SciTegic07090714472D 8 8 0 0 0 0 999 V2000 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 2.3383 1.3500 0.0000 Cl 0 0 0.0000 -2.7000 0.0000 O 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 2 0 3 1 1 0 4 2 1 0 5 3 1 0 6 8 1 0 7 2 1 0 8 3 2 0 7 6 2 0 M END > 160654 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 3.3400 $$$$ SciTegic07090714472D 13 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 7 1 0 6 3 1 0 7 4 2 0 8 5 1 0 9 2 2 0 10 2 1 0 11 10 2 0 12 9 1 0 13 11 1 0 6 5 2 0 12 13 2 0 M END > 160673 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 5.0800 $$$$ SciTegic07090714472D 14 15 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 4 2 0 6 3 2 0 7 3 1 0 8 4 1 0 9 6 1 0 10 7 2 0 11 5 1 0 12 8 2 0 13 10 1 0 14 12 1 0 11 14 2 0 9 13 2 0 M END > 160671 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 3.8900 $$$$ SciTegic07090714472D 15 16 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 2 1 1 0 3 8 2 0 4 1 1 0 5 2 1 0 6 2 2 0 7 5 2 0 8 6 1 0 9 4 1 0 10 3 1 0 11 9 2 0 12 9 1 0 13 12 2 0 14 11 1 0 15 13 1 0 3 7 1 0 14 15 2 0 M END > 160658 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 3.6300 $$$$ SciTegic07090714472D 16 17 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8808 -8.2579 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 2 2 0 5 2 1 0 6 3 1 0 7 5 2 0 8 5 1 0 9 6 1 0 10 6 2 0 11 8 2 0 12 7 1 0 13 9 2 0 14 10 1 0 15 14 2 0 16 11 1 0 13 15 1 0 12 16 2 0 M END > 160575 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 4.1900 $$$$ SciTegic07090714472D 16 17 0 0 0 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -0.2452 -3.5926 0.0000 F 0 0 -2.3234 -3.6039 0.0000 F 0 0 -1.2810 -4.1981 0.0000 F 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 7 1 0 6 3 2 0 7 1 2 0 8 3 1 0 9 5 2 0 10 6 1 0 11 2 1 0 12 2 1 0 13 2 1 0 14 8 2 0 15 14 1 0 16 14 1 0 4 6 1 0 10 16 2 0 M END > 185245 > J. Med. Chem. 49(21)-2006 6143-6146 > AR > 7.5850 $$$$ SciTegic07090714472D 17 19 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 6 1 0 6 3 1 0 7 1 1 0 8 4 2 0 9 5 2 0 10 6 2 0 11 7 2 0 12 7 1 0 13 14 2 0 14 10 1 0 15 12 2 0 16 11 1 0 17 15 1 0 5 4 1 0 17 16 2 0 9 13 1 0 M END > 160636 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 4.1100 $$$$ SciTegic07090714472D 17 19 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 4.2010 -3.2956 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 4.2568 0.5878 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.1020 3.4627 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 2 1 0 5 1 1 0 6 2 1 0 7 1 1 0 8 4 2 0 9 4 1 0 10 5 2 0 11 5 1 0 12 9 2 0 13 10 1 0 14 11 2 0 15 8 1 0 16 12 1 0 17 14 1 0 6 3 1 0 13 17 2 0 15 16 2 0 M END > 160682 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 4.5400 $$$$ SciTegic07090714472D 17 19 0 0 1 0 999 V2000 -0.3200 0.0000 0.0000 C 0 0 2 0 0 0 0.1000 0.7200 0.0000 C 0 0 1 0 0 0 -0.1500 2.2900 0.0000 C 0 0 -2.2900 -0.8000 0.0000 C 0 0 -1.8000 0.0000 0.0000 C 0 0 1.3000 -0.9000 0.0000 C 0 0 1.7100 -0.1900 0.0000 C 0 0 2.8100 -0.4300 0.0000 C 0 0 2.8100 -1.6100 0.0000 C 0 0 1.6500 -1.8400 0.0000 C 0 0 -1.0900 -0.9204 0.0000 Cl 0 0 0.7968 1.6969 0.0000 Cl 0 0 -1.2382 2.7958 0.0000 Cl 0 0 0.8084 3.0121 0.0000 Cl 0 0 -2.9233 0.4222 0.0000 Cl 0 0 -2.6915 -1.9308 0.0000 Cl 0 0 1.0011 -2.8494 0.0000 Cl 0 0 2 3 1 6 1 3 1 6 4 1 1 0 5 4 2 0 6 1 1 0 7 6 1 0 8 7 1 0 9 10 1 0 10 6 1 0 11 1 1 0 12 2 1 0 13 3 1 0 14 3 1 0 15 5 1 0 16 4 1 0 17 10 1 0 2 7 1 0 5 2 1 0 8 9 2 0 M END > 160675 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 4.8700 $$$$ SciTegic07090714472D 17 18 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.3466 5.2898 0.0000 N 0 0 -1.3822 3.8645 0.0000 C 0 0 -1.8466 5.2908 0.0000 O 0 0 -3.8092 3.8630 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.2429 3.4876 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -4.9480 3.4846 0.0000 C 0 0 2.5956 -2.7031 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 2 5 2 0 3 1 1 0 4 3 1 0 5 1 1 0 6 1 2 0 7 12 1 0 8 3 2 0 9 7 1 0 10 6 1 0 11 13 1 0 12 14 2 0 13 10 2 0 14 10 1 0 15 5 1 0 16 9 1 0 17 9 1 0 4 2 1 0 11 7 2 0 M END > 77352 > Bioorg. Med. Chem. 10(5)-2002 1555-1566 > AR > 5.5229 $$$$ SciTegic07090714472D 18 21 0 0 1 0 999 V2000 0.3300 0.2000 0.0000 C 0 0 2 0 0 0 0.3300 -1.1100 0.0000 C 0 0 1 0 0 0 2.5700 -0.4400 0.0000 C 0 0 -0.8100 0.9700 0.0000 C 0 0 1 0 0 0 -0.8500 -0.4800 0.0000 C 0 0 2 0 0 0 1.6400 0.7300 0.0000 C 0 0 1.6700 -1.6600 0.0000 C 0 0 -1.3500 2.1900 0.0000 C 0 0 4.1300 -0.4300 0.0000 C 0 0 -2.1100 0.2600 0.0000 C 0 0 1 0 0 0 -2.1100 -1.2300 0.0000 C 0 0 7.1085 -0.1104 0.0000 C 0 0 5.0073 -1.6385 0.0000 C 0 0 4.7346 0.9453 0.0000 C 0 0 8.3019 0.0155 0.0000 O 0 0 -3.1623 0.8368 0.0000 O 0 0 6.2263 1.1027 0.0000 C 0 0 6.4990 -1.4810 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 1 6 1 6 2 7 1 6 4 8 1 6 9 3 2 0 10 4 1 0 11 10 1 0 12 17 1 0 13 9 1 0 14 9 1 0 15 12 2 0 10 16 1 1 17 14 1 0 18 13 1 0 5 8 1 1 3 7 1 0 5 11 1 0 18 12 1 0 M END > 75455 > J. Med. Chem. 43(24)-2000 4629-4635 > AR > 4.4449 $$$$ SciTegic07090714472D 18 19 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.9531 -1.9978 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 4.1955 0.2934 0.0000 O 0 0 1.8365 -3.7777 0.0000 O 0 0 5.6824 -3.4298 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 6.3897 -2.4604 0.0000 C 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 3.4788 -4.2540 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 1 0 6 3 1 0 7 5 1 0 8 5 2 0 9 2 2 0 10 3 2 0 11 6 1 0 12 8 1 0 13 7 2 0 14 12 2 0 15 11 2 0 16 12 1 0 17 13 1 0 18 6 1 0 4 6 1 0 14 13 1 0 M END > 61591 > Quant. Struct.-Act. Relat. 18(2)-1999 139-153 > AR > 6.3000 $$$$ SciTegic07090714472D 18 20 0 0 1 0 999 V2000 2.6690 1.2040 0.0000 C 0 0 2 0 0 0 2.6690 -1.1314 0.0000 C 0 0 1 0 0 0 0.6092 0.0290 0.0000 N 0 0 1.2910 -1.1314 0.0000 C 0 0 1.2910 1.2040 0.0000 C 0 0 3.3508 0.0290 0.0000 C 0 0 -0.8915 0.0250 0.0000 C 0 0 -1.6440 -1.2724 0.0000 C 0 0 -1.6389 1.3256 0.0000 C 0 0 0.6949 -2.1729 0.0000 O 0 0 0.6921 2.2438 0.0000 O 0 0 -3.1440 -1.2695 0.0000 C 0 0 -3.1389 1.3286 0.0000 C 0 0 -3.8914 0.0310 0.0000 C 0 0 2.1699 0.3374 0.0000 C 0 0 2.1723 -0.2635 0.0000 C 0 0 -3.7368 2.3690 0.0000 Cl 0 0 -3.7461 -2.3075 0.0000 Cl 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 1 0 7 3 1 0 8 7 2 0 9 7 1 0 10 4 2 0 11 5 2 0 12 8 1 0 13 9 2 0 14 13 1 0 1 15 1 1 2 16 1 1 17 13 1 0 18 12 1 0 2 6 1 0 4 3 1 0 14 12 2 0 M END > 61592 > Quant. Struct.-Act. Relat. 