SciTegic07090714462D 12 13 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 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 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 6 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 5 1 0 7 4 1 0 8 3 2 0 9 3 1 0 10 9 2 0 11 8 1 0 12 10 1 0 7 2 1 0 12 11 2 0 M END > 35286 > J. Med. Chem. 40(3)-1997 300-312 > D2 > 5.1675 $$$$ SciTegic07090714462D 12 13 0 0 1 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -2.6973 0.0000 F 0 0 -3.6486 1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 2 0 6 7 1 0 7 3 1 0 8 5 1 0 6 9 1 1 10 2 2 0 11 12 2 0 12 5 1 0 10 11 1 0 4 6 1 0 M END > 33942 > J. Med. Chem. 39(22)-1996 4421-4429 > D2 > 6.0635 $$$$ SciTegic07090714462D 13 14 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.0244 4.0756 0.0000 N 0 0 -3.3560 1.3452 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 3 2 0 5 1 1 0 6 2 2 0 7 5 2 0 8 9 2 0 9 7 1 0 10 13 1 0 11 8 1 0 12 4 1 0 13 12 1 0 4 2 1 0 6 8 1 0 M END > 158258 > J. Med. Chem. 39(4)-1996 850-859 > D2 > 3.7375 $$$$ SciTegic07090714462D 13 13 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0020 -3.0008 0.0000 C 0 0 1 0 0 0 2.3383 1.3500 0.0000 O 0 0 1.2942 -5.2546 0.0000 N 0 0 0.0000 2.7000 0.0000 O 0 0 -1.0422 -3.5991 0.0000 O 0 0 1.2962 -3.7538 0.0000 C 0 0 2.3323 -5.8567 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 2 2 0 5 3 1 0 6 5 2 0 7 3 1 0 8 2 1 0 9 12 1 0 10 4 1 0 7 11 1 6 12 7 1 0 13 9 1 0 6 4 1 0 M END > 158259 > J. Med. Chem. 39(4)-1996 850-859 > D2 > 3.8928 $$$$ SciTegic07090714462D 13 14 0 0 0 0 999 V2000 0.0000 -0.7623 0.0000 C 0 0 2.9404 0.0000 0.0000 N 0 0 0.7442 -1.6517 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2.2325 -1.4158 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 -1.5141 -2.7244 0.0000 O 0 0 4.1404 -0.0031 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 1 2 0 5 1 1 0 6 3 1 0 7 4 1 0 8 7 1 0 9 5 1 0 10 2 1 0 11 13 1 0 12 4 1 0 13 5 2 0 11 12 2 0 2 8 1 0 M END > 12261 > J. Med. Chem. 35(22)-1992 3984-3990 > D2 > 4.8239 $$$$ SciTegic07090714462D 14 16 0 0 0 0 999 V2000 0.0000 0.7068 0.0000 C 0 0 0.9498 1.8334 0.0000 C 0 0 0.6627 -0.5522 0.0000 C 0 0 -1.5683 0.7068 0.0000 C 0 0 2.2973 1.1928 0.0000 S 0 0 2.1205 -0.2651 0.0000 C 0 0 -2.3414 -0.5743 0.0000 C 0 0 -3.9539 1.2370 0.0000 N 0 0 -2.5402 1.8334 0.0000 N 0 0 0.0000 -1.8555 0.0000 C 0 0 -1.6125 -1.8776 0.0000 C 0 0 -3.8214 -0.2430 0.0000 C 0 0 0.6959 3.0062 0.0000 C 0 0 2.9998 -1.0817 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 4 2 0 8 9 1 0 9 4 1 0 10 3 1 0 11 7 1 0 12 7 1 0 13 2 1 0 14 6 1 0 6 5 1 0 8 12 2 0 11 10 1 0 M END > 119226 > Bioorg. Med. Chem. Lett. 13(17)-2003 2921-2924 > D2 > 5.3803 $$$$ SciTegic07090714462D 14 15 0 0 0 0 999 V2000 -4.2919 -1.4230 0.0000 N 0 0 -5.1640 -0.2295 0.0000 C 0 0 -2.8689 -0.9181 0.0000 C 0 0 -4.3608 0.9869 0.0000 S 0 0 -2.9378 0.5738 0.0000 C 0 0 0.3672 0.0000 0.0000 N 0 0 -1.6754 -1.7673 0.0000 C 0 0 -1.7902 1.5836 0.0000 C 0 0 -6.3637 -0.2580 0.0000 N 0 0 -0.3213 1.2853 0.0000 C 0 0 0.0000 -1.3541 0.0000 C 0 0 2.4812 1.5203 0.0000 C 0 0 3.6751 1.6412 0.0000 C 0 0 1.8647 0.1520 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 2 0 6 11 1 0 7 3 1 0 8 5 1 0 9 2 1 0 10 8 1 0 11 7 1 0 12 14 1 0 13 12 2 0 14 6 1 0 5 4 1 0 6 10 1 0 M END > 40300 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 5.5686 $$$$ SciTegic07090714462D 14 16 0 0 1 0 999 V2000 -1.2594 0.9674 0.0000 N 0 0 0.8944 2.4276 0.0000 N 0 0 -0.9674 2.4458 0.0000 C 0 0 0.0000 0.2373 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 1.2777 0.9674 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 -2.5371 -1.2229 0.0000 C 0 0 1 0 0 0 -3.8354 -1.9763 0.0000 N 0 0 1.2777 -1.9530 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 -3.8336 -3.1763 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 1 1 0 5 4 1 0 6 4 2 0 7 1 1 0 8 9 1 0 9 7 1 0 9 10 1 1 11 5 2 0 12 13 2 0 13 6 1 0 14 10 1 0 6 2 1 0 5 8 1 0 11 12 1 0 M END > 35593 > J. Med. Chem. 40(5)-1997 639-646 > D2 > 6.4498 $$$$ SciTegic07090714462D 15 17 0 0 0 0 999 V2000 -0.3434 -0.8676 0.0000 C 0 0 -0.9941 -2.2412 0.0000 C 0 0 -1.1025 0.4157 0.0000 C 0 0 1.1567 -1.0845 0.0000 C 0 0 0.1084 -3.2895 0.0000 S 0 0 1.4098 -2.5665 0.0000 C 0 0 -0.5422 1.8255 0.0000 C 0 0 -2.9822 1.9701 0.0000 N 0 0 -2.5846 0.5061 0.0000 N 0 0 -1.7171 2.8015 0.0000 C 0 0 2.2412 0.0000 0.0000 C 0 0 -2.1738 -2.4609 0.0000 C 0 0 2.4917 -3.0856 0.0000 C 0 0 0.8676 2.2593 0.0000 C 0 0 2.0785 1.3917 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 2 0 7 3 2 0 8 9 1 0 9 3 1 0 10 7 1 0 11 4 1 0 12 2 1 0 13 6 1 0 14 7 1 0 15 11 1 0 6 5 1 0 14 15 1 0 8 10 2 0 M END > 119228 > Bioorg. Med. Chem. Lett. 13(17)-2003 2921-2924 > D2 > 5.6849 $$$$ SciTegic07090714462D 15 17 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9982 3.0140 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -0.9680 6.0137 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.2894 3.7767 0.0000 C 0 0 0.3086 3.7509 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 0.3235 5.2508 0.0000 C 0 0 -2.2745 5.2767 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 1 2 0 7 13 1 0 8 6 1 0 9 2 2 0 10 3 1 0 11 3 1 0 12 15 2 0 13 11 1 0 14 10 1 0 15 6 1 0 5 8 2 0 12 9 1 0 7 14 1 0 M END > 35288 > J. Med. Chem. 40(3)-1997 300-312 > D2 > 6.1079 $$$$ SciTegic07090714462D 15 17 0 0 1 0 999 V2000 0.6405 0.8968 0.0000 C 0 0 2 0 0 0 1.9399 0.1464 0.0000 C 0 0 2 0 0 0 -0.6588 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 0.9517 2.3608 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -1.9326 2.0967 0.0000 Br 0 0 4.2483 0.9031 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 2 1 1 0 3 1 1 0 2 4 1 6 1 5 1 6 6 2 1 0 7 5 1 0 8 3 1 0 9 3 2 0 10 8 1 0 11 9 1 0 12 4 1 0 13 15 2 0 14 8 2 0 15 9 1 0 4 7 1 0 14 13 1 0 10 6 1 0 M END > 21616 > J. Med. Chem. 38(4)-1995 725-734 > D2 > 7.3872 $$$$ SciTegic07090714462D 15 17 0 0 1 0 999 V2000 0.4558 0.6928 0.0000 C 0 0 1.7503 0.0000 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 1 0 0 0 1.7503 -1.5498 0.0000 C 0 0 -0.8205 -1.5498 0.0000 C 0 0 1 0 0 0 -2.1332 -2.2973 0.0000 N 0 0 3.0631 0.6928 0.0000 C 0 0 0.4558 -2.2973 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 4.0907 0.0732 0.0000 O 0 0 -2.1332 0.6928 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 1 0 5 6 1 6 7 2 1 0 8 5 1 0 9 1 1 0 10 7 1 0 3 11 1 1 12 9 2 0 13 15 1 0 14 12 1 0 15 11 1 0 7 14 2 0 8 4 1 0 13 6 1 0 M END > 69114 > J. Med. Chem. 36(10)-1993 1301-1315 > D2 > 7.4202 $$$$ SciTegic07090714462D 16 19 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 3.6065 0.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 3.3339 -2.5831 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 5.3137 -3.8361 0.0000 F 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 1 1 0 6 3 2 0 7 5 1 0 8 2 1 0 9 7 1 0 10 3 1 0 5 11 1 6 12 6 1 0 13 10 2 0 14 11 1 0 15 13 1 0 16 13 1 0 6 4 1 0 9 14 1 6 9 8 1 0 15 12 2 0 M END > 84213 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 4.4365 $$$$ SciTegic07090714462D 16 18 0 0 1 0 999 V2000 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 1 0 0 0 0.7168 -1.4214 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 3.3044 -1.4214 0.0000 N 0 0 -2.8792 0.0850 0.0000 N 0 0 1.9924 0.8382 0.0000 C 0 0 1 0 0 0 0.7168 1.5915 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 3.3133 -2.9221 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 4.6171 -3.6655 0.0000 C 0 0 4.6243 -4.8655 0.0000 C 0 0 2 1 1 0 3 4 1 6 4 1 1 0 5 2 2 0 6 3 1 0 7 10 1 0 8 3 1 0 9 2 1 0 10 1 2 0 11 6 1 0 12 6 1 0 8 13 1 1 14 13 1 0 15 12 1 0 16 15 1 0 7 5 1 0 8 9 1 0 14 11 1 0 M END > 139751 > J. Med. Chem. 36(2)-1993 221-228 > D2 > 5.0969 $$$$ SciTegic07090714462D 16 18 0 0 0 0 999 V2000 1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 N 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 5.0387 1.5727 0.0000 C 0 0 6.3375 0.8207 0.0000 C 0 0 7.3779 1.4188 0.0000 C 0 0 2 4 1 0 3 5 2 0 4 1 2 0 5 1 1 0 6 1 1 0 7 6 1 0 8 5 1 0 9 2 1 0 10 4 1 0 11 12 1 0 12 10 2 0 13 7 1 0 14 7 1 0 15 14 1 0 16 15 1 0 2 3 1 0 8 13 1 0 11 9 2 0 M END > 62192 > Bioorg. Med. Chem. Lett. 12(17)-2002 2377-2380 > D2 > 5.5086 $$$$ SciTegic07090714462D 16 18 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2919 2.9980 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2844 5.9982 0.0000 N 0 0 1.2964 -1.4973 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.5891 3.7515 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0127 5.2449 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 12 1 0 7 4 1 0 8 2 2 0 9 3 1 0 10 3 1 0 11 14 2 0 12 10 1 0 13 9 1 0 14 4 1 0 15 5 1 0 16 15 1 0 16 7 1 0 8 11 1 0 13 6 1 0 M END > 35289 > J. Med. Chem. 40(3)-1997 300-312 > D2 > 5.9586 $$$$ SciTegic07090714462D 17 19 0 0 0 0 999 V2000 0.0000 -0.7623 0.0000 C 0 0 2.9404 0.0000 0.0000 N 0 0 5.1878 1.3090 0.0000 C 0 0 0.7442 -1.6517 0.0000 C 0 0 6.4372 1.9870 0.0000 C 0 0 5.1339 2.7295 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 4.4422 0.0064 0.0000 C 0 0 2.2325 -1.4158 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 -1.5580 -3.0236 0.0000 O 0 0 -2.8315 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -2.6239 -3.5748 0.0000 C 0 0 2 10 1 0 3 9 1 0 4 1 1 0 5 3 1 0 6 3 1 0 7 1 2 0 8 1 1 0 9 2 1 0 10 4 1 0 11 7 1 0 12 11 1 0 13 8 1 0 14 16 1 0 15 7 1 0 16 8 2 0 17 13 1 0 14 15 2 0 2 12 1 0 6 5 1 0 M END > 12257 > J. Med. Chem. 35(22)-1992 3984-3990 > D2 > 5.1192 $$$$ SciTegic07090714462D 17 19 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 7.7622 3.7904 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 1 1 0 7 4 1 0 8 5 1 0 9 5 1 0 10 9 1 0 11 8 1 0 12 10 1 0 13 4 2 0 14 7 2 0 15 12 1 0 16 13 1 0 17 16 2 0 2 7 1 0 14 17 1 0 11 12 1 0 M END > 30742 > J. Med. Chem. 39(10)-1996 1941-1942 > D2 > 5.2596 $$$$ SciTegic07090714462D 17 19 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 N 0 0 -1.2964 -1.4973 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 -5.2640 0.8910 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.3396 3.5967 0.0000 C 0 0 -5.5014 3.3065 0.0000 C 0 0 -6.2601 2.0125 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 6 1 0 5 2 1 0 6 1 1 0 7 1 2 0 8 4 1 0 9 7 1 0 10 3 1 0 11 3 1 0 12 14 2 0 13 6 2 0 14 7 1 0 15 9 1 0 16 11 1 0 17 10 1 0 12 13 1 0 8 5 1 0 17 16 1 0 M END > 17000 > J. Med. Chem. 37(12)-1994 1779-1793 > D2 > 5.6021 $$$$ SciTegic07090714462D 17 20 0 0 1 0 999 V2000 0.7085 -1.5233 0.0000 C 0 0 3.4895 -0.4605 0.0000 C 0 0 1 0 0 0 0.9565 0.0000 0.0000 C 0 0 3.2592 -1.9485 0.0000 C 0 0 2 0 0 0 -0.3897 0.6377 0.0000 N 0 0 2.3736 0.4783 0.0000 C 0 0 4.4283 -2.9050 0.0000 N 0 0 4.9066 0.0531 0.0000 C 0 0 -1.4525 -0.4605 0.0000 N 0 0 1.8776 -2.4799 0.0000 C 0 0 -0.7617 -1.7182 0.0000 C 0 0 6.0934 -0.8857 0.0000 C 0 0 5.8454 -2.3736 0.0000 C 0 0 5.1723 1.5411 0.0000 C 0 0 7.5104 -0.3543 0.0000 C 0 0 6.5539 2.0725 0.0000 C 0 0 7.7407 1.1159 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 10 1 6 5 3 2 0 6 3 1 0 7 4 1 0 8 2 1 0 9 11 1 0 10 1 1 0 11 1 2 0 12 13 1 0 13 7 1 0 14 8 1 0 15 12 1 0 16 14 2 0 17 15 2 0 9 5 1 0 2 6 1 1 8 12 2 0 16 17 1 0 M END > 123235 > J. Med. Chem. 42(5)-1999 935-940 > D2 > 6.1931 $$$$ SciTegic07090714462D 17 19 0 0 1 0 999 V2000 1.9500 1.0000 0.0000 C 0 0 1 0 0 0 4.1900 1.4800 0.0000 N 0 0 3.3200 0.2200 0.0000 C 0 0 2 0 0 0 2.8400 2.2700 0.0000 C 0 0 0.5700 0.2200 0.0000 C 0 0 3.3200 -1.3200 0.0000 C 0 0 0.5700 -1.3200 0.0000 C 0 0 -0.7800 1.0000 0.0000 C 0 0 1.9500 -2.1000 0.0000 C 0 0 5.6478 1.8037 0.0000 C 0 0 -0.7738 2.5002 0.0000 O 0 0 -2.1500 -1.3200 0.0000 C 0 0 -0.7800 -2.1000 0.0000 C 0 0 -2.1500 0.2200 0.0000 C 0 0 -1.8101 3.1052 0.0000 C 0 0 6.0997 3.2349 0.0000 C 0 0 7.2711 3.4949 0.0000 C 0 0 2 4 1 0 3 1 1 0 1 4 1 6 5 1 1 0 6 3 1 0 7 5 1 0 8 5 2 0 9 7 1 0 10 2 1 0 11 8 1 0 12 14 2 0 13 7 2 0 14 8 1 0 15 11 1 0 16 10 1 0 17 16 1 0 3 2 1 6 13 12 1 0 9 6 1 0 M END > 69102 > J. Med. Chem. 36(10)-1993 1301-1315 > D2 > 6.4828 $$$$ SciTegic07090714462D 17 19 0 0 1 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1 0 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.7889 0.0269 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 O 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 1 2 0 2 7 1 6 8 4 2 0 3 9 1 1 10 6 1 0 11 10 2 0 12 10 1 0 13 7 2 0 14 7 1 0 15 14 2 0 16 13 1 0 17 15 1 0 3 5 1 0 8 11 1 0 16 17 2 0 M END > 33722 > J. Med. Chem. 39(21)-1996 4238-4246 > D2 > 9.0506 $$$$ SciTegic07090714462D 18 20 0 0 0 0 999 V2000 -3.6737 0.0784 0.0000 C 0 0 -2.4416 -2.0832 0.0000 C 0 0 -3.6737 -1.3328 0.0000 C 0 0 -1.1872 -2.7888 0.0000 N 0 0 -1.1760 0.0784 0.0000 O 0 0 -2.4416 0.7952 0.0000 C 0 0 -1.1760 -1.3328 0.0000 C 0 0 -4.9281 0.7952 0.0000 C 0 0 -5.9660 0.1929 0.0000 O 0 0 -1.1872 -4.2113 0.0000 C 0 0 -3.6737 -2.7888 0.0000 C 0 0 0.1127 -2.0376 0.0000 C 0 0 -3.6737 -4.2113 0.0000 C 0 0 -3.6737 2.9456 0.0000 C 0 0 -2.4416 2.2400 0.0000 C 0 0 -4.9281 2.2400 0.0000 C 0 0 1.4132 -2.7868 0.0000 C 0 0 2.4522 -2.1864 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 6 1 0 6 1 1 0 7 5 1 0 8 1 2 0 9 8 1 0 10 4 1 0 11 2 1 0 12 4 1 0 13 11 1 0 14 16 2 0 15 6 2 0 16 8 1 0 17 12 1 0 18 17 1 0 15 14 1 0 2 7 1 0 10 13 1 0 M END > 33819 > J. Med. Chem. 39(21)-1996 4285-4298 > D2 > 4.1463 $$$$ SciTegic07090714462D 18 19 0 0 0 0 999 V2000 5.1872 7.5118 0.0000 N 0 0 3.8933 3.7570 0.0000 N 0 0 5.1894 6.0109 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 2.5972 1.5031 0.0000 C 0 0 6.3977 8.3758 0.0000 C 0 0 3.9707 8.3674 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 4.9336 3.1588 0.0000 C 0 0 5.9292 9.8008 0.0000 C 0 0 4.4292 9.7955 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 8 2 0 5 4 1 0 6 3 1 0 7 2 1 0 8 10 1 0 9 5 1 0 10 7 1 0 11 1 1 0 12 1 1 0 13 15 2 0 14 13 1 0 15 8 1 0 16 2 1 0 17 11 1 0 18 12 1 0 18 17 1 0 14 5 2 0 M END > 6074 > J. Med. Chem. 35(1)-1992 38-47 > D2 > 5.1873 $$$$ SciTegic07090714462D 18 20 0 0 1 0 999 V2000 -1.2989 0.7501 0.0000 C 0 0 2 0 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 -2.5978 1.5002 0.0000 N 0 0 1.2806 0.7501 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 2 0 0 0 -3.9017 3.7496 0.0000 C 0 0 -4.9418 4.3481 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 -2.6009 3.0010 0.0000 C 0 0 2.6015 -2.7002 0.0000 O 0 0 -3.8968 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 2 4 1 0 1 3 1 1 7 4 1 6 5 1 1 0 6 3 1 0 7 1 1 0 8 11 1 0 9 8 3 0 10 2 2 0 11 5 1 0 12 10 1 0 13 5 1 0 14 6 2 0 15 7 1 0 16 15 1 0 17 14 1 0 18 10 1 0 6 2 1 0 13 16 1 0 17 18 2 0 M END > 47419 > J. Med. Chem. 41(21)-1998 4165-4170 > D2 > 5.2916 $$$$ SciTegic07090714462D 18 20 0 0 1 0 999 V2000 0.0000 -0.7623 0.0000 C 0 0 0.7442 -1.6517 0.0000 C 0 0 1 0 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2.9404 0.0000 0.0000 N 0 0 0.2177 -3.0571 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 2.2325 -1.4158 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -3.8685 -1.3662 0.0000 O 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 1.1747 -4.2127 0.0000 C 0 0 -1.2610 -3.3085 0.0000 C 0 0 -1.7830 -4.7148 0.0000 C 0 0 0.6526 -5.6189 0.0000 C 0 0 -0.8262 -5.8700 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 9 1 0 2 6 1 6 7 3 2 0 8 4 1 0 9 2 1 0 10 8 2 0 11 8 1 0 12 13 1 0 13 3 1 0 14 6 1 0 15 6 2 0 16 15 1 0 17 14 2 0 18 16 2 0 10 7 1 0 5 12 1 0 18 17 1 0 M END > 6077 > J. Med. Chem. 35(1)-1992 67-72 > D2 > 5.3558 $$$$ SciTegic07090714462D 18 21 0 0 0 0 999 V2000 -1.2594 0.9674 0.0000 N 0 0 -0.9674 2.4458 0.0000 C 0 0 0.8944 2.4276 0.0000 N 0 0 0.0000 0.2373 0.0000 C 0 0 1.2777 0.9674 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 -1.7247 3.3767 0.0000 O 0 0 -6.4385 -1.9667 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 -7.8593 -1.9212 0.0000 C 0 0 -7.1091 -3.2202 0.0000 C 0 0 -2.5371 -1.2229 0.0000 C 0 0 -3.8385 -1.9710 0.0000 N 0 0 -5.1373 -1.2188 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 1.2777 -1.9530 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 2 0 6 4 1 0 7 1 1 0 8 2 2 0 9 15 1 0 10 13 1 0 11 9 1 0 12 9 1 0 13 7 1 0 14 13 1 0 15 14 1 0 16 5 1 0 17 6 2 0 18 17 1 0 5 3 1 0 10 6 1 0 18 16 2 0 11 12 1 0 M END > 7899 > J. Med. Chem. 35(6)-1992 1076-1092 > D2 > 5.3984 $$$$ SciTegic07090714462D 18 20 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.6323 6.6070 0.0000 N 0 0 -2.5941 6.0054 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 3.3408 -4.2142 0.0000 C 0 0 1.8408 -4.2089 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2979 3.7529 0.0000 C 0 0 -1.2955 5.2529 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.3002 3.7488 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.3026 5.2488 0.0000 C 0 0 0.0047 6.0009 0.0000 C 0 0 2 3 3 0 3 12 1 0 4 10 1 0 7 5 1 1 6 1 1 0 7 6 1 0 8 4 1 0 9 4 1 0 10 1 1 0 11 5 2 0 12 11 1 0 13 1 1 0 14 5 1 0 15 13 1 0 16 15 1 0 17 14 2 0 18 17 1 0 7 16 1 0 9 8 1 0 12 18 2 0 M END > 18606 > J. Med. Chem. 37(17)-1994 2735-2753 > D2 > 5.5086 $$$$ SciTegic07090714462D 18 21 0 0 1 0 999 V2000 0.7849 1.3839 0.0000 C 0 0 -1.7557 0.0000 0.0000 C 0 0 1 0 0 0 -1.7557 1.3839 0.0000 C 0 0 2 0 0 0 -0.4751 -0.8262 0.0000 C 0 0 -3.0570 2.1275 0.0000 N 0 0 0.8056 0.0000 0.0000 C 0 0 -0.4751 2.1275 0.0000 C 0 0 2.1895 1.8383 0.0000 C 0 0 3.0570 0.6403 0.0000 N 0 0 2.1895 -0.5370 0.0000 C 0 0 -4.3376 1.3839 0.0000 C 0 0 -3.0570 -0.8262 0.0000 C 0 0 -4.3376 0.0000 0.0000 C 0 0 2 0 0 0 -0.4338 -2.3134 0.0000 C 0 0 -5.3914 -0.5742 0.0000 N 0 0 -3.0612 3.3275 0.0000 C 0 0 0.8262 -3.0570 0.0000 C 0 0 2.4993 -1.9623 0.0000 C 0 0 2 3 1 0 3 7 1 6 4 6 1 0 5 3 1 0 6 1 1 0 7 1 1 0 8 1 2 0 9 8 1 0 10 6 2 0 11 5 1 0 2 12 1 1 13 11 1 0 14 4 2 0 13 15 1 6 16 5 1 0 17 18 2 0 18 10 1 0 9 10 1 0 2 4 1 0 17 14 1 0 12 13 1 0 M END > 78752 > Bioorg. Med. Chem. 10(11)-2002 3523-3528 > D2 > 5.7620 $$$$ SciTegic07090714462D 18 19 0 0 0 0 999 V2000 -2.6109 7.4996 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -0.0031 3.0008 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -1.3070 5.2502 0.0000 C 0 0 -3.8245 8.3594 0.0000 C 0 0 -1.3974 8.3594 0.0000 C 0 0 -2.3421 3.1476 0.0000 C 0 0 -3.3610 9.7860 0.0000 C 0 0 -1.8610 9.7860 0.0000 C 0 0 2 4 1 0 3 6 1 0 4 5 2 0 5 8 1 0 6 11 2 0 7 13 1 0 8 7 1 0 9 1 1 0 10 2 1 0 11 5 1 0 12 3 1 0 13 9 1 0 14 1 1 0 15 1 1 0 16 7 1 0 17 14 1 0 18 15 1 0 17 18 1 0 3 2 2 0 M END > 6070 > J. Med. Chem. 35(1)-1992 38-47 > D2 > 5.8857 $$$$ SciTegic07090714462D 18 21 0 0 1 0 999 V2000 3.0746 1.1530 0.0000 N 0 0 0.6405 0.8968 0.0000 C 0 0 2 0 0 0 1.9399 0.1464 0.0000 C 0 0 1 0 0 0 -0.6588 0.1464 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 4.5407 0.8460 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 5.5423 1.9638 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 6.9059 2.3656 0.0000 C 0 0 5.7866 3.3642 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -1.9326 2.0967 0.0000 Br 0 0 -3.2576 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 2 3 1 0 3 1 1 6 4 2 1 0 5 9 1 0 6 1 1 0 7 3 1 0 8 6 1 0 9 1 1 0 10 8 1 0 11 8 1 0 12 14 1 0 13 4 2 0 14 7 1 0 15 13 1 0 16 17 1 0 17 12 2 0 18 13 1 0 2 5 1 6 11 10 1 0 4 12 1 0 18 16 2 0 M END > 21620 > J. Med. Chem. 38(4)-1995 725-734 > D2 > 6.9245 $$$$ SciTegic07090714462D 18 21 0 0 1 0 999 V2000 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 2 0 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 1 0 0 0 1.9924 -0.6682 0.0000 C 0 0 -2.4731 -2.5529 0.0000 C 0 0 -3.9422 -2.8601 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -4.9728 -3.8392 0.0000 C 0 0 -5.2767 -2.3703 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 3.3068 2.7915 0.0000 O 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 2 1 1 1 3 5 1 0 4 2 1 0 5 6 1 0 6 2 1 0 7 4 1 0 8 1 1 0 9 8 1 0 10 1 1 0 11 9 1 0 12 9 1 0 13 3 2 0 14 10 1 0 15 13 1 0 16 7 2 0 17 16 1 0 18 13 1 0 6 14 1 6 11 12 1 0 3 7 1 0 18 17 2 0 M END > 68789 > J. Med. Chem. 36(8)-1993 1069-1083 > D2 > 6.9281 $$$$ SciTegic07090714462D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 -0.0031 -3.0008 0.0000 O 0 0 -3.9117 -8.2482 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -3.9170 -9.7482 0.0000 C 0 0 -5.2082 -7.4937 0.0000 C 0 0 -6.5099 -8.2392 0.0000 C 0 0 -5.2186 -10.4937 0.0000 C 0 0 -6.5150 -9.7392 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 12 1 0 5 2 1 0 6 3 1 0 7 9 1 0 8 11 2 0 9 4 1 0 10 2 2 0 11 3 1 0 12 13 1 0 13 6 1 0 14 7 1 0 15 7 2 0 16 15 1 0 17 14 2 0 18 16 2 0 10 8 1 0 18 17 1 0 M END > 52014 > J. Med. Chem. 42(11)-1999 2007-2020 > D2 > 6.9393 $$$$ SciTegic07090714462D 18 21 0 0 0 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -4.5551 0.9006 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -5.9105 0.2888 0.0000 C 0 0 -4.6828 2.3824 0.0000 C 0 0 -6.1479 2.7042 0.0000 C 0 0 -6.9066 1.4103 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 7 1 0 7 2 2 0 8 1 2 0 9 10 2 0 10 2 1 0 11 13 1 0 12 14 2 0 13 8 1 0 14 8 1 0 15 4 1 0 16 4 1 0 17 16 1 0 18 15 1 0 12 7 1 0 11 5 1 0 6 9 1 0 18 17 1 0 M END > 23477 > J. Med. Chem. 38(12)-1995 2217-2230 > D2 > 7.0269 $$$$ SciTegic07090714462D 19 22 0 0 1 0 999 V2000 -2.8236 -2.1289 0.0000 C 0 0 -1.5238 -1.3894 0.0000 C 0 0 2 0 0 0 -1.5687 0.1345 0.0000 C 0 0 1.0756 -1.3670 0.0000 N 0 0 -0.2241 -2.1289 0.0000 C 0 0 2 0 0 0 -2.8236 -3.6079 0.0000 C 0 0 -4.1233 -1.3894 0.0000 C 0 0 -0.2465 0.9188 0.0000 C 0 0 1.0532 0.1345 0.0000 C 0 0 -1.5238 -4.3250 0.0000 C 0 0 -0.2241 -3.6079 0.0000 C 0 0 -4.1233 -4.3250 0.0000 C 0 0 -5.4230 -2.1289 0.0000 C 0 0 -5.4230 -3.6079 0.0000 C 0 0 -6.4604 -1.5256 0.0000 O 0 0 -2.9132 0.9188 0.0000 C 0 0 -0.2689 2.3978 0.0000 C 0 0 -2.9132 2.3754 0.0000 C 0 0 -1.5911 3.1597 0.0000 C 0 0 2 1 1 6 3 2 1 0 5 4 1 6 5 2 1 0 6 1 1 0 7 1 2 0 8 3 2 0 9 4 1 0 10 6 1 0 11 10 1 0 12 6 2 0 13 7 1 0 14 13 2 0 15 13 1 0 16 3 1 0 17 8 1 0 18 16 2 0 19 18 1 0 14 12 1 0 5 11 1 0 9 8 1 0 17 19 2 0 M END > 21276 > J. Med. Chem. 38(2)-1995 318-327 > D2 > 4.8097 $$$$ SciTegic07090714462D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1924 -7.2070 0.0000 Cl 0 0 7.5307 -5.8571 0.0000 Cl 0 0 5.1925 -3.0070 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.6331 3.6060 0.0000 C 0 0 2 11 1 0 3 5 1 0 4 6 1 0 5 12 2 0 6 15 2 0 7 1 1 0 8 1 1 0 9 1 1 0 10 8 1 0 11 9 1 0 12 16 1 0 13 3 1 0 14 4 1 0 15 12 1 0 16 7 1 0 17 2 1 0 18 17 1 0 19 18 1 0 10 2 1 0 3 4 2 0 M END > 9830 > J. Med. Chem. 35(12)-1992 2221-2230 > D2 > 5.5373 $$$$ SciTegic07090714462D 19 21 0 0 1 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 1.2964 -2.6973 0.0000 F 0 0 -5.2049 3.7560 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 2 0 7 6 1 1 7 8 1 0 8 3 1 0 9 6 1 0 10 5 1 0 11 9 1 0 12 2 2 0 13 14 2 0 14 5 1 0 15 11 2 0 16 11 1 0 17 16 2 0 18 15 1 0 19 17 1 0 13 12 1 0 4 7 1 0 18 19 2 0 M END > 33941 > J. Med. Chem. 39(22)-1996 4421-4429 > D2 > 5.5482 $$$$ SciTegic07090714462D 19 22 0 0 1 0 999 V2000 -2.4140 -1.5806 0.0000 C 0 0 -2.4140 0.0000 0.0000 C 0 0 -1.0921 0.6322 0.0000 C 0 0 2 0 0 0 0.1437 0.0000 0.0000 C 0 0 0.1437 -1.5806 0.0000 C 0 0 -1.0921 -2.3278 0.0000 C 0 0 -3.7072 -2.3278 0.0000 C 0 0 -3.7072 0.6322 0.0000 C 0 0 0.1437 2.8738 0.0000 N 0 0 -5.0292 -1.5806 0.0000 C 0 0 1.4657 0.6322 0.0000 C 0 0 -5.0292 0.0000 0.0000 C 0 0 -1.0921 2.1266 0.0000 C 0 0 -3.7016 -3.5278 0.0000 O 0 0 1.4657 2.1266 0.0000 C 0 0 1.4657 -2.3278 0.0000 C 0 0 -6.0657 -2.1854 0.0000 O 0 0 2.8164 -1.5806 0.0000 C 0 0 2.7876 0.0000 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 2 0 5 6 1 0 6 1 1 0 7 1 2 0 8 2 2 0 9 13 1 0 10 7 1 0 11 4 1 0 12 10 2 0 3 13 1 1 14 7 1 0 15 11 1 0 16 5 1 0 17 10 1 0 18 16 2 0 19 18 1 0 8 12 1 0 3 4 1 0 19 11 2 0 15 9 1 0 M END > 96715 > J. Med. Chem. 45(17)-2002 3660-3668 > D2 > 5.8239 $$$$ SciTegic07090714462D 19 21 0 0 1 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.2401 -2.6164 0.0000 N 0 0 4.8506 -1.2602 0.0000 C 0 0 1 0 0 0 2.0825 2.3453 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 5.3626 -3.6114 0.0000 C 0 0 2.7753 -2.9312 0.0000 C 0 0 6.3324 -1.3865 0.0000 C 0 0 6.6557 -2.8512 0.0000 C 0 0 2.4063 -4.0730 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 1 0 5 1 1 0 6 1 1 0 7 8 1 0 8 6 1 6 9 2 2 0 10 3 2 0 11 4 2 0 12 10 1 0 13 11 1 0 14 12 1 0 15 7 1 0 16 7 1 0 17 8 1 0 18 17 1 0 19 16 1 0 4 3 1 0 18 15 1 0 13 12 2 0 M END > 72895 > J. Med. Chem. 36(22)-1993 3417-3423 > D2 > 5.8861 $$$$ SciTegic07090714462D 19 21 0 0 0 0 999 V2000 -2.7390 2.9810 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -6.1478 1.8630 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 12 1 0 7 2 1 0 8 6 1 0 9 7 1 0 10 7 1 0 11 9 1 0 12 10 1 0 13 8 1 0 14 5 1 0 15 13 1 0 16 13 2 0 17 16 1 0 18 15 2 0 19 17 2 0 5 3 2 0 11 6 1 0 19 18 1 0 M END > 38113 > J. Med. Chem. 40(15)-1997 2374-2385 > D2 > 6.1871 $$$$ SciTegic07090714462D 19 22 0 0 1 0 999 V2000 0.1872 0.3744 0.0000 C 0 0 1 0 0 0 -2.4334 0.4212 0.0000 C 0 0 -3.7203 1.1699 0.0000 N 0 0 0.1872 -1.0295 0.0000 C 0 0 2 0 0 0 -1.0997 1.1699 0.0000 C 0 0 1.4975 -1.8485 0.0000 N 0 0 -2.4334 -1.0997 0.0000 C 0 0 -5.0306 0.3744 0.0000 C 0 0 1.4975 1.1231 0.0000 C 0 0 -5.0306 -1.0295 0.0000 N 0 0 -1.0997 -1.8485 0.0000 C 0 0 -3.7203 -1.8485 0.0000 C 0 0 2.8078 0.3744 0.0000 C 0 0 2.8078 -1.0295 0.0000 C 0 0 -6.0764 0.9629 0.0000 N 0 0 1.4975 2.6206 0.0000 C 0 0 4.0947 1.1231 0.0000 C 0 0 2.8078 3.3928 0.0000 C 0 0 4.0947 2.6206 0.0000 C 0 0 2 5 1 0 3 2 2 0 4 1 1 0 1 5 1 1 4 6 1 6 7 2 1 0 8 3 1 0 9 1 1 0 10 12 1 0 11 4 1 0 12 7 2 0 13 9 2 0 14 13 1 0 15 8 1 0 16 9 1 0 17 13 1 0 18 16 2 0 19 18 1 0 7 11 1 0 14 6 1 0 19 17 2 0 10 8 2 0 M END > 123232 > J. Med. Chem. 42(5)-1999 935-940 > D2 > 6.3307 $$$$ SciTegic07090714462D 19 21 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 10 1 0 6 1 1 0 7 6 1 0 8 9 1 0 9 5 1 0 10 6 1 0 11 2 2 0 12 3 2 0 13 8 2 0 14 8 1 0 15 11 1 0 16 15 2 0 17 14 2 0 18 13 1 0 19 17 1 0 4 3 1 0 16 12 1 0 19 18 2 0 M END > 40339 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.2924 $$$$ SciTegic07090714462D 19 21 