0 -0.3998 3.0084 0.0000 C 0 0 9.0841 -0.1132 0.0000 C 0 0 6.5600 0.5102 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 10.1673 -1.1509 0.0000 C 0 0 9.4414 1.3437 0.0000 C 0 0 11.6076 -0.7318 0.0000 C 0 0 10.8816 1.7628 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 2 1 0 7 5 1 0 8 3 1 0 9 1 1 0 10 6 1 0 11 4 2 0 12 9 2 0 13 24 2 0 14 12 1 0 15 2 1 0 16 19 1 0 17 5 1 0 18 16 1 0 19 12 1 0 20 7 1 0 21 18 1 0 22 18 2 0 23 21 2 0 24 22 1 0 25 10 2 0 26 15 1 0 27 20 2 0 8 14 2 0 6 7 2 0 27 25 1 0 23 13 1 0 M END > 45521 > J. Med. Chem. 41(16)-1998 2972-2984 > HIV-1RT > 5.2581 $$$$ SciTegic07090714122D 27 30 0 0 0 0 999 V2000 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 N 0 0 1.9399 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 3.2514 -8.0863 0.0000 N 0 0 3.2483 -6.5855 0.0000 C 0 0 4.5523 -8.8348 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 4.5575 -10.3349 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 2.9760 -1.9598 0.0000 O 0 0 4.2865 -5.9837 0.0000 S 0 0 1.9475 -5.8369 0.0000 N 0 0 0.6436 -3.5875 0.0000 C 0 0 5.8592 -11.0804 0.0000 C 0 0 7.1556 -10.3259 0.0000 C 0 0 5.8488 -8.0804 0.0000 C 0 0 8.1969 -10.9223 0.0000 Br 0 0 1.9444 -4.3361 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 7.1504 -8.8259 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 9 1 0 9 16 1 0 10 8 1 0 11 2 1 0 12 10 1 0 13 7 1 0 14 3 2 0 15 9 2 0 16 22 1 0 17 4 1 0 18 12 2 0 19 25 2 0 20 10 2 0 21 19 1 0 22 17 1 0 23 5 1 0 24 6 1 0 25 20 1 0 26 24 2 0 27 23 2 0 11 13 2 0 5 6 2 0 26 27 1 0 19 18 1 0 M END > 84827 > J. Med. Chem. 44(3)-2001 305-315 > HIV-1RT > 5.3010 $$$$ SciTegic07090714122D 27 31 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 1.6775 -4.0373 0.0000 C 0 0 0.1797 -4.1195 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 4.3568 2.5813 0.0000 C 0 0 5.7935 3.0155 0.0000 O 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 6.1366 4.4765 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 7.5719 4.9126 0.0000 C 0 0 5.0414 5.5016 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 5.3815 6.9625 0.0000 C 0 0 7.9119 6.3736 0.0000 C 0 0 6.8167 7.3985 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 2 2 0 6 5 1 0 7 3 2 0 8 1 1 0 9 3 1 0 10 8 1 0 11 8 1 0 12 2 1 0 13 7 1 0 14 6 2 0 15 13 1 0 16 15 1 0 17 5 1 0 18 9 2 0 19 16 1 0 20 18 1 0 21 12 2 0 22 19 2 0 23 19 1 0 24 21 1 0 25 23 2 0 26 22 1 0 27 25 1 0 11 10 1 0 4 6 1 0 13 20 2 0 17 24 2 0 26 27 2 0 M END > 27382 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 5.5884 $$$$ SciTegic07090714122D 28 31 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 8.5168 5.2969 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 4.8208 1.3475 0.0000 N 0 0 7.0161 5.2768 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 9.2816 4.0064 0.0000 N 0 0 6.2823 3.9676 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 9.2521 6.6043 0.0000 C 0 0 4.7008 -0.9930 0.0000 O 0 0 8.4897 7.8971 0.0000 O 0 0 6.4026 6.3081 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 10.7815 4.0234 0.0000 C 0 0 10.7520 6.6213 0.0000 C 0 0 9.2272 9.2042 0.0000 C 0 0 11.5167 5.3308 0.0000 C 