18(2)-1999 139-153 > AR > 6.3000 $$$$ SciTegic07090714472D 19 21 0 0 1 0 999 V2000 1.2100 0.5700 0.0000 C 0 0 1 0 0 0 0.8000 0.0000 0.0000 C 0 0 2 0 0 0 0.9700 2.0400 0.0000 C 0 0 2.6900 -0.2700 0.0000 C 0 0 2.3100 -0.9100 0.0000 C 0 0 -0.5300 0.0000 0.0000 C 0 0 -0.9400 -0.8200 0.0000 C 0 0 -4.0000 -0.4300 0.0000 S 0 0 -3.1500 -1.4900 0.0000 O 0 0 -3.0700 0.5700 0.0000 O 0 0 -1.6300 -1.4900 0.0000 C 0 0 -1.5200 0.5700 0.0000 C 0 0 -5.2000 -0.4300 0.0000 O 0 0 2.4060 0.6683 0.0000 Cl 0 0 0.9178 -1.1942 0.0000 Cl 0 0 2.0416 2.5801 0.0000 Cl 0 0 -0.0391 2.6894 0.0000 Cl 0 0 2.5073 -2.0937 0.0000 Cl 0 0 3.8900 -0.2700 0.0000 Cl 0 0 2 3 1 1 1 3 1 1 4 1 1 0 5 4 2 0 6 1 1 0 7 6 1 0 8 10 1 0 9 11 1 0 10 12 1 0 11 7 1 0 12 6 1 0 13 8 2 0 14 1 1 0 15 2 1 0 16 3 1 0 17 3 1 0 18 5 1 0 19 4 1 0 7 2 1 0 5 2 1 0 8 9 1 0 M END > 160674 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 4.6300 $$$$ SciTegic07090714472D 19 21 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.3466 5.2898 0.0000 N 0 0 -1.3822 3.8645 0.0000 C 0 0 -1.8466 5.2908 0.0000 N 0 0 -3.8092 3.8630 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.2429 3.4876 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 -4.9480 3.4846 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2 5 2 0 3 1 1 0 4 3 1 0 5 1 1 0 6 1 2 0 7 8 1 0 8 12 1 0 9 3 2 0 10 6 1 0 11 13 1 0 12 14 2 0 13 10 2 0 14 10 1 0 15 7 1 0 16 7 1 0 17 5 1 0 18 15 1 0 19 16 1 0 4 2 1 0 11 8 2 0 19 18 1 0 M END > 77357 > Bioorg. Med. Chem. 10(5)-2002 1555-1566 > AR > 5.0223 $$$$ SciTegic07090714472D 19 21 0 0 0 0 999 V2000 -1.2989 0.7501 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 N 0 0 2.5978 1.5002 0.0000 N 0 0 -2.5978 -1.5002 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 -3.8968 0.7501 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 -4.9360 1.3500 0.0000 O 0 0 -2.5978 -2.7002 0.0000 C 0 0 2.6015 -2.7002 0.0000 C 0 0 3.8685 1.9497 0.0000 C 0 0 4.9216 0.1258 0.0000 C 0 0 2 10 2 0 3 2 1 0 4 1 2 0 5 1 1 0 6 2 1 0 7 4 1 0 8 3 1 0 9 5 1 0 10 1 1 0 11 4 1 0 12 9 1 0 13 14 1 0 14 6 1 0 15 9 2 0 16 7 1 0 17 8 1 0 18 14 1 0 19 14 1 0 3 11 2 0 12 7 2 0 8 13 2 0 M END > 42187 > J. Med. Chem. 41(4)-1998 623-639 > AR > 7.2076 $$$$ SciTegic07090714472D 19 20 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 5.2779 -3.8262 0.0000 C 0 0 4.5303 -2.5258 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 6.6145 -3.1204 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 6.6460 -1.9209 0.0000 O 0 0 3.8912 -4.9570 0.0000 C 0 0 5.2613 -5.0261 0.0000 C 0 0 7.6378 -3.7472 0.0000 O 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 6 1 0 8 4 2 0 9 7 1 0 10 7 2 0 11 9 2 0 12 10 1 0 13 12 2 0 14 5 2 0 15 1 1 0 16 2 1 0 17 5 1 0 18 12 1 0 19 11 1 0 2 3 1 0 13 11 1 0 M END > 61596 > Quant. Struct.-Act. Relat. 18(2)-1999 139-153 > AR > 7.3000 $$$$ SciTegic07090714472D 19 21 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 5.2796 3.7097 0.0000 N 0 0 6.2995 1.5073 0.0000 C 0 0 6.5896 2.9790 0.0000 O 0 0 4.1799 2.6896 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.0825 2.3453 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 7.1103 0.6227 0.0000 C 0 0 3.0012 2.9147 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 1 1 0 6 3 1 0 7 2 1 0 8 11 2 0 9 4 2 0 10 9 1 0 11 4 1 0 12 2 2 0 13 3 2 0 14 7 2 0 15 6 2 0 16 9 1 0 17 11 1 0 18 15 1 0 19 14 1 0 6 7 1 0 10 8 1 0 18 19 2 0 M END > 77381 > Bioorg. Med. Chem. 10(5)-2002 1555-1566 > AR > 7.3468 $$$$ SciTegic07090714472D 20 22 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.3466 5.2898 0.0000 N 0 0 -1.3822 3.8645 0.0000 C 0 0 -1.8466 5.2908 0.0000 O 0 0 -3.8092 3.8630 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.2429 3.4876 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -4.9480 3.4846 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 5 2 0 3 1 1 0 4 3 1 0 5 1 1 0 6 1 2 0 7 8 1 0 8 12 2 0 9 3 2 0 10 6 1 0 11 13 2 0 12 14 1 0 13 10 1 0 14 10 2 0 15 7 1 0 16 7 1 0 17 5 1 0 18 15 1 0 19 16 1 0 20 19 1 0 4 2 1 0 8 11 1 0 18 20 1 0 M END > 77360 > Bioorg. Med. Chem. 10(5)-2002 1555-1566 > AR > 5.7959 $$$$ SciTegic07090714472D 20 22 0 0 0 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 O 0 0 3.8926 -1.4990 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 5.2449 -0.8800 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 S 0 0 2.5929 -0.7486 0.0000 C 0 0 6.2469 -1.9962 0.0000 C 0 0 8.9308 -1.7182 0.0000 N 0 0 7.7372 -1.8419 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -0.2414 -2.0691 0.0000 C 0 0 -2.3479 -2.0756 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 7 1 0 5 3 1 0 6 12 1 0 7 1 1 0 8 1 2 0 9 6 1 0 10 6 2 0 11 10 1 0 12 8 1 0 13 9 2 0 14 15 3 0 15 13 1 0 16 2 2 0 17 7 2 0 18 12 2 0 19 3 1 0 20 3 1 0 5 2 1 0 18 17 1 0 13 11 1 0 M END > 105949 > J. Med. Chem. 45(20)-2002 4379-4382 > AR > 6.5528 $$$$ SciTegic07090714472D 23 24 0 0 1 0 999 V2000 -1.1400 1.2700 0.0000 C 0 0 -2.4800 0.5000 0.0000 C 0 0 -3.8100 1.2700 0.0000 C 0 0 -2.4800 -1.0300 0.0000 C 0 0 0.1600 0.5000 0.0000 O 0 0 -5.1500 0.5000 0.0000 C 0 0 -1.1321 2.4700 0.0000 O 0 0 -3.8100 -1.8100 0.0000 C 0 0 -5.1500 -1.0300 0.0000 C 0 0 6.5403 -1.6282 0.0000 O 0 0 5.5000 -1.0300 0.0000 C 0 0 -3.8081 2.4700 0.0000 O 0 0 1.5000 1.2700 0.0000 C 0 0 2 0 0 0 -6.1903 -1.6282 0.0000 O 0 0 -1.1400 -1.8100 0.0000 C 0 0 4.1600 1.2700 0.0000 C 0 0 5.5000 0.5000 0.0000 C 0 0 4.1600 -1.8100 0.0000 C 0 0 2.8300 0.5000 0.0000 C 0 0 1.5019 2.4700 0.0000 C 0 0 0.1600 -1.0300 0.0000 C 0 0 2.8300 -1.0300 0.0000 C 0 0 1.5000 -1.8100 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 2 1 0 5 1 1 0 6 3 1 0 7 1 2 0 8 4 2 0 9 8 1 0 10 11 2 0 11 17 1 0 12 3 1 0 13 5 1 0 14 9 1 0 15 4 1 0 16 19 1 0 17 16 1 0 18 11 1 0 19 13 1 0 13 20 1 1 21 15 1 0 22 23 1 0 23 21 1 0 6 9 2 0 22 18 1 0 M END > 160647 > J. Med. Chem. 48(18)-2005 5666-5674 > AR > 4.3700 $$$$ SciTegic07090714472D 23 26 0 0 1 0 999 V2000 -0.8205 0.0000 0.0000 C 0 0 1 0 0 0 0.4558 0.6928 0.0000 C 0 0 -0.8205 -1.5498 0.0000 C 0 0 1 0 0 0 1.7503 0.0000 0.0000 C 0 0 -2.1332 0.6928 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 0.4820 -0.7467 0.0000 C 0 0 -2.1332 -2.2973 0.0000 C 0 0 3.0631 0.6928 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 1.7503 -1.5498 0.0000 C 0 0 0.4558 -2.2973 0.0000 C 0 0 -4.4670 -2.1497 0.0000 O 0 0 -3.4277 0.0000 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 0.4859 -2.2475 0.0000 C 0 0 4.1036 2.7856 0.0000 O 0 0 1.7860 -2.9959 0.0000 C 0 0 -0.8121 -2.9994 0.0000 C 0 0 -0.8101 -4.4994 0.0000 C 0 0 1.7880 -4.4959 0.0000 C 0 0 0.4899 -5.2477 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 1 1 0 6 2 1 0 1 7 1 6 3 8 1 6 9 4 1 0 10 14 1 0 11 12 1 0 12 3 1 0 13 10 2 0 14 