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 9.1464 1.3559 0.0000 O 0 0 7.9255 -0.7417 0.0000 C 0 0 10.1462 0.2377 0.0000 C 0 0 9.3917 -1.0587 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 3.8942 1.4964 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 17 1 0 6 5 1 0 7 5 2 0 8 6 1 0 9 7 1 0 10 4 2 0 11 4 1 0 12 19 1 0 13 3 1 0 14 2 1 0 15 10 1 0 16 11 1 0 17 12 1 0 18 13 1 0 19 14 1 0 16 14 1 0 15 13 2 0 9 8 2 0 M END > 40335 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.3768 $$$$ SciTegic07090714462D 20 23 0 0 1 0 999 V2000 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 2 0 0 0 1.9924 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 -2.0045 -1.1298 0.0000 O 0 0 -2.0045 1.2999 0.0000 O 0 0 -2.8792 0.0850 0.0000 C 0 0 3.3072 -2.9221 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 2.0093 -3.6758 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 2.0099 -5.1759 0.0000 C 0 0 0.7098 -2.9264 0.0000 C 0 0 -0.5889 -3.6770 0.0000 C 0 0 0.7112 -5.9264 0.0000 C 0 0 -0.5882 -5.1770 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 2 0 6 7 2 0 7 4 1 0 8 3 1 0 9 5 1 0 10 6 1 0 11 9 1 0 3 12 1 6 13 15 1 0 14 12 1 0 15 4 1 0 16 14 2 0 17 14 1 0 18 17 2 0 19 16 1 0 20 18 1 0 13 8 1 0 6 5 1 0 11 10 1 0 20 19 2 0 M END > 86785 > J. Med. Chem. 44(11)-2001 1794-1801 > D2 > 4.2749 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 -0.5259 0.0000 0.0000 C 0 0 2.0752 0.0000 0.0000 C 0 0 0.7675 0.7249 0.0000 C 0 0 3.1412 -1.0518 0.0000 N 0 0 0.7675 -2.2742 0.0000 O 0 0 -0.5259 -1.5209 0.0000 C 0 0 2.0752 -1.5209 0.0000 C 0 0 -1.8194 0.7249 0.0000 C 0 0 -1.8154 2.2262 0.0000 O 0 0 2.7575 -2.5031 0.0000 C 0 0 4.5768 -0.6823 0.0000 C 0 0 2.4448 1.4214 0.0000 C 0 0 -3.1270 -1.5209 0.0000 C 0 0 -1.8194 -2.2742 0.0000 C 0 0 -3.1270 0.0000 0.0000 C 0 0 -2.8527 2.8296 0.0000 C 0 0 3.8216 -3.5614 0.0000 C 0 0 4.9890 0.7391 0.0000 C 0 0 3.8946 1.8194 0.0000 C 0 0 3.5149 -4.7216 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 6 1 0 6 1 1 0 7 5 1 0 8 1 2 0 9 8 1 0 10 4 1 0 11 4 1 0 12 2 1 0 13 15 2 0 14 6 2 0 15 8 1 0 16 9 1 0 17 10 1 0 18 19 1 0 19 12 1 0 20 17 1 0 14 13 1 0 2 7 1 0 11 18 1 0 M END > 33826 > J. Med. Chem. 39(21)-1996 4285-4298 > D2 > 4.8327 $$$$ SciTegic07090714462D 20 23 0 0 1 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.6319 0.7854 0.0000 C 0 0 -5.8776 -0.5111 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2919 -2.9980 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.5891 -3.7515 0.0000 C 0 0 0.0089 -3.7449 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 0.0127 -5.2449 0.0000 C 0 0 -2.5853 -5.2515 0.0000 C 0 0 -1.2844 -5.9982 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 6 1 0 4 6 1 6 7 1 1 0 8 5 1 0 9 5 1 0 10 4 1 0 1 11 1 1 12 2 2 0 13 3 2 0 14 11 2 0 15 11 1 0 16 12 1 0 17 16 2 0 18 15 2 0 19 14 1 0 20 18 1 0 10 3 1 0 20 19 2 0 17 13 1 0 8 9 1 0 M END > 71231 > J. Med. Chem. 36(17)-1993 2542-2551 > D2 > 5.2218 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 0.6900 -0.9100 0.0000 N 0 0 -0.8500 -0.9100 0.0000 C 0 0 1.6500 0.2800 0.0000 C 0 0 -1.8000 0.2800 0.0000 C 0 0 1.3000 1.7900 0.0000 C 0 0 -1.4500 1.7900 0.0000 C 0 0 1.4600 -2.2400 0.0000 C 0 0 -0.8400 -3.5800 0.0000 N 0 0 0.0000 2.4500 0.0000 C 0 0 -1.6200 -2.2400 0.0000 C 0 0 0.6800 -3.5800 0.0000 C 0 0 3.1200 -0.1700 0.0000 C 0 0 -3.2800 -0.1700 0.0000 C 0 0 -1.4382 -4.6203 0.0000 C 0 0 2.4300 2.8300 0.0000 C 0 0 -2.5800 2.8300 0.0000 C 0 0 4.2400 0.8700 0.0000 C 0 0 -4.3800 0.8700 0.0000 C 0 0 -4.0400 2.3700 0.0000 C 0 0 3.8900 2.3700 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 2 0 6 4 2 0 7 1 1 0 8 11 1 0 9 5 1 0 10 2 1 0 11 7 1 0 12 3 1 0 13 4 1 0 14 8 1 0 15 5 1 0 16 6 1 0 17 12 2 0 18 13 2 0 19 18 1 0 20 17 1 0 8 10 1 0 9 6 1 0 20 15 2 0 19 16 2 0 M END > 148845 > J. Med. Chem. 48(6)-2005 1709-1712 > D2 > 5.6582 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 0.1500 -2.8500 0.0000 C 0 0 0.1500 -1.2900 0.0000 C 0 0 -1.1800 -0.5200 0.0000 C 0 0 1.4900 -0.5200 0.0000 C 0 0 1.4900 -3.6200 0.0000 C 0 0 -1.1800 -3.6200 0.0000 C 0 0 -2.5200 -1.2900 0.0000 C 0 0 -2.5200 -2.8500 0.0000 C 0 0 2.8300 -2.8500 0.0000 C 0 0 2.8300 -1.2900 0.0000 C 0 0 -0.3600 2.1400 0.0000 N 0 0 -1.4100 1.0000 0.0000 C 0 0 1.4900 -4.8200 0.0000 O 0 0 3.8686 -3.4511 0.0000 O 0 0 2.0400 0.7400 0.0000 C 0 0 -3.8700 -0.5200 0.0000 C 0 0 -3.8700 -3.6200 0.0000 C 0 0 1.1700 2.0200 0.0000 C 0 0 -5.2100 -1.2900 0.0000 C 0 0 -5.2100 -2.8500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 2 2 0 5 1 2 0 6 1 1 0 7 8 2 0 8 6 1 0 9 5 1 0 10 9 2 0 11 12 1 0 12 3 1 0 13 5 1 0 14 9 1 0 15 4 1 0 16 7 1 0 17 8 1 0 18 15 1 0 19 20 1 0 20 17 2 0 3 7 1 0 10 4 1 0 18 11 1 0 19 16 2 0 M END > 141998 > J. Med. Chem. 38(13)-1995 2395-2409 > D2 > 5.7282 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.3408 -4.2142 0.0000 C 0 0 1.8408 -4.2089 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -7.5307 5.8571 0.0000 F 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2 13 1 0 3 9 1 0 4 3 1 0 5 3 1 0 6 1 1 0 7 1 1 0 8 1 2 0 9 2 1 0 10 6 1 0 11 6 2 0 12 19 1 0 13 20 1 0 14 16 2 0 15 7 1 0 16 11 1 0 17 10 2 0 18 14 1 0 19 15 1 0 20 15 1 0 14 17 1 0 2 12 1 0 4 5 1 0 M END > 15122 > J. Med. Chem. 37(3)-1994 364-370 > D2 > 5.7878 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 0.0834 -1.7104 0.0000 C 0 0 -1.1889 -0.9178 0.0000 C 0 0 -1.1889 0.5840 0.0000 C 0 0 0.0000 1.5644 0.0000 O 0 0 0.0834 -3.2330 0.0000 N 0 0 1.5435 -1.1263 0.0000 C 0 0 2.0024 0.3129 0.0000 C 0 0 1.4809 1.2306 0.0000 C 0 0 -2.5655 -1.7104 0.0000 C 0 0 -1.1889 -4.0465 0.0000 C 0 0 3.5667 0.2920 0.0000 C 0 0 2.3152 2.6073 0.0000 C 0 0 -2.5655 -3.2330 0.0000 C 0 0 4.3593 1.6061 0.0000 C 0 0 3.8379 2.5864 0.0000 C 0 0 -2.5655 1.3975 0.0000 C 0 0 1.1360 -3.8093 0.0000 C 0 0 5.5589 1.5737 0.0000 O 0 0 -3.9005 0.5840 0.0000 C 0 0 -3.9005 -0.9178 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 3 1 0 5 1 1 0 6 1 1 0 7 6 1 0 8 7 2 0 9 2 1 0 10 5 1 0 11 7 1 0 12 8 1 0 13 10 1 0 14 11 2 0 15 14 1 0 16 3 1 0 17 5 1 0 18 14 1 0 19 20 1 0 20 9 2 0 8 4 1 0 9 13 1 0 19 16 2 0 12 15 2 0 M END > 56758 > J. Med. Chem. 43(4)-2000 599-608 > D2 > 6.1400 $$$$ SciTegic07090714462D 20 21 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 7.7815 -10.5187 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4833 -9.7656 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 7.7816 -12.0187 0.0000 C 0 0 9.0807 -9.7688 0.0000 C 0 0 6.4855 -8.2648 0.0000 C 0 0 10.3797 -10.5188 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 9.0806 -12.7688 0.0000 C 0 0 10.3797 -12.0188 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 4 1 0 3 6 1 0 4 7 1 0 5 9 1 0 6 1 1 0 7 3 1 0 8 1 1 0 9 14 1 0 10 2 2 0 11 2 1 0 12 5 1 0 13 5 2 0 14 8 1 0 15 13 1 0 16 10 1 0 17 11 2 0 18 12 2 0 19 15 2 0 20 17 1 0 19 18 1 0 20 16 2 0 M END > 39990 > J. Med. Chem. 40(25)-1997 4026-4029 > D2 > 6.2848 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 3.6321 1.3486 0.0000 O 0 0 -2.5870 3.7544 0.0000 C 0 0 -3.6486 1.3517 0.0000 C 0 0 -2.5835 5.2544 0.0000 C 0 0 -3.8880 3.0076 0.0000 C 0 0 -5.1852 3.7608 0.0000 C 0 0 -3.8807 6.0076 0.0000 C 0 0 -5.1815 5.2608 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 2 0 6 5 1 0 7 6 2 0 8 4 2 0 9 2 1 0 10 11 1 0 11 4 1 0 12 7 1 0 13 6 1 0 14 9 1 0 15 3 1 0 16 14 2 0 17 14 1 0 18 17 2 0 19 16 1 0 20 18 1 0 8 7 1 0 3 10 1 0 19 20 2 0 M END > 20478 > J. Med. Chem. 37(25)-1994 4317-4328 > D2 > 6.5421 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -4.5551 0.9006 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -5.8142 0.0724 0.0000 C 0 0 -4.4473 2.4041 0.0000 C 0 0 -7.2446 0.5240 0.0000 C 0 0 -5.5401 3.4317 0.0000 C 0 0 -7.7833 1.9239 0.0000 C 0 0 -7.0248 3.2179 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 7 1 0 7 2 2 0 8 1 2 0 9 10 2 0 10 2 1 0 11 13 1 0 12 14 2 0 13 8 1 0 14 8 1 0 15 4 1 0 16 4 1 0 17 15 1 0 18 16 1 0 19 17 1 0 20 18 1 0 7 12 1 0 11 5 1 0 6 9 1 0 19 20 1 0 M END > 23478 > J. Med. Chem. 38(12)-1995 2217-2230 > D2 > 7.0000 $$$$ SciTegic07090714462D 20 22 0 0 1 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 3.6321 -1.3486 0.0000 O 0 0 -0.2409 3.5904 0.0000 N 0 0 -1.2845 2.9981 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 1 2 0 6 4 1 0 7 2 1 0 8 2 2 0 9 5 1 0 10 9 2 0 6 11 1 1 12 5 1 0 13 9 1 0 14 15 1 0 7 15 1 1 16 11 2 0 17 11 1 0 18 17 2 0 19 16 1 0 20 18 1 0 3 7 1 0 8 10 1 0 19 20 2 0 M END > 142990 > J. Med. Chem. 39(1)-1996 285-296 > D2 > 7.3872 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 0.2917 -0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.5842 -6.0270 0.0000 N 0 0 -0.9971 -3.0138 0.0000 O 0 0 -4.8749 -8.2840 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.5785 -7.5278 0.0000 C 0 0 -2.2878 -5.2708 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -4.8713 -9.7840 0.0000 C 0 0 -6.1758 -7.5371 0.0000 C 0 0 -7.4730 -8.2903 0.0000 C 0 0 -6.1686 -10.5371 0.0000 C 0 0 -7.4694 -9.7903 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 5 2 0 5 1 1 0 6 1 2 0 7 14 1 0 8 6 1 0 9 13 1 0 10 12 2 0 11 3 2 0 12 6 1 0 13 7 1 0 14 15 1 0 15 8 1 0 16 9 2 0 17 9 1 0 18 17 2 0 19 16 1 0 20 18 1 0 2 4 1 0 10 11 1 0 19 20 2 0 M END > 52001 > J. Med. Chem. 42(11)-1999 2007-2020 > D2 > 7.4056 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 2.5800 1.3900 0.0000 C 0 0 2.2500 -0.1000 0.0000 C 0 0 1.6200 2.6200 0.0000 C 0 0 0.8600 -0.7800 0.0000 S 0 0 -0.5500 -0.1100 0.0000 C 0 0 -0.8800 1.4100 0.0000 N 0 0 0.0900 2.6200 0.0000 C 0 0 2.2782 3.9687 0.0000 N 0 0 3.6000 -0.9000 0.0000 S 0 0 4.1200 1.5500 0.0000 C 0 0 3.4587 6.7298 0.0000 N 0 0 -1.8700 -0.9000 0.0000 C 0 0 -2.4400 1.5400 0.0000 C 0 0 4.7500 0.1400 0.0000 C 0 0 -3.0300 0.1100 0.0000 C 0 0 1.3783 5.1735 0.0000 C 0 0 3.7663 4.1500 0.0000 C 0 0 4.3572 5.5287 0.0000 C 0 0 1.9692 6.5522 0.0000 C 0 0 3.9314 7.8327 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 4 1 0 6 7 1 0 7 3 2 0 8 3 1 0 9 2 1 0 10 1 1 0 11 18 1 0 12 5 2 0 13 6 1 0 14 10 2 0 15 13 2 0 16 8 1 0 17 8 1 0 18 17 1 0 19 16 1 0 20 11 1 0 14 9 1 0 5 6 1 0 19 11 1 0 15 12 1 0 M END > 148821 > J. Med. Chem. 48(6)-2005 1705-1708 > D2 > 8.0757 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 1.6995 1.5237 0.0000 C 0 0 1.2502 2.9107 0.0000 C 0 0 0.5079 0.6251 0.0000 N 0 0 3.0865 0.9767 0.0000 C 0 0 -0.2344 2.9107 0.0000 C 0 0 -0.7033 1.4651 0.0000 C 0 0 2.0902 4.1804 0.0000 C 0 0 4.6102 3.1646 0.0000 N 0 0 4.3953 1.7386 0.0000 C 0 0 3.2001 -0.5197 0.0000 C 0 0 3.5944 4.2781 0.0000 C 0 0 -1.2502 4.0242 0.0000 C 0 0 -2.1879 1.1135 0.0000 C 0 0 5.7584 3.5135 0.0000 C 0 0 4.5854 -1.1047 0.0000 C 0 0 2.0075 -1.4281 0.0000 C 0 0 -2.7153 3.6921 0.0000 C 0 0 -3.2037 2.2270 0.0000 C 0 0 2.1943 -2.9165 0.0000 C 0 0 4.7721 -2.5930 0.0000 C 0 0 3.5766 -3.4989 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 3 1 0 7 2 1 0 8 9 1 0 9 4 1 0 10 4 1 0 11 7 1 0 12 5 1 0 13 6 1 0 14 8 1 0 15 10 1 0 16 10 2 0 17 12 2 0 18 13 2 0 19 16 1 0 20 15 2 0 21 19 2 0 6 5 2 0 8 11 1 0 17 18 1 0 20 21 1 0 M END > 47966 > J. Med. Chem. 41(23)-1998 4486-4491 > D2 > 4.5654 $$$$ SciTegic07090714462D 21 25 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 3.1884 -2.6409 0.0000 C 0 0 0.9990 0.2893 0.0000 C 0 0 0.2490 -1.0098 0.0000 C 0 0 5.0972 0.1561 0.0000 C 0 0 3.3339 2.5831 0.0000 C 0 0 4.6235 -3.0601 0.0000 C 0 0 2.0991 -3.6745 0.0000 C 0 0 4.8256 2.7399 0.0000 C 0 0 5.7073 1.5264 0.0000 C 0 0 2.4538 -5.1320 0.0000 C 0 0 4.9782 -4.5176 0.0000 C 0 0 3.8933 -5.5535 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 2 1 0 7 9 1 0 8 1 1 0 9 8 1 0 10 3 1 0 6 11 1 1 9 12 1 1 13 4 1 0 14 5 1 0 15 10 2 0 16 10 1 0 17 14 2 0 18 13 2 0 19 16 2 0 20 15 1 0 21 19 1 0 4 5 2 0 11 12 1 0 7 6 1 0 17 18 1 0 21 20 2 0 M END > 84214 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.0000 $$$$ SciTegic07090714462D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 6.4855 -8.2648 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 -2.5956 2.7031 0.0000 C 0 0 6.4855 -9.7648 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1.5548 -3.6021 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 11 1 0 5 1 2 0 6 1 1 0 7 5 1 0 8 6 2 0 9 2 1 0 10 13 1 0 11 3 1 0 12 4 1 0 13 17 1 0 14 9 1 0 15 10 2 0 16 10 1 0 17 12 1 0 18 11 1 0 19 16 2 0 20 15 1 0 21 19 1 0 7 2 2 0 21 20 2 0 M END > 65619 > J. Med. Chem. 34(6)-1991 1855-1859 > D2 > 5.0306 $$$$ SciTegic07090714462D 21 24 0 0 1 0 999 V2000 1.5933 -0.7158 0.0000 C 0 0 0.3002 0.0231 0.0000 C 0 0 1.5933 -2.2398 0.0000 C 0 0 -0.9929 -0.7158 0.0000 C 0 0 3.9024 -1.4778 0.0000 N 0 0 0.3002 -2.9787 0.0000 C 0 0 3.0480 -2.7017 0.0000 N 0 0 0.5080 1.5240 0.0000 C 0 0 1 0 0 0 -0.9929 -2.2398 0.0000 C 0 0 3.0480 -0.2540 0.0000 C 0 0 -2.0320 2.4938 0.0000 N 0 0 1.9382 1.9787 0.0000 C 0 0 0.3002 -4.1787 0.0000 Cl 0 0 -0.5311 2.6324 0.0000 C 0 0 -2.3784 0.0000 0.0000 C 0 0 -2.8864 1.2238 0.0000 C 0 0 2.1817 3.4629 0.0000 C 0 0 3.1014 1.0331 0.0000 C 0 0 4.5043 1.5641 0.0000 C 0 0 3.5846 3.9939 0.0000 C 0 0 4.7459 3.0445 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 10 2 0 6 3 2 0 7 3 1 0 8 2 1 0 9 6 1 0 10 1 1 0 11 14 1 0 8 12 1 6 13 6 1 0 14 8 1 0 15 4 1 0 16 15 1 0 17 12 1 0 18 12 2 0 19 18 1 0 20 17 2 0 21 19 2 0 7 5 1 0 4 9 2 0 16 11 1 0 20 21 1 0 M END > 147385 > J. Med. Chem. 48(3)-2005 680-693 > D2 > 5.3002 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.2218 4.2301 0.0000 N 0 0 1.2517 3.8078 0.0000 O 0 0 3.6621 2.8384 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.2965 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 1 0 6 2 1 0 7 1 1 0 8 10 1 0 9 6 1 0 10 6 1 0 11 4 2 0 12 5 2 0 13 8 1 0 14 9 1 0 15 7 2 0 16 7 1 0 17 11 1 0 18 12 1 0 19 16 2 0 20 15 1 0 21 19 1 0 5 4 1 0 21 20 2 0 17 18 2 0 13 14 1 0 M END > 86555 > J. Med. Chem. 44(10)-2001 1603-1614 > D2 > 5.7959 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 -1.2957 0.7482 0.0000 N 0 0 0.0000 0.0000 0.0000 C 0 0 -1.2957 2.2447 0.0000 C 0 0 -2.5914 0.0000 0.0000 C 0 0 0.0000 -1.4965 0.0000 C 0 0 -2.5914 -1.4965 0.0000 C 0 0 1.2957 2.2447 0.0000 O 0 0 -1.2957 -2.2629 0.0000 C 0 0 1.2957 0.7482 0.0000 C 0 0 0.0000 3.0112 0.0000 C 0 0 -3.8950 -2.2406 0.0000 N 0 0 -2.3381 2.8392 0.0000 O 0 0 1.2957 -2.2629 0.0000 C 0 0 2.5914 -1.4965 0.0000 C 0 0 2.5914 0.0000 0.0000 C 0 0 -3.9033 -3.7414 0.0000 C 0 0 -5.1923 -1.4861 0.0000 C 0 0 -6.4949 -2.2315 0.0000 C 0 0 -5.2067 -4.4854 0.0000 C 0 0 -7.5323 -1.6282 0.0000 C 0 0 -5.2133 -5.6854 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 10 1 0 8 6 1 0 9 2 2 0 10 3 1 0 11 6 1 0 12 3 2 0 13 5 2 0 14 15 2 0 15 9 1 0 16 11 1 0 17 11 1 0 18 17 1 0 19 16 1 0 20 18 1 0 21 19 1 0 9 7 1 0 8 5 1 0 14 13 1 0 M END > 7887 > J. Med. Chem. 35(6)-1992 1076-1092 > D2 > 5.8703 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 6.3036 -4.8212 0.0000 N 0 0 4.8111 -4.6641 0.0000 C 0 0 6.9148 -6.1919 0.0000 C 0 0 8.4073 -6.3490 0.0000 C 0 0 7.0088 -3.8502 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 9.0201 -7.7182 0.0000 C 0 0 9.2868 -5.1338 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 10.7789 -5.2878 0.0000 C 0 0 10.5122 -7.8721 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 11.3916 -6.6569 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 8 1 0 8 4 1 0 9 7 1 0 10 9 1 0 11 7 1 0 12 6 2 0 13 6 1 0 14 10 2 0 15 10 1 0 16 12 1 0 17 13 2 0 18 15 2 0 19 14 1 0 20 17 1 0 21 18 1 0 5 4 2 0 16 20 2 0 19 21 2 0 M END > 23529 > J. Med. Chem. 38(12)-1995 2251-2255 > D2 > 5.8794 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2979 3.7529 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2955 5.2529 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3338 5.8546 0.0000 O 0 0 1.3002 3.7488 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.3026 5.2488 0.0000 C 0 0 0.0047 6.0009 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 3 2 1 6 3 4 1 0 4 1 1 0 5 2 2 0 6 1 1 0 7 5 1 0 8 6 1 0 9 8 1 0 10 1 1 0 11 7 1 0 12 2 1 0 13 10 1 0 14 13 1 0 15 12 2 0 16 15 1 0 17 9 2 0 18 9 1 0 19 18 2 0 20 17 1 0 21 19 1 0 14 3 1 0 21 20 2 0 16 7 2 0 M END > 157827 > J. Med. Chem. 37(11)-1994 1727-1732 > D2 > 5.9100 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -6.4965 3.0203 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -9.0965 3.0331 0.0000 C 0 0 -10.5172 3.0833 0.0000 C 0 0 -9.7712 1.7819 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -7.7928 3.7767 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 16 1 0 5 2 1 0 6 13 1 0 7 6 1 0 8 6 1 0 9 1 2 0 10 3 1 0 11 2 1 0 12 10 1 0 13 4 1 0 14 11 1 0 15 11 1 0 16 15 1 0 17 14 1 0 18 3 2 0 19 10 2 0 20 18 1 0 21 20 2 0 12 5 1 0 21 19 1 0 17 4 1 0 8 7 1 0 M END > 15111 > J. Med. Chem. 37(3)-1994 364-370 > D2 > 5.9670 $$$$ SciTegic07090714462D 21 24 0 0 1 0 999 V2000 0.0000 -0.2531 0.0000 C 0 0 -0.7088 -1.6031 0.0000 N 0 0 1.3669 0.0675 0.0000 S 0 0 1.3669 -3.2907 0.0000 C 0 0 2 0 0 0 2.5144 -2.3288 0.0000 C 0 0 1.7058 -4.7526 0.0000 N 0 0 0.0000 -2.9532 0.0000 C 0 0 2.5144 -0.8438 0.0000 C 0 0 2.4853 -7.6518 0.0000 N 0 0 -1.1813 0.7931 0.0000 C 0 0 -2.2275 -1.3838 0.0000 C 0 0 -2.4638 0.0675 0.0000 C 0 0 3.1571 -5.1420 0.0000 C 0 0 0.6477 -5.8151 0.0000 C 0 0 1.0363 -7.2639 0.0000 C 0 0 3.5457 -6.5908 0.0000 C 0 0 3.8307 -3.0713 0.0000 C 0 0 3.8307 0.0000 0.0000 C 0 0 2.7962 -8.8108 0.0000 C 0 0 5.1469 -2.3288 0.0000 C 0 0 5.1469 -0.8438 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 8 2 0 4 6 1 6 7 2 1 0 8 3 1 0 9 15 1 0 10 1 2 0 11 2 1 0 12 10 1 0 13 6 1 0 14 6 1 0 15 14 1 0 16 13 1 0 17 5 1 0 18 8 1 0 19 9 1 0 20 21 1 0 21 18 2 0 12 11 2 0 5 4 1 0 20 17 2 0 9 16 1 0 M END > 91881 > J. Med. Chem. 45(2)-2002 344-359 > D2 > 6.2211 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 0.0000 -2.9532 0.0000 C 0 0 -0.7088 -1.6031 0.0000 C 0 0 0.0000 -0.2531 0.0000 N 0 0 1.3669 -3.2907 0.0000 C 0 0 -0.9257 -4.1344 0.0000 N 0 0 1.3669 0.0675 0.0000 C 0 0 2.5144 -2.3288 0.0000 C 0 0 2.5144 -0.8438 0.0000 C 0 0 -2.6041 -6.6259 0.0000 N 0 0 -1.1813 0.7931 0.0000 C 0 0 -2.2275 -1.3838 0.0000 C 0 0 -2.4638 0.0675 0.0000 C 0 0 -0.2682 -5.4886 0.0000 C 0 0 -2.4211 -4.0343 0.0000 C 0 0 -3.2608 -5.2773 0.0000 C 0 0 -1.1079 -6.7316 0.0000 C 0 0 -3.2759 -7.6203 0.0000 C 0 0 3.8307 -3.0713 0.0000 C 0 0 3.8307 0.0000 0.0000 C 0 0 5.1469 -0.8438 0.0000 C 0 0 5.1469 -2.3288 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 3 1 0 7 4 1 0 8 7 2 0 9 15 1 0 10 3 1 0 11 2 2 0 12 11 1 0 13 5 1 0 14 5 1 0 15 14 1 0 16 13 1 0 17 9 1 0 18 7 1 0 19 8 1 0 20 21 1 0 21 18 2 0 16 9 1 0 6 8 1 0 12 10 2 0 20 19 2 0 M END > 148822 > J. Med. Chem. 48(6)-2005 1705-1708 > D2 > 6.2381 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -5.1915 4.5101 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.9511 -0.8815 0.0000 S 0 0 -3.8933 3.7570 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 -9.0878 5.2685 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -6.4898 5.2631 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -7.7903 4.5158 0.0000 C 0 0 -9.0847 6.7685 0.0000 C 0 0 -6.4867 6.7631 0.0000 C 0 0 -7.7842 7.5158 0.0000 C 0 0 2 1 1 0 3 6 3 0 4 1 2 0 5 2 1 0 6 17 1 0 7 14 1 0 8 2 2 0 9 5 1 0 10 18 2 0 11 1 1 0 12 8 1 0 13 4 1 0 14 11 1 0 15 3 1 0 16 7 1 0 17 16 1 0 18 15 1 0 19 21 2 0 20 15 2 0 21 20 1 0 7 13 1 0 12 9 2 0 10 19 1 0 M END > 32117 > J. Med. Chem. 39(16)-1996 3179-3187 > D2 > 6.5935 $$$$ SciTegic07090714462D 21 22 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2 0 0 0 3.6375 -0.9049 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 0.0000 2.7000 0.0000 I 0 0 0.0000 -2.7000 0.0000 O 0 0 3.1332 -7.5416 0.0000 C 0 0 1.2541 -5.6376 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 0.3545 -6.4318 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 8 1 0 5 2 1 0 6 1 2 0 7 3 2 0 8 10 1 6 9 2 2 0 10 5 1 0 11 6 1 0 12 11 2 0 13 3 1 0 14 7 1 0 15 6 1 0 16 4 1 0 17 4 1 0 18 19 1 0 19 8 1 0 20 13 1 0 21 17 1 0 7 12 1 0 18 16 1 0 M END > 136500 > Bioorg. Med. Chem. Lett. 13(22)-2003 4015-4017 > D2 > 6.7077 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 -3.6323 6.6070 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.5941 6.0054 0.0000 C 0 0 5.4984 -5.5497 0.0000 S 0 0 0.0000 3.0008 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 4.0312 -5.2378 0.0000 C 0 0 6.2484 -4.2507 0.0000 C 0 0 -1.2979 3.7529 0.0000 C 0 0 5.2447 -3.1359 0.0000 C 0 0 -1.2955 5.2529 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.3002 3.7488 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.3026 5.2488 0.0000 C 0 0 0.0047 6.0009 0.0000 C 0 0 2 8 1 0 3 1 3 0 4 9 1 0 5 11 2 0 6 15 1 0 7 5 1 1 8 7 1 0 9 6 2 0 10 12 2 0 11 13 1 0 12 6 1 0 13 3 1 0 14 2 1 0 15 14 1 0 16 18 1 0 17 20 2 0 18 19 1 0 19 7 1 0 20 21 1 0 21 13 2 0 5 17 1 0 2 16 1 0 4 10 1 0 M END > 18609 > J. Med. Chem. 37(17)-1994 2735-2753 > D2 > 6.9914 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 2.1968 0.6852 0.0000 N 0 0 0.9876 1.5922 0.0000 C 0 0 1.7333 -0.7256 0.0000 C 0 0 -0.2419 0.7054 0.0000 N 0 0 3.6284 1.1358 0.0000 C 0 0 1 0 0 0 4.8723 0.3289 0.0000 C 0 0 6.0258 1.2877 0.0000 N 0 0 0.2217 -0.7054 0.0000 C 0 0 1 0 0 0 3.9735 2.5834 0.0000 C 0 0 7.4786 0.9216 0.0000 C 0 0 5.4703 2.6811 0.0000 C 0 0 2.4305 -1.7022 0.0000 O 0 0 8.5246 1.9979 0.0000 C 0 0 4.9431 -0.8690 0.0000 O 0 0 9.6882 1.7046 0.0000 O 0 0 -0.0548 2.1868 0.0000 C 0 0 2.0407 2.1674 0.0000 C 0 0 -1.7333 0.7457 0.0000 C 0 0 8.1971 3.1523 0.0000 N 0 0 -0.9876 -1.5720 0.0000 C 0 0 -2.1968 -0.7054 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 1 6 6 5 1 0 7 6 1 0 8 3 1 6 9 5 1 0 10 7 1 0 11 9 1 0 12 3 2 0 13 10 1 0 14 6 2 0 15 13 2 0 16 2 1 0 17 2 1 0 18 4 1 0 19 13 1 0 20 8 1 0 21 20 1 0 8 4 1 0 7 11 1 0 18 21 1 0 M END > 141118 > J. Med. Chem. 37(22)-1994 3677-3683 > D2 > 7.1135 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 -2.3155 0.7475 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 N 0 0 -4.9669 0.8708 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 1 0 0 0 -1.0028 -1.5132 0.0000 C 0 0 -5.9732 1.9832 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.7582 2.9755 0.0000 C 0 0 -7.4632 1.8263 0.0000 C 0 0 -5.2262 3.2840 0.0000 C 0 0 -8.3464 3.0397 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -5.2067 -0.3050 0.0000 O 0 0 -0.9991 -2.7132 0.0000 O 0 0 -9.5398 2.9140 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 -7.8589 4.1362 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 5 1 0 5 1 1 1 6 9 1 0 7 4 1 0 8 2 1 6 9 1 1 0 10 5 1 0 11 7 1 0 12 10 1 0 13 11 1 0 14 2 2 0 15 4 2 0 16 6 2 0 17 13 2 0 18 3 1 0 19 13 1 0 20 8 1 0 21 20 1 0 8 3 1 0 12 7 1 0 18 21 1 0 M END > 145901 > J. Med. Chem. 40(22)-1997 3594-3600 > D2 > 7.1612 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 0.8900 -0.4300 0.0000 C 0 0 0.6100 -2.0600 0.0000 C 0 0 -0.3900 0.6300 0.0000 C 0 0 2.4600 0.1500 0.0000 C 0 0 1.9000 -3.1400 0.0000 C 0 0 -1.8600 0.3600 0.0000 C 0 0 3.4700 -2.5600 0.0000 C 0 0 3.7500 -0.9100 0.0000 C 0 0 -0.6600 -2.8300 0.0000 C 0 0 -2.6000 -0.9300 0.0000 C 0 0 0.7300 3.1000 0.0000 N 0 0 -2.0600 -2.3300 0.0000 C 0 0 -0.3900 2.1300 0.0000 C 0 0 1.6951 -4.3224 0.0000 O 0 0 4.3936 -3.3262 0.0000 O 0 0 2.9600 1.5600 0.0000 C 0 0 -2.6100 1.6500 0.0000 C 0 0 2.2100 2.8500 0.0000 C 0 0 -4.0900 -0.9400 0.0000 C 0 0 -4.1100 1.6400 0.0000 C 0 0 -4.8400 0.3400 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 2 0 6 3 1 0 7 8 2 0 8 4 1 0 9 2 1 0 10 6 2 0 11 13 1 0 12 9 1 0 13 3 1 0 14 5 1 0 15 7 1 0 16 4 1 0 17 6 1 0 18 16 1 0 19 10 1 0 20 17 2 0 21 20 1 0 18 11 1 0 7 5 1 0 10 12 1 0 21 19 2 0 M END > 141997 > J. Med. Chem. 38(13)-1995 2395-2409 > D2 > 7.5376 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 9.0941 1.4873 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 10.3932 0.7374 0.0000 C 0 0 9.0942 2.9874 0.0000 C 0 0 10.3933 3.7374 0.0000 C 0 0 11.6923 1.4873 0.0000 C 0 0 11.6923 2.9873 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 4 2 0 6 4 1 0 7 3 1 0 8 2 1 0 9 5 1 0 10 14 1 0 11 6 1 0 12 7 1 0 13 16 1 0 14 8 1 0 15 10 1 0 16 15 1 0 17 13 2 0 18 13 1 0 19 18 2 0 20 17 1 0 21 19 1 0 11 8 1 0 9 7 2 0 21 20 2 0 M END > 40332 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.5784 $$$$ SciTegic07090714462D 22 26 0 0 0 0 999 V2000 -1.2594 0.9674 0.0000 N 0 0 -0.9674 2.4458 0.0000 C 0 0 0.8944 2.4276 0.0000 N 0 0 0.0000 0.2373 0.0000 C 0 0 1.2777 0.9674 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 -3.8359 -1.9754 0.0000 N 0 0 -2.5371 -1.2229 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 -2.5327 -4.2251 0.0000 C 0 0 -5.1392 0.2744 0.0000 C 0 0 -1.7247 3.3767 0.0000 O 0 0 -3.8333 -3.4762 0.0000 C 0 0 -5.1365 -1.2264 0.0000 C 0 0 -5.8887 1.4823 0.0000 C 0 0 -4.3887 1.4818 0.0000 C 0 0 -1.8578 -5.4763 0.0000 C 0 0 -1.1120 -4.1748 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 1.2777 -1.9530 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 2 0 6 1 1 0 7 4 1 0 8 9 1 0 9 6 1 0 10 9 1 0 11 14 1 0 12 15 1 0 13 2 2 0 14 8 1 0 15 8 1 0 16 12 1 0 17 12 1 0 18 11 1 0 19 11 1 0 20 5 1 0 21 7 2 0 22 21 1 0 5 3 1 0 10 7 1 0 22 20 2 0 16 17 1 0 18 19 1 0 M END > 7905 > J. Med. Chem. 35(6)-1992 1076-1092 > D2 > 5.1118 $$$$ SciTegic07090714462D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -5.1915 4.5101 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8991 -0.7525 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -9.0878 5.2685 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -6.4898 5.2631 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -7.7903 4.5158 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -9.0847 6.7685 0.0000 C 0 0 -6.4867 6.7631 0.0000 C 0 0 -7.7842 7.5158 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 1 1 0 3 4 3 0 4 14 1 0 5 11 1 0 6 2 2 0 7 1 1 0 8 1 1 0 9 15 2 0 10 7 1 0 11 8 1 0 12 3 1 0 13 5 1 0 14 13 1 0 15 12 1 0 16 2 1 0 17 6 1 0 18 20 2 0 19 12 2 0 20 19 1 0 21 16 2 0 22 21 1 0 5 10 1 0 17 22 2 0 9 18 1 0 M END > 32119 > J. Med. Chem. 39(16)-1996 3179-3187 > D2 > 