0 0 8.6177 10.2378 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 1 2 0 6 3 1 0 7 11 1 0 8 2 1 0 9 5 1 0 10 4 2 0 11 13 1 0 12 14 1 0 13 15 1 0 14 6 1 0 15 6 1 0 16 4 1 0 17 3 2 0 18 16 1 0 19 7 1 0 20 8 2 0 21 9 2 0 22 10 1 0 23 16 2 0 24 18 1 0 25 23 1 0 26 24 1 0 27 21 1 0 28 20 1 0 9 8 1 0 11 12 1 0 27 28 2 0 22 25 2 0 M END > 34900 > J. Med. Chem. 39(26)-1996 5267-5275 > HIV-1RT > 5.3188 $$$$ SciTegic07090714122D 28 32 0 0 0 0 999 V2000 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.1244 1.9290 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 5.8955 -2.3231 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 5.7173 -3.8018 0.0000 C 0 0 7.0614 -4.4047 0.0000 N 0 0 7.3428 -2.0070 0.0000 C 0 0 8.0767 -3.3095 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 -0.3998 3.0084 0.0000 O 0 0 9.5803 -3.3413 0.0000 N 0 0 5.1180 0.0933 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 2.1824 3.0039 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 8.0948 -0.7045 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 10.3481 -2.0298 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 9.6143 -0.7273 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 9 1 0 6 4 2 0 7 1 1 0 8 10 1 0 9 1 2 0 10 7 2 0 11 8 2 0 12 11 1 0 13 8 1 0 14 13 2 0 15 9 1 0 16 4 1 0 17 3 2 0 18 14 1 0 19 15 2 0 20 2 1 0 21 5 1 0 22 6 1 0 23 13 1 0 24 16 2 0 25 28 1 0 26 20 1 0 27 24 1 0 28 23 2 0 10 19 1 0 3 6 1 0 12 14 1 0 22 27 2 0 18 25 2 0 M END > 38189 > J. Med. Chem. 40(15)-1997 2430-2433 > HIV-1RT > 5.8861 $$$$ SciTegic07090714122D 28 31 0 0 0 0 999 V2000 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 5.1180 0.0933 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 0.8553 -2.8717 0.0000 C 0 0 5.6742 -2.1194 0.0000 O 0 0 -2.2245 1.1978 0.0000 C 0 0 5.7935 3.0155 0.0000 O 0 0 4.3568 2.5813 0.0000 C 0 0 7.5733 4.9108 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 6.1366 4.4765 0.0000 C 0 0 7.9184 6.3706 0.0000 C 0 0 8.6651 3.8821 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 10.1018 4.3131 0.0000 C 0 0 9.3551 6.8016 0.0000 C 0 0 10.4468 5.7729 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 1 0 5 1 2 0 6 4 1 0 7 3 2 0 8 1 1 0 9 5 1 0 10 8 2 0 11 3 1 0 12 10 1 0 13 6 2 0 14 2 1 0 15 10 1 0 16 7 1 0 17 18 1 0 18 9 1 0 19 21 1 0 20 11 2 0 21 17 1 0 22 19 2 0 23 19 1 0 24 14 1 0 25 20 1 0 26 23 2 0 27 22 1 0 28 26 1 0 9 12 2 0 6 7 1 0 25 16 2 0 27 28 2 0 M END > 27412 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 5.9706 $$$$ SciTegic07090714122D 28 32 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 1.6775 -4.0373 0.0000 C 0 0 0.1797 -4.1195 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 -2.2245 1.1978 0.0000 C 0 0 5.7935 3.0155 0.0000 O 0 0 4.7913 -1.3067 0.0000 C 0 0 4.3568 2.5813 0.0000 C 0 0 7.5733 4.9108 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 6.1366 4.4765 0.0000 C 0 0 7.9184 6.3706 0.0000 C 0 0 8.6651 3.8821 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 10.1018 4.3131 0.0000 C 0 0 9.3551 6.8016 0.0000 C 0 0 10.4468 5.7729 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 2 2 0 6 5 1 0 7 3 2 