5 1 0 15 16 1 0 16 6 2 0 17 7 1 0 18 15 1 0 19 17 2 0 20 17 1 0 21 20 2 0 22 19 1 0 23 21 1 0 8 10 1 0 11 4 1 0 9 15 2 0 22 23 2 0 M END > 94609 > J. Med. Chem. 45(12)-2002 2417-2424 > AR > 5.8861 $$$$ SciTegic07090714472D 23 26 0 0 0 0 999 V2000 -3.2465 -1.9125 0.0000 C 0 0 1.9447 1.0768 0.0000 N 0 0 -1.9447 -1.1732 0.0000 C 0 0 0.6429 0.3214 0.0000 C 0 0 -1.9447 0.3214 0.0000 C 0 0 -3.2465 -3.4136 0.0000 C 0 0 -0.6429 1.0768 0.0000 C 0 0 -3.2465 1.0768 0.0000 N 0 0 -4.5483 0.3214 0.0000 C 0 0 -4.5483 -1.1732 0.0000 C 0 0 0.6429 -1.1732 0.0000 C 0 0 -0.6429 -1.9125 0.0000 C 0 0 3.2465 0.3214 0.0000 C 0 0 3.2465 -1.1732 0.0000 C 0 0 -5.5882 0.9203 0.0000 O 0 0 1.9447 -1.9125 0.0000 C 0 0 -2.2076 -4.0142 0.0000 F 0 0 -4.2859 -4.0132 0.0000 F 0 0 -3.2471 -4.6136 0.0000 F 0 0 2.2822 2.5875 0.0000 C 0 0 4.3876 1.3661 0.0000 C 0 0 4.3447 -0.1621 0.0000 C 0 0 3.7608 2.6840 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 11 1 0 5 3 2 0 6 1 1 0 7 5 1 0 8 9 1 0 9 10 1 0 10 1 2 0 11 12 2 0 12 3 1 0 13 14 1 0 14 16 1 0 15 9 2 0 16 11 1 0 17 6 1 0 18 6 1 0 19 6 1 0 20 2 1 0 21 13 1 0 22 13 1 0 23 20 1 0 8 5 1 0 4 7 2 0 2 13 1 0 21 23 1 0 M END > 42214 > J. 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Med. Chem. 10(5)-2002 1555-1566 > AR > 5.1024 $$$$ SciTegic07090714472D 24 27 0 0 0 0 999 V2000 -0.4500 -0.5900 0.0000 C 0 0 5.4164 2.5607 0.0000 N 0 0 0.4500 0.5900 0.0000 C 0 0 -1.9900 -0.3700 0.0000 C 0 0 1.9900 0.3700 0.0000 C 0 0 -2.5700 1.0300 0.0000 C 0 0 -4.1100 1.2500 0.0000 N 0 0 -2.9600 -1.5900 0.0000 C 0 0 2.9600 1.5900 0.0000 C 0 0 4.4900 1.3800 0.0000 C 0 0 1.6100 -2.2500 0.0000 O 0 0 0.0800 -2.0200 0.0000 C 0 0 -5.0700 0.0300 0.0000 C 0 0 2.5700 -1.0300 0.0000 C 0 0 0.0000 2.0200 0.0000 C 0 0 -4.4900 -1.3800 0.0000 C 0 0 6.6044 2.3919 0.0000 O 0 0 4.9689 3.6742 0.0000 O 0 0 -1.6100 2.2500 0.0000 C 0 0 5.0700 0.0000 0.0000 C 0 0 4.1100 -1.2500 0.0000 C 0 0 -2.5134 -2.7038 0.0000 C 0 0 -5.4952 1.1521 0.0000 C 0 0 -5.7854 -0.9334 0.0000 C 0 0 2 10 1 0 3 1 2 0 4 1 1 0 5 3 1 0 6 4 2 0 7 6 1 0 8 4 1 0 9 5 2 0 10 9 1 0 11 12 1 0 12 1 1 0 13 16 1 0 14 11 1 0 15 3 1 0 16 8 1 0 17 2 2 0 18 2 2 0 19 6 1 0 20 21 1 0 21 14 2 0 22 8 1 0 23 13 1 0 24 13 1 0 5 14 1 0 15 19 2 0 7 13 1 0 20 10 2 0 M END > 104848 > Bioorg. Med. Chem. Lett. 13(12)-2003 2075-2078 > AR > 7.2007 $$$$ SciTegic07090714472D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 N 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 3.8971 3.7500 0.0000 C 0 0 3.6384 -0.9011 0.0000 F 0 0 2.5984 -2.7004 0.0000 F 0 0 3.6377 -2.1009 0.0000 F 0 0 3.8971 5.2500 0.0000 C 0 0 3.3023 7.3783 0.0000 C 0 0 1.0523 6.0793 0.0000 C 0 0 0.3023 7.3783 0.0000 C 0 0 2.5523 8.6773 0.0000 C 0 0 1.0523 8.6773 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 6 1 0 6 9 1 0 7 8 1 0 8 12 1 0 9 1 2 0 10 3 1 0 11 2 1 0 12 11 2 0 13 19 1 0 14 6 2 0 15 12 1 0 16 4 1 0 17 4 1 0 18 4 1 0 19 15 1 0 20 13 1 0 21 13 1 0 22 21 1 0 23 20 1 0 24 22 1 0 5 3 1 0 8 10 2 0 7 13 1 0 24 23 1 0 M END > 42196 > J. Med. Chem. 41(4)-1998 623-639 > AR > 7.4559 $$$$ SciTegic07090714472D 24 25 0 0 1 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 2 0 0 0 -2.5973 1.5031 0.0000 N 0 0 3.6380 -2.1004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -5.1894 6.0109 0.0000 O 0 0 -4.9316 4.3586 0.0000 