5.2686 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -1.4860 0.3910 0.0000 C 0 0 1.0949 0.3910 0.0000 C 0 0 -2.7999 -0.3598 0.0000 C 0 0 -0.1877 -0.3598 0.0000 C 0 0 1 0 0 0 -3.8948 0.6257 0.0000 S 0 0 -1.7832 1.7988 0.0000 C 0 0 2.4088 -0.3598 0.0000 C 0 0 1.0949 1.8770 0.0000 C 0 0 -3.2691 1.9709 0.0000 C 0 0 -1.4860 -2.6434 0.0000 N 0 0 2.3775 2.6434 0.0000 C 0 0 -0.1877 -1.8770 0.0000 C 0 0 1 0 0 0 3.7071 0.3910 0.0000 C 0 0 3.7071 1.8770 0.0000 C 0 0 -2.7999 -1.8770 0.0000 C 0 0 2.4088 -1.8770 0.0000 C 0 0 1.0949 -2.6434 0.0000 C 0 0 2.3681 3.8434 0.0000 O 0 0 4.7461 2.4773 0.0000 O 0 0 -4.0057 3.2758 0.0000 C 0 0 -5.5064 3.2912 0.0000 C 0 0 -6.0963 4.3362 0.0000 C 0 0 2 4 1 0 3 1 2 0 4 1 1 1 5 3 1 0 6 1 1 0 7 2 2 0 8 2 1 0 9 6 2 0 12 10 1 6 11 8 2 0 12 4 1 0 13 7 1 0 14 11 1 0 15 3 1 0 16 17 1 0 17 12 1 0 18 11 1 0 19 14 1 0 20 9 1 0 21 20 1 0 22 21 1 0 9 5 1 0 15 10 1 0 7 16 1 0 13 14 2 0 M END > 25157 > J. Med. Chem. 38(18)-1995 3445-3447 > D2 > 5.3958 $$$$ SciTegic07090714462D 22 26 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -3.8939 0.7546 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -5.1903 1.5090 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 1 1 0 5 2 1 0 6 1 1 0 7 3 1 0 8 2 1 0 9 6 2 0 4 10 1 6 11 3 1 0 12 10 1 0 13 11 1 0 14 6 1 0 15 9 1 0 16 13 2 0 17 13 1 0 18 14 2 0 19 18 1 0 20 17 2 0 21 16 1 0 22 20 1 0 9 5 1 0 7 8 1 0 7 12 1 6 19 15 2 0 22 21 2 0 M END > 84221 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.4377 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 2.3161 3.2733 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 3.7683 5.9013 0.0000 N 0 0 3.8191 3.3037 0.0000 C 0 0 1.5441 4.5585 0.0000 C 0 0 2.2686 5.8720 0.0000 C 0 0 4.5436 4.6171 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 4.3479 6.9520 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 2 0 7 6 1 0 8 5 2 0 9 12 1 0 10 3 1 0 11 3 1 0 12 11 1 0 13 10 1 0 14 4 1 0 15 6 1 0 16 9 1 0 17 5 1 0 18 8 1 0 19 14 2 0 20 19 1 0 21 22 1 0 22 17 2 0 9 13 1 0 7 8 1 0 20 15 2 0 18 21 2 0 M END > 84983 > J. Med. Chem. 44(3)-2001 372-389 > D2 > 5.5686 $$$$ SciTegic07090714462D 22 24 0 0 1 0 999 V2000 1.4700 -0.8100 0.0000 C 0 0 2 0 0 0 1.4700 0.6300 0.0000 C 0 0 -1.0300 -0.8100 0.0000 C 0 0 1 0 0 0 0.2100 -1.5300 0.0000 C 0 0 1 0 0 0 -1.9600 -1.2500 0.0000 N 0 0 0.2100 1.3600 0.0000 C 0 0 -1.0300 0.6300 0.0000 C 0 0 0.9800 0.0900 0.0000 C 0 0 -1.9500 0.1000 0.0000 C 0 0 2.7300 1.3600 0.0000 C 0 0 0.2100 2.8100 0.0000 C 0 0 2.7300 2.8100 0.0000 C 0 0 2.5119 -1.4054 0.0000 C 0 0 1.4700 3.5400 0.0000 C 0 0 -2.7788 -2.5058 0.0000 C 0 0 0.2100 -2.7300 0.0000 C 0 0 -8.6125 -4.7988 0.0000 F 0 0 3.7665 3.4146 0.0000 O 0 0 -7.4142 -4.8623 0.0000 C 0 0 -4.2776 -2.4264 0.0000 C 0 0 -6.5952 -3.6046 0.0000 C 0 0 -5.0965 -3.6841 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 9 1 0 6 2 1 0 7 3 1 0 8 1 1 0 9 8 1 0 10 2 2 0 11 6 2 0 12 10 1 0 1 13 1 1 14 12 2 0 15 5 1 0 4 16 1 6 17 19 1 0 18 12 1 0 19 21 1 0 20 15 1 0 21 22 1 0 22 20 1 0 3 5 1 1 6 7 1 0 11 14 1 0 M END > 9831 > J. Med. Chem. 35(12)-1992 2221-2230 > D2 > 5.5964 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 0.0000 1.5002 0.0000 C 0 0 -1.2852 0.7580 0.0000 C 0 0 1.2943 0.7421 0.0000 C 0 0 1.2850 -0.7580 0.0000 C 0 0 -1.2945 -0.7421 0.0000 C 0 0 -0.0185 -1.5001 0.0000 C 0 0 0.0046 3.0009 0.0000 C 0 0 0.0254 6.0008 0.0000 N 0 0 -1.2891 3.7598 0.0000 C 0 0 1.3089 3.7420 0.0000 C 0 0 1.3192 5.2419 0.0000 C 0 0 -1.2788 5.2598 0.0000 C 0 0 -0.0296 -2.7001 0.0000 O 0 0 2.5978 1.4841 0.0000 C 0 0 -2.5978 1.5162 0.0000 C 0 0 2.5793 -1.5161 0.0000 C 0 0 -2.6163 -1.4841 0.0000 C 0 0 0.0336 7.2008 0.0000 C 0 0 3.8921 0.7261 0.0000 C 0 0 -3.9013 0.7741 0.0000 C 0 0 3.8828 -0.7741 0.0000 C 0 0 -3.9106 -0.7260 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 2 1 0 6 4 1 0 7 1 2 0 8 11 1 0 9 7 1 0 10 7 1 0 11 10 1 0 12 9 1 0 13 6 1 0 14 3 1 0 15 2 2 0 16 4 1 0 17 5 2 0 18 8 1 0 19 14 2 0 20 15 1 0 21 19 1 0 22 20 2 0 12 8 1 0 5 6 1 0 16 21 2 0 17 22 1 0 M END > 140603 > J. Med. Chem. 37(7)-1994 950-962 > D2 > 5.7959 $$$$ SciTegic07090714462D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2641 -2.2299 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.3239 -0.1258 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 2.5451 -3.0103 0.0000 C 0 0 -0.0523 -2.9490 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1876 6.0124 0.0000 C 0 0 -2.5896 6.0034 0.0000 C 0 0 -0.0877 -4.4486 0.0000 C 0 0 2.5097 -4.5099 0.0000 C 0 0 -2.5844 7.5034 0.0000 C 0 0 -5.1824 7.5124 0.0000 C 0 0 -3.8808 8.2579 0.0000 C 0 0 1.1933 -5.2290 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 4 1 0 7 3 1 0 8 1 1 0 9 2 1 0 10 14 1 0 11 9 1 0 12 5 2 0 13 5 1 0 14 11 1 0 15 10 2 0 16 10 1 0 17 13 2 0 18 12 1 0 19 16 2 0 20 15 1 0 21 19 1 0 22 17 1 0 7 2 1 0 22 18 2 0 21 20 2 0 M END > 5887 > J. Med. Chem. 34(12)-1991 3360-3365 > D2 > 5.9031 $$$$ SciTegic07090714462D 22 24 0 0 1 0 999 V2000 6.6309 -3.3619 0.0000 C 0 0 6.1190 -1.9511 0.0000 C 0 0 0.8900 -0.2000 0.0000 N 0 0 4.1300 -0.2800 0.0000 C 0 0 2 0 0 0 4.6413 -1.6882 0.0000 N 0 0 8.1074 -3.6269 0.0000 C 0 0 2.5700 0.6800 0.0000 C 0 0 1 0 0 0 5.6633 -4.5082 0.0000 C 0 0 8.6162 -5.0379 0.0000 C 0 0 6.1722 -5.9193 0.0000 C 0 0 7.6486 -6.1841 0.0000 C 0 0 1.6800 1.0100 0.0000 C 0 0 2.5700 2.0400 0.0000 C 0 0 4.9300 0.8600 0.0000 C 0 0 6.8915 -1.0328 0.0000 O 0 0 3.3900 1.8000 0.0000 C 0 0 2 0 0 0 8.0556 -7.3130 0.0000 N 0 0 3.3700 2.8600 0.0000 C 0 0 5.3981 -6.8362 0.0000 Cl 0 0 9.0779 -2.4821 0.0000 O 0 0 -0.0189 -0.9835 0.0000 C 0 0 10.2587 -2.6957 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 5 1 6 5 2 1 0 6 1 1 0 7 4 1 0 8 1 2 0 9 6 2 0 10 8 1 0 11 10 2 0 12 16 1 0 7 13 1 6 14 4 1 0 15 2 2 0 16 14 1 0 17 11 1 0 16 18 1 1 19 10 1 0 20 6 1 0 21 3 1 0 22 20 1 0 9 11 1 0 13 18 1 0 3 12 1 0 M END > 135755 > Bioorg. Med. Chem. Lett. 12(2)-2002 189-192 > D2 > 6.0000 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -0.5400 -0.6300 0.0000 C 0 0 0.2700 0.6600 0.0000 C 0 0 2 0 0 0 -0.1600 2.1200 0.0000 C 0 0 1 0 0 0 -2.0800 -0.7600 0.0000 C 0 0 0.3200 -1.8600 0.0000 C 0 0 -1.6000 2.6600 0.0000 N 0 0 1.7900 0.3400 0.0000 C 0 0 -0.2800 -3.2600 0.0000 C 0 0 -1.8400 -3.4000 0.0000 C 0 0 -2.7300 -2.1400 0.0000 C 0 0 0.8300 3.2700 0.0000 C 0 0 2.8300 1.4800 0.0000 C 0 0 -2.9300 1.8700 0.0000 C 0 0 -3.1400 0.3500 0.0000 C 0 0 2.3500 2.9400 0.0000 C 0 0 -2.3437 -4.4892 0.0000 Cl 0 0 0.4247 -4.2313 0.0000 O 0 0 -1.7062 3.8553 0.0000 C 0 0 2.2700 -1.1000 0.0000 C 0 0 4.3300 1.1500 0.0000 C 0 0 3.7800 -1.4300 0.0000 C 0 0 4.8000 -0.3000 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 2 0 6 3 1 0 2 7 1 6 8 5 1 0 9 8 2 0 10 4 2 0 3 11 1 1 12 7 2 0 13 14 1 0 14 4 1 0 15 12 1 0 16 9 1 0 17 8 1 0 18 6 1 0 19 7 1 0 20 12 1 0 21 19 2 0 22 21 1 0 10 9 1 0 13 6 1 0 15 11 1 0 22 20 2 0 M END > 147372 > J. Med. Chem. 48(3)-2005 680-693 > D2 > 6.0088 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 2 0 0 0 -1.8409 4.2089 0.0000 C 0 0 2 0 0 0 -3.3408 4.2142 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 3.8991 -0.7525 0.0000 N 0 0 2.5965 -3.0004 0.0000 N 0 0 -0.5267 4.9336 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 0.9321 4.6886 0.0000 C 0 0 -1.0698 6.3446 0.0000 C 0 0 1.8882 5.8445 0.0000 C 0 0 -0.1138 7.5004 0.0000 C 0 0 1.3652 7.2504 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 12 1 0 6 7 1 0 1 7 1 1 8 4 2 0 9 4 1 0 2 10 1 6 11 13 1 0 12 14 1 0 13 6 1 0 14 6 1 0 15 16 1 0 16 9 2 0 17 8 1 0 18 10 1 0 19 10 2 0 20 18 2 0 21 19 1 0 22 21 2 0 3 2 1 0 5 11 1 0 22 20 1 0 15 17 2 0 M END > 61033 > J. Med. Chem. 43(21)-2000 3923-3932 > D2 > 6.1158 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 2.8877 5.5424 0.0000 N 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.1745 6.7076 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 6 1 0 5 1 1 0 6 1 1 0 7 11 1 0 8 5 1 0 9 5 1 0 10 4 1 0 11 9 1 0 12 8 1 0 13 2 2 0 14 3 2 0 15 7 1 0 16 10 1 0 17 10 2 0 18 13 1 0 19 18 2 0 20 16 2 0 21 17 1 0 22 21 2 0 3 4 1 0 12 7 1 0 14 19 1 0 22 20 1 0 M END > 26748 > J. Med. Chem. 38(22)-1995 4380-4392 > D2 > 6.1612 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 6.5873 3.5462 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 8.0566 3.8517 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 9.0572 2.7341 0.0000 C 0 0 8.5244 5.2769 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 9.9925 5.5846 0.0000 C 0 0 10.5254 3.0417 0.0000 C 0 0 10.9930 4.4670 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 9 1 0 5 1 1 0 6 7 1 0 7 1 1 0 8 5 1 0 9 13 1 0 10 12 1 0 11 4 1 0 12 6 1 0 13 6 1 0 14 5 2 0 15 8 2 0 16 11 2 0 17 11 1 0 18 14 1 0 19 18 2 0 20 17 2 0 21 16 1 0 22 20 1 0 2 8 1 0 10 4 1 0 15 19 1 0 21 22 2 0 M END > 30744 > J. Med. Chem. 39(10)-1996 1941-1942 > D2 > 6.9208 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8207 0.7384 0.0000 C 0 0 -6.5260 1.4899 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -7.8175 -0.7588 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2064 -0.7531 0.0000 C 0 0 -6.5194 -1.5046 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 -9.1188 1.4842 0.0000 C 0 0 -9.1122 -1.5103 0.0000 C 0 0 -10.4136 0.7327 0.0000 C 0 0 -10.4103 -0.7645 0.0000 C 0 0 2 1 1 0 3 10 1 0 4 1 2 0 5 6 1 0 6 3 1 0 7 1 1 0 8 2 1 0 9 12 1 0 8 10 1 4 11 3 1 0 12 11 1 0 13 7 1 0 14 7 2 0 15 4 1 0 16 13 1 0 17 14 1 0 18 15 1 0 19 5 2 0 20 9 2 0 21 19 1 0 22 20 1 0 17 15 2 0 16 8 1 0 9 5 1 0 22 21 2 0 M END > 40355 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 6.9586 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -0.9000 -0.9600 0.0000 C 0 0 2 0 0 0 0.7200 -0.9600 0.0000 C 0 0 1 0 0 0 -1.2900 -2.4500 0.0000 O 0 0 -1.9100 0.4100 0.0000 C 0 0 1.5800 0.2500 0.0000 C 0 0 1.2400 1.7400 0.0000 C 0 0 -1.5700 1.6900 0.0000 C 0 0 -0.1400 2.4200 0.0000 C 0 0 0.0000 -3.3300 0.0000 C 0 0 2 0 0 0 1.1800 -2.3600 0.0000 C 0 0 0.0703 -4.8257 0.0000 C 0 0 -1.1922 -5.6373 0.0000 N 0 0 -3.4200 0.0000 0.0000 C 0 0 3.0400 -0.2100 0.0000 C 0 0 -2.6400 2.9000 0.0000 C 0 0 2.3600 2.7900 0.0000 C 0 0 -1.1358 -6.8359 0.0000 C 0 0 -2.2587 -5.0872 0.0000 C 0 0 -4.5300 0.9900 0.0000 C 0 0 4.1800 0.8400 0.0000 C 0 0 -4.1300 2.4900 0.0000 C 0 0 3.8400 2.3100 0.0000 C 0 0 2 1 1 0 1 3 1 6 4 1 1 0 5 2 1 0 6 5 2 0 7 4 2 0 8 7 1 0 9 3 1 0 2 10 1 1 9 11 1 6 12 11 1 0 13 4 1 0 14 5 1 0 15 7 1 0 16 6 1 0 17 12 1 0 18 12 1 0 19 13 2 0 20 14 2 0 21 19 1 0 22 20 1 0 9 10 1 0 8 6 1 0 21 15 2 0 16 22 2 0 M END > 148839 > J. Med. Chem. 48(6)-2005 1709-1712 > D2 > 7.2147 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -1.9399 0.8968 0.0000 O 0 0 1.9399 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -0.6588 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -4.5532 2.4005 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 2 0 0 0 -3.2576 -1.3543 0.0000 C 0 0 -5.8490 4.6546 0.0000 C 0 0 -5.8513 3.1537 0.0000 C 0 0 -4.5555 0.8997 0.0000 C 0 0 -7.1453 5.4093 0.0000 C 0 0 -4.5472 5.4000 0.0000 C 0 0 -4.5419 6.9000 0.0000 C 0 0 -7.1399 6.9093 0.0000 C 0 0 -5.8382 7.6546 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 4 1 0 6 1 1 0 7 8 2 0 8 2 1 0 9 10 1 0 10 6 2 0 11 6 1 0 12 17 1 0 13 3 1 0 14 11 1 0 15 16 1 0 16 12 1 0 13 17 1 6 18 15 1 0 19 15 2 0 20 19 1 0 21 18 2 0 22 20 2 0 13 14 1 0 9 4 2 0 5 7 1 0 22 21 1 0 M END > 52015 > J. Med. Chem. 42(11)-1999 2007-2020 > D2 > 7.4449 $$$$ SciTegic07090714462D 22 24 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 10.3928 0.7351 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 11.6945 1.4805 0.0000 C 0 0 10.3877 -0.7650 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 11.6841 -1.5195 0.0000 C 0 0 12.9909 0.7260 0.0000 C 0 0 12.9858 -0.7740 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 4 2 0 6 4 1 0 7 3 1 0 8 2 1 0 9 5 1 0 10 14 1 0 11 6 1 0 12 7 1 0 13 16 1 0 14 8 1 0 15 10 1 0 16 19 1 0 17 13 2 0 18 13 1 0 19 15 1 0 20 18 2 0 21 17 1 0 22 20 1 0 11 8 1 0 9 7 2 0 22 21 2 0 M END > 40331 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.8697 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 -5.1894 6.0109 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -5.3273 7.4917 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -7.5445 6.5046 0.0000 S 0 0 2.5987 -1.5004 0.0000 C 0 0 -6.5408 5.3898 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.4308 8.2894 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -6.7945 7.8036 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 6.2328 -3.6062 0.0000 F 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 21 1 0 5 7 1 0 6 2 1 0 7 1 1 0 8 14 1 0 9 13 1 0 10 3 2 0 11 6 2 0 12 6 1 0 13 4 1 0 14 4 1 0 15 3 1 0 16 18 1 0 17 1 1 0 18 12 2 0 19 11 1 0 20 16 1 0 21 23 1 0 22 17 1 0 23 22 1 0 5 15 1 0 9 2 1 0 19 16 2 0 M END > 33328 > J. Med. Chem. 39(20)-1996 4044-4057 > D2 > 4.8894 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -3.6414 7.4935 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6365 5.9928 0.0000 N 0 0 -3.6267 2.9927 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3460 8.2499 0.0000 N 0 0 -4.9440 8.2373 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -4.9331 5.2385 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -3.6187 1.4919 0.0000 C 0 0 -4.9282 3.7385 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -3.6559 10.4936 0.0000 C 0 0 -4.9513 9.7373 0.0000 C 0 0 -2.3533 9.7499 0.0000 C 0 0 2 1 2 0 3 5 1 0 4 1 1 0 5 17 1 0 6 18 1 0 7 2 1 0 8 2 1 0 9 13 1 0 10 3 2 0 11 3 1 0 12 1 1 0 13 4 1 0 14 12 2 0 15 4 2 0 16 19 1 0 17 20 1 0 18 9 1 0 19 6 1 0 20 6 1 0 21 22 1 0 22 11 2 0 23 10 1 0 7 14 1 0 9 8 1 0 5 16 1 0 21 23 2 0 M END > 75566 > J. Med. Chem. 43(24)-2000 4678-4693 > D2 > 5.1400 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 0.7675 0.7249 0.0000 C 0 0 2.0752 0.0000 0.0000 C 0 0 -0.5259 0.0000 0.0000 C 0 0 4.9890 0.7391 0.0000 N 0 0 -0.5259 -1.5209 0.0000 C 0 0 0.7648 1.9249 0.0000 O 0 0 2.0752 -1.5209 0.0000 C 0 0 3.1412 -1.0518 0.0000 C 0 0 2.4448 1.4214 0.0000 C 0 0 0.7675 -2.2742 0.0000 C 0 0 6.4454 1.0998 0.0000 C 0 0 3.8946 1.8194 0.0000 C 0 0 4.5768 -0.6823 0.0000 C 0 0 7.4867 0.0189 0.0000 C 0 0 -1.8194 0.7249 0.0000 C 0 0 -1.8194 -2.2742 0.0000 C 0 0 8.9433 0.3773 0.0000 C 0 0 7.0689 -1.4218 0.0000 C 0 0 -3.1270 0.0000 0.0000 C 0 0 -3.1270 -1.5209 0.0000 C 0 0 8.1076 -2.5040 0.0000 C 0 0 9.9820 -0.7049 0.0000 C 0 0 9.5641 -2.1455 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 12 1 0 5 3 1 0 6 1 2 0 7 2 1 0 8 2 1 0 9 2 1 0 10 5 1 0 11 4 1 0 12 9 1 0 13 8 1 0 14 11 1 0 15 3 2 0 16 5 2 0 17 14 1 0 18 14 2 0 19 15 1 0 20 19 2 0 21 18 1 0 22 17 2 0 23 21 2 0 7 10 1 0 13 4 1 0 16 20 1 0 22 23 1 0 M END > 43328 > J. Med. Chem. 41(10)-1998 1557-1560 > D2 > 5.2596 $$$$ SciTegic07090714462D 23 27 0 0 1 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2 0 0 0 5.0539 -4.0303 0.0000 N 0 0 0.0000 1.7286 0.0000 C 0 0 1 0 0 0 3.6079 -4.4294 0.0000 N 0 0 3.7175 -2.0053 0.0000 C 0 0 2.7822 -3.1780 0.0000 C 0 0 3.1695 -0.6090 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 N 0 0 2.5913 1.9239 0.0000 C 0 0 5.1212 -2.5318 0.0000 N 0 0 1.2990 -2.9545 0.0000 C 0 0 -0.1116 3.2255 0.0000 C 0 0 2.4792 3.4197 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 1.1278 4.0705 0.0000 C 0 0 -2.2897 1.8259 0.0000 C 0 0 3.9428 1.2730 0.0000 C 0 0 3.7186 4.2647 0.0000 C 0 0 5.1822 2.1180 0.0000 C 0 0 5.0700 3.6138 0.0000 C 0 0 2 1 1 0 3 12 1 0 4 2 1 0 5 7 1 0 6 8 1 0 7 13 1 0 8 1 2 0 9 1 1 0 10 4 1 0 2 11 1 6 12 6 1 0 13 9 2 0 4 14 1 1 15 11 2 0 16 17 1 0 17 9 1 0 18 15 1 0 19 10 1 0 20 11 1 0 21 15 1 0 22 20 2 0 23 22 1 0 16 10 1 0 6 7 2 0 5 3 2 0 18 14 1 0 23 21 2 0 M END > 147373 > J. Med. Chem. 48(3)-2005 680-693 > D2 > 5.5229 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5930 -4.5047 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 2.5909 -6.0056 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5866 -9.0056 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 3.8888 -6.7574 0.0000 C 0 0 1.2907 -6.7537 0.0000 C 0 0 3.8867 -8.2574 0.0000 C 0 0 1.2886 -8.2537 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5849 -10.2056 0.0000 O 0 0 -3.8916 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 1 3 0 3 5 1 0 4 2 1 0 5 1 1 0 6 3 1 0 7 3 1 0 8 14 1 0 9 10 1 0 10 16 1 0 11 4 2 0 12 4 1 0 13 11 1 0 14 12 2 0 15 9 1 0 16 7 1 0 17 6 1 0 18 8 1 0 19 15 1 0 20 15 2 0 21 19 2 0 22 20 1 0 23 22 2 0 17 10 1 0 8 13 2 0 21 23 1 0 M END > 52408 > J. Med. Chem. 42(13)-1999 2469-2477 > D2 > 5.7696 $$$$ SciTegic07090714462D 23 27 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -6.4994 -0.7433 0.0000 C 0 0 -5.2004 -2.9933 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -6.4995 -3.7433 0.0000 C 0 0 -7.7985 -1.4932 0.0000 C 0 0 -7.7985 -2.9932 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 4 1 0 8 2 1 0 9 6 2 0 10 4 1 0 3 11 1 6 12 11 1 0 13 10 1 0 14 13 1 0 15 6 1 0 16 9 1 0 17 14 1 0 18 14 2 0 19 15 2 0 20 19 1 0 21 18 1 0 22 17 2 0 23 21 2 0 9 5 1 0 7 8 1 0 7 12 1 6 20 16 2 0 23 22 1 0 M END > 84222 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 6.0757 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 -0.8205 -1.5498 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 0.4558 -2.2973 0.0000 C 0 0 1.7503 -1.5498 0.0000 O 0 0 1.7503 0.0000 0.0000 C 0 0 0.4558 0.6928 0.0000 C 0 0 -3.4277 -1.5498 0.0000 N 0 0 -2.1332 -2.2973 0.0000 C 0 0 -2.1332 0.6928 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 0.4521 -3.4973 0.0000 O 0 0 3.0631 0.6928 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 -4.7215 -2.3100 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 -6.0276 -1.5706 0.0000 C 0 0 4.1036 2.7856 0.0000 C 0 0 -7.3219 -2.3288 0.0000 C 0 0 -6.0371 -0.0706 0.0000 C 0 0 -7.3408 0.6712 0.0000 C 0 0 -8.6257 -1.5870 0.0000 C 0 0 -8.6351 -0.0870 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 4 1 0 6 2 1 0 7 8 1 0 8 1 1 0 9 2 1 0 10 6 2 0 11 3 2 0 12 5 2 0 13 7 1 0 14 7 1 0 15 10 1 0 16 12 1 0 17 14 1 0 18 16 1 0 19 17 2 0 20 17 1 0 21 20 2 0 22 19 1 0 23 21 1 0 5 6 1 0 13 9 1 0 16 15 2 0 23 22 2 0 M END > 38510 > J. Med. Chem. 40(17)-1997 2688-2693 > D2 > 6.1113 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -13.0113 0.7342 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -14.3102 1.4843 0.0000 C 0 0 -11.7121 1.4840 0.0000 C 0 0 -15.3495 0.8844 0.0000 N 0 0 -5.2109 0.7445 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4109 0.7361 0.0000 O 0 0 -13.0110 3.7342 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -14.3101 2.9843 0.0000 C 0 0 -11.7120 2.9841 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 8 1 0 5 11 1 0 6 1 1 0 7 4 2 0 8 13 1 0 9 7 1 0 10 17 1 0 11 6 1 0 12 16 1 0 13 19 1 0 14 21 1 0 15 2 2 0 16 10 1 0 17 6 1 0 18 3 2 0 19 12 1 0 20 14 2 0 21 8 2 0 22 15 1 0 23 22 2 0 5 3 1 0 23 18 1 0 7 20 1 0 M END > 40314 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 6.3261 $$$$ SciTegic07090714462D 23 24 0 0 0 0 999 V2000 5.0525 -2.4938 0.0000 C 0 0 6.9571 -4.2609 0.0000 N 0 0 5.4947 -3.9271 0.0000 C 0 0 3.5900 -2.1568 0.0000 C 0 0 7.9774 -3.1613 0.0000 C 0 0 6.0729 -1.3942 0.0000 C 0 0 3.1497 -0.7220 0.0000 N 0 0 1.6852 -0.3846 0.0000 C 0 0 7.5353 -1.7280 0.0000 C 0 0 0.0000 1.7286 0.0000 N 0 0 -0.7500 -1.5574 0.0000 N 0 0 2.7723 -3.0350 0.0000 O 0 0 1.3514 1.0778 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 9.1473 -3.4284 0.0000 N 0 0 4.4762 -5.0294 0.0000 O 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 8.3515 -0.8483 0.0000 Cl 0 0 -1.4048 -2.9100 0.0000 C 0 0 0.0000 2.9286 0.0000 C 0 0 4.8316 -6.1756 0.0000 C 0 0 -2.6016 -2.9980 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 1 1 0 5 9 2 0 6 1 2 0 7 4 1 0 8 7 1 0 9 6 1 0 10 13 1 0 11 14 1 0 12 4 2 0 13 8 1 0 14 8 1 0 15 5 1 0 16 3 1 0 17 10 1 0 18 11 1 0 19 9 1 0 20 11 1 0 21 10 1 0 22 16 1 0 23 20 1 0 5 2 1 0 17 18 1 0 M END > 108653 > J. Med. Chem. 46(5)-2003 702-715 > D2 > 6.4134 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -7.5307 5.8571 0.0000 I 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 2 1 1 0 3 12 1 0 4 1 1 0 5 1 2 0 6 2 1 0 7 3 1 0 8 4 1 0 9 4 2 0 10 6 1 0 11 6 1 0 12 11 1 0 13 10 1 0 14 16 2 0 15 8 2 0 16 9 1 0 17 14 1 0 18 7 1 0 19 18 1 0 20 18 2 0 21 20 1 0 22 19 2 0 23 21 2 0 15 14 1 0 3 13 1 0 22 23 1 0 M END > 16894 > J. Med. Chem. 37(12)-1994 1737-1739 > D2 > 6.4179 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -1.9399 0.8968 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -4.5586 0.8943 0.0000 N 0 0 -0.6588 -1.3543 0.0000 C 0 0 -7.1586 0.8901 0.0000 C 0 0 -8.5794 0.8447 0.0000 C 0 0 -7.8292 2.1436 0.0000 C 0 0 -5.8574 0.1422 0.0000 C 0 0 -0.0531 3.4722 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 0.3146 4.6145 0.0000 O 0 0 -4.5641 2.3951 0.0000 C 0 0 -5.8662 3.1416 0.0000 C 0 0 -5.8706 4.3416 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 1 1 0 6 3 2 0 7 2 2 0 8 5 1 0 9 8 1 0 10 1 2 0 11 14 1 0 12 11 1 0 13 11 1 0 14 9 1 0 15 3 1 0 16 18 1 0 17 19 2 0 18 10 1 0 19 10 1 0 20 15 2 0 21 9 1 0 22 21 1 0 23 22 1 0 7 17 1 0 8 16 1 0 4 6 1 0 13 12 1 0 M END > 23466 > J. Med. Chem. 38(12)-1995 2217-2230 > D2 > 6.6421 $$$$ SciTegic07090714462D 23 26 0 0 1 0 999 V2000 -5.9834 1.9954 0.0000 N 0 0 -2.3155 0.7475 0.0000 N 0 0 -4.9757 0.8630 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 1 0 0 0 -5.2249 3.2720 0.0000 C 0 0 1 0 0 0 -1.0028 1.5132 0.0000 C 0 0 -7.4481 2.2796 0.0000 C 0 0 1 0 0 0 0.2917 -0.7475 0.0000 N 0 0 -3.7449 2.9638 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -2.3155 -0.7475 0.0000 C 0 0 -6.2173 4.3804 0.0000 S 0 0 -8.5573 1.2731 0.0000 C 0 0 -7.5858 3.7967 0.0000 C 0 0 -5.2189 -0.3121 0.0000 O 0 0 -0.9991 2.7132 0.0000 O 0 0 -0.9991 -2.7132 0.0000 O 0 0 -9.7003 1.6388 0.0000 O 0 0 -8.3029 0.1004 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 4 2 1 1 3 1 1 0 4 3 1 0 5 1 1 0 6 2 1 0 7 1 1 0 8 10 1 0 5 9 1 6 10 12 1 0 11 6 1 6 12 2 1 0 13 5 1 0 7 14 1 1 15 7 1 0 16 3 2 0 17 6 2 0 18 10 2 0 19 14 2 0 20 14 1 0 21 8 1 0 22 11 1 0 23 22 1 0 15 13 1 0 9 4 1 0 8 11 1 0 21 23 1 0 M END > 145899 > J. Med. Chem. 40(22)-1997 3594-3600 > D2 > 6.7375 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -3.8891 6.7586 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -2.5847 10.5076 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -3.8869 8.2595 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5868 9.0076 0.0000 C 0 0 -3.8827 11.2594 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -5.1849 9.0113 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -5.1828 10.5113 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 4 3 0 3 1 2 0 4 13 1 0 5 10 1 0 6 14 2 0 7 1 1 0 8 1 1 0 9 3 1 0 10 7 1 0 11 2 1 0 12 5 1 0 13 19 1 0 14 11 1 0 15 20 2 0 16 8 2 0 17 8 1 0 18 11 2 0 19 12 1 0 20 18 1 0 21 17 2 0 22 16 1 0 23 21 1 0 9 5 1 0 22 23 2 0 6 15 1 0 M END > 32116 > J. Med. Chem. 39(16)-1996 3179-3187 > D2 > 7.2518 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 0.0000 -0.2531 0.0000 C 0 0 -0.7088 -1.6031 0.0000 N 0 0 2.5144 -2.3288 0.0000 C 0 0 1.3669 0.0675 0.0000 S 0 0 1.3669 -3.2907 0.0000 C 0 0 2.5144 -0.8438 0.0000 C 0 0 0.0000 -2.9532 0.0000 C 0 0 1.7058 -4.7526 0.0000 N 0 0 3.2850 -7.7513 0.0000 N 0 0 -1.1813 0.7931 0.0000 C 0 0 -2.2275 -1.3838 0.0000 C 0 0 3.8307 -3.0713 0.0000 C 0 0 -2.4638 0.0675 0.0000 C 0 0 3.1861 -5.0502 0.0000 C 0 0 3.8307 0.0000 0.0000 C 0 0 3.8860 -6.3769 0.0000 C 0 0 5.1469 -2.3288 0.0000 C 0 0 0.6296 -7.2466 0.0000 C 0 0 0.5748 -5.7476 0.0000 C 0 0 5.1469 -0.8438 0.0000 C 0 0 6.1831 -2.9340 0.0000 Cl 0 0 1.8358 -8.1383 0.0000 C 0 0 4.0670 -8.6615 0.0000 C 0 0 2 1 1 0 3 6 2 0 4 1 1 0 5 7 1 0 6 4 1 0 7 2 1 0 8 5 1 0 9 16 1 0 10 1 2 0 11 2 1 0 12 3 1 0 13 10 1 0 14 8 1 0 15 6 1 0 16 14 1 0 17 20 1 0 18 19 1 0 19 8 1 0 20 15 2 0 21 17 1 0 22 18 1 0 23 9 1 0 13 11 2 0 3 5 1 0 17 12 2 0 9 22 1 0 M END > 91888 > J. Med. Chem. 45(2)-2002 344-359 > D2 > 7.5229 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 -2.4915 -1.3190 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 -11.4940 -0.6950 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 4.7737 1.4291 0.0000 F 0 0 -5.0029 1.5722 0.0000 C 0 0 -8.9014 0.8146 0.0000 C 0 0 -6.3014 0.8196 0.0000 C 0 0 -10.1922 -1.4403 0.0000 C 0 0 -11.4995 0.8049 0.0000 C 0 0 -7.6029 1.5671 0.0000 C 0 0 -10.2033 1.5597 0.0000 C 0 0 -8.8960 -0.6855 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 2 0 6 1 1 0 7 6 1 0 8 2 1 0 9 4 1 0 10 5 1 0 11 19 2 0 12 7 1 0 13 9 2 0 14 13 1 0 15 13 1 0 16 7 1 0 17 21 1 0 18 16 1 0 19 23 1 0 20 22 2 0 21 18 1 0 22 17 1 0 23 17 2 0 5 3 1 0 12 8 1 0 14 10 2 0 20 11 1 0 M END > 84257 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 8.2218 $$$$ SciTegic07090714462D 24 28 0 0 1 0 999 V2000 3.1695 -0.6090 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 3.7175 -2.0053 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 1 0 0 0 5.5914 -0.4641 0.0000 C 0 0 4.3273 0.3434 0.0000 N 0 0 5.2140 -1.9159 0.0000 N 0 0 0.7500 -1.5574 0.0000 C 0 0 2.7822 -3.1780 0.0000 C 0 0 2.5913 1.9239 0.0000 C 0 0 1.2990 -2.9545 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 1 0 0 0 -1.3515 1.0777 0.0000 N 0 0 2.4792 3.4197 0.0000 C 0 0 6.7084 -0.0257 0.0000 O 0 0 1.1278 4.0705 0.0000 C 0 0 -0.1116 3.2255 0.0000 C 0 0 3.2206 -4.2951 0.0000 Cl 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 3.9428 1.2731 0.0000 C 0 0 3.7186 4.2647 0.0000 C 0 0 5.1822 2.1181 0.0000 C 0 0 5.0700 3.6139 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 6 1 0 6 1 1 0 7 3 1 0 8 2 1 0 9 3 2 0 4 10 1 6 11 9 1 0 12 4 1 0 13 12 1 0 14 10 2 0 15 5 2 0 16 17 1 0 12 17 1 1 18 9 1 0 19 20 1 0 20 8 1 0 21 10 1 0 22 14 1 0 23 21 2 0 24 23 1 0 7 5 1 0 8 11 2 0 19 13 1 0 14 16 1 0 24 22 2 0 M END > 147378 > J. Med. Chem. 48(3)-2005 680-693 > D2 > 5.4855 $$$$ SciTegic07090714462D 24 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -5.2003 -1.4932 0.0000 O 0 0 -6.4990 -0.7410 