0 8 1 1 0 9 3 1 0 10 8 1 0 11 8 1 0 12 2 1 0 13 7 1 0 14 6 2 0 15 5 1 0 16 18 1 0 17 9 2 0 18 13 1 0 19 22 1 0 20 17 1 0 21 12 2 0 22 16 1 0 23 19 2 0 24 19 1 0 25 21 1 0 26 24 2 0 27 23 1 0 28 26 1 0 11 10 1 0 4 6 1 0 13 20 2 0 15 25 2 0 27 28 2 0 M END > 27383 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 6.5686 $$$$ SciTegic07090714122D 29 32 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 -3.6168 1.4950 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -5.2262 3.2840 0.0000 N 0 0 -5.9732 1.9832 0.0000 N 0 0 -4.9669 0.8708 0.0000 C 0 0 -3.7582 2.9755 0.0000 C 0 0 7.9923 7.8301 0.0000 C 0 0 7.1918 8.7241 0.0000 O 0 0 9.4611 8.1385 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 7.5241 6.4042 0.0000 C 0 0 9.9311 9.5630 0.0000 C 0 0 10.4598 7.0192 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 11.9284 7.3245 0.0000 C 0 0 11.3997 9.8682 0.0000 C 0 0 12.3984 8.7490 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 6 2 0 5 2 2 0 6 1 1 0 7 5 1 0 8 3 2 0 9 3 1 0 10 9 2 0 11 14 2 0 12 13 2 0 13 7 1 0 14 7 1 0 15 20 1 0 16 15 2 0 17 15 1 0 18 6 1 0 19 8 1 0 20 24 1 0 21 17 1 0 22 17 2 0 23 18 1 0 24 26 1 0 25 23 1 0 26 25 1 0 27 22 1 0 28 21 2 0 29 27 2 0 8 4 1 0 5 10 1 0 12 11 1 0 29 28 1 0 M END > 73484 > J. Med. Chem. 36(24)-1993 3784-3794 > HIV-1RT > 5.5850 $$$$ SciTegic07090714122D 29 31 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 3.8990 -0.7508 0.0000 N 0 0 5.2499 -1.3728 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 4.0377 0.7299 0.0000 C 0 0 6.2543 -0.2587 0.0000 C 0 0 5.5052 1.0408 0.0000 C 0 0 5.5523 -2.8401 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 4.6552 -3.6372 0.0000 O 0 0 7.6112 2.5617 0.0000 N 0 0 6.1183 2.4079 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 6.9764 -3.3138 0.0000 O 0 0 8.2253 3.9311 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 7.2792 -4.7838 0.0000 C 0 0 9.7172 4.0870 0.0000 C 0 0 7.3445 5.1453 0.0000 C 0 0 8.4178 -5.1625 0.0000 C 0 0 7.9555 6.5152 0.0000 C 0 0 10.3283 5.4569 0.0000 C 0 0 9.4474 6.6710 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 5 2 0 8 3 1 0 9 4 1 0 10 1 2 0 11 1 2 0 12 4 2 0 13 8 2 0 14 15 1 0 15 7 1 0 16 12 1 0 17 9 2 0 18 12 1 0 19 8 1 0 20 14 1 0 21 16 2 0 22 17 1 0 23 19 1 0 24 20 1 0 25 20 2 0 26 23 1 0 27 25 1 0 28 24 2 0 29 27 2 0 7 6 1 0 21 17 1 0 29 28 1 0 M END > 124848 > J. Med. Chem. 43(9)-2000 1886-1891 > HIV-1RT > 6.3010 $$$$ SciTegic07090714122D 29 33 0 0 0 0 999 V2000 0.8711 -1.3689 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 N 0 0 -0.7934 0.7623 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 0.8607 -2.8697 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 1.6775 -4.0373 0.0000 C 0 0 0.1797 -4.1195 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 -0.3998 3.0084 0.0000 O 0 0 -2.2245 1.1978 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 4.3568 2.5813 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 7.9165 6.3718 0.0000 C 0 0 5.7935 3.0155 0.0000 O 0 0 -3.0179 -1.2445 0.0000 C 0 0 7.5733 4.9108 0.0000 C 0 0 6.1366 4.4765 0.0000 C 0 0 9.3517 6.8079 0.0000 C 0 0 6.8213 7.3969 