O 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -5.1873 7.5117 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -5.1769 10.5118 0.0000 C 0 0 -5.1728 11.7118 0.0000 F 0 0 -4.9336 3.1588 0.0000 C 0 0 -6.4837 8.2663 0.0000 C 0 0 -3.8856 8.2573 0.0000 C 0 0 -3.8805 9.7573 0.0000 C 0 0 -6.4785 9.7663 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 6 3 0 5 12 1 0 6 5 1 0 7 8 1 0 8 9 2 0 9 3 1 0 10 2 1 0 11 1 2 0 12 17 2 0 13 10 1 0 14 2 1 0 15 7 1 0 16 13 1 0 17 9 1 0 18 23 1 0 19 18 1 0 2 20 1 6 21 16 2 0 22 16 1 0 23 22 2 0 24 21 1 0 5 7 2 0 24 18 2 0 M END > 131103 > J. Med. Chem. 47(15)-2004 3765-3776 > AR > 7.5989 $$$$ SciTegic07090714472D 24 27 0 0 0 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8936 -1.4973 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 5.1905 0.7561 0.0000 C 0 0 2.5966 -3.7507 0.0000 C 0 0 3.8951 -2.9981 0.0000 C 0 0 5.1921 -0.7447 0.0000 C 0 0 5.9367 1.9661 0.0000 C 0 0 4.4367 1.9614 0.0000 C 0 0 1.9252 -5.0037 0.0000 C 0 0 1.1758 -3.7043 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -0.2452 -3.5926 0.0000 F 0 0 -2.3234 -3.6039 0.0000 F 0 0 -1.2810 -4.1981 0.0000 F 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 7 1 0 6 2 2 0 7 1 2 0 8 10 1 0 9 2 1 0 10 9 2 0 11 14 1 0 12 13 1 0 13 8 1 0 14 8 1 0 15 11 1 0 16 11 1 0 17 12 1 0 18 12 1 0 19 5 2 0 20 6 1 0 21 10 1 0 22 3 1 0 23 3 1 0 24 3 1 0 6 4 1 0 20 21 2 0 16 15 1 0 18 17 1 0 M END > 185253 > J. 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Chem. 49(21)-2006 6143-6146 > AR > 8.2007 $$$$ SciTegic07090714472D 25 28 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.8056 3.8679 0.0000 C 0 0 -3.3372 5.2929 0.0000 N 0 0 -1.3786 3.8595 0.0000 C 0 0 -1.8372 5.2877 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -5.2295 3.4020 0.0000 C 0 0 -0.2409 3.4780 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -6.3477 4.4031 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 -7.7740 3.9386 0.0000 C 0 0 -6.0369 5.8706 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 -7.1524 6.8735 0.0000 C 0 0 -8.8894 4.9415 0.0000 C 0 0 -8.5786 6.4089 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 4 1 0 6 1 2 0 7 8 1 0 8 13 2 0 9 2 1 0 10 4 2 0 11 6 1 0 12 14 2 0 13 15 1 0 14 11 1 0 15 11 2 0 16 9 1 0 17 7 1 0 18 7 1 0 19 16 1 0 20 16 2 0 21 18 1 0 22 17 1 0 23 20 1 0 24 19 2 0 25 23 2 0 5 3 1 0 8 12 1 0 25 24 1 0 21 22 1 0 M END > 77363 > Bioorg. Med. Chem. 10(5)-2002 1555-1566 > AR > 5.2518 $$$$ SciTegic07090714472D 25 28 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -1.8466 5.2908 0.0000 N 0 0 -1.3822 3.8645 0.0000 C 0 0 -3.3466 5.2898 0.0000 N 0 0 -3.8092 3.8630 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 -0.9652 6.5055 0.0000 C 0 0 -0.2429 3.4876 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -4.9480 3.4846 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 0.5291 6.4616 0.0000 C 0 0 -1.6826 7.8248 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 -0.8955 9.1017 0.0000 C 0 0 1.3162 7.7385 0.0000 C 0 0 0.6039 9.0586 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 5 2 0 5 1 1 0 6 1 2 0 7 10 1 0 8 2 1 0 9 3 2 0 10 13 1 0 11 6 1 0 12 14 1 0 13 15 2 0 14 11 2 0 15 11 1 0 16 5 1 0 17 7 1 0 18 7 1 0 19 8 1 0 20 8 2 0 21 18 1 0 22 17 1 0 23 20 1 0 24 19 2 0 25 23 2 0 2 4 1 