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -7.8007 -1.4864 0.0000 C 0 0 -6.4939 0.7591 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -7.7903 1.5136 0.0000 C 0 0 -9.0971 -0.7319 0.0000 C 0 0 -9.0919 0.7681 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 4 1 0 8 2 1 0 9 6 2 0 3 10 1 6 11 10 1 0 12 4 1 0 13 15 1 0 14 13 1 0 15 12 1 0 16 6 1 0 17 9 1 0 18 14 2 0 19 14 1 0 20 16 2 0 21 20 1 0 22 19 2 0 23 18 1 0 24 22 1 0 9 5 1 0 7 8 1 0 7 11 1 6 21 17 2 0 24 23 2 0 M END > 84227 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.5850 $$$$ SciTegic07090714462D 24 27 0 0 0 0 999 V2000 -3.3372 5.2929 0.0000 C 0 0 -1.8372 5.2877 0.0000 N 0 0 -3.8056 3.8679 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.3786 3.8595 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8991 -0.7525 0.0000 N 0 0 2.5965 -3.0004 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 -4.2151 6.5101 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -3.7058 7.9157 0.0000 C 0 0 -5.6926 6.2416 0.0000 C 0 0 -6.6591 7.3887 0.0000 C 0 0 -4.6723 9.0628 0.0000 C 0 0 -6.1490 8.7993 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 6 1 0 5 3 1 0 6 14 1 0 7 2 1 0 8 11 1 0 9 4 2 0 10 4 1 0 11 5 1 0 12 1 1 0 13 15 1 0 14 16 1 0 15 8 1 0 16 8 1 0 17 18 1 0 18 10 2 0 19 9 1 0 20 12 1 0 21 12 2 0 22 21 1 0 23 20 2 0 24 22 2 0 5 7 2 0 23 24 1 0 13 6 1 0 19 17 2 0 M END > 34927 > J. Med. Chem. 40(1)-1997 1-3 > D2 > 5.6478 $$$$ SciTegic07090714462D 24 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 -9.1517 -0.8677 0.0000 N 0 0 -7.8003 -1.4887 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 -7.9381 -2.9696 0.0000 S 0 0 -10.1554 -1.9824 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -9.4054 -3.2815 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -6.4990 -0.7410 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 4 1 0 8 2 1 0 9 6 2 0 10 11 2 0 11 20 1 0 3 12 1 6 13 11 1 0 14 10 1 0 15 12 1 0 16 13 1 0 17 4 1 0 18 6 1 0 19 9 1 0 20 22 1 0 21 17 1 0 22 21 1 0 23 18 2 0 24 23 1 0 9 5 1 0 7 8 1 0 7 15 1 6 24 19 2 0 16 14 2 0 M END > 84240 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.6517 $$$$ SciTegic07090714462D 24 27 0 0 0 0 999 V2000 0.7675 0.7249 0.0000 C 0 0 2.0752 0.0000 0.0000 C 0 0 -0.5259 0.0000 0.0000 C 0 0 4.9890 0.7391 0.0000 N 0 0 -0.5259 -1.5209 0.0000 C 0 0 0.7648 1.9249 0.0000 O 0 0 2.0752 -1.5209 0.0000 C 0 0 3.1412 -1.0518 0.0000 C 0 0 2.4448 1.4214 0.0000 C 0 0 0.7675 -2.2742 0.0000 C 0 0 3.8946 1.8194 0.0000 C 0 0 4.5768 -0.6823 0.0000 C 0 0 6.4454 1.0998 0.0000 C 0 0 7.4867 0.0189 0.0000 C 0 0 8.9436 0.3794 0.0000 C 0 0 -1.8194 0.7249 0.0000 C 0 0 -1.8194 -2.2742 0.0000 C 0 0 9.9859 -0.6994 0.0000 C 0 0 9.3568 1.8214 0.0000 C 0 0 -3.1270 0.0000 0.0000 C 0 0 -3.1270 -1.5209 0.0000 C 0 0 10.8122 2.1846 0.0000 C 0 0 11.4413 -0.3362 0.0000 C 0 0 11.8544 1.1058 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 11 1 0 5 3 1 0 6 1 2 0 7 2 1 0 8 2 1 0 9 2 1 0 10 5 1 0 11 9 1 0 12 8 1 0 13 4 1 0 14 13 1 0 15 14 1 0 16 3 2 0 17 5 2 0 18 15 2 0 19 15 1 0 20 16 1 0 21 20 2 0 22 19 2 0 23 18 1 0 24 22 1 0 7 10 1 0 4 12 1 0 17 21 1 0 23 24 2 0 M END > 15133 > J. Med. Chem. 37(3)-1994 364-370 > D2 > 5.6598 $$$$ SciTegic07090714462D 24 27 0 0 1 0 999 V2000 3.9565 0.9958 0.0000 N 0 0 3.1599 -0.3718 0.0000 C 0 0 1 0 0 0 3.1997 2.3367 0.0000 C 0 0 2 0 0 0 0.8099 0.9958 0.0000 C 0 0 1 0 0 0 -1.4483 2.2935 0.0000 C 0 0 1.6065 2.3367 0.0000 C 0 0 1.5799 -0.3718 0.0000 C 0 0 -0.6962 0.9946 0.0000 O 0 0 -2.9491 2.2925 0.0000 C 0 0 2.2040 0.1593 0.0000 C 0 0 2.2040 1.9119 0.0000 C 0 0 -0.6991 3.5938 0.0000 C 0 0 -3.7026 3.5896 0.0000 C 0 0 -3.6957 0.9915 0.0000 C 0 0 -5.9492 2.2846 0.0000 C 0 0 5.1565 0.9958 0.0000 C 0 0 -5.2026 3.5856 0.0000 C 0 0 -5.1957 0.9875 0.0000 C 0 0 -7.1492 2.2814 0.0000 Cl 0 0 -1.4485 4.8933 0.0000 C 0 0 0.8009 3.5933 0.0000 C 0 0 1.5515 4.8920 0.0000 C 0 0 -0.6979 6.1920 0.0000 C 0 0 0.8021 6.1914 0.0000 C 0 0 2 1 1 1 3 1 1 1 4 6 1 0 5 8 1 0 6 3 1 0 7 2 1 0 4 8 1 1 9 5 1 0 10 2 1 0 11 3 1 0 12 5 1 0 13 9 2 0 14 9 1 0 15 18 1 0 16 1 1 0 17 13 1 0 18 14 2 0 19 15 1 0 20 12 2 0 21 12 1 0 22 21 2 0 23 20 1 0 24 22 1 0 10 11 1 0 7 4 1 0 15 17 2 0 24 23 2 0 M END > 88771 > J. Med. Chem. 44(19)-2001 3175-3186 > D2 > 5.7595 $$$$ SciTegic07090714462D 24 28 0 0 1 0 999 V2000 3.5459 0.5703 0.0000 C 0 0 0.6025 3.2180 0.0000 C 0 0 2.1821 1.1407 0.0000 C 0 0 1 0 0 0 -0.5894 2.3119 0.0000 C 0 0 0.9908 0.2333 0.0000 O 0 0 1.9831 2.6391 0.0000 C 0 0 0.4139 4.7032 0.0000 C 0 0 -0.4008 0.8268 0.0000 C 0 0 1 0 0 0 2.5789 -0.5703 0.0000 C 0 0 5.0089 0.0248 0.0000 C 0 0 3.5459 2.2565 0.0000 C 0 0 -1.9700 2.8908 0.0000 C 0 0 4.8106 2.8516 0.0000 C 0 0 3.7195 0.0000 0.0000 C 0 0 6.1000 0.5703 0.0000 C 0 0 -0.9667 5.2821 0.0000 C 0 0 -2.1587 4.3760 0.0000 C 0 0 5.1825 -0.5703 0.0000 C 0 0 6.1000 2.2565 0.0000 C 0 0 3.7195 1.5374 0.0000 C 0 0 1.3691 5.4294 0.0000 O 0 0 -1.1181 6.4725 0.0000 O 0 0 -1.4531 -1.2681 0.0000 N 0 0 -1.5991 -0.0770 0.0000 C 0 0 2 6 1 0 3 1 1 1 4 2 1 0 5 3 1 0 6 3 1 0 7 2 2 0 8 5 1 0 9 1 1 0 10 1 1 0 11 1 1 0 12 4 2 0 13 11 1 0 14 9 1 0 15 10 1 0 16 7 1 0 17 16 2 0 18 15 1 0 19 13 1 0 20 13 1 0 21 7 1 0 22 16 1 0 23 24 1 0 8 24 1 1 20 14 1 0 15 19 1 0 14 18 1 0 4 8 1 0 12 17 1 0 M END > 25159 > J. Med. Chem. 38(18)-1995 3445-3447 > D2 > 5.8097 $$$$ SciTegic07090714462D 24 27 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 6.4370 9.4163 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 5.0532 8.8715 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 6.3279 10.9124 0.0000 N 0 0 2.8877 5.5424 0.0000 N 0 0 2.1749 2.6315 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 7.4528 8.7774 0.0000 O 0 0 4.6914 7.4149 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 3.2494 6.9990 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 4.8714 11.2709 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.0803 9.9965 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 2 5 1 0 3 1 1 0 4 1 2 0 5 13 1 0 6 4 1 0 7 3 1 0 8 2 1 0 9 18 1 0 10 1 1 0 11 3 2 0 12 2 2 0 13 17 1 0 14 7 2 0 15 10 1 0 16 10 1 0 17 9 1 0 18 16 1 0 19 15 1 0 20 11 1 0 21 23 1 0 22 20 2 0 23 5 1 0 24 20 1 0 6 7 1 0 9 19 1 0 22 14 1 0 21 8 1 0 M END > 7935 > J. Med. Chem. 35(6)-1992 1092-1101 > D2 > 6.0915 $$$$ SciTegic07090714462D 24 26 0 0 0 0 999 V2000 -13.0041 -0.7722 0.0000 S 0 0 -1.2964 1.4973 0.0000 O 0 0 -1.2964 -1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -14.0426 -1.3734 0.0000 O 0 0 -13.0060 0.4278 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -11.7030 -1.5202 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -14.0442 -0.1736 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 6 1 0 3 12 1 0 4 14 1 0 5 2 1 0 6 11 1 0 7 1 2 0 8 1 2 0 9 3 1 0 10 1 1 0 11 4 1 0 12 6 1 0 13 17 1 0 14 18 1 0 15 1 1 0 16 10 1 0 17 19 1 0 18 19 1 0 19 22 1 0 20 5 1 0 21 9 1 0 22 16 1 0 23 20 2 0 24 21 2 0 13 4 1 0 9 5 2 0 23 24 1 0 M END > 60679 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 6.0969 $$$$ SciTegic07090714462D 24 26 0 0 0 0 999 V2000 5.1915 -4.5101 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 6.4897 -5.2632 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 9.0847 -6.7685 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 10.1227 -7.3706 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 6.4867 -6.7632 0.0000 C 0 0 7.7903 -4.5158 0.0000 C 0 0 9.0878 -5.2685 0.0000 C 0 0 7.7842 -7.5158 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 1 3 0 3 18 1 0 4 1 1 0 5 3 1 0 6 3 1 0 7 13 2 0 8 10 1 0 9 7 1 0 10 17 1 0 11 4 1 0 12 4 2 0 13 12 1 0 14 11 2 0 15 8 1 0 16 5 1 0 17 6 1 0 18 19 1 0 19 2 1 0 20 15 2 0 21 15 1 0 22 20 1 0 23 21 2 0 24 23 1 0 7 14 1 0 10 16 1 0 22 24 2 0 M END > 52385 > J. Med. Chem. 42(13)-1999 2469-2477 > D2 > 6.0969 $$$$ SciTegic07090714462D 24 26 0 0 0 0 999 V2000 0.0186 0.7828 0.0000 C 0 0 0.0186 -1.6401 0.0000 N 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 N 0 0 1.4351 -1.1556 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 0.3168 3.8022 0.0000 N 0 0 -1.8846 8.5126 0.0000 C 0 0 -1.7556 10.0079 0.0000 C 0 0 -2.0574 -0.4287 0.0000 O 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -2.9717 8.0045 0.0000 O 0 0 -2.9836 10.8694 0.0000 C 0 0 -0.3956 10.6408 0.0000 C 0 0 -1.4917 12.9964 0.0000 C 0 0 -0.2637 12.1350 0.0000 C 0 0 -2.8517 12.3635 0.0000 C 0 0 -1.3861 14.1917 0.0000 F 0 0 2.4072 1.0204 0.0000 C 0 0 0.4462 5.2971 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 1 0 5 4 1 0 6 1 1 0 7 1 1 0 8 12 1 0 9 24 1 0 10 9 1 0 11 3 2 0 12 7 1 0 13 6 1 0 14 9 2 0 15 10 1 0 16 10 2 0 17 18 2 0 18 16 1 0 19 15 2 0 20 17 1 0 21 4 1 0 22 8 1 0 23 22 1 0 24 23 1 0 13 8 1 0 5 2 1 0 17 19 1 0 M END > 48841 > J. Med. Chem. 41(25)-1998 5084-5093 > D2 > 6.1343 $$$$ SciTegic07090714462D 24 28 0 0 1 0 999 V2000 0.0000 1.5002 0.0000 C 0 0 4.0324 5.3224 0.0000 N 0 0 -1.2989 0.7501 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 4.0316 3.7398 0.0000 C 0 0 1 0 0 0 2.7038 6.1008 0.0000 C 0 0 2 0 0 0 -1.2989 -0.7501 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0120 3.0009 0.0000 O 0 0 1.3173 3.7417 0.0000 C 0 0 2 0 0 0 0.0000 -1.5002 0.0000 C 0 0 1.3268 5.2995 0.0000 C 0 0 2.6660 2.9452 0.0000 C 0 0 2.9383 3.7181 0.0000 C 0 0 2.0569 5.2328 0.0000 C 0 0 5.0695 5.9260 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -3.8968 0.7501 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 5 2 1 1 3 1 1 0 4 1 1 0 5 13 1 0 6 12 1 0 7 3 1 0 8 4 2 0 9 1 1 0 10 9 1 6 11 8 1 0 12 10 1 0 13 10 1 0 14 5 1 0 15 6 1 0 16 2 1 0 17 4 1 0 18 3 2 0 19 8 1 0 20 7 2 0 21 18 1 0 22 17 2 0 23 21 2 0 24 22 1 0 11 7 1 0 6 2 1 1 24 19 2 0 20 23 1 0 14 15 1 0 M END > 88770 > J. Med. Chem. 44(19)-2001 3175-3186 > D2 > 6.1726 $$$$ SciTegic07090714462D 24 26 0 0 1 0 999 V2000 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -0.9971 3.0138 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -2.2935 3.7700 0.0000 N 0 0 -2.2878 5.2708 0.0000 C 0 0 2 0 0 0 -3.9605 7.4104 0.0000 N 0 0 -0.5901 7.3907 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 0.0446 3.6095 0.0000 O 0 0 -3.6353 5.9461 0.0000 C 0 0 -0.9324 5.9303 0.0000 C 0 0 -0.9991 -2.7132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 Cl 0 0 -3.0185 8.5777 0.0000 C 0 0 -1.5185 8.5689 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 0.8762 7.7196 0.0000 C 0 0 -5.1289 7.6843 0.0000 C 0 0 1.2350 8.8647 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 1 1 0 6 7 1 0 7 5 2 0 8 3 1 0 9 8 1 6 10 14 1 0 11 15 1 0 12 2 1 0 13 3 2 0 14 9 1 0 15 9 1 0 16 6 1 0 17 7 1 0 18 10 1 0 19 11 1 0 20 4 1 0 21 12 1 0 22 11 1 0 23 10 1 0 24 22 1 0 4 6 2 0 21 20 1 0 18 19 1 0 M END > 108678 > J. Med. Chem. 46(5)-2003 702-715 > D2 > 6.1959 $$$$ SciTegic07090714462D 24 27 0 0 0 0 999 V2000 -3.8958 6.0028 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.8904 7.5035 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -2.5898 8.2510 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -2.5995 5.2481 0.0000 C 0 0 -5.1976 5.2575 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6050 3.7481 0.0000 C 0 0 -5.2030 3.7575 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -5.1879 8.2563 0.0000 C 0 0 -2.5868 9.7510 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -5.1848 9.7563 0.0000 C 0 0 -3.8843 10.5037 0.0000 C 0 0 2 8 1 0 3 5 1 0 4 1 1 0 5 10 1 0 6 16 1 0 7 14 1 0 8 7 1 0 9 4 2 0 10 7 1 0 11 2 2 0 12 1 1 0 13 1 1 0 14 6 1 0 15 12 1 0 16 13 1 0 17 5 2 0 18 3 2 0 19 4 1 0 20 9 1 0 21 17 1 0 22 21 2 0 23 19 2 0 24 23 1 0 6 15 1 0 20 24 2 0 2 3 1 0 22 18 1 0 M END > 138752 > Bioorg. Med. Chem. Lett. 14(3)-2004 585-589 > D2 > 6.4000 $$$$ SciTegic07090714462D 24 26 0 0 1 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 3.8990 -0.7508 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 O 0 0 4.7177 -5.3058 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 5.2499 -1.3728 0.0000 C 0 0 1 0 0 0 5.5462 -2.8414 0.0000 C 0 0 4.4210 -3.8346 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 4.0377 0.7299 0.0000 C 0 0 3.5946 -6.3002 0.0000 C 0 0 6.1404 -5.7814 0.0000 C 0 0 6.4399 -7.2512 0.0000 C 0 0 3.8941 -7.7700 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 5.3167 -8.2455 0.0000 C 0 0 5.5052 1.0408 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 6.2543 -0.2587 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.5563 -9.4213 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 1 2 0 6 10 1 0 7 3 1 0 8 2 1 0 8 9 1 6 10 9 1 0 11 7 2 0 12 2 1 0 13 6 1 0 14 6 1 0 15 14 1 0 16 13 1 0 17 3 2 0 18 11 1 0 19 15 1 0 20 12 1 0 21 17 1 0 22 8 1 0 23 21 2 0 24 19 1 0 22 20 1 0 11 23 1 0 16 19 1 0 M END > 56461 > J. Med. Chem. 43(3)-2000 342-345 > D2 > 6.5000 $$$$ SciTegic07090714462D 24 27 0 0 1 0 999 V2000 -1.0274 1.1076 0.0000 N 0 0 -2.3116 1.8300 0.0000 C 0 0 -3.6118 1.1076 0.0000 C 0 0 2 0 0 0 -5.1368 1.0113 0.0000 N 0 0 0.4013 1.5571 0.0000 C 0 0 1 0 0 0 -5.9492 -0.2470 0.0000 C 0 0 -1.0274 -0.4174 0.0000 C 0 0 2 0 0 0 0.4013 -0.8668 0.0000 S 0 0 0.8798 2.9770 0.0000 C 0 0 1.2681 0.3532 0.0000 C 0 0 -3.6118 -0.4174 0.0000 C 0 0 -2.3084 3.0300 0.0000 O 0 0 -7.4482 -0.1734 0.0000 C 0 0 1 0 0 0 -8.3689 -1.3414 0.0000 N 0 0 -5.4012 -1.3146 0.0000 O 0 0 -2.3116 -1.1558 0.0000 C 0 0 2.0561 3.2145 0.0000 O 0 0 0.0864 3.8773 0.0000 N 0 0 -5.6826 2.4400 0.0000 C 0 0 -3.2426 2.5523 0.0000 C 0 0 -4.5268 3.3550 0.0000 C 0 0 -9.7700 -0.8056 0.0000 C 0 0 -8.2449 1.0825 0.0000 C 0 0 -9.6933 0.6925 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 1 1 0 6 4 1 0 7 1 1 0 7 8 1 6 5 9 1 1 10 5 1 0 11 16 1 0 12 2 2 0 13 6 1 1 14 13 1 0 15 6 2 0 16 7 1 0 17 9 2 0 18 9 1 0 19 4 1 0 3 20 1 6 21 20 1 0 22 14 1 0 23 13 1 0 24 23 1 0 8 10 1 0 3 11 1 0 19 21 1 0 22 24 1 0 M END > 123081 > J. Med. Chem. 42(4)-1999 628-637 > D2 > 6.5850 $$$$ SciTegic07090714462D 24 27 0 0 1 0 999 V2000 -3.3808 -1.0142 0.0000 N 0 0 -1.0818 -0.2299 0.0000 C 0 0 2 0 0 0 -1.9473 -1.4740 0.0000 C 0 0 -0.5139 1.1359 0.0000 N 0 0 -3.3808 0.4868 0.0000 C 0 0 1 0 0 0 -1.9473 0.9466 0.0000 C 0 0 -1.3079 2.4071 0.0000 C 0 0 -4.6925 -1.7715 0.0000 C 0 0 1 0 0 0 -4.6956 -3.2722 0.0000 C 0 0 -4.6925 1.2441 0.0000 S 0 0 -1.5627 -2.6107 0.0000 O 0 0 -0.6040 3.7326 0.0000 C 0 0 1 0 0 0 -1.2697 5.0625 0.0000 N 0 0 -2.5072 2.3650 0.0000 O 0 0 -5.7357 -3.8707 0.0000 O 0 0 0.0947 -1.2036 0.0000 C 0 0 -6.0042 -1.0142 0.0000 C 0 0 0.9601 1.0548 0.0000 C 0 0 -3.6574 -3.8740 0.0000 N 0 0 -6.0042 0.4868 0.0000 C 0 0 1.3388 -0.3651 0.0000 C 0 0 -0.1890 6.1028 0.0000 C 0 0 0.8715 3.9197 0.0000 C 0 0 1.1343 5.3965 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 1 1 0 6 5 1 0 7 4 1 0 8 1 1 0 8 9 1 1 5 10 1 6 11 3 2 0 12 7 1 1 13 12 1 0 14 7 2 0 15 9 2 0 2 16 1 6 17 8 1 0 18 4 1 0 19 9 1 0 20 17 1 0 21 16 1 0 22 13 1 0 23 12 1 0 24 23 1 0 2 6 1 0 20 10 1 0 18 21 1 0 22 24 1 0 M END > 123080 > J. Med. Chem. 42(4)-1999 628-637 > D2 > 6.6091 $$$$ SciTegic07090714462D 24 27 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 S 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -8.8299 2.9467 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 -6.2216 1.4644 0.0000 N 0 0 3.7889 0.0269 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -7.5360 3.7055 0.0000 C 0 0 -8.8197 1.4467 0.0000 C 0 0 -10.1347 3.6882 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -7.5156 0.7056 0.0000 C 0 0 -6.2319 2.9644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -10.1474 5.1882 0.0000 C 0 0 -11.4275 2.9274 0.0000 C 0 0 -12.7328 3.6664 0.0000 C 0 0 -11.4527 5.9273 0.0000 C 0 0 -12.7454 5.1664 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 10 1 0 6 3 1 0 7 16 1 0 8 1 2 0 9 4 1 0 10 15 1 0 11 14 1 0 12 5 1 0 13 6 1 0 14 7 1 0 15 7 1 0 16 19 1 0 17 9 2 0 18 13 2 0 19 17 1 0 20 12 1 0 21 12 2 0 22 21 1 0 23 20 2 0 24 22 2 0 6 4 2 0 18 17 1 0 5 11 1 0 24 23 1 0 M END > 43880 > J. Med. Chem. 41(12)-1988 2010-2018 > D2 > 7.0000 $$$$ SciTegic07090714462D 25 27 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 -6.2216 1.4644 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -4.9050 -0.4745 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 -7.5156 0.7056 0.0000 C 0 0 -6.2319 2.9644 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.1182 4.3614 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -8.8299 2.9467 0.0000 C 0 0 -8.8197 1.4467 0.0000 C 0 0 -7.5360 3.7055 0.0000 C 0 0 -9.8732 3.5396 0.0000 F 0 0 3.7889 0.0269 0.0000 C 0 0 5.2926 4.6080 0.0000 C 0 0 3.3178 5.2555 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 7 1 0 7 11 1 0 8 1 1 0 9 6 1 0 10 4 2 0 11 10 1 0 12 6 2 0 13 5 2 0 14 9 2 0 15 9 1 0 16 8 1 0 17 16 1 0 18 11 2 0 19 21 1 0 20 14 1 0 21 15 2 0 22 19 1 0 23 3 1 0 24 17 1 0 25 17 1 0 2 5 1 0 18 13 1 0 19 20 2 0 M END > 90251 > J. Med. Chem. 44(24)-2001 4031-4034 > D2 > 4.4202 $$$$ SciTegic07090714462D 25 28 0 0 1 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 -7.5599 4.2500 0.0000 C 0 0 2 0 0 0 -6.5563 3.1351 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -9.0496 4.0905 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -5.2049 3.7560 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -6.8097 5.5489 0.0000 C 0 0 -5.3425 5.2368 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -6.7990 1.9599 0.0000 O 0 0 -9.6583 2.7186 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -11.1496 2.5568 0.0000 C 0 0 -8.7726 1.5080 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -9.3781 0.1356 0.0000 C 0 0 -11.7551 1.1844 0.0000 C 0 0 -10.8694 -0.0262 0.0000 C 0 0 2 3 1 0 3 9 1 0 4 13 1 0 5 1 1 0 2 6 1 6 7 5 1 0 8 14 1 0 9 8 1 1 10 1 1 0 11 12 1 0 12 9 1 0 13 10 1 0 10 14 1 1 3 15 1 1 16 6 1 0 17 5 2 0 18 7 2 0 19 16 1 0 20 16 2 0 21 17 1 0 22 21 2 0 23 20 1 0 24 19 2 0 25 23 2 0 7 4 1 0 18 22 1 0 11 2 1 0 25 24 1 0 M END > 54079 > J. Med. Chem. 42(20)-1999 4214-4224 > D2 > 5.2100 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 -5.1815 5.2608 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.5870 3.7544 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -5.1852 3.7608 0.0000 C 0 0 -3.8807 6.0076 0.0000 C 0 0 -6.4794 6.0143 0.0000 C 0 0 -2.5835 5.2544 0.0000 C 0 0 -3.8880 3.0076 0.0000 C 0 0 1.2995 -2.9981 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -7.7815 5.2696 0.0000 C 0 0 -6.4734 7.5144 0.0000 C 0 0 2.3396 -3.5967 0.0000 C 0 0 -7.7694 8.2696 0.0000 C 0 0 -9.0775 6.0249 0.0000 C 0 0 -9.0715 7.5249 0.0000 C 0 0 2 5 1 0 3 2 2 0 4 11 1 0 5 6 1 0 6 4 1 0 7 3 1 0 8 1 1 0 9 1 1 0 10 1 1 0 11 9 1 0 12 8 1 0 13 7 1 0 14 2 1 0 15 17 1 0 16 5 1 0 17 16 1 0 18 14 2 0 19 18 1 0 20 10 1 0 21 10 1 0 22 13 1 0 23 21 1 0 24 20 1 0 25 23 1 0 12 4 1 0 25 24 1 0 15 3 1 0 7 19 2 0 M END > 128936 > J. Med. Chem. 47(9)-2004 2308-2317 > D2 > 5.3706 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 -3.9492 0.8772 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.8193 4.6606 0.0000 C 0 0 -5.8296 7.4819 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 -6.7982 6.3366 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -3.8459 5.8041 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 2 5 1 0 3 4 1 0 4 1 1 0 5 1 2 0 6 13 1 0 7 5 1 0 8 3 1 0 9 18 1 0 10 7 1 0 11 7 1 0 12 10 1 0 13 11 1 0 14 6 1 0 15 14 1 0 16 15 1 0 17 19 1 0 18 20 2 0 19 8 2 0 20 8 1 0 21 16 1 0 22 16 2 0 23 22 1 0 24 21 2 0 25 23 2 0 3 2 2 0 6 12 1 0 17 9 2 0 24 25 1 0 M END > 38120 > J. Med. Chem. 40(15)-1997 2374-2385 > D2 > 5.8861 $$$$ SciTegic07090714462D 25 29 0 0 1 0 999 V2000 0.7978 1.0879 0.0000 N 0 0 2.0489 -1.1605 0.0000 C 0 0 -0.5077 0.3445 0.0000 C 0 0 2 0 0 0 -1.7951 1.0879 0.0000 C 0 0 2.0671 0.3264 0.0000 C 0 0 0.7615 -1.9039 0.0000 C 0 0 -0.5077 -1.1423 0.0000 C 0 0 3.3726 -1.9401 0.0000 C 0 0 -1.7951 2.6110 0.0000 C 0 0 -3.1006 0.3445 0.0000 C 0 0 -4.3880 1.0879 0.0000 C 0 0 -4.3880 2.6110 0.0000 C 0 0 -3.1006 3.3544 0.0000 C 0 0 0.7978 2.6110 0.0000 C 0 0 -5.8204 0.6346 0.0000 O 0 0 -5.8204 3.0643 0.0000 O 0 0 3.3544 -3.4270 0.0000 C 0 0 -6.6907 1.8495 0.0000 C 0 0 -0.5077 3.3544 0.0000 C 0 0 0.7434 -3.4088 0.0000 C 0 0 2.0308 -4.1885 0.0000 C 0 0 4.6879 -1.2176 0.0000 O 0 0 4.6530 -4.1795 0.0000 O 0 0 5.7144 -1.8392 0.0000 C 0 0 4.6521 -5.3795 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 3 1 0 5 1 1 0 6 2 2 0 3 7 1 1 8 2 1 0 9 19 1 0 10 4 1 0 11 10 2 0 12 13 2 0 13 9 1 0 14 1 1 0 15 11 1 0 16 12 1 0 17 8 2 0 18 15 1 0 19 14 1 0 20 6 1 0 21 17 1 0 22 8 1 0 23 17 1 0 24 22 1 0 25 23 1 0 7 6 1 0 9 4 2 0 12 11 1 0 21 20 2 0 18 16 1 0 M END > 61812 > Quant. Struct.-Act. Relat. 18(4)-1999 354-360 > D2 > 6.1300 $$$$ SciTegic07090714462D 25 27 0 0 1 0 999 V2000 -3.6202 1.4892 0.0000 S 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -0.9971 -3.0138 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 -4.9371 -5.4091 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.2935 -3.7700 0.0000 N 0 0 -4.6557 0.8828 0.0000 O 0 0 -3.6279 2.6892 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 -4.6632 2.0826 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1 0 0 0 -3.5842 -6.0270 0.0000 C 0 0 1 0 0 0 0.0446 -3.6095 0.0000 O 0 0 -2.2878 -5.2708 0.0000 C 0 0 -5.9381 -6.5263 0.0000 C 0 0 -5.2439 -3.9427 0.0000 C 0 0 -5.1850 -7.8235 0.0000 C 0 0 -3.7185 -7.5081 0.0000 C 0 0 3.7889 0.0269 0.0000 C 0 0 -6.3837 -3.5675 0.0000 C 0 0 2 6 2 0 3 5 2 0 4 1 1 0 5 10 1 0 6 4 1 0 7 2 1 0 8 3 1 0 9 17 1 0 10 4 2 0 11 7 1 0 12 1 2 0 13 1 2 0 14 5 1 0 15 1 1 0 16 14 1 0 17 19 1 0 18 7 2 0 19 11 1 0 20 9 1 0 21 9 1 0 22 23 1 0 17 23 1 1 16 24 1 1 25 21 1 0 2 3 1 0 8 16 1 0 20 22 1 0 M END > 83410 > J. Med. Chem. 34(1)-1991 261-267 > D2 > 6.1871 $$$$ SciTegic07090714462D 25 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 2.5972 1.5031 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 2.5956 -2.7031 0.0000 O 0 0 -2.8509 5.8560 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -6.4886 5.2609 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -7.7876 7.5110 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -8.8268 8.1110 0.0000 F 0 0 -2.5973 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 3.6331 3.6061 0.0000 C 0 0 1.5548 3.6021 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 12 1 0 5 2 1 0 6 1 1 0 7 2 1 0 8 23 1 0 9 8 1 0 10 3 2 0 11 8 2 0 12 6 1 0 13 9 2 0 14 9 1 0 15 3 1 0 16 17 1 0 17 14 2 0 18 13 1 0 19 16 1 0 20 4 1 0 21 5 1 0 22 20 1 0 23 22 1 0 24 21 1 0 25 21 1 0 7 4 1 0 18 16 2 0 M END > 48839 > J. Med. Chem. 41(25)-1998 5084-5093 > D2 > 6.3979 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 -5.2095 5.9863 0.0000 C 0 0 -3.9073 5.2404 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -6.5073 5.2339 0.0000 N 0 0 -5.2125 7.4863 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.6005 2.9949 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -7.8105 7.4815 0.0000 C 0 0 -6.5129 8.2339 0.0000 C 0 0 -7.8077 5.9815 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 15 1 0 5 1 2 0 6 1 1 0 7 13 1 0 8 2 1 0 9 2 1 0 10 16 1 0 11 3 1 0 12 4 1 0 13 12 1 0 14 8 1 0 15 9 1 0 16 20 1 0 17 18 1 0 18 6 2 0 19 5 1 0 20 13 1 0 21 11 1 0 22 11 2 0 23 21 2 0 24 22 1 0 25 24 2 0 19 17 2 0 14 4 1 0 3 10 2 0 23 25 1 0 M END > 19808 > J. Med. Chem. 37(21)-1994 3523-3533 > D2 > 6.4510 $$$$ SciTegic07090714462D 25 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 -6.4990 5.2481 0.0000 C 0 0 -7.7966 6.0007 0.0000 N 0 0 -5.1985 5.9958 0.0000 N 0 0 -6.4987 3.7473 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 1 0 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -6.4933 8.2482 0.0000 C 0 0 -5.1957 7.4958 0.0000 C 0 0 -7.7938 7.5006 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 10 1 0 3 6 1 0 4 3 2 0 5 3 1 0 15 6 1 6 7 2 1 1 8 1 1 0 9 1 1 0 10 9 1 0 11 8 1 0 12 1 1 0 13 7 1 0 14 7 1 0 15 16 1 0 16 14 1 0 17 13 1 0 18 19 1 0 19 5 2 0 20 4 1 0 21 12 2 0 22 12 1 0 23 22 2 0 24 21 1 0 25 23 1 0 11 2 1 0 25 24 2 0 17 15 1 0 20 18 2 0 M END > 42428 > J. Med. Chem. 41(5)-1988 760-771 > D2 > 6.4949 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 -2.7390 2.9810 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -6.4441 1.8282 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -7.0504 0.4553 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 -8.5414 0.2909 0.0000 C 0 0 -6.1626 -0.7538 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 -9.1445 -1.0825 0.0000 C 0 0 -6.7657 -2.1272 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 -8.2567 -2.2916 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 13 1 0 7 2 1 0 8 6 1 0 9 5 1 0 10 7 1 0 11 7 1 0 12 10 1 0 13 11 1 0 14 8 1 0 15 9 1 0 16 14 2 0 17 14 1 0 18 15 2 0 19 15 1 0 20 17 2 0 21 18 1 0 22 19 2 0 23 16 1 0 24 20 1 0 25 22 1 0 5 3 2 0 6 12 1 0 21 25 2 0 23 24 2 0 M END > 38115 > J. Med. Chem. 40(15)-1997 2374-2385 > D2 > 6.5086 $$$$ SciTegic07090714462D 25 27 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1945 -3.0045 0.0000 N 0 0 2.5972 1.5031 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 6.4946 -3.7543 0.0000 C 0 0 7.7945 -3.0041 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 9.0950 -3.7516 0.0000 C 0 0 10.3927 -2.9992 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 12.7326 -3.1411 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 9.0894 -0.7516 0.0000 C 0 0 7.7918 -1.5041 0.0000 C 0 0 11.6954 -3.7445 0.0000 C 0 0 10.3898 -1.4992 0.0000 C 0 0 3.6331 3.6061 0.0000 C 0 0 1.5548 3.6021 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 11 1 0 5 3 1 0 6 1 1 0 7 1 1 0 8 4 1 0 9 8 1 0 10 6 1 0 11 7 1 0 12 9 2 0 13 12 1 0 14 5 1 0 15 3 2 0 16 20 1 0 17 2 2 0 18 19 2 0 19 9 1 0 20 13 1 0 21 18 1 0 22 14 1 0 23 14 1 0 24 25 2 0 25 17 1 0 10 4 1 0 15 24 1 0 13 21 2 0 M END > 26546 > J. Med. Chem. 38(21)-1995 4211-4222 > D2 > 6.5200 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 3.1128 11.9511 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 2.3078 13.2016 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 4.6618 13.7925 0.0000 S 0 0 4.5595 12.2960 