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 7.1613 8.8578 0.0000 C 0 0 9.6917 8.2689 0.0000 C 0 0 8.5965 9.2938 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 2 2 0 6 5 1 0 7 3 2 0 8 1 1 0 9 3 1 0 10 8 1 0 11 8 1 0 12 2 1 0 13 7 1 0 14 6 2 0 15 5 1 0 16 9 2 0 17 13 1 0 18 16 1 0 19 22 1 0 20 17 1 0 21 12 2 0 22 23 1 0 23 20 1 0 24 19 2 0 25 19 1 0 26 21 1 0 27 25 2 0 28 24 1 0 29 27 1 0 11 10 1 0 4 6 1 0 13 18 2 0 26 15 2 0 28 29 2 0 M END > 27384 > J. Med. Chem. 38(24)-1995 4839-4847 > HIV-1RT > 6.3768 $$$$ SciTegic07090714122D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 0.0000 2.7000 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -0.0031 -3.0008 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5951 3.0039 0.0000 O 0 0 6.4854 8.2649 0.0000 C 0 0 5.1894 6.0109 0.0000 O 0 0 5.1872 7.5118 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 6.4855 9.7649 0.0000 C 0 0 7.7846 7.5149 0.0000 C 0 0 -1.0432 -3.5994 0.0000 C 0 0 9.0836 8.2650 0.0000 C 0 0 7.7845 10.5149 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 9.0835 9.7650 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 1 1 0 8 3 2 0 9 2 1 0 10 6 2 0 11 4 1 0 12 7 1 0 13 9 1 0 14 16 1 0 15 20 1 0 16 15 1 0 17 13 1 0 18 12 1 0 19 12 2 0 20 17 1 0 21 14 1 0 22 14 2 0 23 11 1 0 24 22 1 0 25 21 2 0 26 18 2 0 27 19 1 0 28 24 2 0 29 27 2 0 3 5 1 0 26 29 1 0 28 25 1 0 M END > 71216 > J. Med. Chem. 36(17)-1993 2526-2535 > HIV-1RT > 8.5229 $$$$ SciTegic07090714122D 30 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2.1783 2.6281 0.0000 S 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 6.3513 -1.2462 0.0000 N 0 0 3.6464 2.9395 0.0000 C 0 0 7.2249 -2.4499 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 1.3759 3.5204 0.0000 O 0 0 1.0043 2.3796 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 8.6461 -1.9702 0.0000 O 0 0 4.6497 1.8244 0.0000 C 0 0 4.1105 4.3659 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 6.8603 -3.5931 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 7.1973 -0.0230 0.0000 C 0 0 5.5778 4.6772 0.0000 C 0 0 6.1170 2.1357 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 6.5811 3.5621 0.0000 C 0 0 8.6290 -0.4703 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 5.9491 5.8183 0.0000 C 0 0 6.9196 1.2436 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 2 1 0 7 11 1 0 8 3 1 0 9 7 1 0 10 4 2 0 11 6 1 0 12 3 2 0 13 3 2 0 14 4 1 0 15 9 1 0 16 8 2 0 17 8 1 0 18 6 2 0 19 9 2 0 20 10 1 0 21 7 1 0 22 17 2 0 23 16 1 0 24 14 2 0 25 22 1 0 26 21 1 0 27 24 1 0 28 24 1 0 29 22 1 0 30 23 1 0 10 5 1 0 27 20 2 0 25 23 2 0 26 15 1 0 M END > 170096 > J. Med. Chem. 49(11)-2006 3172-3184 > HIV-1RT > 6.3979 $$$$ SciTegic07090714122D 31 34 0 0 0 0 999 V2000 2.5823 0.7000 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 -0.4667 -0.7156 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 3.3446 -1.7734 0.0000 N 0 0 9.7684 8.2293 0.0000 C 0 0 -1.5712 -1.7423 0.0000 N 0 0 4.0135 1.1200 0.0000 C 0 0 2.1824 3.0039 0.0000 O 0 0 9.4131 6.7711 0.0000 C 0 0 10.9200 8.5669 0.0000 O 0 0 4.7913 -1.3067 0.0000 C 0 0 0.8553 -2.8717 0.0000 C 0 0 10.4998 5.7371 0.0000 