0 12 10 2 0 24 25 1 0 22 21 1 0 M END > 77358 > Bioorg. Med. Chem. 10(5)-2002 1555-1566 > AR > 5.7212 $$$$ SciTegic07090714472D 25 27 0 0 0 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8942 -1.4964 0.0000 N 0 0 5.2020 -3.7435 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.8999 -2.9972 0.0000 C 0 0 6.4942 -1.4919 0.0000 C 0 0 5.1929 -0.7441 0.0000 C 0 0 7.9150 -1.4462 0.0000 C 0 0 7.1649 -2.7452 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -0.2452 -3.5926 0.0000 F 0 0 -2.3234 -3.6039 0.0000 F 0 0 -1.2810 -4.1981 0.0000 F 0 0 5.2066 -4.9435 0.0000 F 0 0 6.2434 -4.3397 0.0000 F 0 0 6.2391 -3.1399 0.0000 F 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 7 1 0 6 2 2 0 7 1 2 0 8 11 1 0 9 12 1 0 10 2 1 0 11 10 2 0 12 8 1 0 13 14 1 0 14 8 1 0 15 13 1 0 16 13 1 0 17 5 2 0 18 6 1 0 19 11 1 0 20 3 1 0 21 3 1 0 22 3 1 0 23 9 1 0 24 9 1 0 25 9 1 0 6 4 1 0 18 19 2 0 16 15 1 0 M END > 185255 > J. Med. Chem. 49(21)-2006 6143-6146 > AR > 8.1487 $$$$ SciTegic07090714472D 27 30 0 0 0 0 999 V2000 -0.8205 0.0000 0.0000 C 0 0 -0.8205 -1.5498 0.0000 C 0 0 -4.7013 -3.8160 0.0000 S 0 0 1.7503 -1.5498 0.0000 O 0 0 0.4558 0.6928 0.0000 C 0 0 0.4558 -2.2973 0.0000 C 0 0 1.7503 0.0000 0.0000 C 0 0 -4.7184 -2.3153 0.0000 N 0 0 -2.1332 0.6928 0.0000 C 0 0 -2.1332 -2.2973 0.0000 C 0 0 -5.7333 -4.4284 0.0000 O 0 0 -3.6552 -4.4039 0.0000 O 0 0 0.4558 2.1879 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 0.4512 -3.7980 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 -4.6871 -5.0159 0.0000 C 0 0 3.0631 0.6928 0.0000 C 0 0 -0.8477 2.9320 0.0000 O 0 0 3.0631 2.1879 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 1.7449 -4.5569 0.0000 C 0 0 -0.8531 -4.5391 0.0000 C 0 0 -0.8544 4.1320 0.0000 C 0 0 1.7346 -6.0569 0.0000 C 0 0 -0.8634 -6.0391 0.0000 C 0 0 0.4305 -6.7980 0.0000 C 0 0 2 1 2 0 3 8 1 0 4 7 1 0 5 1 1 0 6 2 1 0 7 5 2 0 8 14 1 0 9 1 1 0 10 2 1 0 11 3 2 0 12 3 2 0 13 5 1 0 14 16 1 0 15 6 1 0 16 9 2 0 17 3 1 0 18 7 1 0 19 13 1 0 20 21 1 0 21 13 2 0 22 15 1 0 23 15 2 0 24 19 1 0 25 22 2 0 26 23 1 0 27 26 2 0 6 4 1 0 14 10 2 0 18 20 2 0 25 27 1 0 M END > 173227 > Bioorg. Med. Chem. Lett. 14(9)-2004 2079-2082 > AR > 5.1854 $$$$ SciTegic07090714472D 27 29 0 0 0 0 999 V2000 2.5951 3.0039 0.0000 S 0 0 -0.0020 -3.0008 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 3.6331 3.6061 0.0000 O 0 0 1.5548 3.6021 0.0000 O 0 0 -1.3030 -3.7490 0.0000 C 0 0 1.2970 -3.7525 0.0000 C 0 0 2.5928 4.2039 0.0000 C 0 0 -2.6020 -2.9973 0.0000 C 0 0 2.5980 -3.0043 0.0000 C 0 0 2.1651 -1.2500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.9034 -3.7432 0.0000 C 0 0 3.8973 -3.7537 0.0000 C 0 0 2.5975 -1.5042 0.0000 C 0 0 -2.5975 -1.4972 0.0000 C 0 0 5.1961 -3.0032 0.0000 C 0 0 3.8962 -0.7537 0.0000 C 0 0 -3.8942 -0.7432 0.0000 C 0 0 -5.2001 -2.9892 0.0000 C 0 0 5.1955 -1.5032 0.0000 C 0 0 -5.1955 -1.4892 0.0000 C 0 0 2 4 1 0 3 6 2 0 4 3 1 0 5 1 1 0 6 5 1 0 7 1 2 0 8 1 2 0 9 2 1 0 10 2 1 0 11 1 1 0 12 9 1 0 13 10 1 0 14 3 1 0 15 17 1 0 16 6 1 0 17 16 2 0 18 12 1 0 19 13 2 0 20 13 1 0 21 12 2 0 22 19 1 0 23 20 2 0 24 21 1 0 25 18 2 0 26 23 1 0 27 24 2 0 4 15 2 0 22 26 2 0 25 27 1 0 M END > 173734 > Bioorg. Med. Chem. Lett. 14(9)-2004 2209-2212 > AR > 6.7696 $$$$ SciTegic07090714472D 27 29 0 0 1 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 