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 1.1101 13.2763 0.0000 O 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 3.2701 14.3522 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 19 1 0 6 2 1 0 7 5 1 0 8 3 2 0 9 15 1 0 10 11 1 0 11 5 1 0 12 4 1 0 13 4 1 0 14 7 2 0 15 13 1 0 16 12 1 0 17 7 1 0 18 3 1 0 19 22 1 0 20 9 1 0 21 8 1 0 22 23 1 0 23 20 1 0 24 18 2 0 25 24 1 0 6 8 1 0 9 16 1 0 21 25 2 0 10 17 1 0 M END > 33329 > J. Med. Chem. 39(20)-1996 4044-4057 > D2 > 6.6498 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 -2.5634 8.2553 0.0000 N 0 0 -2.5812 5.2552 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.5545 9.7560 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -2.6111 0.7486 0.0000 O 0 0 -1.2688 7.4976 0.0000 C 0 0 -3.8669 7.5130 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2523 10.5005 0.0000 C 0 0 -3.8503 10.5117 0.0000 C 0 0 -1.2777 5.9976 0.0000 C 0 0 -3.8757 6.0130 0.0000 C 0 0 -2.5415 12.7561 0.0000 C 0 0 -3.8438 12.0117 0.0000 C 0 0 -1.2458 12.0005 0.0000 C 0 0 -2.5363 13.9561 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 15 1 0 3 5 1 0 4 1 1 0 5 6 1 0 6 11 1 0 7 5 1 0 8 1 1 0 9 1 1 0 10 3 1 0 11 2 1 0 12 4 2 0 13 4 1 0 14 8 1 0 15 9 1 0 16 17 1 0 17 13 2 0 18 12 1 0 19 16 1 0 20 7 1 0 21 3 2 0 22 20 1 0 23 10 2 0 24 21 1 0 25 24 2 0 14 2 1 0 18 16 2 0 10 22 1 0 23 25 1 0 M END > 31448 > J. Med. Chem. 39(13)-1996 2435-2437 > D2 > 6.7959 $$$$ SciTegic07090714462D 25 28 0 0 1 0 999 V2000 -11.7101 2.9885 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -13.0117 3.7340 0.0000 N 0 0 -11.7052 1.4884 0.0000 N 0 0 -10.4114 3.7406 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 2 0 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -14.3032 1.4797 0.0000 C 0 0 -13.0017 0.7340 0.0000 C 0 0 -14.3083 2.9797 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 11 1 0 3 7 1 0 4 1 1 0 5 1 2 0 6 1 1 0 7 2 1 0 8 9 1 0 9 10 1 0 10 2 1 0 11 13 1 0 12 6 1 6 14 13 1 1 14 18 1 0 15 12 1 0 16 12 1 0 17 15 1 0 18 16 1 0 19 20 2 0 20 5 1 0 21 4 2 0 22 3 1 0 23 8 1 0 24 22 2 0 25 23 2 0 21 19 1 0 17 14 1 0 3 8 2 0 24 25 1 0 M END > 42432 > J. Med. Chem. 41(5)-1988 760-771 > D2 > 6.9586 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 4.9531 -1.9978 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 4.8092 -4.6676 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 4.0212 -5.9381 0.0000 C 0 0 6.3104 -4.7094 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 4.7306 -7.2598 0.0000 C 0 0 7.0198 -6.0310 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 6.2299 -7.3062 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 2 1 0 7 13 1 0 8 1 2 0 9 6 1 0 10 6 1 0 11 5 1 0 12 9 1 0 13 10 1 0 14 7 1 0 15 14 1 0 16 11 1 0 17 11 2 0 18 15 2 0 19 15 1 0 20 16 2 0 21 17 1 0 22 19 2 0 23 18 1 0 24 21 2 0 25 22 1 0 4 5 2 0 12 7 1 0 20 24 1 0 23 25 2 0 M END > 52631 > J. Med. Chem. 42(14)-1999 2706-2715 > D2 > 7.0862 $$$$ SciTegic07090714462D 25 27 0 0 0 0 999 V2000 -1.3070 5.4807 0.0000 C 0 0 -2.6060 7.7308 0.0000 N 0 0 -2.6060 6.2308 0.0000 C 0 0 -1.3039 3.9799 0.0000 C 0 0 1.6852 -0.3846 0.0000 N 0 0 -1.3070 8.4808 0.0000 C 0 0 -0.0079 6.2309 0.0000 C 0 0 3.1484 -0.7186 0.0000 C 0 0 -0.0031 3.2314 0.0000 N 0 0 0.0000 1.7286 0.0000 C 0 0 -0.0079 7.7309 0.0000 C 0 0 4.4651 -0.1740 0.0000 C 0 0 4.2210 -1.6540 0.0000 C 0 0 -1.6852 -0.3847 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 -2.3421 3.3781 0.0000 O 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.3101 9.9817 0.0000 N 0 0 -0.7500 -1.5574 0.0000 C 0 0 -3.9073 5.4831 0.0000 O 0 0 1.0313 8.3309 0.0000 Br 0 0 -2.8551 -0.6517 0.0000 C 0 0 -2.3502 10.5802 0.0000 C 0 0 -4.9457 6.0846 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 1 1 0 5 15 1 0 6 11 2 0 7 1 2 0 8 5 1 0 9 4 1 0 10 9 1 0 11 7 1 0 12 8 1 0 13 8 1 0 14 18 1 0 15 10 1 0 16 4 2 0 17 5 1 0 18 10 1 0 19 6 1 0 20 14 1 0 21 3 1 0 22 11 1 0 23 14 1 0 24 19 1 0 25 21 1 0 6 2 1 0 20 17 1 0 12 13 1 0 M END > 108671 > J. Med. Chem. 46(5)-2003 702-715 > D2 > 7.3270 $$$$ SciTegic07090714462D 25 27 0 0 0 0 999 V2000 2.5987 -1.5006 0.0000 C 0 0 4.1697 0.2696 0.0000 N 0 0 2.7022 -0.0406 0.0000 C 0 0 3.9134 -2.1439 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 8.3843 3.3117 0.0000 C 0 0 8.9991 4.6808 0.0000 C 0 0 9.0868 2.3389 0.0000 O 0 0 4.9183 -1.0302 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 10.4910 4.8360 0.0000 C 0 0 8.1188 5.8954 0.0000 C 0 0 2.5962 -2.7006 0.0000 O 0 0 10.2224 7.4201 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 11.1027 6.2056 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 8.7305 7.2651 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 10.7118 8.5158 0.0000 F 0 0 4.7835 1.6364 0.0000 C 0 0 6.2765 1.7895 0.0000 C 0 0 6.8913 3.1586 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 25 1 0 7 6 1 0 8 6 2 0 9 4 1 0 10 5 1 0 11 5 2 0 12 7 2 0 13 7 1 0 14 1 1 0 15 19 1 0 16 20 2 0 17 12 1 0 18 10 2 0 19 13 2 0 20 11 1 0 21 16 1 0 22 15 1 0 23 2 1 0 24 23 1 0 25 24 1 0 2 9 1 0 18 16 1 0 15 17 2 0 M END > 126498 > J. Med. Chem. 47(3)-2004 497-508 > D2 > 7.4800 $$$$ SciTegic07090714462D 25 27 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 0.0000 3.0008 0.0000 S 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 7.2720 -0.6124 0.0000 N 0 0 6.4458 -1.8433 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.0394 3.6005 0.0000 O 0 0 -0.0006 4.2008 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2993 3.7521 0.0000 C 0 0 8.7097 -1.0403 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 6.7647 0.7973 0.0000 C 0 0 7.3323 -3.0387 0.0000 C 0 0 8.7469 -2.5399 0.0000 C 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.2992 4.9521 0.0000 C 0 0 7.5387 1.7143 0.0000 C 0 0 2 7 1 0 3 1 1 0 4 3 1 0 5 1 1 0 6 5 2 0 7 6 1 0 8 1 2 0 9 8 1 0 10 11 1 0 11 4 1 0 12 5 1 0 13 2 2 0 14 2 2 0 15 16 1 0 16 12 2 0 17 2 1 0 18 10 1 0 19 12 1 0 20 10 1 0 21 11 1 0 22 21 1 0 23 19 1 0 24 17 1 0 25 20 1 0 4 9 2 0 7 15 2 0 22 18 1 0 M END > 10115 > J. Med. Chem. 35(13)-1992 2355-2363 > D2 > 7.5376 $$$$ SciTegic07090714462D 25 28 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 4.8092 -4.6676 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 4.1521 -5.9965 0.0000 S 0 0 4.1955 0.2934 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.2871 -4.8423 0.0000 C 0 0 5.2383 -7.0310 0.0000 C 0 0 6.5578 -6.3177 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 1.8365 -3.7777 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 3 1 0 5 1 1 0 6 2 1 0 7 3 1 0 8 16 1 0 9 6 1 0 10 1 2 0 11 7 1 0 12 7 1 0 13 6 2 0 14 9 1 0 15 13 1 0 16 12 1 0 17 11 1 0 18 8 1 0 19 4 1 0 20 18 1 0 21 20 2 0 22 20 1 0 23 22 2 0 24 21 1 0 25 23 1 0 4 2 2 0 17 8 1 0 15 14 2 0 25 24 2 0 M END > 52642 > J. Med. Chem. 42(14)-1999 2706-2715 > D2 > 8.1079 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 5.0484 7.2137 0.0000 N 0 0 4.1182 4.3614 0.0000 N 0 0 3.7889 0.0269 0.0000 O 0 0 3.6500 2.9355 0.0000 C 0 0 5.5166 8.6396 0.0000 C 0 0 6.0509 6.0979 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 5.5858 4.6718 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 6.9854 8.9480 0.0000 C 0 0 9.9228 9.5584 0.0000 C 0 0 11.0977 9.8025 0.0000 Cl 0 0 8.9242 10.6777 0.0000 C 0 0 9.4528 8.1339 0.0000 C 0 0 7.4555 10.3725 0.0000 C 0 0 7.9842 7.8287 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 2 1 0 7 13 1 0 8 10 1 0 9 1 2 0 10 6 1 0 11 7 1 0 12 14 1 0 13 15 1 0 14 8 1 0 15 8 1 0 16 11 1 0 17 20 1 0 18 17 1 0 19 21 1 0 20 22 2 0 21 16 2 0 22 16 1 0 23 4 2 0 24 5 2 0 25 23 1 0 26 24 1 0 4 5 1 0 25 26 2 0 7 12 1 0 17 19 2 0 M END > 82344 > Bioorg. Med. Chem. Lett. 12(21)-2002 3105-3109 > D2 > 5.0940 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -4.9250 2.2308 0.0000 C 0 0 -3.6202 1.4892 0.0000 C 0 0 -6.2409 4.4731 0.0000 N 0 0 3.7889 0.0269 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -6.2298 2.9724 0.0000 C 0 0 -7.5440 5.2162 0.0000 C 0 0 -4.9459 5.2302 0.0000 C 0 0 -6.2682 8.9740 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -6.2571 7.4732 0.0000 C 0 0 -7.5731 9.7155 0.0000 C 0 0 -7.5520 6.7162 0.0000 C 0 0 -4.9540 6.7302 0.0000 C 0 0 -7.5864 11.2155 0.0000 C 0 0 -8.8655 8.9541 0.0000 C 0 0 -8.8920 11.9540 0.0000 C 0 0 -10.1711 9.6926 0.0000 C 0 0 -10.1844 11.1925 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 7 3 0 7 11 1 0 8 13 1 0 9 1 2 0 10 4 1 0 11 10 2 0 12 5 1 0 13 6 1 0 14 8 1 0 15 8 1 0 16 18 1 0 17 12 2 0 18 21 1 0 19 16 1 0 20 14 1 0 21 15 1 0 22 19 2 0 23 19 1 0 24 22 1 0 25 23 2 0 26 25 1 0 4 5 2 0 11 17 1 0 18 20 1 0 24 26 2 0 M END > 60360 > J. Med. Chem. 43(18)-2000 3408-3419 > D2 > 5.5850 $$$$ SciTegic07090714462D 26 29 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -6.5002 3.7446 0.0000 C 0 0 3.8991 -0.7525 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 2 0 0 0 -6.5050 5.2446 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.2093 6.0019 0.0000 O 0 0 2.5965 -3.0004 0.0000 C 0 0 -7.7969 2.9905 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -7.8065 5.9905 0.0000 C 0 0 -5.2148 7.2019 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -9.0983 3.7364 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -9.1031 5.2364 0.0000 C 0 0 2 10 1 0 3 1 1 0 11 4 1 6 5 3 2 0 6 2 1 6 7 1 1 0 8 1 1 0 9 7 1 0 10 8 1 0 11 16 1 0 12 4 1 0 13 6 1 0 14 6 1 0 15 13 1 0 16 14 1 0 17 12 1 0 18 3 1 0 19 4 2 0 20 5 1 0 21 12 2 0 22 17 1 0 23 18 2 0 24 19 1 0 25 23 1 0 26 24 2 0 9 2 1 0 25 20 2 0 15 11 1 0 26 21 1 0 M END > 90846 > J. Med. Chem. 44(25)-2001 4431-4442 > D2 > 5.6737 $$$$ SciTegic07090714462D 26 31 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 -5.2003 -1.4932 0.0000 N 0 0 -2.6003 -1.4978 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 -6.7890 -3.2801 0.0000 C 0 0 -7.5490 -1.9927 0.0000 C 0 0 -6.5561 -0.8772 0.0000 C 0 0 -5.3326 -2.9497 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -9.0530 -1.9914 0.0000 C 0 0 -7.5144 -4.5976 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -9.0341 -4.6055 0.0000 C 0 0 -9.7941 -3.3181 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 4 1 0 8 2 1 0 9 6 2 0 10 18 1 0 11 4 1 0 3 12 1 6 13 16 1 0 14 15 1 0 15 10 1 0 16 10 1 0 17 12 1 0 18 11 1 0 19 6 1 0 20 9 1 0 21 14 1 0 22 13 1 0 23 19 2 0 24 23 1 0 25 22 2 0 26 21 2 0 9 5 1 0 7 8 1 0 7 17 1 6 24 20 2 0 14 13 2 0 25 26 1 0 M END > 84245 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.6990 $$$$ SciTegic07090714462D 26 30 0 0 1 0 999 V2000 -1.3402 -0.8190 0.0000 C 0 0 -1.7993 -2.2336 0.0000 C 0 0 -2.5314 0.0372 0.0000 N 0 0 0.1365 -0.5088 0.0000 C 0 0 1 0 0 0 2.0599 1.2533 0.0000 C 0 0 1 0 0 0 1.1416 -1.6132 0.0000 N 0 0 2.4818 2.6803 0.0000 C 0 0 1 0 0 0 0.5708 0.9059 0.0000 C 0 0 -3.2884 -2.2336 0.0000 C 0 0 -3.7475 -0.7942 0.0000 C 0 0 3.0650 0.1365 0.0000 C 0 0 2 0 0 0 1.4456 3.7655 0.0000 C 0 0 2.6183 -1.2781 0.0000 C 0 0 -0.7818 -3.3504 0.0000 C 0 0 0.6949 -3.0154 0.0000 C 0 0 3.9833 3.0154 0.0000 C 0 0 2 0 0 0 1.7830 4.9171 0.0000 O 0 0 4.5417 0.4715 0.0000 C 0 0 5.0132 1.8986 0.0000 C 0 0 -0.0129 3.4113 0.0000 O 0 0 4.3415 4.1606 0.0000 O 0 0 -4.3183 -3.3504 0.0000 C 0 0 -5.1993 -0.4964 0.0000 C 0 0 -0.8417 4.2791 0.0000 C 0 0 -5.7950 -3.0154 0.0000 C 0 0 -6.2169 -1.5635 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 8 1 6 6 4 1 0 7 5 1 0 4 8 1 6 9 2 1 0 10 3 1 0 11 5 1 0 7 12 1 1 13 6 1 0 14 2 1 0 15 6 1 0 16 7 1 0 17 12 2 0 11 18 1 1 19 18 1 0 20 12 1 0 16 21 1 1 22 9 1 0 23 10 1 0 24 20 1 0 25 22 2 0 26 23 2 0 9 10 2 0 14 15 1 0 13 11 1 0 26 25 1 0 19 16 1 0 M END > 60669 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 5.9488 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 8.0641 -3.8351 0.0000 C 0 0 3.6552 -2.9294 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 8.5365 -5.2596 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 8.8619 -2.9387 0.0000 O 0 0 10.0050 -5.5656 0.0000 C 0 0 7.5374 -6.3785 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 9.4752 -8.1091 0.0000 C 0 0 8.0067 -7.8031 0.0000 C 0 0 10.4743 -6.9903 0.0000 C 0 0 9.8506 -9.2488 0.0000 F 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 3 1 0 5 1 1 0 6 10 1 0 7 8 1 0 8 2 1 0 9 6 1 0 10 16 1 0 11 1 2 0 12 6 2 0 13 9 2 0 14 9 1 0 15 17 1 0 16 18 1 0 17 7 1 0 18 7 1 0 19 20 1 0 20 14 2 0 21 13 1 0 22 19 1 0 23 3 2 0 24 4 2 0 25 23 1 0 26 25 2 0 2 4 1 0 24 26 1 0 10 15 1 0 21 19 2 0 M END > 52718 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 5.9800 $$$$ SciTegic07090714462D 26 30 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -6.4990 -0.7410 0.0000 C 0 0 -6.4969 0.4590 0.0000 O 0 0 -7.8003 -1.4887 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 -9.0994 -0.7388 0.0000 C 0 0 -7.8004 -2.9888 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -9.0994 -3.7388 0.0000 C 0 0 -10.3984 -1.4887 0.0000 C 0 0 -10.3985 -2.9887 0.0000 C 0 0 2 1 2 0 3 1 1 0 3 4 1 6 5 2 1 0 6 1 1 0 7 4 1 6 8 2 1 0 9 6 2 0 10 3 1 0 11 10 1 0 12 19 1 0 13 12 2 0 14 12 1 0 15 4 1 0 16 6 1 0 17 9 1 0 18 15 1 0 19 18 1 0 20 14 2 0 21 14 1 0 22 16 2 0 23 22 1 0 24 21 2 0 25 20 1 0 26 24 1 0 9 5 1 0 7 8 1 0 11 7 1 0 23 17 2 0 26 25 2 0 M END > 69433 > J. Med. Chem. 36(10)-1993 1488-1495 > D2 > 6.2676 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 2.1968 0.6852 0.0000 N 0 0 0.9876 1.5922 0.0000 C 0 0 -0.2419 0.7054 0.0000 N 0 0 1.7333 -0.7256 0.0000 C 0 0 0.2217 -0.7054 0.0000 C 0 0 11.5636 0.8601 0.0000 N 0 0 8.6985 -0.0295 0.0000 N 0 0 0.9987 2.7921 0.0000 O 0 0 2.4305 -1.7022 0.0000 O 0 0 10.4621 1.8784 0.0000 C 0 0 11.2326 -0.6029 0.0000 C 0 0 12.9969 1.3052 0.0000 C 0 0 3.6287 1.1268 0.0000 C 0 0 -1.7333 0.7457 0.0000 C 0 0 9.8000 -1.0477 0.0000 C 0 0 9.0296 1.4335 0.0000 C 0 0 -0.9876 -1.5720 0.0000 C 0 0 7.2642 -0.4717 0.0000 C 0 0 -2.1968 -0.7054 0.0000 C 0 0 13.3303 2.7677 0.0000 C 0 0 14.0968 0.2853 0.0000 C 0 0 4.7294 0.1065 0.0000 C 0 0 6.1636 0.5486 0.0000 C 0 0 15.5301 0.7278 0.0000 C 0 0 14.7636 3.2102 0.0000 C 0 0 15.8634 2.1903 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 10 1 0 7 18 1 0 8 2 2 0 9 4 2 0 10 16 1 0 11 15 1 0 12 6 1 0 13 1 1 0 14 3 1 0 15 7 1 0 16 7 1 0 17 5 1 0 18 23 1 0 19 17 1 0 20 12 2 0 21 12 1 0 22 13 1 0 23 22 1 0 24 21 2 0 25 20 1 0 26 24 1 0 3 5 1 0 19 14 1 0 11 6 1 0 25 26 2 0 M END > 33988 > J. Med. Chem. 39(22)-1996 4439-4450 > D2 > 6.3809 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 -0.2419 0.7054 0.0000 C 0 0 0.2217 -0.7054 0.0000 C 0 0 0.9876 1.5922 0.0000 C 0 0 2.1968 0.6852 0.0000 C 0 0 -0.9876 -1.5720 0.0000 S 0 0 1.7333 -0.7256 0.0000 C 0 0 10.4630 1.8804 0.0000 C 0 0 6.1636 0.5486 0.0000 N 0 0 -1.7333 0.7457 0.0000 C 0 0 -2.1968 -0.7054 0.0000 C 0 0 11.5636 0.8601 0.0000 C 0 0 0.9987 2.7921 0.0000 O 0 0 9.0287 1.4383 0.0000 C 0 0 10.7298 3.0504 0.0000 O 0 0 3.6287 1.1268 0.0000 C 0 0 12.9977 1.2999 0.0000 C 0 0 11.2276 -0.6018 0.0000 C 0 0 8.6977 -0.0247 0.0000 C 0 0 7.9272 2.4565 0.0000 C 0 0 4.7294 0.1065 0.0000 C 0 0 7.2652 -0.4695 0.0000 C 0 0 6.4947 2.0117 0.0000 C 0 0 13.7596 -1.1840 0.0000 C 0 0 12.3255 -1.6238 0.0000 C 0 0 14.0957 0.2779 0.0000 C 0 0 14.6379 -2.0016 0.0000 F 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 2 1 0 7 13 1 0 8 20 1 0 9 1 1 0 10 9 2 0 11 7 1 0 12 3 2 0 13 19 1 0 14 7 2 0 15 4 1 0 16 11 1 0 17 11 2 0 18 21 1 0 19 22 1 0 20 15 1 0 21 8 1 0 22 8 1 0 23 24 2 0 24 17 1 0 25 16 2 0 26 23 1 0 5 10 1 0 6 4 1 0 18 13 1 0 25 23 1 0 M END > 52721 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 6.3900 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 3.3443 -5.3916 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 F 0 0 3.9201 -6.7775 0.0000 C 0 0 3.2486 -11.9340 0.0000 C 0 0 3.0085 -7.9698 0.0000 C 0 0 2.6728 -10.5480 0.0000 O 0 0 3.5844 -9.3558 0.0000 C 0 0 2.3393 -13.1269 0.0000 C 0 0 4.7365 -12.1252 0.0000 C 0 0 2.9176 -14.5109 0.0000 C 0 0 5.3148 -13.5092 0.0000 C 0 0 4.4054 -14.7021 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 13 1 0 7 3 2 0 8 5 2 0 9 2 1 0 10 8 1 0 11 9 1 0 12 9 1 0 13 12 1 0 14 11 1 0 15 7 1 0 16 10 1 0 17 6 1 0 18 20 1 0 19 17 1 0 20 21 1 0 21 19 1 0 22 18 2 0 23 18 1 0 24 22 1 0 25 23 2 0 26 25 1 0 3 5 1 0 6 14 1 0 15 10 2 0 24 26 2 0 M END > 22162 > J. Med. Chem. 38(7)-1995 1119-1131 > D2 > 6.4389 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 2.1968 0.6852 0.0000 N 0 0 0.9876 1.5922 0.0000 C 0 0 1.7333 -0.7256 0.0000 C 0 0 -0.2419 0.7054 0.0000 N 0 0 0.2217 -0.7054 0.0000 C 0 0 9.0287 1.4383 0.0000 N 0 0 3.6287 1.1268 0.0000 C 0 0 10.4620 1.8833 0.0000 C 0 0 6.1636 0.5486 0.0000 N 0 0 0.9987 2.7921 0.0000 O 0 0 2.4305 -1.7022 0.0000 O 0 0 8.6977 -0.0247 0.0000 C 0 0 7.9272 2.4565 0.0000 C 0 0 10.7955 3.3459 0.0000 C 0 0 4.7294 0.1065 0.0000 C 0 0 7.2651 -0.4695 0.0000 C 0 0 6.4947 2.0117 0.0000 C 0 0 -1.7333 0.7457 0.0000 C 0 0 -0.9876 -1.5720 0.0000 C 0 0 9.6971 4.3687 0.0000 O 0 0 -2.1968 -0.7054 0.0000 C 0 0 11.5619 0.8634 0.0000 C 0 0 12.2287 3.7884 0.0000 C 0 0 9.9656 5.5383 0.0000 C 0 0 12.9952 1.3060 0.0000 C 0 0 13.3286 2.7684 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 13 1 0 7 1 1 0 8 6 1 0 9 15 1 0 10 2 2 0 11 3 2 0 12 16 1 0 13 17 1 0 14 8 2 0 15 7 1 0 16 9 1 0 17 9 1 0 18 4 1 0 19 5 1 0 20 14 1 0 21 19 1 0 22 8 1 0 23 14 1 0 24 20 1 0 25 22 2 0 26 25 1 0 4 5 1 0 21 18 1 0 12 6 1 0 23 26 2 0 M END > 33971 > J. Med. Chem. 39(22)-1996 4439-4450 > D2 > 6.4425 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 S 0 0 -3.6445 7.4936 0.0000 C 0 0 -3.6267 2.9927 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -4.9477 8.2379 0.0000 C 0 0 -3.6365 5.9928 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -2.6082 8.0988 0.0000 O 0 0 -3.6187 1.4919 0.0000 C 0 0 -4.9579 9.7379 0.0000 C 0 0 -6.2418 7.4792 0.0000 C 0 0 -4.9331 5.2385 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -4.9282 3.7385 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -7.5559 9.7204 0.0000 C 0 0 -7.5458 8.2205 0.0000 C 0 0 -6.2619 10.4791 0.0000 C 0 0 -8.5991 10.3134 0.0000 F 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 13 1 0 6 16 1 0 7 2 1 0 8 11 1 0 9 1 1 0 10 9 2 0 11 3 1 0 12 5 1 0 13 20 1 0 14 3 2 0 15 5 2 0 16 8 1 0 17 12 2 0 18 12 1 0 19 21 1 0 20 22 1 0 21 6 1 0 22 6 1 0 23 24 1 0 24 18 2 0 25 17 1 0 26 23 1 0 10 4 1 0 7 8 1 0 13 19 1 0 25 23 2 0 M END > 52730 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 6.5000 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 4.9531 -1.9978 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 1.6115 -3.9772 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 4.6873 -4.3927 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 0.1606 -3.6178 0.0000 C 0 0 2.0333 -5.4186 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -0.8791 -4.6991 0.0000 C 0 0 0.9937 -6.4998 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -0.4625 -6.1401 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 2 1 0 7 12 1 0 8 1 2 0 9 4 1 0 10 6 1 0 11 6 1 0 12 11 1 0 13 10 1 0 14 7 1 0 15 5 1 0 16 14 1 0 17 9 1 0 18 9 2 0 19 16 1 0 20 16 2 0 21 17 2 0 22 18 1 0 23 20 1 0 24 19 2 0 25 22 2 0 26 23 2 0 4 5 2 0 13 7 1 0 21 25 1 0 24 26 1 0 M END > 52630 > J. Med. Chem. 42(14)-1999 2706-2715 > D2 > 6.5528 $$$$ SciTegic07090714462D 26 30 0 0 1 0 999 V2000 -2.8236 -2.1289 0.0000 C 0 0 -1.5687 0.1345 0.0000 C 0 0 -1.5238 -1.3894 0.0000 C 0 0 1 0 0 0 -2.8236 -3.6079 0.0000 C 0 0 -4.1233 -1.3894 0.0000 C 0 0 -2.9132 0.9188 0.0000 C 0 0 1.0756 -1.3670 0.0000 N 0 0 -5.4230 -2.1289 0.0000 C 0 0 -2.9132 2.3754 0.0000 C 0 0 -0.2241 -2.1289 0.0000 C 0 0 2 0 0 0 -4.1233 -4.3250 0.0000 C 0 0 -0.2465 0.9188 0.0000 C 0 0 -5.4230 -3.6079 0.0000 C 0 0 1.0532 0.1345 0.0000 C 0 0 -1.5238 -4.3250 0.0000 C 0 0 -1.5911 3.1597 0.0000 C 0 0 -0.2689 2.3978 0.0000 C 0 0 -4.2173 3.1181 0.0000 C 0 0 -0.2241 -3.6079 0.0000 C 0 0 -6.4604 -1.5256 0.0000 O 0 0 -6.4564 -4.2180 0.0000 O 0 0 -4.2226 4.6184 0.0000 C 0 0 -5.5139 2.3640 0.0000 C 0 0 -6.8155 3.1095 0.0000 C 0 0 -5.5242 5.3640 0.0000 C 0 0 -6.8207 4.6095 0.0000 C 0 0 3 2 1 1 3 1 1 0 4 1 2 0 5 1 1 0 6 2 1 0 10 7 1 6 8 5 2 0 9 6 2 0 10 3 1 0 11 4 1 0 12 2 2 0 13 8 1 0 14 7 1 0 15 4 1 0 16 17 2 0 17 12 1 0 18 9 1 0 19 15 1 0 20 8 1 0 21 13 1 0 22 18 2 0 23 18 1 0 24 23 2 0 25 22 1 0 26 24 1 0 13 11 2 0 10 19 1 0 12 14 1 0 9 16 1 0 26 25 2 0 M END > 142235 > J. Med. Chem. 38(16)-1995 3062-3070 > D2 > 7.0448 $$$$ SciTegic07090714462D 26 29 0 0 1 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 3.9511 -0.8815 0.0000 N 0 0 -7.7875 7.5110 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 -1.2990 0.7500 0.0000 N 0 0 -9.0839 8.2656 0.0000 N 0 0 -6.4858 8.2566 0.0000 N 0 0 -7.7897 6.0102 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 2 0 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 2 0 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -7.7770 10.5111 0.0000 C 0 0 -6.4806 9.7566 0.0000 C 0 0 -9.0787 9.7656 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 9 1 0 5 1 1 0 6 15 1 0 7 4 1 0 8 4 2 0 17 9 1 6 10 3 1 0 11 2 1 0 12 2 1 0 13 5 1 0 14 11 1 0 15 12 1 0 16 6 1 0 17 21 1 0 18 16 1 0 19 18 1 1 20 22 1 0 21 23 1 0 22 19 1 0 23 19 1 0 24 25 2 0 25 8 1 0 26 7 2 0 13 10 2 0 14 6 1 0 20 17 1 0 26 24 1 0 M END > 42445 > J. Med. Chem. 41(5)-1988 760-771 > D2 > 7.3372 $$$$ SciTegic07090714462D 26 28 0 0 0 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 F 0 0 -3.8775 6.0115 0.0000 N 0 0 -6.4527 12.0265 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -7.7473 12.7843 0.0000 C 0 0 -5.1493 12.7689 0.0000 C 0 0 -5.1681 8.2686 0.0000 C 0 0 -5.1622 9.7694 0.0000 C 0 0 -5.1404 14.2689 0.0000 C 0 0 -7.7384 14.2843 0.0000 C 0 0 -6.4350 15.0265 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 8 1 0 6 1 1 0 7 2 1 0 8 6 2 0 9 4 2 0 10 4 1 0 11 3 1 0 12 10 1 0 13 8 1 0 14 16 1 0 15 19 1 0 16 18 1 0 17 14 1 0 18 11 1 0 19 23 1 0 20 15 1 0 21 15 2 0 22 17 1 0 23 22 1 0 24 21 1 0 25 20 2 0 26 24 2 0 3 5 2 0 7 12 1 0 25 26 1 0 M END > 45035 > J. Med. Chem. 41(15)-1998 2765-2778 > D2 > 7.3575 $$$$ SciTegic07090714462D 26 28 0 0 0 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 F 0 0 -5.1444 12.7695 0.0000 C 0 0 -3.8775 6.0115 0.0000 N 0 0 -5.1622 9.7694 0.0000 C 0 0 -6.4479 12.0272 0.0000 C 0 0 -3.8499 12.0118 0.0000 C 0 0 -6.4568 10.5272 0.0000 C 0 0 -3.8587 10.5118 0.0000 C 0 0 -5.1387 14.2703 0.0000 O 0 0 -3.8717 7.5123 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 -5.1681 8.2686 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -6.1752 14.8749 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 8 1 0 6 1 1 0 7 2 1 0 8 6 2 0 9 4 2 0 10 4 1 0 11 3 1 0 12 10 1 0 13 8 1 0 14 18 1 0 15 23 1 0 16 24 1 0 17 19 1 0 18 20 2 0 19 16 2 0 20 16 1 0 21 14 1 0 22 15 1 0 23 25 1 0 24 22 1 0 25 11 1 0 26 21 1 0 3 5 2 0 12 7 1 0 17 14 2 0 M END > 45029 > J. Med. Chem. 41(15)-1998 2765-2778 > D2 > 7.4202 $$$$ SciTegic07090714462D 26 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2541 -5.6376 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 3.1332 -7.5416 0.0000 C 0 0 0.1290 -6.6309 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 -1.2940 -6.1565 0.0000 C 0 0 0.4295 -8.1005 0.0000 C 0 0 -1.0432 3.5993 0.0000 C 0 0 -2.4164 -7.1516 0.0000 C 0 0 -0.6929 -9.0957 0.0000 C 0 0 -2.1158 -8.6212 0.0000 C 0 0 2 7 1 0 3 1 1 0 4 1 1 0 5 3 1 0 6 2 1 0 7 10 1 1 8 4 2 0 9 3 2 0 10 5 1 0 11 4 1 0 12 1 2 0 13 2 1 0 14 6 1 0 15 8 1 0 16 12 1 0 17 19 1 0 18 16 2 0 19 7 1 0 20 11 1 0 21 14 1 0 22 14 2 0 23 15 1 0 24 21 2 0 25 22 1 0 26 25 2 0 8 18 1 0 13 17 1 0 26 24 1 0 M END > 64386 > J. Med. Chem. 34(3)-1991 948-955 > D2 > 7.6778 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 15.7123 3.4559 0.0000 N 0 0 1.2964 1.4973 0.0000 O 0 0 14.3005 1.4977 0.0000 C 0 0 16.5939 2.2390 0.0000 C 0 0 14.2927 2.9927 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 15.7249 1.0493 0.0000 O 0 0 13.0101 0.7252 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 12.9942 3.7516 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 11.6941 1.4828 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 11.6855 2.9790 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 7.7928 0.7396 0.0000 C 0 0 10.3928 0.7351 0.0000 O 0 0 6.4942 1.4919 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 9 2 0 5 8 1 0 6 11 2 0 7 1 2 0 8 4 1 0 9 15 1 0 10 1 1 0 11 18 1 0 12 10 2 0 13 10 1 0 14 7 1 0 15 23 1 0 16 3 1 0 17 12 1 0 18 15 2 0 19 25 1 0 20 13 1 0 21 14 1 0 22 24 1 0 23 26 1 0 24 19 1 0 25 16 1 0 26 22 1 0 20 16 1 0 14 17 2 0 6 4 1 0 5 2 2 0 M END > 40309 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.8356 $$$$ SciTegic07090714462D 26 29 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 12.9991 0.7361 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 15.3983 0.4681 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 14.2975 1.4772 0.0000 C 0 0 14.8029 -0.8794 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 13.3082 -0.7249 0.0000 C 0 0 11.6941 1.4828 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 10.3928 0.7351 0.0000 O 0 0 -3.6486 1.3517 0.0000 O 0 0 7.7928 0.7396 0.0000 C 0 0 13.0051 3.7415 0.0000 C 0 0 14.3208 2.9811 0.0000 C 0 0 11.7067 3.0004 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 2 10 1 0 3 1 1 0 4 6 1 0 5 1 2 0 6 2 2 0 7 9 2 0 8 1 1 0 9 2 1 0 10 18 1 0 11 8 2 0 12 8 1 0 13 5 1 0 14 3 1 0 15 11 1 0 16 25 1 0 17 12 1 0 18 26 1 0 19 13 1 0 20 24 1 0 21 23 1 0 22 21 2 0 23 10 2 0 24 16 1 0 25 14 1 0 26 20 1 0 17 14 1 0 13 15 2 0 6 22 1 0 7 4 1 0 M END > 40308 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.8861 $$$$ SciTegic07090714462D 26 29 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.8809 8.2579 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -3.8810 9.7579 0.0000 N 0 0 -5.1800 7.5079 0.0000 N 0 0 -2.5827 7.5048 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5848 6.0040 0.0000 C 0 0 1 0 0 0 -2.5951 3.0039 0.0000 C 0 0 1 0 0 0 -3.8864 5.2585 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -6.4791 9.7579 0.0000 C 0 0 -6.4791 8.2579 0.0000 C 0 0 -5.1800 