C 0 0 7.9743 6.3470 0.0000 C 0 0 -0.3998 3.0084 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 8.9005 9.0580 0.0000 O 0 0 8.7090 3.8548 0.0000 C 0 0 10.1477 4.2790 0.0000 C 0 0 7.6223 4.8889 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 8.3537 2.3966 0.0000 O 0 0 6.9135 1.9743 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 6.5583 0.5161 0.0000 C 0 0 -0.1899 -3.4614 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 2 1 0 7 5 1 0 8 3 1 0 9 13 1 0 10 6 2 0 11 1 1 0 12 4 2 0 13 18 2 0 14 9 2 0 15 20 1 0 16 2 1 0 17 23 2 0 18 24 1 0 19 5 1 0 20 11 2 0 21 9 1 0 22 26 1 0 23 22 1 0 24 22 2 0 25 7 2 0 26 27 1 0 27 29 1 0 28 10 1 0 29 20 1 0 30 16 1 0 31 25 1 0 15 8 2 0 7 6 1 0 28 31 2 0 13 17 1 0 M END > 160493 > J. Med. Chem. 48(17)-2005 5580-5588 > HIV-1RT > 5.3487 $$$$ SciTegic07090714122D 31 35 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 8.6349 -5.1249 0.0000 C 0 0 7.1341 -5.1388 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 6.3962 -6.4456 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 5.1503 -7.1301 0.0000 C 0 0 6.4574 -7.8659 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 8.6667 -7.7251 0.0000 N 0 0 9.3703 -3.8175 0.0000 N 0 0 6.3709 -3.8465 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 9.4336 -9.0151 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 10.8702 -3.8005 0.0000 C 0 0 8.8476 -10.0623 0.0000 C 0 0 10.6335 -8.9995 0.0000 C 0 0 11.6348 -5.0910 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 16 1 0 6 1 2 0 7 3 1 0 8 5 1 0 9 4 1 0 10 2 1 0 11 8 1 0 12 8 1 0 13 6 1 0 14 9 1 0 15 4 2 0 16 18 1 0 17 19 1 0 18 20 1 0 19 7 1 0 20 7 1 0 21 3 2 0 22 14 1 0 23 9 2 0 24 10 2 0 25 13 2 0 26 15 1 0 27 22 1 0 28 22 1 0 29 26 2 0 30 24 1 0 31 25 1 0 13 10 1 0 31 30 2 0 17 16 1 0 12 11 1 0 23 29 1 0 M END > 32887 > J. Med. Chem. 39(19)-1996 3769-3789 > HIV-1RT > 5.6364 $$$$ SciTegic07090714122D 32 36 0 0 0 0 999 V2000 -1.2274 -0.6045 0.0000 C 0 0 -3.8196 -5.0554 0.0000 C 0 0 -5.1426 -7.3066 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -5.1219 -5.7938 0.0000 C 0 0 -3.8082 -3.5584 0.0000 N 0 0 -3.7006 -0.6045 0.0000 N 0 0 -2.5288 -5.8141 0.0000 C 0 0 -3.8517 -8.0652 0.0000 C 0 0 -2.5402 -7.3111 0.0000 C 0 0 -2.5059 -2.8197 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 -6.4466 -8.0493 0.0000 N 0 0 -5.0029 1.5722 0.0000 C 0 0 -1.2265 -5.0757 0.0000 C 0 0 -6.4562 -9.5501 0.0000 C 0 0 -6.1547 -5.1827 0.0000 O 0 0 -1.2151 -3.5787 0.0000 C 0 0 -1.5038 -7.9160 0.0000 O 0 0 -6.0412 0.9705 0.0000 O 0 0 -7.4989 -10.1441 0.0000 O 0 0 -5.0053 2.7722 0.0000 N 0 0 2.4732 1.5389 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 -5.4207 -10.1565 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2 8 1 0 3 7 1 0 4 1 2 0 5 1 1 0 6 1 1 0 7 2 1 0 8 13 2 0 9 4 1 0 10 20 1 0 11 12 1 0 12 10 1 0 13 4 1 0 14 16 1 0 15 5 1 0 16 5 2 0 17 6 1 0 18 3 1 0 19 14 1 0 20 23 2 0 21 18 1 0 22 7 2 0 23 13 1 0 24 12 2 0 25 19 2 0 26 21 2 0 27 19 1 0 28 15 1 0 29 17 1 0 30 21 1 0 31 28 2 0 32 29 2 0 17 15 2 0 9 14 2 0 31 32 1 0 2 10 2 0 3 11 2 0 M END > 116108 > J. Med. Chem. 46(26)-2003 5773-5780 > HIV-1RT > 5.1487 $$$$