2 0 0 0 -1.2964 1.4973 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8942 1.4964 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 5.1908 -0.4559 0.0000 O 0 0 -3.6486 1.3517 0.0000 O 0 0 9.0941 1.4873 0.0000 S 0 0 7.5343 2.0902 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 10.3928 0.7351 0.0000 C 0 0 12.9858 -0.7740 0.0000 C 0 0 14.0229 -1.3776 0.0000 F 0 0 -1.2928 -2.6973 0.0000 C 0 0 6.4963 2.6919 0.0000 C 0 0 11.6945 1.4805 0.0000 C 0 0 10.3877 -0.7650 0.0000 C 0 0 11.6841 -1.5195 0.0000 C 0 0 12.9909 0.7260 0.0000 C 0 0 2 9 1 0 3 7 1 0 4 2 1 0 5 1 1 0 6 5 1 0 7 1 2 0 8 3 2 0 9 12 1 0 10 1 1 0 11 7 1 0 12 10 2 0 13 4 1 0 14 2 2 0 15 6 2 0 16 13 1 0 4 17 1 1 18 12 1 0 19 16 1 0 20 26 2 0 21 20 1 0 22 3 1 0 23 4 1 0 24 19 1 0 25 19 2 0 26 25 1 0 27 24 2 0 18 11 2 0 6 8 1 0 20 27 1 0 M END > 147673 > J. Med. Chem. 48(4)-2005 917-925 > AR > 7.0400 $$$$ SciTegic07090714472D 29 31 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.6003 -1.4977 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8990 -0.7455 0.0000 N 0 0 -3.9038 5.2492 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 -2.6012 3.0004 0.0000 C 0 0 -7.5404 4.3430 0.0000 N 0 0 5.2003 -1.4932 0.0000 C 0 0 -6.5002 3.7446 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 2.6024 -2.6977 0.0000 O 0 0 6.4994 -0.7432 0.0000 N 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -2.8660 5.8515 0.0000 F 0 0 -4.9442 5.8472 0.0000 F 0 0 -3.9063 6.4492 0.0000 F 0 0 0.0000 2.7000 0.0000 C 0 0 0.0000 -2.7000 0.0000 C 0 0 7.7985 -1.4932 0.0000 C 0 0 5.2004 -2.9933 0.0000 C 0 0 7.7985 -2.9932 0.0000 C 0 0 6.4995 -3.7432 0.0000 C 0 0 2 1 1 0 3 9 1 0 4 2 1 0 5 6 1 0 6 12 1 0 7 3 1 0 8 1 1 0 9 10 1 0 10 1 1 0 11 8 1 0 12 7 2 0 13 15 3 0 14 4 1 0 15 16 1 0 16 20 1 0 17 2 2 0 18 14 1 0 19 7 1 0 20 19 2 0 21 5 1 0 22 5 1 0 23 5 1 0 11 24 1 1 10 25 1 6 26 18 2 0 27 14 2 0 28 29 2 0 29 27 1 0 11 3 1 0 26 28 1 0 6 16 2 0 M END > 166473 > J. Med. Chem. 49(2)-2006 716-726 > AR > 5.1079 $$$$ SciTegic07090714472D 30 32 0 0 1 0 999 V2000 -12.7130 0.6544 0.0000 C 0 0 -13.9881 -1.6118 0.0000 N 0 0 -14.0204 1.3915 0.0000 C 0 0 -12.6977 -0.8455 0.0000 C 0 0 -7.5151 0.7033 0.0000 C 0 0 -6.2216 1.4644 0.0000 C 0 0 2 0 0 0 -8.8215 1.4422 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -11.4218 1.4177 0.0000 C 0 0 -11.3910 -1.5821 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -13.9741 -2.8118 0.0000 O 0 0 -15.0345 -1.0243 0.0000 O 0 0 -10.1150 0.6811 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -7.5049 -0.4967 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -15.0538 0.7816 0.0000 F 0 0 -14.0323 2.5914 0.0000 F 0 0 -15.0655 1.9813 0.0000 F 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -5.1876 2.0734 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -10.0997 -0.8189 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -6.2318 2.6643 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 1 2 0 5 7 1 0 6 5 1 0 7 16 1 0 8 20 1 0 9 12 1 0 10 1 1 0 11 4 1 0 12 24 1 0 13 19 2 0 14 2 2 0 15 2 2 0 16 10 2 0 17 6 1 0 18 5 2 0 19 8 1 0 20 27 2 0 21 3 1 0 22 3 1 0 23 3 1 0 24 29 2 0 25 17 1 0 26 6 1 0 27 25 1 0 28 16 1 0 29 27 1 0 6 30 1 6 11 28 2 0 12 8 2 0 13 9 1 0 M END > 127113 > J. Med. Chem. 47(4)-2004 993-998 > AR > 7.7703 $$$$