10.5079 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 6 1 0 3 12 1 0 4 2 2 0 5 2 1 0 13 6 1 6 7 1 1 0 8 1 1 0 9 1 1 0 10 3 1 0 11 7 1 0 12 8 1 0 13 16 1 0 14 10 1 1 15 17 1 0 16 18 1 0 17 14 1 0 18 14 1 0 19 20 1 0 20 5 2 0 21 4 1 0 22 9 2 0 23 9 1 0 24 23 2 0 25 22 1 0 26 24 1 0 11 3 1 0 25 26 2 0 15 13 1 0 21 19 2 0 M END > 42429 > J. Med. Chem. 41(5)-1988 760-771 > D2 > 8.2441 $$$$ SciTegic07090714462D 27 30 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -7.7875 7.5110 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -9.0839 8.2656 0.0000 N 0 0 -6.4858 8.2566 0.0000 N 0 0 -7.7897 6.0102 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.1945 -3.0045 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 1 0 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -7.7770 10.5111 0.0000 C 0 0 -6.4806 9.7566 0.0000 C 0 0 -9.0787 9.7656 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2 6 1 0 3 11 1 0 4 2 2 0 5 2 1 0 14 6 1 1 7 1 1 0 8 1 1 0 9 1 1 0 10 27 1 0 11 9 1 0 12 8 1 0 13 3 1 0 14 20 1 0 15 7 2 0 16 7 1 0 17 13 1 0 18 17 1 6 19 21 1 0 20 22 1 0 21 18 1 0 22 18 1 0 23 24 1 0 24 5 2 0 25 4 1 0 26 15 1 0 27 16 2 0 12 3 1 0 10 26 2 0 19 14 1 0 25 23 2 0 M END > 42442 > J. Med. Chem. 41(5)-1988 760-771 > D2 > 5.3188 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.5812 5.2552 0.0000 N 0 0 -2.5634 8.2553 0.0000 N 0 0 -2.5870 3.7544 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -0.2489 3.5938 0.0000 O 0 0 -1.2964 -1.4973 0.0000 O 0 0 -2.5576 9.7561 0.0000 C 0 0 -3.8758 6.0130 0.0000 C 0 0 -1.2777 5.9976 0.0000 C 0 0 -1.2688 7.4976 0.0000 C 0 0 -3.8669 7.5130 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.8540 10.5123 0.0000 C 0 0 -6.4484 12.0188 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.4862 12.6213 0.0000 Cl 0 0 -5.1476 12.7656 0.0000 C 0 0 -6.4521 10.5188 0.0000 C 0 0 -3.8504 12.0124 0.0000 C 0 0 -5.1549 9.7656 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 6 1 0 5 13 1 0 6 2 1 0 7 3 2 0 8 2 2 0 9 18 1 0 10 5 1 0 11 4 1 0 12 4 1 0 13 12 1 0 14 11 1 0 15 1 1 0 16 10 1 0 17 21 1 0 18 15 1 0 19 17 1 0 20 22 1 0 21 23 2 0 22 16 2 0 23 16 1 0 24 3 1 0 25 7 1 0 26 24 2 0 27 26 1 0 9 7 1 0 27 25 2 0 5 14 1 0 17 20 2 0 M END > 82337 > Bioorg. Med. Chem. Lett. 12(21)-2002 3105-3109 > D2 > 5.5834 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 0.3168 3.8022 0.0000 N 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -0.3908 10.6410 0.0000 N 0 0 0.4462 5.2971 0.0000 C 0 0 -0.6547 7.6525 0.0000 N 0 0 0.0186 0.7828 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 -0.2587 12.1359 0.0000 C 0 0 -2.0023 3.8835 0.0000 O 0 0 2.6644 3.3712 0.0000 O 0 0 -1.7507 10.0081 0.0000 C 0 0 0.8373 9.7796 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 1.1002 12.7710 0.0000 C 0 0 -1.4881 12.9954 0.0000 C 0 0 -1.8827 8.5140 0.0000 C 0 0 0.7053 8.2854 0.0000 C 0 0 0.0004 15.1248 0.0000 C 0 0 -1.3586 14.4898 0.0000 C 0 0 1.2298 14.2654 0.0000 C 0 0 0.1041 16.3203 0.0000 F 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 1.4351 -1.1556 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 14 1 0 5 1 1 0 6 15 1 0 7 8 1 0 8 3 1 0 9 2 1 0 10 4 1 0 11 3 2 0 12 2 2 0 13 18 1 0 14 19 1 0 15 5 1 0 16 10 2 0 17 10 1 0 18 6 1 0 19 6 1 0 20 21 1 0 21 17 2 0 22 16 1 0 23 20 1 0 24 7 1 0 25 7 1 0 26 24 1 0 27 25 1 0 9 7 1 0 13 4 1 0 27 26 1 0 22 20 2 0 M END > 151064 > J. Med. Chem. 48(8)-2005 3076-3079 > D2 > 5.6576 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 6.5076 7.4871 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 7.8099 8.2330 0.0000 C 0 0 3.9042 5.9961 0.0000 N 0 0 9.1076 7.4806 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 6.5024 5.9871 0.0000 C 0 0 5.2111 8.2416 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 3.9095 7.4961 0.0000 C 0 0 5.2008 5.2416 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 -1.2907 -2.9981 0.0000 O 0 0 2.6003 3.7467 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 7.8128 9.7331 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 10.4080 8.2282 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.3272 -3.6028 0.0000 C 0 0 9.1132 10.4806 0.0000 C 0 0 10.4108 9.7282 0.0000 C 0 0 2 3 2 0 3 10 1 0 4 1 1 0 5 11 1 0 6 4 1 0 7 2 1 0 8 1 1 0 9 1 1 0 10 13 1 0 11 9 1 0 12 8 1 0 13 15 1 0 14 7 1 0 15 18 1 0 16 21 1 0 17 3 1 0 18 5 1 0 19 4 2 0 20 17 2 0 21 24 1 0 22 6 2 0 23 20 1 0 24 10 1 0 25 14 1 0 26 19 1 0 27 26 2 0 12 5 1 0 22 27 1 0 2 16 1 0 7 23 2 0 M END > 32157 > J. Med. Chem. 39(16)-1996 3195-3202 > D2 > 5.7328 $$$$ SciTegic07090714462D 27 30 0 0 1 0 999 V2000 4.2100 5.4500 0.0000 N 0 0 -4.9112 2.5213 0.0000 C 0 0 4.2100 2.4900 0.0000 C 0 0 1 0 0 0 3.6200 4.0100 0.0000 C 0 0 2 0 0 0 -6.1007 3.4364 0.0000 C 0 0 -5.1094 1.0337 0.0000 C 0 0 2.2100 3.5700 0.0000 C 0 0 2.8600 1.9800 0.0000 C 0 0 1.6400 2.4100 0.0000 C 0 0 2 0 0 0 -7.4885 2.8670 0.0000 C 0 0 -5.9001 4.9230 0.0000 C 0 0 -3.9220 0.1169 0.0000 C 0 0 -6.4969 0.4636 0.0000 C 0 0 -8.4748 5.2706 0.0000 C 0 0 -5.5097 -1.9396 0.0000 C 0 0 5.4700 1.6000 0.0000 C 0 0 5.0900 3.1500 0.0000 C 0 0 -8.6755 3.7840 0.0000 C 0 0 -4.1222 -1.3697 0.0000 C 0 0 -7.0871 5.8400 0.0000 C 0 0 -6.6970 -1.0230 0.0000 C 0 0 -9.4244 6.0042 0.0000 F 0 0 -5.6698 -3.1289 0.0000 F 0 0 -3.5235 3.0930 0.0000 O 0 0 0.2432 1.8345 0.0000 O 0 0 -2.3340 2.1779 0.0000 C 0 0 -0.9463 2.7496 0.0000 C 0 0 2 24 1 0 3 1 1 6 4 1 1 1 5 2 1 0 6 2 1 0 7 4 1 0 8 3 1 0 9 7 1 0 10 5 2 0 11 5 1 0 12 6 2 0 13 6 1 0 14 20 1 0 15 21 1 0 16 3 1 0 17 4 1 0 18 10 1 0 19 12 1 0 20 11 2 0 21 13 2 0 22 14 1 0 23 15 1 0 24 26 1 0 9 25 1 6 26 27 1 0 27 25 1 0 16 17 1 0 8 9 1 0 15 19 2 0 14 18 2 0 M END > 88767 > J. Med. Chem. 44(19)-2001 3175-3186 > D2 > 5.9508 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 9.0814 -7.5096 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 10.3810 -8.2601 0.0000 C 0 0 6.4832 -6.0096 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 11.6814 -7.5122 0.0000 N 0 0 7.7823 -8.2596 0.0000 C 0 0 9.0814 -6.0096 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 6.4833 -7.5096 0.0000 C 0 0 7.7824 -5.2596 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 10.3787 -9.7601 0.0000 C 0 0 12.9792 -8.2643 0.0000 C 0 0 3.8890 -3.0026 0.0000 C 0 0 11.6766 -10.5122 0.0000 C 0 0 12.9768 -9.7643 0.0000 C 0 0 2 14 1 0 3 1 2 0 4 1 1 0 5 2 1 0 6 20 1 0 7 3 1 0 8 4 1 0 9 3 1 0 10 1 1 0 11 8 2 0 12 5 2 0 13 16 1 0 14 17 1 0 15 4 2 0 16 6 1 0 17 6 1 0 18 19 1 0 19 10 2 0 20 21 1 0 21 25 1 0 22 18 1 0 23 5 1 0 24 12 1 0 25 22 1 0 26 23 2 0 27 26 1 0 18 7 2 0 11 9 1 0 2 13 1 0 27 24 2 0 M END > 83384 > J. Med. Chem. 34(1)-1991 248-256 > D2 > 6.0000 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -10.4109 -0.7361 0.0000 N 0 0 -10.5318 0.7220 0.0000 C 0 0 -11.7576 -1.3531 0.0000 C 0 0 -11.9984 1.0490 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -12.7544 -0.2389 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -12.2119 -2.7869 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -9.6273 1.5107 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1121 -1.4882 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 -1.4966 0.0000 N 0 0 1.2995 -2.9981 0.0000 O 0 0 -14.2297 -0.5313 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -13.7007 -3.0914 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -5.2109 -0.7445 0.0000 C 0 0 2.3396 -3.5967 0.0000 C 0 0 -7.8109 -0.7403 0.0000 C 0 0 -6.5121 -1.4924 0.0000 C 0 0 -14.6975 -1.9772 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 11 1 0 6 3 2 0 7 14 1 0 8 3 1 0 9 7 1 0 10 2 2 0 11 15 1 0 12 5 2 0 13 1 1 0 14 15 1 0 15 16 1 0 16 23 1 0 17 12 1 0 18 6 1 0 19 20 1 0 20 9 2 0 21 8 2 0 22 12 1 0 23 26 1 0 24 17 1 0 25 13 1 0 26 25 1 0 27 21 1 0 6 4 1 0 27 18 2 0 5 9 1 0 22 19 2 0 M END > 17002 > J. Med. Chem. 37(12)-1994 1779-1793 > D2 > 6.0458 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 3.5459 0.5703 0.0000 C 0 0 -7.1334 2.2716 0.0000 C 0 0 -5.7521 1.6848 0.0000 N 0 0 2.1694 1.1531 0.0000 C 0 0 2.5789 -0.5703 0.0000 C 0 0 5.0089 0.0248 0.0000 C 0 0 3.5459 2.2565 0.0000 C 0 0 -2.9908 0.5118 0.0000 N 0 0 -7.3183 3.7602 0.0000 N 0 0 -8.3303 1.3673 0.0000 N 0 0 6.1000 0.5703 0.0000 C 0 0 4.8106 2.8516 0.0000 C 0 0 3.7195 0.0000 0.0000 C 0 0 -5.5697 0.1959 0.0000 C 0 0 -4.5539 2.5872 0.0000 C 0 0 2.0215 2.3439 0.0000 O 0 0 5.1825 -0.5703 0.0000 C 0 0 3.7195 1.5374 0.0000 C 0 0 6.1000 2.2565 0.0000 C 0 0 -4.1891 -0.3905 0.0000 C 0 0 -3.1733 2.0008 0.0000 C 0 0 0.9718 0.2485 0.0000 O 0 0 -1.6083 -0.0721 0.0000 C 0 0 -0.4107 0.8325 0.0000 C 0 0 -9.8966 3.4401 0.0000 C 0 0 -9.7118 1.9515 0.0000 C 0 0 -8.6999 4.3444 0.0000 C 0 0 2 3 1 0 3 15 1 0 4 1 1 0 5 1 1 0 6 1 1 0 7 1 1 0 8 23 1 0 9 2 2 0 10 2 1 0 11 6 1 0 12 7 1 0 13 5 1 0 14 20 1 0 15 21 1 0 16 4 2 0 17 11 1 0 18 12 1 0 19 12 1 0 20 8 1 0 21 8 1 0 22 4 1 0 23 24 1 0 24 22 1 0 25 26 1 0 26 10 2 0 27 9 1 0 19 11 1 0 13 18 1 0 13 17 1 0 14 3 1 0 27 25 2 0 M END > 55217 > J. Med. Chem. 42(25)-1999 5077-5094 > D2 > 6.1500 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 0.0186 0.7828 0.0000 C 0 0 -0.8574 -0.4287 0.0000 N 0 0 1.4351 -1.1556 0.0000 N 0 0 1.4351 0.3168 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 0.3168 3.8022 0.0000 N 0 0 -1.9044 8.5104 0.0000 C 0 0 -3.2545 7.8682 0.0000 C 0 0 -2.1037 9.9904 0.0000 O 0 0 -2.3581 -0.4287 0.0000 C 0 0 -4.2770 8.9566 0.0000 O 0 0 -3.5498 10.2716 0.0000 C 0 0 -0.6569 7.6704 0.0000 C 0 0 2.4072 1.0204 0.0000 O 0 0 -0.7837 6.1572 0.0000 C 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 0.4462 5.2971 0.0000 C 0 0 -3.3899 6.3703 0.0000 C 0 0 -2.1345 5.5138 0.0000 C 0 0 -3.1980 -1.6656 0.0000 C 0 0 -3.0072 0.9255 0.0000 C 0 0 -4.5032 1.0356 0.0000 C 0 0 -4.6940 -1.5554 0.0000 C 0 0 -5.3465 -0.2048 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 2 1 0 6 1 1 0 7 1 1 0 8 18 1 0 9 15 1 0 10 21 1 0 11 9 1 0 12 2 1 0 13 10 1 0 14 11 1 0 15 17 2 0 16 4 2 0 17 20 1 0 18 7 1 0 19 6 1 0 20 8 1 0 21 22 2 0 22 17 1 0 23 12 1 0 24 12 2 0 25 24 1 0 26 23 2 0 27 25 2 0 19 8 1 0 5 3 1 0 26 27 1 0 10 9 2 0 13 14 1 0 M END > 89214 > J. Med. Chem. 44(21)-2001 3391-3401 > D2 > 6.2541 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 0.8711 -1.3689 0.0000 S 0 0 2.3161 3.2733 0.0000 N 0 0 2.2245 -0.7311 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 3.7683 5.9013 0.0000 N 0 0 3.8191 3.3037 0.0000 C 0 0 1.5441 4.5585 0.0000 C 0 0 6.8367 8.4683 0.0000 O 0 0 4.4959 7.2139 0.0000 C 0 0 2.2686 5.8720 0.0000 C 0 0 4.5436 4.6171 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 5.9965 7.2411 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 8.2705 8.0277 0.0000 C 0 0 6.8757 6.0416 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 8.2946 6.5279 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 6 1 0 5 1 1 0 6 3 2 0 7 2 1 0 8 7 2 0 9 14 1 0 10 5 1 0 11 5 1 0 12 17 1 0 13 9 1 0 14 11 1 0 15 10 1 0 16 3 1 0 17 13 1 0 18 6 1 0 19 7 1 0 20 8 1 0 21 12 1 0 22 17 1 0 23 16 2 0 24 23 1 0 25 22 1 0 26 27 1 0 27 19 2 0 9 15 1 0 4 8 1 0 24 18 2 0 20 26 2 0 21 25 1 0 M END > 85015 > J. Med. Chem. 44(3)-2001 372-389 > D2 > 6.3799 $$$$ SciTegic07090714462D 27 30 0 0 1 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -9.1011 -2.7161 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -11.7034 -1.5179 0.0000 C 0 0 -10.4039 0.7319 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -13.0020 0.7324 0.0000 C 0 0 -11.7029 1.4821 0.0000 C 0 0 -13.0023 -0.7676 0.0000 C 0 0 -14.0412 1.3325 0.0000 F 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 10 1 0 5 13 1 0 6 7 1 0 7 1 1 0 8 6 1 0 9 4 1 0 10 17 1 0 11 1 2 0 12 4 2 0 6 13 1 1 14 9 2 0 15 9 1 0 16 18 1 0 17 19 1 0 18 5 1 0 19 5 1 0 20 21 1 0 21 15 2 0 22 14 1 0 23 20 1 0 24 3 2 0 25 2 2 0 26 27 2 0 27 25 1 0 3 8 1 0 24 26 1 0 16 10 1 0 22 20 2 0 M END > 138764 > Bioorg. Med. Chem. Lett. 14(3)-2004 585-589 > D2 > 6.4700 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 N 0 0 -10.4041 -0.7684 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -11.7012 -1.5231 0.0000 C 0 0 -7.8109 0.7403 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -11.6987 -3.0232 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -10.3992 -3.7741 0.0000 O 0 0 -6.5121 1.4924 0.0000 C 0 0 -13.0017 -0.7754 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -12.9965 -3.7754 0.0000 C 0 0 -10.3989 -4.9741 0.0000 C 0 0 -14.2994 -1.5277 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -14.2968 -3.0277 0.0000 C 0 0 2 9 1 0 3 1 2 0 4 1 1 0 5 8 1 0 6 2 1 0 7 18 1 0 8 4 2 0 9 15 1 0 10 14 1 0 11 6 1 0 12 3 1 0 13 3 1 0 14 7 1 0 15 7 1 0 16 13 1 0 17 11 1 0 18 16 1 0 19 6 2 0 20 4 1 0 21 8 1 0 22 11 2 0 23 17 1 0 24 19 1 0 25 20 2 0 26 25 1 0 27 24 2 0 12 5 1 0 21 26 2 0 10 2 1 0 22 27 1 0 M END > 48464 > J. Med. Chem. 41(24)-1998 4903-4909 > D2 > 6.5528 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 2.6889 10.6055 0.0000 C 0 0 3.4832 9.3777 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 3.6312 11.7640 0.0000 C 0 0 5.0236 11.2197 0.0000 C 0 0 4.9303 9.7292 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 1.4907 10.6707 0.0000 O 0 0 2.9261 7.9841 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 3.3894 13.2485 0.0000 C 0 0 6.2081 12.1465 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 4.5805 14.1922 0.0000 C 0 0 5.9729 13.6479 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 14 1 0 5 1 1 0 6 1 1 0 7 2 1 0 8 3 1 0 9 10 1 0 10 4 1 0 11 5 2 0 12 19 1 0 13 3 2 0 14 17 1 0 15 6 1 0 16 6 1 0 17 12 1 0 18 15 1 0 19 16 1 0 20 5 1 0 21 8 2 0 22 9 2 0 23 11 1 0 24 20 2 0 25 21 1 0 26 22 1 0 27 24 1 0 7 11 1 0 12 18 1 0 23 27 2 0 8 9 1 0 25 26 2 0 M END > 28127 > J. Med. Chem. 39(1)-1996 149-157 > D2 > 6.5686 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 9.3512 -1.2122 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 10.8519 -1.1951 0.0000 C 0 0 6.3513 -1.2462 0.0000 N 0 0 2.0825 2.3453 0.0000 O 0 0 2.0907 -2.3426 0.0000 O 0 0 8.6160 -2.5196 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 11.5893 0.1112 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 7.1161 -2.5366 0.0000 C 0 0 7.0866 0.0613 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 10.8289 1.4051 0.0000 O 0 0 11.6146 -2.4868 0.0000 C 0 0 13.0892 0.1258 0.0000 C 0 0 11.4203 2.4493 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 13.1145 -2.4722 0.0000 C 0 0 13.8518 -1.1659 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 13 1 0 7 1 1 0 8 6 1 0 9 15 1 0 10 2 2 0 11 3 2 0 12 16 1 0 13 17 1 0 14 8 2 0 15 7 1 0 16 9 1 0 17 9 1 0 18 4 1 0 19 5 1 0 20 14 1 0 21 8 1 0 22 14 1 0 23 20 1 0 24 18 1 0 25 19 1 0 26 21 2 0 27 26 1 0 4 5 1 0 25 24 1 0 12 6 1 0 22 27 2 0 M END > 33974 > J. Med. Chem. 39(22)-1996 4439-4450 > D2 > 6.6091 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -10.1363 3.6856 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 -6.2216 1.4644 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -11.4298 2.9245 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -8.8299 2.9467 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -10.1465 4.8855 0.0000 O 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -12.7365 3.6610 0.0000 C 0 0 -11.4145 1.4245 0.0000 C 0 0 -8.8197 1.4467 0.0000 C 0 0 -7.5360 3.7055 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -7.5156 0.7056 0.0000 C 0 0 -6.2319 2.9644 0.0000 C 0 0 -14.0124 1.3978 0.0000 C 0 0 -12.7057 0.6612 0.0000 C 0 0 -14.0278 2.8977 0.0000 C 0 0 -15.0454 0.7872 0.0000 F 0 0 2 1 1 0 3 1 2 0 4 12 1 0 5 3 1 0 6 21 1 0 7 1 1 0 8 7 2 0 9 2 1 0 10 4 1 0 11 2 2 0 12 20 1 0 13 3 1 0 14 4 2 0 15 13 1 0 16 9 1 0 17 10 2 0 18 10 1 0 19 22 1 0 20 23 1 0 21 16 1 0 22 6 1 0 23 6 1 0 24 25 1 0 25 18 2 0 26 17 1 0 27 24 1 0 5 8 1 0 9 15 1 0 19 12 1 0 26 24 2 0 M END > 52724 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 6.6800 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -3.8056 3.8679 0.0000 N 0 0 -3.3372 5.2929 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.5939 7.8779 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -4.3439 9.1623 0.0000 C 0 0 -1.8372 5.2877 0.0000 C 0 0 -1.3786 3.8595 0.0000 C 0 0 -4.2111 6.5099 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -5.5371 9.2889 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.1336 8.1597 0.0000 C 0 0 -4.9460 3.4943 0.0000 C 0 0 -3.3324 10.2700 0.0000 C 0 0 -1.9664 9.6503 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 3.9010 0.4475 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 14 1 0 6 4 1 0 7 2 2 0 8 3 2 0 9 2 1 0 10 12 1 0 11 5 1 0 12 3 1 0 13 17 1 0 14 18 1 0 15 6 2 0 16 11 2 0 17 10 1 0 18 10 1 0 19 4 1 0 20 1 1 0 21 6 1 0 22 19 1 0 23 11 1 0 24 16 1 0 25 16 1 0 26 23 2 0 27 26 1 0 7 8 1 0 5 13 1 0 21 22 1 0 27 25 2 0 M END > 6848 > J. Med. Chem. 35(3)-1992 552-558 > D2 > 6.7773 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -1.2907 2.9981 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -6.4720 7.5180 0.0000 N 0 0 -2.6111 0.7486 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.5812 5.2552 0.0000 N 0 0 -3.6288 3.1588 0.0000 O 0 0 -7.7683 8.2743 0.0000 C 0 0 -3.8739 7.5115 0.0000 C 0 0 -5.1785 5.2648 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -6.4757 6.0180 0.0000 C 0 0 -5.1711 8.2648 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.7624 9.7751 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.0570 10.5329 0.0000 C 0 0 -6.4589 10.5175 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -6.4500 12.0175 0.0000 C 0 0 -9.0480 12.0329 0.0000 C 0 0 -7.7446 12.7752 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 13 1 0 5 2 1 0 6 2 2 0 7 3 1 0 8 3 2 0 9 4 1 0 10 12 1 0 11 12 1 0 12 7 1 0 13 11 1 0 14 10 1 0 15 6 1 0 16 5 2 0 17 9 1 0 18 6 1 0 19 15 2 0 20 15 1 0 21 17 2 0 22 17 1 0 23 18 2 0 24 23 1 0 25 22 2 0 26 21 1 0 27 25 1 0 19 16 1 0 14 4 1 0 20 24 2 0 26 27 2 0 M END > 52628 > J. Med. Chem. 42(14)-1999 2706-2715 > D2 > 6.8239 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 8.5244 5.2803 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 9.9937 5.5857 0.0000 C 0 0 5.5870 4.6698 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 8.0544 3.8558 0.0000 C 0 0 7.5257 6.3996 0.0000 C 0 0 10.9943 4.4681 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 6.0571 6.0943 0.0000 C 0 0 6.5858 3.5506 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 10.5293 3.0411 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 10.4615 7.0110 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 12.4624 4.7757 0.0000 C 0 0 11.3310 2.1482 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 11.9296 7.3186 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 12.9301 6.2009 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 11 1 0 5 1 1 0 6 4 1 0 7 14 1 0 8 5 1 0 9 1 1 0 10 9 1 0 11 16 1 0 12 15 1 0 13 6 1 0 14 10 1 0 15 7 1 0 16 7 1 0 17 9 1 0 18 13 1 0 19 5 2 0 20 6 2 0 21 8 2 0 22 13 2 0 23 18 1 0 24 19 1 0 25 20 1 0 26 24 2 0 27 25 2 0 3 8 1 0 26 21 1 0 4 12 1 0 27 22 1 0 M END > 85091 > J. Med. Chem. 44(3)-2001 418-428 > D2 > 6.8239 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -1.2919 2.9980 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -3.8808 10.5036 0.0000 C 0 0 -1.2844 5.9982 0.0000 N 0 0 -2.5891 3.7515 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -4.9205 9.9045 0.0000 O 0 0 -3.8800 12.0044 0.0000 C 0 0 -2.5818 9.7518 0.0000 N 0 0 0.0127 5.2449 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 -2.5826 8.2509 0.0000 C 0 0 -1.2837 7.4991 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -5.1772 12.7578 0.0000 C 0 0 -2.5791 12.7513 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -2.5753 14.2513 0.0000 C 0 0 -5.1734 14.2578 0.0000 C 0 0 -3.8725 15.0045 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 11 1 0 5 12 1 0 6 1 1 0 7 1 1 0 8 3 2 0 9 4 2 0 10 4 1 0 11 14 1 0 12 7 1 0 13 6 1 0 14 15 1 0 15 5 1 0 16 2 1 0 17 3 1 0 18 16 1 0 19 18 1 0 20 8 1 0 21 10 2 0 22 10 1 0 23 17 2 0 24 23 1 0 25 22 2 0 26 21 1 0 27 25 1 0 5 13 1 0 19 8 1 0 24 20 2 0 27 26 2 0 M END > 36039 > J. Med. Chem. 40(6)-1997 952-960 > D2 > 6.8861 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 10.8520 -1.1982 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 6.3513 -1.2462 0.0000 N 0 0 11.6153 -2.4905 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 9.3512 -1.2122 0.0000 C 0 0 11.4420 -0.1533 0.0000 O 0 0 4.0872 0.0320 0.0000 C 0 0 13.1152 -2.4787 0.0000 C 0 0 10.8756 -3.7955 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 7.1161 -2.5367 0.0000 C 0 0 7.0866 0.0613 0.0000 C 0 0 13.1357 -5.0767 0.0000 C 0 0 13.8755 -3.7718 0.0000 C 0 0 11.6358 -5.0885 0.0000 C 0 0 13.7439 -6.1112 0.0000 F 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 10 1 0 6 3 1 0 7 17 1 0 8 5 1 0 9 1 2 0 10 16 1 0 11 5 2 0 12 3 1 0 13 8 1 0 14 8 2 0 15 18 1 0 16 19 1 0 17 12 1 0 18 7 1 0 19 7 1 0 20 22 2 0 21 13 2 0 22 14 1 0 23 20 1 0 24 2 1 0 25 4 1 0 26 24 2 0 27 26 1 0 6 4 1 0 25 27 2 0 15 10 1 0 20 21 1 0 M END > 18376 > J. Med. Chem. 37(16)-1994 2564-2573 > D2 > 7.1500 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 -8.9141 -3.0488 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -10.1430 -0.9624 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -10.3524 -3.3674 0.0000 O 0 0 -11.1252 -2.0895 0.0000 C 0 0 1.7138 1.2033 0.0000 S 0 0 -4.9153 0.7255 0.0000 N 0 0 -10.6160 0.4653 0.0000 C 0 0 -12.6042 -1.8165 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -7.4980 -0.8010 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6217 1.4865 0.0000 C 0 0 -13.0908 -0.3768 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -12.1087 0.7504 0.0000 C 0 0 -14.2680 -0.1439 0.0000 F 0 0 2 6 1 0 3 1 2 0 4 13 1 0 5 3 1 0 6 17 1 0 7 1 1 0 8 7 1 0 9 4 1 0 10 25 1 0 11 5 2 0 12 8 2 0 13 14 1 0 14 20 1 0 15 2 1 0 16 9 1 0 17 14 1 0 18 3 1 0 19 6 2 0 20 10 1 0 21 12 1 0 22 18 1 0 23 18 1 0 24 22 1 0 25 23 1 0 26 11 1 0 27 21 1 0 5 8 1 0 24 10 1 0 21 26 2 0 4 2 2 0 15 16 2 0 M END > 52731 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 7.2600 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -9.1101 2.9927 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -10.4097 3.7432 0.0000 C 0 0 -6.5121 1.4924 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -10.4121 5.2433 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -9.1150 5.9984 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -11.7078 2.9913 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -11.7122 5.9913 0.0000 C 0 0 -9.1186 7.1984 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -13.0079 3.7394 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -13.0101 5.2394 0.0000 C 0 0 2 10 1 0 3 1 1 0 4 2 1 0 5 15 1 0 6 1 1 0 7 3 2 0 8 1 2 0 9 16 1 0 10 17 1 0 11 4 1 0 12 13 1 0 13 6 1 0 14 6 1 0 15 14 1 0 16 5 1 0 17 5 1 0 18 11 1 0 19 3 1 0 20 4 2 0 21 7 1 0 22 11 2 0 23 18 1 0 24 19 2 0 25 20 1 0 26 24 1 0 27 25 2 0 7 12 1 0 26 21 2 0 2 9 1 0 22 27 1 0 M END > 52741 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 7.6400 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 3.7848 -11.7662 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 5.1463 -11.1734 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.7874 -10.6247 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 3.5844 -9.3558 0.0000 C 0 0 6.1217 -12.2967 0.0000 S 0 0 5.0257 -9.6665 0.0000 C 0 0 3.3443 -5.3916 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 3.8835 -13.2549 0.0000 C 0 0 5.3714 -13.5814 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 1.5911 -10.7190 0.0000 O 0 0 3.0085 -7.9698 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.9201 -6.7775 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 F 0 0 2 4 2 0 3 1 2 0 4 17 1 0 5 4 1 0 6 1 1 0 7 2 1 0 8 5 2 0 9 6 1 0 10 3 1 0 11 3 1 0 12 23 1 0 13 5 1 0 14 8 1 0 15 1 1 0 16 15 2 0 17 22 1 0 18 6 2 0 19 9 1 0 20 26 1 0 21 24 1 0 22 25 1 0 23 19 1 0 24 12 1 0 25 12 1 0 26 13 2 0 27 20 1 0 16 10 1 0 11 9 1 0 21 17 1 0 8 7 1 0 20 14 2 0 M END > 52722 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 7.7000 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 14.3039 1.4802 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 13.0067 0.7330 0.0000 C 0 0 15.5995 0.7301 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 14.3056 2.9775 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 13.0100 3.7276 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 11.6941 1.4828 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 11.6945 2.9804 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 7.7928 0.7396 0.0000 C 0 0 10.3928 0.7351 0.0000 O 0 0 16.8968 1.4773 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 15.6028 3.7247 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 16.8984 2.9746 0.0000 C 0 0 2 1 1 0 3 5 2 0 4 1 2 0 5 13 1 0 6 3 1 0 7 1 1 0 8 11 2 0 9 7 2 0 10 7 1 0 11 16 1 0 12 4 1 0 13 21 1 0 14 2 1 0 15 9 1 0 16 13 2 0 17 24 1 0 18 10 1 0 19 12 1 0 20 23 1 0 21 26 1 0 22 6 1 0 23 17 1 0 24 14 1 0 25 8 1 0 26 20 1 0 27 25 1 0 18 14 1 0 12 15 2 0 8 3 1 0 27 22 1 0 M END > 40303 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.8729 $$$$ SciTegic07090714462D 27 31 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 3.5423 14.3351 0.0000 C 0 0 4.8712 13.6336 0.0000 N 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 2.4868 13.3074 0.0000 O 0 0 3.1311 11.9602 0.0000 C 0 0 4.6123 12.1628 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 3.3711 15.5228 0.0000 O 0 0 2.5479 10.5739 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 5.5465 10.9841 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 4.9657 9.5797 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 8 1 0 5 10 1 0 6 1 1 0 7 2 1 0 8 9 1 0 9 14 2 0 10 17 2 0 11 3 2 0 12 19 1 0 13 4 2 0 14 21 1 0 15 6 1 0 16 6 1 0 17 23 1 0 18 15 1 0 19 16 1 0 20 12 1 0 21 24 1 0 22 3 1 0 23 21 2 0 24 20 1 0 25 11 1 0 26 22 2 0 27 26 1 0 7 11 1 0 18 12 1 0 27 25 2 0 9 10 1 0 5 4 1 0 M END > 28104 > J. Med. Chem. 39(1)-1996 143-148 > D2 > 8.2000 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 S 0 0 1.7138 -1.2033 0.0000 N 0 0 -10.0978 -0.8233 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -11.3897 -1.5870 0.0000 C 0 0 -7.5151 0.7033 0.0000 N 0 0 3.7889 0.0269 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -10.1132 0.6766 0.0000 C 0 0 -8.7911 -1.5600 0.0000 C 0 0 -11.3768 -3.0870 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -8.8219 1.4399 0.0000 C 0 0 -7.4999 -0.7967 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -10.0722 -3.8288 0.0000 O 0 0 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -12.6953 -0.8483 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -12.6693 -3.8482 0.0000 C 0 0 -10.0636 -5.0288 0.0000 C 0 0 -13.9878 -1.6095 0.0000 C 0 0 -13.9748 -3.1094 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 12 1 0 5 2 1 0 6 3 1 0 7 4 1 0 8 20 1 0 9 1 2 0 10 5 1 0 11 15 1 0 12 16 1 0 13 7 1 0 14 6 1 0 15 8 1 0 16 8 1 0 17 10 2 0 18 14 2 0 19 13 1 0 20 21 1 0 21 23 1 0 22 7 2 0 23 17 1 0 24 13 2 0 25 19 1 0 26 22 1 0 27 26 2 0 6 5 2 0 18 17 1 0 4 11 1 0 24 27 1 0 M END > 43889 > J. Med. Chem. 41(12)-1988 2010-2018 > D2 > 8.2218 $$$$ SciTegic07090714462D 27 30 0 0 0 0 999 V2000 -0.9982 3.0140 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -3.5309 10.5382 0.0000 C 0 0 -0.9680 6.0137 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 -3.5190 12.0390 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -2.2894 3.7767 0.0000 C 0 0 0.3086 3.7509 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -4.5750 9.9468 0.0000 O 0 0 -2.2376 9.7767 0.0000 N 0 0 -4.8105 12.8020 0.0000 C 0 0 -2.2126 12.7761 0.0000 C 0 0 -2.2745 5.2767 0.0000 C 0 0 0.3235 5.2508 0.0000 C 0 0 -3.4892 15.0389 0.0000 C 0 0 -2.1977 14.2761 0.0000 C 0 0 -4.7956 14.3019 0.0000 C 0 0 -3.4772 16.2389 0.0000 F 0 0 -2.2494 8.2760 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -0.9561 7.5145 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 14 1 0 5 18 1 0 6 2 1 0 7 6 1 0 8 4 1 0 9 2 2 0 10 1 1 0 11 1 1 0 12 9 1 0 13 4 2 0 14 23 1 0 15 8 1 0 16 8 2 0 17 10 1 0 18 11 1 0 19 20 2 0 20 16 1 0 21 15 2 0 22 19 1 0 23 25 1 0 24 3 2 0 25 5 1 0 26 24 1 0 27 26 2 0 17 5 1 0 9 27 1 0 7 12 2 0 21 19 1 0 M END > 35283 > J. Med. Chem. 40(3)-1997 300-312 > D2 > 8.2757 $$$$ SciTegic07090714462D 27 29 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 -1.3515 1.0777 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 2.0773 -1.8066 0.0000 C 0 0 -6.4962 1.8451 0.0000 C 0 0 -7.6715 2.7784 0.0000 C 0 0 -6.6730 0.6582 0.0000 O 0 0 0.0000 1.7286 0.0000 C 0 0 1.0244 -2.8749 0.0000 C 0 0 3.5290 -2.1843 0.0000 C 0 0 -9.0679 2.2305 0.0000 C 0 0 -7.4480 4.2617 0.0000 C 0 0 2.4746 0.5192 0.0000 O 0 0 2.8748 -4.6987 0.0000 C 0 0 -10.0171 4.6489 0.0000 C 0 0 1.4231 -4.3210 0.0000 C 0 0 -8.6208 5.1970 0.0000 C 0 0 3.9277 -3.6303 0.0000 C 0 0 -10.2406 3.1657 0.0000 C 0 0 -10.9553 5.3971 0.0000 F 0 0 3.1938 -5.8555 0.0000 Cl 0 0 -2.5283 2.0123 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -3.9246 1.4620 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -5.0999 2.3954 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 1 1 0 5 27 1 0 6 5 1 0 7 5 2 0 8 3 1 0 9 4 1 0 10 4 2 0 11 6 2 0 12 6 1 0 13 1 1 0 14 18 2 0 15 17 1 0 16 9 2 0 17 12 2 0 18 10 1 0 19 11 1 0 20 15 1 0 21 14 1 0 22 2 1 0 23 26 1 0 24 1 1 0 25 22 1 0 26 24 1 0 27 25 1 0 23 2 1 0 16 14 1 0 15 19 2 0 M END > 126502 > J. Med. Chem. 47(3)-2004 497-508 > D2 > 8.9600 $$$$ SciTegic07090714462D 27 29 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 5.4984 -5.5497 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 4.0312 -5.2378 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.2447 -3.1359 0.0000 C 0 0 6.2484 -4.2507 0.0000 C 0 0 6.1107 -6.9172 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 2.5972 1.5031 0.0000 O 0 0 7.6035 -7.0719 0.0000 C 0 0 3.1347 -6.0355 0.0000 C 0 0 -2.5956 2.7031 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 8.2184 -8.4401 0.0000 C 0 0 8.4810 -5.8553 0.0000 C 0 0 9.9734 -6.0069 0.0000 C 0 0 9.7108 -8.5917 0.0000 C 0 0 10.5882 -7.3751 0.0000 C 0 0 2 1 1 0 3 9 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 1 8 5 2 0 9 7 1 0 10 6 1 0 11 10 2 0 12 7 1 0 13 12 1 0 14 3 1 0 15 2 2 0 16 11 1 0 17 10 1 0 18 5 1 0 19 14 1 0 9 20 1 1 21 16 1 0 22 18 1 0 23 19 2 0 24 19 1 0 25 24 2 0 26 23 1 0 27 25 1 0 11 8 1 0 13 3 1 0 26 27 2 0 M END > 10116 > J. Med. Chem. 35(13)-1992 2355-2363 > D2 > 9.3098 $$$$ SciTegic07090714462D 28 30 0 0 0 0 999 V2000 -6.2216 1.4644 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -7.5687 0.8342 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -6.3695 2.9443 0.0000 C 0 0 -8.5800 1.9420 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 -7.8388 3.2461 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -7.8033 -0.3427 0.0000 O 0 0 -5.4784 3.7480 0.0000 O 0 0 4.6772 1.0770 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 4.1182 4.3614 0.0000 N 0 0 4.8506 -1.2602 0.0000 O 0 0 -2.3155 -0.7475 0.0000 C 0 0 5.2926 4.6080 0.0000 C 0 0 3.3178 5.2555 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 6.9616 -2.2794 0.0000 C 0 0 2 3 2 0 3 6 1 0 4 7 1 0 5 1 1 0 6 14 2 0 7 18 2 0 8 1 1 0 9 5 1 0 10 2 1 0 11 1 1 0 12 3 1 0 13 8 1 0 14 20 1 0 15 5 2 0 16 8 2 0 17 10 2 0 18 24 1 0 19 12 1 0 20 21 1 0 21 11 1 0 22 19 1 0 23 10 1 0 24 20 2 0 25 22 1 0 26 22 1 0 27 23 1 0 28 27 1 0 13 9 1 0 7 6 1 0 2 4 1 0 M END > 145300 > J. Med. Chem. 40(15)-1997 2347-2362 > D2 > 4.9700 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -10.5407 9.7399 0.0000 C 0 0 -10.4018 8.2591 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.9086 1.5029 0.0000 N 0 0 -12.7573 8.7511 0.0000 S 0 0 -12.0082 10.0507 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -11.7528 7.6371 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5078 3.0010 0.0000 N 0 0 -9.6448 10.5381 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -9.1031 7.5069 0.0000 C 0 0 -7.8065 3.7531 0.0000 C 0 0 -11.2890 11.0113 0.0000 C 0 0 -13.2034 10.1576 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1042 6.0061 0.0000 C 0 0 -7.8054 5.2540 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 14 1 0 5 6 1 0 6 1 1 0 7 3 2 0 8 2 1 0 9 3 1 0 10 20 1 0 11 1 2 0 12 9 2 0 13 7 1 0 14 18 1 0 15 17 1 0 16 12 1 0 17 10 1 0 18 10 1 0 19 2 1 0 20 26 1 0 21 6 1 0 22 6 1 0 23 12 1 0 24 16 1 0 25 19 1 0 26 25 1 0 27 23 2 0 28 27 1 0 8 5 1 0 15 4 1 0 13 16 2 0 24 28 2 0 M END > 33361 > J. Med. Chem. 39(20)-1996 4044-4057 > D2 > 5.0742 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 3.9073 7.4969 0.0000 N 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 5.2064 9.7470 0.0000 C 0 0 2.6083 9.7470 0.0000 C 0 0 5.2064 8.2470 0.0000 C 0 0 2.6083 8.2470 0.0000 C 0 0 3.9074 10.4970 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 3.9042 5.9961 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 3.9074 11.6970 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 4 1 0 6 2 2 0 7 18 1 0 8 1 2 0 9 2 1 0 10 4 1 0 11 13 1 0 12 14 1 0 13 7 1 0 14 7 1 0 15 12 1 0 16 6 1 0 17 9 1 0 18 19 1 0 19 23 1 0 20 15 1 0 21 22 1 0 22 9 2 0 23 17 1 0 24 10 2 0 25 10 1 0 26 25 2 0 27 24 1 0 28 26 1 0 5 6 1 0 21 16 2 0 28 27 2 0 15 11 1 0 M END > 8394 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.0757 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 4.1182 4.3614 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 5.0484 7.2137 0.0000 N 0 0 1.3808 3.5211 0.0000 O 0 0 5.5166 8.6396 0.0000 C 0 0 5.5858 4.6718 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 6.0509 6.0979 0.0000 C 0 0 8.3839 13.2261 0.0000 C 0 0 7.4537 10.3739 0.0000 C 0 0 8.7560 14.3670 0.0000 Cl 0 0 6.9854 8.9480 0.0000 C 0 0 9.3864 12.1103 0.0000 C 0 0 6.9163 12.9159 0.0000 C 0 0 8.9213 10.6842 0.0000 C 0 0 6.4512 11.4898 0.0000 C 0 0 3.7889 0.0269 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 4 1 0 6 3 1 0 7 8 1 0 8 2 1 0 9 14 1 0 10 2 2 0 11 9 1 0 12 7 1 0 13 7 1 0 14 13 1 0 15 12 1 0 16 21 2 0 17 19 1 0 18 16 1 0 19 11 1 0 20 22 2 0 21 23 1 0 22 17 1 0 23 17 2 0 24 3 1 0 25 4 2 0 26 5 2 0 27 25 1 0 28 27 2 0 5 6 1 0 28 26 1 0 9 15 1 0 16 20 1 0 M END > 82359 > Bioorg. Med. Chem. Lett. 12(21)-2002 3105-3109 > D2 > 5.2801 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -10.4109 -0.7361 0.0000 N 0 0 -11.7404 -1.3452 0.0000 C 0 0 -10.5504 0.7466 0.0000 C 0 0 -12.7511 -0.2459 0.0000 C 0 0 -12.0118 1.0536 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -11.9775 -2.5216 0.0000 O 0 0 -9.6551 1.5457 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1121 -1.4882 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 -1.4966 0.0000 N 0 0 -12.7583 2.3593 0.0000 C 0 0 -14.2548 -0.2713 0.0000 C 0 0 1.2995 -2.9981 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -5.2109 -0.7445 0.0000 C 0 0 2.3396 -3.5967 0.0000 C 0 0 -7.8109 -0.7403 0.0000 C 0 0 -6.5121 -1.4924 0.0000 C 0 0 -15.0172 1.0433 0.0000 C 0 0 -14.2779 2.3428 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 11 1 0 7 14 1 0 8 7 1 0 9 2 2 0 10 3 2 0 11 15 1 0 12 6 2 0 13 1 1 0 14 15 1 0 15 16 1 0 16 23 1 0 17 5 1 0 18 4 1 0 19 12 1 0 20 21 1 0 21 8 2 0 22 12 1 0 23 26 1 0 24 19 1 0 25 13 1 0 26 25 1 0 27 18 2 0 28 17 2 0 5 4 2 0 28 27 1 0 6 8 1 0 22 20 2 0 M END > 17001 > J. Med. Chem. 37(12)-1994 1779-1793 > D2 > 5.3010 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 0.3168 3.8022 0.0000 N 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -1.3597 14.4913 0.0000 C 0 0 -1.4917 12.9964 0.0000 N 0 0 0.0186 0.7828 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 -1.7556 10.0079 0.0000 N 0 0 -0.0007 15.1264 0.0000 N 0 0 -2.5890 15.3508 0.0000 N 0 0 -2.0023 3.8835 0.0000 O 0 0 2.6644 3.3712 0.0000 O 0 0 -0.2637 12.1350 0.0000 C 0 0 -2.8517 12.3635 0.0000 C 0 0 -2.9836 10.8694 0.0000 C 0 0 -0.3956 10.6408 0.0000 C 0 0 0.4462 5.2971 0.0000 C 0 0 -1.1005 17.4802 0.0000 C 0 0 -1.8846 8.5126 0.0000 C 0 0 0.1289 16.6208 0.0000 C 0 0 -2.4595 16.8452 0.0000 C 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 1.4351 -1.1556 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 14 1 0 6 7 1 0 7 3 1 0 8 2 1 0 9 20 1 0 10 4 2 0 11 4 1 0 12 3 2 0 13 2 2 0 14 17 1 0 15 16 1 0 16 9 1 0 17 9 1 0 18 1 1 0 19 22 1 0 20 26 1 0 21 10 1 0 22 11 2 0 23 6 1 0 24 6 1 0 25 18 1 0 26 25 1 0 27 23 1 0 28 24 1 0 6 8 1 0 27 28 1 0 15 5 1 0 19 21 2 0 M END > 33831 > J. Med. Chem. 39(21)-1996 4285-4298 > D2 > 5.3979 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 6.4832 -6.0096 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 7.7823 -8.2596 0.0000 C 0 0 9.0814 -6.0096 0.0000 C 0 0 6.4833 -7.5096 0.0000 C 0 0 7.7824 -5.2596 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 9.0814 -7.5096 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 10.1206 -8.1097 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 6 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 19 1 0 8 3 1 0 9 1 1 0 10 4 2 0 11 6 1 0 12 14 1 0 13 15 1 0 14 7 1 0 15 7 1 0 16 18 1 0 17 13 1 0 18 11 2 0 19 20 1 0 20 23 1 0 21 17 1 0 22 16 1 0 23 22 1 0 24 9 1 0 25 9 2 0 26 25 1 0 27 24 2 0 28 26 2 0 3 4 1 0 27 28 1 0 8 16 2 0 17 12 1 0 M END > 8408 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.4685 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.0553 6.0958 0.0000 N 0 0 -4.6560 0.8780 0.0000 O 0 0 -2.3155 -0.7475 0.0000 C 0 0 6.9854 8.9480 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 5.5178 8.6377 0.0000 C 0 0 7.9879 7.8322 0.0000 C 0 0 7.4507 10.3748 0.0000 C 0 0 7.5228 6.4061 0.0000 C 0 0 5.0528 7.2117 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 5.5870 4.6698 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 8.9178 10.6876 0.0000 C 0 0 6.4465 11.4891 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 6.9093 12.9160 0.0000 C 0 0 9.3806 12.1144 0.0000 C 0 0 8.3763 13.2286 0.0000 C 0 0 2 8 1 0 3 1 2 0 4 5 2 0 5 1 1 0 6 3 1 0 7 6 1 0 8 1 1 0 9 20 1 0 10 7 2 0 11 13 1 0 12 14 1 0 13 8 2 0 14 18 1 0 15 17 1 0 16 12 1 0 17 9 1 0 18 9 1 0 19 7 1 0 20 24 1 0 21 5 1 0 22 16 1 0 23 16 2 0 24 25 1 0 25 21 1 0 26 23 1 0 27 22 2 0 28 26 2 0 4 2 1 0 11 6 2 0 12 15 1 0 28 27 1 0 M END > 132125 > J. Med. Chem. 47(19)-2004 4677-4683 > D2 > 6.0000 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 S 0 0 1.7138 -1.2033 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 3.1809 -1.0256 0.0000 O 0 0 3.1659 1.0704 0.0000 O 0 0 -1.3629 -8.5202 0.0000 N 0 0 0.6434 -6.2896 0.0000 N 0 0 -2.3642 -9.6381 0.0000 C 0 0 2.1796 -2.6273 0.0000 C 0 0 0.1045 -8.8312 0.0000 C 0 0 -1.8272 -7.0938 0.0000 C 0 0 1.1076 -7.7160 0.0000 C 0 0 -0.8241 -5.9786 0.0000 C 0 0 1.1782 -3.7452 0.0000 C 0 0 -1.8976 -11.0646 0.0000 C 0 0 -0.9591 -13.9141 0.0000 C 0 0 1.6448 -5.1717 0.0000 C 0 0 -0.5838 -15.0539 0.0000 Cl 0 0 -2.4276 -13.6081 0.0000 C 0 0 0.0401 -12.7954 0.0000 C 0 0 -2.8968 -12.1834 0.0000 C 0 0 -0.4291 -11.3706 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 1 2 0 7 1 2 0 8 13 1 0 9 19 1 0 10 8 1 0 11 2 1 0 12 14 1 0 13 15 1 0 14 9 1 0 15 9 1 0 16 11 1 0 17 10 1 0 18 22 2 0 19 16 1 0 20 18 1 0 21 23 2 0 22 24 1 0 23 17 1 0 24 17 2 0 25 5 2 0 26 4 2 0 27 25 1 0 28 26 1 0 4 5 1 0 28 27 2 0 8 12 1 0 18 21 1 0 M END > 82347 > Bioorg. Med. Chem. Lett. 12(21)-2002 3105-3109 > D2 > 6.0092 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 8.9683 -8.3104 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 6.4832 -6.0096 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 7.4850 -8.5339 0.0000 C 0 0 9.8137 -9.5504 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 6.3855 -7.5136 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 9.1704 -5.6151 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 9.7183 -7.0114 0.0000 C 0 0 7.7370 -5.1729 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 9.0937 -10.8708 0.0000 C 0 0 11.3124 -9.5191 0.0000 C 0 0 12.0929 -10.8000 0.0000 C 0 0 9.8742 -12.1518 0.0000 C 0 0 11.3737 -12.1164 0.0000 C 0 0 2 1 1 0 3 11 1 0 4 1 1 0 5 2 2 0 6 4 1 0 7 2 1 0 8 20 1 0 9 1 2 0 10 6 2 0 11 14 1 0 12 3 1 0 13 4 2 0 14 8 1 0 15 17 2 0 16 19 1 0 17 9 1 0 18 16 1 0 19 8 1 0 20 21 1 0 21 23 1 0 22 15 1 0 23 22 1 0 24 12 2 0 25 12 1 0 26 25 2 0 27 24 1 0 28 26 1 0 15 5 1 0 10 7 1 0 3 18 1 0 28 27 2 0 M END > 83396 > J. Med. Chem. 34(1)-1991 248-256 > D2 > 6.0535 $$$$ SciTegic07090714462D 28 32 0 0 0 0 999 V2000 -2.5545 9.7560 0.0000 C 0 0 -3.7504 10.5990 0.0000 N 0 0 -1.2964 1.4973 0.0000 N 0 0 -1.3402 10.6045 0.0000 C 0 0 -2.5634 8.2553 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.2892 12.0291 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -1.7959 12.0284 0.0000 C 0 0 -2.5812 5.2552 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2688 7.4976 0.0000 C 0 0 -3.8669 7.5130 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.8757 6.0130 0.0000 C 0 0 -1.2777 5.9976 0.0000 C 0 0 0.1260 10.2697 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -0.7964 13.1522 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.1429 11.3991 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 0.6873 12.8230 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 2 0 3 9 1 0 4 1 1 0 5 1 1 0 6 3 1 0 7 2 1 0 8 3 1 0 9 17 1 0 10 4 1 0 11 19 1 0 12 8 2 0 13 5 1 0 14 5 1 0 15 6 1 0 16 6 2 0 17 11 1 0 18 12 1 0 19 14 1 0 20 13 1 0 21 4 2 0 22 8 1 0 23 10 2 0 24 12 1 0 25 21 1 0 26 22 2 0 27 25 2 0 28 26 1 0 7 10 1 0 20 11 1 0 23 27 1 0 18 15 1 0 24 28 2 0 M END > 121541 > Eur. J. Med. Chem. 37(9)-2002 721-730 > D2 > 6.1053 $$$$ SciTegic07090714462D 28 32 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 2.9715 11.9596 0.0000 C 0 0 2.5557 10.5575 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 1.7407 12.8053 0.0000 C 0 0 0.5583 11.8904 0.0000 C 0 0 1.0682 10.4867 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 4.1027 12.3600 0.0000 O 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 1.5541 14.2977 0.0000 C 0 0 -0.8395 12.4455 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 0.1451 14.8672 0.0000 C 0 0 -1.0373 13.9523 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 18 1 0 5 1 1 0 6 1 1 0 7 2 1 0 8 3 1 0 9 10 1 0 10 4 1 0 11 5 2 0 12 17 1 0 13 3 2 0 14 6 1 0 15 6 1 0 16 14 1 0 17 15 1 0 18 19 1 0 19 21 1 0 20 5 1 0 21 12 1 0 22 8 2 0 23 9 2 0 24 11 1 0 25 20 2 0 26 22 1 0 27 23 1 0 28 25 1 0 7 11 1 0 12 16 1 0 24 28 2 0 8 9 1 0 26 27 2 0 M END > 28128 > J. Med. Chem. 39(1)-1996 149-157 > D2 > 6.1549 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 11.6153 -2.4904 0.0000 N 0 0 8.6154 -2.5245 0.0000 N 0 0 2.0825 2.3453 0.0000 O 0 0 13.1159 -2.4734 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 10.8506 -1.2000 0.0000 C 0 0 10.8801 -3.7979 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 13.8533 -1.1671 0.0000 C 0 0 13.8787 -3.7650 0.0000 C 0 0 9.3802 -3.8149 0.0000 C 0 0 9.3507 -1.2170 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 16.1159 -2.4441 0.0000 C 0 0 15.3533 -1.1525 0.0000 C 0 0 15.3786 -3.7504 0.0000 C 0 0 17.3158 -2.4324 0.0000 F 0 0 -1.0028 -1.5132 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 11 1 0 7 24 1 0 8 2 2 0 9 6 1 0 10 4 2 0 11 17 1 0 12 16 1 0 13 1 1 0 14 9 2 0 15 9 1 0 16 7 1 0 17 7 1 0 18 3 1 0 19 21 1 0 20 14 1 0 21 15 2 0 22 19 1 0 23 5 1 0 24 26 1 0 25 13 1 0 26 25 1 0 27 18 1 0 28 23 1 0 3 5 1 0 28 27 1 0 12 6 1 0 20 19 2 0 M END > 33998 > J. Med. Chem. 39(22)-1996 4439-4450 > D2 > 6.2111 $$$$ SciTegic07090714462D 28 32 0 0 0 0 999 V2000 -10.4097 3.7432 0.0000 C 0 0 -11.7341 3.1213 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -10.5460 5.2183 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1101 2.9927 0.0000 N 0 0 -12.7485 4.2299 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -12.0088 5.5272 0.0000 C 0 0 -6.5121 1.4924 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.5294 6.3267 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -12.4906 6.9519 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -10.0074 7.7693 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -11.4702 8.0781 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 13 1 0 5 1 1 0 6 4 1 0 7 1 1 0 8 2 1 0 9 3 1 0 10 6 2 0 11 5 1 0 12 20 1 0 13 18 1 0 14 10 1 0 15 3 2 0 16 7 1 0 17 7 1 0 18 12 1 0 19 16 1 0 20 17 1 0 21 5 2 0 22 9 1 0 23 11 2 0 24 14 1 0 25 21 1 0 26 22 2 0 27 25 2 0 28 24 2 0 8 11 1 0 19 12 1 0 23 27 1 0 9 14 2 0 28 26 1 0 M END > 121543 > Eur. J. Med. Chem. 37(9)-2002 721-730 > D2 > 6.3377 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 14.2828 -1.5288 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 12.9858 -0.7740 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 10.3928 0.7351 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 14.2801 -3.0289 0.0000 N 0 0 15.5834 -0.7813 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 11.6841 -1.5195 0.0000 C 0 0 12.9909 0.7260 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 11.6945 1.4805 0.0000 C 0 0 10.3877 -0.7650 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 16.8782 -3.0338 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 9.0941 1.4873 0.0000 C 0 0 15.5778 -3.7813 0.0000 C 0 0 16.8810 -1.5338 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 2 12 1 0 3 1 1 0 4 2 1 0 5 16 1 0 6 17 1 0 7 4 1 0 8 1 1 0 9 1 2 0 10 11 1 0 11 5 1 0 12 19 2 0 13 3 1 0 14 3 1 0 15 4 2 0 16 20 2 0 17 14 1 0 18 13 1 0 19 22 1 0 20 19 1 0 21 25 2 0 22 26 1 0 23 6 1 0 24 8 2 0 25 9 1 0 26 28 1 0 27 23 1 0 28 27 1 0 21 24 1 0 6 18 1 0 5 2 2 0 7 10 2 0 M END > 83389 > J. Med. Chem. 34(1)-1991 248-256 > D2 > 6.4572 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -5.1820 6.0160 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -5.1747 7.5168 0.0000 N 0 0 -3.8864 5.2585 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8991 -0.7525 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -6.2243 5.4214 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 6.2371 -0.9062 0.0000 Cl 0 0 -6.4685 8.2759 0.0000 C 0 0 -3.8704 8.2579 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -3.8601 9.7579 0.0000 C 0 0 -6.4581 9.7759 0.0000 C 0 0 -5.1539 10.5169 0.0000 C 0 0 2 10 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 13 1 0 7 5 2 0 8 4 2 0 9 1 2 0 10 15 1 0 11 14 1 0 12 8 1 0 13 12 1 0 14 6 1 0 15 6 1 0 16 7 1 0 17 16 1 0 18 3 1 0 19 3 1 0 20 4 1 0 21 5 1 0 22 20 2 0 23 21 2 0 24 22 1 0 25 23 1 0 26 19 1 0 27 18 1 0 28 26 1 0 24 12 2 0 28 27 1 0 2 11 1 0 25 16 2 0 M END > 43846 > J. Med. Chem. 41(12)-1998 1997-2009 > D2 > 6.4597 $$$$ SciTegic07090714462D 28 32 0 0 1 0 999 V2000 -2.6726 8.3611 0.0000 N 0 0 -3.8904 7.5035 0.0000 C 0 0 -5.0941 8.3664 0.0000 C 0 0 -3.1250 9.7631 0.0000 O 0 0 -4.6182 9.7836 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -6.5649 8.0525 0.0000 C 0 0 -5.6016 10.9216 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.8958 6.0028 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -7.0898 10.6135 0.0000 C 0 0 -2.5995 5.2481 0.0000 C 0 0 -5.1976 5.2575 0.0000 C 0 0 -2.6050 3.7481 0.0000 C 0 0 -5.2030 3.7575 0.0000 C 0 0 -7.5656 9.1962 0.0000 C 0 0 -7.8860 11.5112 0.0000 F 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 13 1 0 7 8 1 0 8 15 1 0 9 22 1 0 10 3 2 0 11 5 2 0 12 17 1 1 13 12 1 0 14 2 1 0 15 12 1 0 16 6 2 0 17 9 1 0 18 11 1 0 19 14 1 0 20 14 1 0 21 19 1 0 22 20 1 0 23 10 1 0 24 18 1 0 25 8 2 0 26 7 2 0 27 25 1 0 28 27 2 0 5 3 1 0 9 21 1 0 23 18 2 0 6 7 1 0 28 26 1 0 M END > 138770 > Bioorg. Med. Chem. Lett. 14(3)-2004 585-589 > D2 > 6.6700 $$$$ SciTegic07090714462D 28 32 0 0 1 0 999 V2000 -2.5826 8.2509 0.0000 N 0 0 -2.5858 9.7694 0.0000 C 0 0 -5.1908 9.7440 0.0000 N 0 0 -5.1975 8.2400 0.0000 C 0 0 -3.9008 10.4994 0.0000 C 0 0 1 0 0 0 -1.2919 2.9980 0.0000 N 0 0 -3.8733 7.4942 0.0000 C 0 0 -1.2837 7.4991 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2844 5.9982 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.5523 10.3792 0.0000 O 0 0 -6.2348 7.6367 0.0000 O 0 0 -2.5891 3.7515 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0127 5.2449 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 -6.3028 10.7408 0.0000 C 0 0 -4.2261 11.9569 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -5.6910 12.1132 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 7 1 0 5 2 1 0 6 14 1 0 7 1 1 0 8 1 1 0 9 6 1 0 10 8 1 0 11 9 1 0 12 2 2 0 13 4 2 0 14 18 1 0 15 17 1 0 16 11 1 0 17 10 1 0 18 10 1 0 19 3 1 0 5 20 1 1 21 9 2 0 22 20 1 0 23 11 2 0 24 21 1 0 25 24 2 0 26 16 2 0 27 23 1 0 28 27 2 0 3 5 1 0 6 15 1 0 19 22 1 0 25 16 1 0 28 26 1 0 M END > 103392 > Bioorg. Med. Chem. Lett. 13(8)-2003 1429-1432 > D2 > 6.7165 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -0.3208 0.5719 0.0000 C 0 0 1.0601 0.0139 0.0000 N 0 0 -0.4742 -1.8412 0.0000 S 0 0 10.0602 2.6164 0.0000 N 0 0 -1.2832 -0.5719 0.0000 C 0 0 0.9903 -1.4367 0.0000 C 0 0 11.3286 3.4185 0.0000 C 0 0 7.5245 1.0130 0.0000 N 0 0 -0.6103 1.7364 0.0000 O 0 0 8.7320 3.3135 0.0000 C 0 0 10.1205 1.1176 0.0000 C 0 0 11.2707 4.9174 0.0000 C 0 0 8.8527 0.3160 0.0000 C 0 0 7.4642 2.5118 0.0000 C 0 0 2.3284 0.8126 0.0000 C 0 0 9.9444 5.6198 0.0000 O 0 0 6.2544 0.2135 0.0000 C 0 0 -2.5107 -1.4646 0.0000 C 0 0 -1.7435 0.8508 0.0000 C 0 0 12.6558 2.7193 0.0000 C 0 0 12.5398 5.7171 0.0000 C 0 0 9.8997 6.8190 0.0000 C 0 0 3.6563 0.1133 0.0000 C 0 0 4.9265 0.9128 0.0000 C 0 0 -3.2500 0.8648 0.0000 C 0 0 -3.7242 -0.5719 0.0000 C 0 0 13.9248 3.5190 0.0000 C 0 0 13.8668 5.0179 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 10 1 0 5 1 1 0 6 2 1 0 7 4 1 0 8 17 1 0 9 1 2 0 10 14 1 0 11 13 1 0 12 7 1 0 13 8 1 0 14 8 1 0 15 2 1 0 16 12 1 0 17 24 1 0 18 5 1 0 19 5 1 0 20 7 2 0 21 12 2 0 22 16 1 0 23 15 1 0 24 23 1 0 25 19 1 0 26 18 1 0 27 20 1 0 28 27 2 0 6 3 1 0 25 26 1 0 11 4 1 0 21 28 1 0 M END > 33309 > J. Med. Chem. 39(20)-1996 4044-4057 > D2 > 6.8239 $$$$ SciTegic07090714462D 28 31 0 0 1 0 999 V2000 0.3168 3.8022 0.0000 N 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -5.4613 12.5782 0.0000 C 0 0 -5.5862 11.0861 0.0000 C 0 0 0.0186 0.7828 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 -4.1069 13.2160 0.0000 C 0 0 -2.0023 3.8835 0.0000 O 0 0 2.6644 3.3712 0.0000 O 0 0 -4.3568 10.2319 0.0000 C 0 0 -6.6907 13.4324 0.0000 C 0 0 0.4462 5.2971 0.0000 C 0 0 -2.9855 10.8680 0.0000 C 0 0 1 0 0 0 -2.8593 12.3602 0.0000 C 0 0 -6.5905 14.6282 0.0000 F 0 0 -1.7556 10.0079 0.0000 N 0 0 -6.9406 10.4483 0.0000 C 0 0 -8.1700 11.3025 0.0000 C 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 -8.0451 12.7946 0.0000 C 0 0 -1.8846 8.5126 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 1.4351 -1.1556 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 12 1 0 6 7 1 0 7 3 1 0 8 2 1 0 9 16 1 0 10 3 2 0 11 2 2 0 12 15 1 0 13 4 2 0 14 1 1 0 15 18 1 1 16 15 1 0 17 13 1 0 18 24 1 0 19 5 2 0 20 19 1 0 21 6 1 0 22 6 1 0 23 13 1 0 24 26 1 0 25 14 1 0 26 25 1 0 27 22 1 0 28 21 1 0 8 6 1 0 27 28 1 0 4 5 1 0 23 20 2 0 M END > 33949 > J. Med. Chem. 39(22)-1996 4421-4429 > D2 > 7.1662 $$$$ SciTegic07090714462D 28 32 0 0 1 0 999 V2000 0.0000 -1.3706 0.0000 N 0 0 -0.7832 0.8615 0.0000 C 0 0 2 0 0 0 -1.2531 -0.4569 0.0000 C 0 0 2 0 0 0 1.1095 -0.5221 0.0000 C 0 0 0.6527 0.8615 0.0000 C 0 0 -2.6890 -0.7702 0.0000 C 0 0 -5.3531 7.8758 0.0000 C 0 0 -1.7753 1.9841 0.0000 C 0 0 -3.2372 1.6839 0.0000 N 0 0 2.5585 -0.8224 0.0000 C 0 0 -4.3436 6.7652 0.0000 C 0 0 -4.8992 9.3055 0.0000 C 0 0 3.0153 -2.2321 0.0000 O 0 0 -3.6811 0.3133 0.0000 C 0 0 -3.1711 7.0205 0.0000 O 0 0 0.0392 -2.8718 0.0000 C 0 0 1.6578 1.9841 0.0000 C 0 0 -3.7271 9.5629 0.0000 N 0 0 2.0233 -3.3156 0.0000 C 0 0 -4.2466 2.7949 0.0000 C 0 0 -6.8182 7.5542 0.0000 C 0 0 -3.7904 4.2247 0.0000 C 0 0 -4.7998 5.3353 0.0000 C 0 0 3.0937 1.6447 0.0000 C 0 0 3.5636 0.2480 0.0000 C 0 0 -5.9103 10.4135 0.0000 C 0 0 -7.8294 8.6621 0.0000 C 0 0 -7.3754 10.0918 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 1 0 5 4 1 0 3 6 1 1 7 11 1 0 2 8 1 1 9 14 1 0 10 4 2 0 11 23 1 0 12 7 2 0 13 19 1 0 14 6 1 0 15 11 2 0 16 1 1 0 17 5 2 0 18 12 1 0 19 16 1 0 20 9 1 0 21 7 1 0 22 20 1 0 23 22 1 0 24 25 2 0 25 10 1 0 26 12 1 0 27 21 2 0 28 27 1 0 2 5 1 0 13 10 1 0 24 17 1 0 9 8 1 0 28 26 2 0 M END > 101595 > Bioorg. Med. Chem. Lett. 13(4)-2003 767-770 > D2 > 7.2218 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 2.1853 13.1310 0.0000 C 0 0 2.7424 14.5246 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 0.9975 12.9600 0.0000 O 0 0 2.3768 17.0969 0.0000 N 0 0 3.1128 11.9511 0.0000 N 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 1.8171 15.7052 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 4.2275 14.7358 0.0000 C 0 0 3.8618 17.3080 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 4.7872 16.1275 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 14 1 0 7 6 1 0 8 3 2 0 9 16 1 0 10 4 1 0 11 4 1 0 12 6 2 0 13 17 1 0 14 23 1 0 15 10 1 0 16 11 1 0 17 7 2 0 18 3 1 0 19 9 1 0 20 7 1 0 21 26 1 0 22 8 1 0 23 25 1 0 24 19 1 0 25 24 1 0 26 20 2 0 27 18 2 0 28 27 1 0 8 5 1 0 15 9 1 0 28 22 2 0 13 21 2 0 M END > 34339 > J. Med. Chem. 39(24)-1996 4692-4703 > D2 > 7.3279 $$$$ SciTegic07090714462D 28 32 0 0 0 0 999 V2000 -4.3651 14.3777 0.0000 C 0 0 -2.8708 14.2190 0.0000 N 0 0 -4.9643 13.0319 0.0000 O 0 0 -1.2919 2.9980 0.0000 N 0 0 -3.8664 12.0197 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.5659 12.7571 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2844 5.9982 0.0000 N 0 0 -4.9645 15.4173 0.0000 O 0 0 -3.8940 10.5159 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 -2.5891 3.7515 0.0000 C 0 0 -1.2613 12.0087 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0127 5.2449 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 -1.2837 7.4991 0.0000 C 0 0 -2.5818 9.7518 0.0000 C 0 0 -1.2799 10.4891 0.0000 C 0 0 -2.5826 8.2509 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 13 1 0 5 3 1 0 6 4 1 0 7 2 1 0 8 6 2 0 9 18 1 0 10 1 2 0 11 5 1 0 12 16 1 0 13 17 1 0 14 7 1 0 15 8 1 0 16 9 1 0 17 9 1 0 18 21 1 0 19 11 2 0 20 14 2 0 21 19 1 0 22 6 1 0 23 8 1 0 24 22 2 0 25 24 1 0 26 15 1 0 27 23 2 0 28 27 1 0 5 7 2 0 19 20 1 0 4 12 1 0 25 15 2 0 26 28 2 0 M END > 65636 > J. Med. Chem. 34(6)-1991 1860-1866 > D2 > 7.3565 $$$$ SciTegic07090714462D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 2.5956 -2.7031 0.0000 O 0 0 -2.8509 5.8560 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -6.4886 5.2609 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -7.7876 7.5110 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -8.8268 8.1110 0.0000 F 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 12 1 0 6 1 1 0 7 2 1 0 8 23 1 0 9 8 1 0 10 3 2 0 11 8 2 0 12 6 1 0 13 9 2 0 14 9 1 0 15 3 1 0 16 19 1 0 17 4 1 0 18 13 1 0 19 14 2 0 20 16 1 0 21 5 1 0 22 21 1 0 23 22 1 0 24 17 1 0 25 17 1 0 26 25 1 0 27 24 1 0 28 26 1 0 7 5 1 0 27 28 1 0 18 16 2 0 M END > 48838 > J. Med. Chem. 41(25)-1998 5084-5093 > D2 > 7.3665 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -3.8056 3.8679 0.0000 N 0 0 -3.3372 5.2929 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.5939 7.8779 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -4.4671 9.0976 0.0000 C 0 0 -1.8372 5.2877 0.0000 C 0 0 -1.3786 3.8595 0.0000 C 0 0 -4.2111 6.5099 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -5.6614 8.9805 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -4.9460 3.4943 0.0000 C 0 0 -2.1010 8.0244 0.0000 C 0 0 6.2371 -0.9062 0.0000 Cl 0 0 -3.8475 10.4637 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -1.4814 9.3905 0.0000 C 0 0 -2.3546 10.6101 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 15 1 0 6 4 1 0 7 2 2 0 8 3 2 0 9 2 1 0 10 12 1 0 11 5 1 0 12 3 1 0 13 11 2 0 14 17 1 0 15 18 1 0 16 6 2 0 17 10 1 0 18 10 1 0 19 13 1 0 20 1 1 0 21 4 1 0 22 19 1 0 23 6 1 0 24 11 1 0 25 24 2 0 26 25 1 0 27 21 1 0 28 27 1 0 7 8 1 0 5 14 1 0 28 23 1 0 26 19 2 0 M END > 6871 > J. Med. Chem. 35(3)-1992 552-558 > D2 > 7.4535 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 0.7675 0.7249 0.0000 C 0 0 2.0752 0.0000 0.0000 C 0 0 -0.5259 0.0000 0.0000 C 0 0 4.9890 0.7391 0.0000 N 0 0 -0.5259 -1.5209 0.0000 C 0 0 9.9849 -0.7015 0.0000 C 0 0 0.7648 1.9249 0.0000 O 0 0 11.4418 -0.3410 0.0000 C 0 0 2.0752 -1.5209 0.0000 C 0 0 3.1412 -1.0518 0.0000 C 0 0 2.4448 1.4214 0.0000 C 0 0 0.7675 -2.2742 0.0000 C 0 0 9.6524 -1.8545 0.0000 O 0 0 12.4841 -1.4198 0.0000 C 0 0 11.8550 1.1010 0.0000 C 0 0 4.5768 -0.6823 0.0000 C 0 0 3.8946 1.8194 0.0000 C 0 0 14.3526 0.3854 0.0000 C 0 0 13.3104 1.4642 0.0000 C 0 0 13.9395 -1.0566 0.0000 C 0 0 15.5169 0.6760 0.0000 F 0 0 6.4454 1.0998 0.0000 C 0 0 -1.8194 0.7249 0.0000 C 0 0 7.4867 0.0189 0.0000 C 0 0 8.9436 0.3794 0.0000 C 0 0 -1.8194 -2.2742 0.0000 C 0 0 -3.1270 0.0000 0.0000 C 0 0 -3.1270 -1.5209 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 17 1 0 5 3 1 0 6 25 1 0 7 1 2 0 8 6 1 0 9 2 1 0 10 2 1 0 11 2 1 0 12 5 1 0 13 6 2 0 14 8 2 0 15 8 1 0 16 10 1 0 17 11 1 0 18 19 1 0 19 15 2 0 20 14 1 0 21 18 1 0 22 4 1 0 23 3 2 0 24 22 1 0 25 24 1 0 26 5 2 0 27 23 1 0 28 27 2 0 9 12 1 0 16 4 1 0 26 28 1 0 20 18 2 0 M END > 15134 > J. Med. Chem. 37(3)-1994 364-370 > D2 > 7.6021 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 -13.0041 -0.7722 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -13.0060 0.4278 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -14.3029 -1.5242 0.0000 C 0 0 -11.7030 -1.5202 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -15.6045 -0.7785 0.0000 C 0 0 -14.2981 -3.0242 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -15.5947 -3.7785 0.0000 C 0 0 -16.9011 -1.5327 0.0000 C 0 0 -16.8962 -3.0327 0.0000 C 0 0 2 11 1 0 3 12 1 0 4 9 1 0 5 1 1 0 6 1 1 0 7 5 2 0 8 2 2 0 9 6 1 0 10 2 1 0 11 15 1 0 12 6 1 0 13 4 1 0 14 4 1 0 15 23 1 0 16 13 1 0 17 14 1 0 18 17 1 0 19 5 1 0 20 7 1 0 21 10 2 0 22 10 1 0 23 18 1 0 24 19 2 0 25 24 1 0 26 22 2 0 27 21 1 0 28 26 1 0 3 7 1 0 25 20 2 0 18 16 1 0 28 27 2 0 M END > 60672 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 7.6198 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 0.6405 0.8968 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 -1.9399 0.8968 0.0000 O 0 0 3.1973 3.8254 0.0000 C 0 0 -1.9399 -2.0863 0.0000 O 0 0 -0.6588 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 2.5936 4.8625 0.0000 O 0 0 0.6405 -2.0863 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 4.6981 3.8312 0.0000 O 0 0 -5.8574 0.1422 0.0000 N 0 0 -11.0574 0.1338 0.0000 C 0 0 -4.5586 0.8943 0.0000 C 0 0 -7.1586 0.8901 0.0000 C 0 0 -9.7586 0.8859 0.0000 C 0 0 5.2947 4.8724 0.0000 C 0 0 -12.3590 0.8794 0.0000 C 0 0 -11.0524 -1.3662 0.0000 C 0 0 -8.4574 0.1380 0.0000 C 0 0 -12.3490 -2.1205 0.0000 C 0 0 -13.6555 0.1251 0.0000 C 0 0 -13.6505 -1.3749 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 6 1 0 5 1 2 0 6 1 1 0 7 5 1 0 8 2 1 0 9 10 1 0 10 5 1 0 11 7 1 0 12 6 2 0 13 8 2 0 14 12 1 0 15 9 1 0 16 8 1 0 17 19 1 0 18 21 1 0 19 11 1 0 20 17 1 0 21 25 1 0 22 16 1 0 23 18 2 0 24 18 1 0 25 20 1 0 26 24 2 0 27 23 1 0 28 26 1 0 4 2 1 0 10 14 2 0 11 15 1 0 27 28 2 0 M END > 10926 > J. Med. Chem. 35(16)-1992 3058-3066 > D2 > 7.7986 $$$$ SciTegic07090714462D 28 31 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 2.7424 14.5246 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.9374 15.7751 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 2.1853 13.1310 0.0000 C 0 0 2.8997 16.9257 0.0000 S 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 4.1891 14.8695 0.0000 C 0 0 4.2914 16.3660 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 0.9975 12.9600 0.0000 O 0 0 0.7397 15.8498 0.0000 N 0 0 3.1128 11.9511 0.0000 N 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 8 1 0 4 1 1 0 5 3 2 0 6 1 1 0 7 2 1 0 8 18 1 0 9 5 1 0 10 4 2 0 11 19 1 0 12 3 1 0 13 12 2 0 14 6 1 0 15 6 1 0 16 8 2 0 17 5 1 0 18 24 1 0 19 15 1 0 20 14 1 0 21 4 1 0 22 11 1 0 23 10 1 0 24 26 1 0 25 22 1 0 26 25 1 0 27 21 2 0 28 27 1 0 10 7 1 0 20 11 1 0 28 23 2 0 13 9 1 0 M END > 34347 > J. Med. Chem. 39(24)-1996 4692-4703 > D2 > 7.9586 $$$$ SciTegic07090714462D 28 31 0 0 1 0 999 V2000 -0.7142 -1.3570 0.0000 C 0 0 -3.4343 -1.4318 0.0000 N 0 0 -1.8316 -3.5590 0.0000 C 0 0 1 0 0 0 -2.9073 -2.6744 0.0000 C 0 0 2 0 0 0 -0.6509 -2.6575 0.0000 C 0 0 -1.9557 -1.7000 0.0000 C 0 0 -1.3665 0.0240 0.0000 C 0 0 -8.0266 0.9658 0.0000 C 0 0 -8.8294 2.2339 0.0000 C 0 0 -3.1124 -4.0200 0.0000 C 0 0 -2.0711 -4.8763 0.0000 C 0 0 -8.5842 -0.0968 0.0000 O 0 0 -2.8614 0.1473 0.0000 C 0 0 -0.5122 1.2569 0.0000 C 0 0 -10.3283 2.1760 0.0000 C 0 0 -8.1302 3.5611 0.0000 C 0 0 0.4855 -1.3816 0.0000 O 0 0 -4.2247 -0.1820 0.0000 C 0 0 -2.6478 2.7366 0.0000 C 0 0 -10.4288 4.7721 0.0000 C 0 0 -1.1528 2.6132 0.0000 C 0 0 -11.1280 3.4450 0.0000 C 0 0 -3.5021 1.5036 0.0000 C 0 0 -8.9299 4.8301 0.0000 C 0 0 -11.0685 5.7873 0.0000 F 0 0 -3.0749 3.6408 0.0000 Cl 0 0 -5.7243 -0.2422 0.0000 C 0 0 -6.5270 1.0260 0.0000 C 0 0 2 4 1 0 3 5 1 0 4 6 1 0 5 1 1 0 6 1 1 0 7 1 1 0 8 28 1 0 9 8 1 0 4 10 1 6 3 11 1 1 12 8 2 0 13 7 2 0 14 7 1 0 15 9 1 0 16 9 2 0 17 1 1 0 18 2 1 0 19 21 1 0 20 24 2 0 21 14 2 0 22 15 2 0 23 13 1 0 24 16 1 0 25 20 1 0 26 19 1 0 27 18 1 0 28 27 1 0 2 3 1 0 19 23 2 0 10 11 1 0 22 20 1 0 M END > 121174 > Bioorg. Med. Chem. Lett. 13(21)-2003 3779-3782 > D2 > 9.5100 $$$$ SciTegic07090714462D 28 31 0 0 1 0 999 V2000 -2.9477 -0.3055 0.0000 C 0 0 3.9565 0.9958 0.0000 N 0 0 -1.4468 -0.3048 0.0000 C 0 0 -3.6998 -1.6033 0.0000 C 0 0 -3.6957 0.9947 0.0000 C 0 0 3.1997 2.3367 0.0000 C 0 0 2 0 0 0 3.1599 -0.3718 0.0000 C 0 0 1 0 0 0 -0.6962 0.9949 0.0000 N 0 0 -5.1998 -1.6010 0.0000 C 0 0 0.8099 0.9958 0.0000 C 0 0 1 0 0 0 -5.1957 0.9971 0.0000 C 0 0 -5.9478 -0.3008 0.0000 C 0 0 1.6065 2.3367 0.0000 C 0 0 1.5799 -0.3718 0.0000 C 0 0 5.4639 0.9943 0.0000 C 0 0 -0.8467 -1.3439 0.0000 O 0 0 2.2040 0.1593 0.0000 C 0 0 2.2040 1.9119 0.0000 C 0 0 -7.1478 -0.2989 0.0000 N 0 0 -5.7941 2.0372 0.0000 Cl 0 0 -2.9541 -2.9058 0.0000 O 0 0 6.2163 2.2930 0.0000 C 0 0 -3.5572 -3.9432 0.0000 C 0 0 7.7163 2.2938 0.0000 C 0 0 5.4657 3.5917 0.0000 C 0 0 6.2151 4.8911 0.0000 C 0 0 8.4657 3.5932 0.0000 C 0 0 7.7151 4.8918 0.0000 C 0 0 2 7 1 0 3 1 1 0 4 1 1 0 5 1 2 0 6 13 1 0 7 14 1 0 8 3 1 0 9 4 2 0 10 8 1 1 11 5 1 0 12 11 2 0 13 10 1 0 14 10 1 0 15 2 1 0 16 3 2 0 7 17 1 6 6 18 1 6 19 12 1 0 20 11 1 0 21 4 1 0 22 15 1 0 23 21 1 0 24 22 2 0 25 22 1 0 26 25 2 0 27 24 1 0 28 26 1 0 12 9 1 0 2 6 1 0 18 17 1 0 28 27 2 0 M END > 108649 > J. Med. Chem. 46(5)-2003 702-715 > D2 > 9.5528 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 7.7772 -9.7643 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 6.4703 -12.0099 0.0000 C 0 0 9.0684 -12.0189 0.0000 C 0 0 9.0736 -10.5189 0.0000 C 0 0 6.4755 -10.5099 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 7.7668 -12.7644 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 7.7626 -13.9644 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 7.7793 -8.2635 0.0000 C 0 0 -5.7018 2.5360 0.0000 C 0 0 -4.2533 2.9255 0.0000 C 0 0 -5.3123 1.0874 0.0000 C 0 0 3.8890 -3.0026 0.0000 C 0 0 6.4811 -7.5104 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 6.4832 -6.0096 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 2 1 2 0 3 6 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 21 1 0 8 3 1 0 9 4 2 0 10 1 1 0 11 6 1 0 12 15 1 0 13 14 1 0 14 7 1 0 15 7 1 0 16 18 1 0 17 12 1 0 18 11 2 0 19 17 1 0 20 16 1 0 21 26 1 0 22 24 1 0 23 10 1 0 24 10 1 0 25 20 1 0 26 28 1 0 27 25 1 0 28 29 1 0 29 27 1 0 22 23 1 0 3 4 1 0 8 16 2 0 13 17 1 0 M END > 8447 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 4.8539 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 5.2082 8.2455 0.0000 N 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 6.5151 10.4910 0.0000 C 0 0 7.8063 8.2365 0.0000 C 0 0 5.2134 9.7455 0.0000 C 0 0 6.5047 7.4910 0.0000 C 0 0 7.8115 9.7365 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 8.8528 10.3329 0.0000 O 0 0 3.9073 7.4969 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.9042 5.9961 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 4 1 0 6 2 2 0 7 19 1 0 8 1 2 0 9 2 1 0 10 4 1 0 11 13 1 0 12 14 1 0 13 7 1 0 14 7 1 0 15 12 1 0 16 6 1 0 17 9 1 0 18 15 1 0 19 25 1 0 20 21 1 0 21 9 2 0 22 10 2 0 23 10 1 0 24 17 1 0 25 26 1 0 26 24 1 0 27 23 2 0 28 22 1 0 29 27 1 0 5 6 1 0 20 16 2 0 29 28 2 0 15 11 1 0 M END > 8395 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.0223 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 6.4811 -7.5104 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 7.7723 -9.7649 0.0000 C 0 0 5.1743 -9.7560 0.0000 C 0 0 7.7775 -8.2650 0.0000 C 0 0 5.1795 -8.2560 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 6.4707 -10.5105 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 6.4666 -11.7104 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 6.4832 -6.0096 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 6 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 21 1 0 8 3 1 0 9 1 1 0 10 4 2 0 11 6 1 0 12 14 1 0 13 15 1 0 14 7 1 0 15 7 1 0 16 18 1 0 17 13 1 0 18 11 2 0 19 17 1 0 20 16 1 0 21 25 1 0 22 9 1 0 23 9 2 0 24 20 1 0 25 26 1 0 26 24 1 0 27 22 2 0 28 23 1 0 29 28 2 0 3 4 1 0 29 27 1 0 8 16 2 0 17 12 1 0 M END > 8409 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.1675 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -3.8539 10.5124 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -3.8717 7.5123 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -5.1574 9.7701 0.0000 C 0 0 -2.5593 9.7547 0.0000 C 0 0 -3.8450 12.0131 0.0000 C 0 0 -0.2489 3.5938 0.0000 O 0 0 -2.5870 3.7544 0.0000 N 0 0 -5.1663 8.2701 0.0000 C 0 0 -2.5682 8.2547 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 1.2995 -2.9981 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -2.5428 12.7576 0.0000 C 0 0 -5.1408 12.7688 0.0000 C 0 0 2.3396 -3.5967 0.0000 C 0 0 -5.1343 14.2688 0.0000 C 0 0 -2.5363 14.2576 0.0000 C 0 0 -3.8321 15.0132 0.0000 C 0 0 2 9 1 0 3 1 1 0 4 1 2 0 5 3 1 0 6 19 1 0 7 4 1 0 8 13 1 0 9 14 1 0 10 2 1 0 11 5 2 0 12 5 1 0 13 6 1 0 14 6 1 0 15 1 1 0 16 12 1 0 17 7 1 0 18 4 1 0 19 16 1 0 20 3 1 0 21 18 1 0 22 15 2 0 23 22 1 0 24 10 1 0 25 10 2 0 26 17 1 0 27 25 1 0 28 24 2 0 29 27 2 0 23 7 2 0 21 20 1 0 8 2 1 0 28 29 1 0 M END > 32146 > J. Med. Chem. 39(16)-1996 3195-3202 > D2 > 5.3936 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -10.1543 -8.2060 0.0000 C 0 0 -8.8496 -7.4644 0.0000 N 0 0 -6.2413 -5.9820 0.0000 N 0 0 -0.9991 2.7132 0.0000 O 0 0 -11.4496 -7.4494 0.0000 N 0 0 -10.1622 -9.7060 0.0000 N 0 0 -3.3560 1.3452 0.0000 N 0 0 -3.6187 -1.4919 0.0000 S 0 0 -7.5556 -8.2232 0.0000 C 0 0 -8.8394 -5.9645 0.0000 C 0 0 -6.2516 -7.4820 0.0000 C 0 0 -7.5354 -5.2233 0.0000 C 0 0 2.0825 2.3453 0.0000 C 0 0 3.7889 0.0269 0.0000 C 0 0 -4.9380 -5.2378 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 -12.7602 -9.6926 0.0000 C 0 0 -11.4651 -10.4493 0.0000 C 0 0 -12.7525 -8.1926 0.0000 C 0 0 -3.6267 -2.9927 0.0000 C 0 0 2 1 2 0 3 5 1 0 4 2 1 0 5 1 1 0 6 3 1 0 7 2 1 0 8 1 1 0 9 8 2 0 10 11 1 0 11 19 1 0 12 24 1 0 13 5 2 0 14 10 2 0 15 10 1 0 16 3 1 0 17 6 1 0 18 20 1 0 19 21 1 0 20 12 1 0 21 12 1 0 22 8 1 0 23 9 1 0 24 25 1 0 25 29 1 0 26 27 1 0 27 15 2 0 28 14 1 0 29 17 1 0 9 7 1 0 4 6 2 0 18 11 1 0 28 26 2 0 M END > 35510 > J. Med. Chem. 40(4)-1997 574-585 > D2 > 5.6990 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 -3.6553 5.9482 0.0000 N 0 0 -3.6203 1.4891 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -3.6836 8.9481 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 -3.6435 4.4474 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 -2.3634 6.7105 0.0000 C 0 0 -4.9613 6.6860 0.0000 C 0 0 -2.3268 2.2077 0.0000 C 0 0 -4.9248 2.1873 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -4.9366 3.6873 0.0000 C 0 0 -2.3386 3.7077 0.0000 C 0 0 -3.6947 10.4489 0.0000 C 0 0 -2.3775 8.2104 0.0000 C 0 0 -4.9755 8.1859 0.0000 C 0 0 -4.6542 0.8799 0.0000 O 0 0 -2.4010 11.2097 0.0000 C 0 0 -2.4098 12.7097 0.0000 C 0 0 -1.0974 10.4675 0.0000 C 0 0 0.1972 11.2253 0.0000 C 0 0 -1.1153 13.4675 0.0000 C 0 0 0.1882 12.7253 0.0000 C 0 0 2 14 1 0 3 2 1 0 4 6 1 0 5 22 1 0 6 3 2 0 7 17 1 0 8 4 1 0 9 1 1 0 10 7 1 0 11 8 1 0 12 1 1 0 13 1 1 0 14 19 1 0 15 18 1 0 16 3 1 0 17 16 2 0 18 9 1 0 19 9 1 0 20 5 1 0 21 12 1 0 22 13 1 0 23 2 1 0 24 20 1 0 25 24 2 0 26 24 1 0 27 26 2 0 28 25 1 0 29 27 1 0 21 5 1 0 2 15 1 0 29 28 2 0 4 7 2 0 10 11 1 0 M END > 100321 > Bioorg. Med. Chem. Lett. 13(2)-2003 285-288 > D2 > 5.7696 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.8338 12.9653 0.0000 C 0 0 1.6281 11.7374 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 1.7761 14.1238 0.0000 C 0 0 3.1685 13.5794 0.0000 C 0 0 3.0752 12.0890 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.9985 9.1640 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 -0.3644 13.0305 0.0000 O 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 1.0710 10.3438 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.5343 15.6082 0.0000 C 0 0 4.3530 14.5062 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 2.7254 16.5520 0.0000 C 0 0 4.1178 16.0076 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 18 1 0 5 1 1 0 6 1 1 0 7 2 1 0 8 3 1 0 9 10 1 0 10 4 1 0 11 5 2 0 12 13 3 0 13 21 1 0 14 19 1 0 15 3 2 0 16 6 1 0 17 6 1 0 18 12 1 0 19 17 1 0 20 16 1 0 21 14 1 0 22 5 1 0 23 8 2 0 24 9 2 0 25 11 1 0 26 22 2 0 27 23 1 0 28 24 1 0 29 26 1 0 7 11 1 0 14 20 1 0 25 29 2 0 8 9 1 0 27 28 2 0 M END > 28133 > J. Med. Chem. 39(1)-1996 149-157 > D2 > 5.9586 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 10.3928 0.7351 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 11.6841 -1.5195 0.0000 C 0 0 12.9909 0.7260 0.0000 C 0 0 11.6945 1.4805 0.0000 C 0 0 10.3877 -0.7650 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 12.9858 -0.7740 0.0000 C 0 0 14.0229 -1.3776 0.0000 O 0 0 3.8942 1.4964 0.0000 O 0 0 9.0941 1.4873 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 3 1 0 8 21 1 0 9 6 1 0 10 1 1 0 11 5 2 0 12 15 1 0 13 14 1 0 14 8 1 0 15 8 1 0 16 7 2 0 17 16 1 0 18 12 1 0 19 18 1 0 20 16 1 0 21 25 1 0 22 10 2 0 23 10 1 0 24 20 1 0 25 26 1 0 26 24 1 0 27 23 2 0 28 22 1 0 29 27 1 0 6 5 1 0 29 28 2 0 9 17 2 0 18 13 1 0 M END > 8461 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 6.0000 $$$$ SciTegic07090714462D 29 31 0 0 0 0 999 V2000 -3.3372 5.2929 0.0000 C 0 0 -3.8056 3.8679 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -4.2111 6.5099 0.0000 C 0 0 -1.8372 5.2877 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.3786 3.8595 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -3.5939 7.8779 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 -5.4051 6.3907 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -4.9460 3.4943 0.0000 C 0 0 -4.4693 9.0970 0.0000 C 0 0 5.2066 1.4948 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -3.9759 10.1909 0.0000 C 0 0 -5.6634 8.9778 0.0000 C 0 0 5.2111 2.6948 0.0000 C 0 0 6.2438 0.8913 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 2 0 6 15 1 0 7 5 1 0 8 6 1 0 9 8 1 0 10 12 1 0 11 4 1 0 12 3 1 0 13 9 1 0 14 4 2 0 15 18 1 0 16 17 1 0 17 10 1 0 18 10 1 0 19 2 1 0 20 11 1 0 21 13 1 0 22 9 2 0 23 8 2 0 24 20 1 0 25 20 1 0 26 21 1 0 27 21 1 0 28 29 2 0 29 23 1 0 3 7 2 0 16 6 1 0 22 28 1 0 M END > 26487 > J. Med. Chem. 38(21)-1995 4198-4210 > D2 > 6.0000 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 0.6967 12.9123 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2964 5.4106 0.0000 N 0 0 2.1810 13.1285 0.0000 C 0 0 3.1104 11.9512 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 -0.2309 14.0922 0.0000 C 0 0 2.5556 10.5575 0.0000 C 0 0 0.1418 11.5187 0.0000 C 0 0 0.2146 15.2064 0.0000 O 0 0 1.0712 10.3413 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.5951 12.1707 0.0000 O 0 0 3.4832 9.3777 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 2.9260 7.9841 0.0000 C 0 0 -1.4186 13.9213 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 5.0374 13.2862 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 13 2 0 6 4 1 0 7 18 1 0 8 9 2 0 9 12 1 0 10 2 1 0 11 5 1 0 12 21 1 0 13 15 1 0 14 11 2 0 15 12 2 0 16 10 1 0 17 10 1 0 18 17 1 0 19 16 1 0 20 9 1 0 21 24 1 0 22 3 2 0 23 7 1 0 24 23 1 0 25 11 1 0 26 6 2 0 27 20 1 0 28 22 1 0 29 26 1 0 3 6 1 0 28 29 2 0 19 7 1 0 5 8 1 0 M END > 22120 > J. Med. Chem. 38(7)-1995 1119-1131 > D2 > 6.0137 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.3168 3.8022 0.0000 N 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -4.3466 10.2270 0.0000 N 0 0 -5.5782 11.0845 0.0000 C 0 0 0.0186 0.7828 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 -1.8846 8.5126 0.0000 N 0 0 -2.0023 3.8835 0.0000 O 0 0 2.6644 3.3712 0.0000 O 0 0 0.4462 5.2971 0.0000 O 0 0 -2.9888 10.8644 0.0000 C 0 0 -4.4735 8.7323 0.0000 C 0 0 -6.9371 10.4493 0.0000 C 0 0 -1.7579 10.0073 0.0000 C 0 0 -3.2425 7.8752 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 -7.0696 8.9543 0.0000 O 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 -5.4491 12.5790 0.0000 C 0 0 -8.1668 11.3084 0.0000 C 0 0 -8.1574 8.4476 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 1.4351 -1.1556 0.0000 C 0 0 -6.6787 13.4381 0.0000 C 0 0 -8.0375 12.8028 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 14 1 0 5 4 1 0 6 8 1 0 7 2 1 0 8 3 1 0 9 19 1 0 10 3 2 0 11 2 2 0 12 1 1 0 13 16 1 0 14 17 1 0 15 5 1 0 16 9 1 0 17 9 1 0 18 12 1 0 19 18 1 0 20 15 1 0 21 6 1 0 22 6 1 0 23 5 2 0 24 15 2 0 25 20 1 0 26 21 1 0 27 22 1 0 28 23 1 0 29 28 2 0 7 6 1 0 27 26 1 0 4 13 1 0 29 24 1 0 M END > 64535 > J. Med. Chem. 34(3)-1991 1068-1072 > D2 > 6.1308 $$$$ SciTegic07090714462D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -5.1873 7.5117 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -6.4855 8.2648 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.4856 9.7648 0.0000 C 0 0 -4.1470 8.1099 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 -5.1894 6.0109 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -7.7846 10.5148 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 -7.7876 12.0157 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -7.7846 7.5148 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -9.0837 8.2649 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 4.9457 1.3452 0.0000 C 0 0 -8.8277 12.6142 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 11 1 0 3 1 1 0 4 13 1 0 5 2 1 0 6 1 1 0 7 1 1 0 8 5 2 0 9 2 2 0 10 3 2 0 11 22 1 0 12 6 1 0 13 7 1 0 14 8 1 0 15 10 1 0 16 14 1 0 17 4 1 0 18 5 1 0 19 3 1 0 20 18 2 0 21 10 1 0 22 27 1 0 23 20 1 0 24 15 1 0 25 16 1 0 26 17 1 0 27 26 1 0 28 19 2 0 29 28 1 0 4 12 1 0 29 21 2 0 23 14 2 0 M END > 107636 > J. Med. Chem. 45(26)-2002 5727-5735 > D2 > 6.1675 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -6.5120 8.2384 0.0000 C 0 0 -5.2112 7.4898 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 -6.5151 9.7392 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 -7.8141 10.4893 0.0000 C 0 0 -7.8141 11.9893 0.0000 C 0 0 -6.5150 12.7393 0.0000 C 0 0 -7.5502 7.6366 0.0000 O 0 0 -5.2060 5.9898 0.0000 C 0 0 -3.9148 8.2443 0.0000 C 0 0 -5.2160 10.4893 0.0000 C 0 0 -5.2160 11.9893 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -8.8533 12.5893 0.0000 Cl 0 0 4.3895 -2.5380 0.0000 C 0 0 -6.5150 13.9393 0.0000 Cl 0 0 4.0035 -1.0885 0.0000 C 0 0 2.9400 -2.9240 0.0000 C 0 0 -2.6131 7.4988 0.0000 C 0 0 -3.9044 5.2443 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 15 2 0 5 1 1 0 6 3 1 0 7 5 1 0 8 7 2 0 9 14 2 0 10 1 2 0 11 2 1 0 12 2 1 0 13 5 2 0 14 13 1 0 15 26 1 0 16 28 1 0 17 8 1 0 18 21 1 0 19 9 1 0 20 6 1 0 21 6 1 0 22 12 1 0 23 11 1 0 24 27 1 0 25 22 1 0 26 16 1 0 27 29 2 0 28 25 1 0 29 15 1 0 8 9 1 0 25 23 1 0 24 3 2 0 20 18 1 0 M END > 51592 > J. Med. Chem. 42(9)-1999 1648-1660 > D2 > 6.2200 $$$$ SciTegic07090714462D 29 32 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -7.7875 7.5110 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -7.7897 6.0102 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8991 -0.7525 0.0000 N 0 0 -6.7472 8.1092 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -9.0857 8.2641 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 1 0 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -9.0857 9.7642 0.0000 C 0 0 -10.3849 7.5142 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -11.6839 8.2643 0.0000 C 0 0 -10.3847 10.5142 0.0000 C 0 0 -11.6838 9.7643 0.0000 C 0 0 2 4 1 0 3 1 1 0 14 4 1 1 5 11 1 0 6 3 2 0 7 2 2 0 8 1 1 0 9 1 1 0 10 2 1 0 11 9 1 0 12 8 1 0 13 5 1 0 14 18 1 0 15 13 1 0 16 15 1 6 17 19 1 0 18 20 1 0 19 16 1 0 20 16 1 0 21 3 1 0 22 6 1 0 23 10 1 0 24 10 2 0 25 21 2 0 26 25 1 0 27 24 1 0 28 23 2 0 29 27 2 0 12 5 1 0 26 22 2 0 17 14 1 0 28 29 1 0 M END > 20410 > J. Med. Chem. 37(24)-1994 4251-4257 > D2 > 6.3536 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6267 2.9927 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 -3.6365 5.9928 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -6.2589 10.4830 0.0000 C 0 0 -6.2669 11.9838 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 C 0 0 -7.2952 9.8778 0.0000 O 0 0 -7.5684 12.7296 0.0000 C 0 0 -4.9703 12.7382 0.0000 C 0 0 -4.9282 3.7385 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -4.9331 5.2385 0.0000 C 0 0 -6.2768 14.9839 0.0000 C 0 0 -4.9753 14.2382 0.0000 C 0 0 -7.5733 14.2296 0.0000 C 0 0 -6.2807 16.1839 0.0000 F 0 0 -3.6445 7.4936 0.0000 C 0 0 -4.9477 8.2379 0.0000 C 0 0 -4.9557 9.7387 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 15 1 0 5 2 1 0 6 21 1 0 7 2 1 0 8 10 1 0 9 1 1 0 10 3 1 0 11 9 2 0 12 29 1 0 13 12 1 0 14 3 2 0 15 8 1 0 16 12 2 0 17 13 2 0 18 13 1 0 19 4 1 0 20 4 1 0 21 20 1 0 22 19 1 0 23 24 1 0 24 18 2 0 25 17 1 0 26 23 1 0 27 6 1 0 28 27 1 0 29 28 1 0 5 11 1 0 8 7 1 0 22 6 1 0 23 25 2 0 M END > 75567 > J. Med. Chem. 43(24)-2000 4678-4693 > D2 > 6.3900 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 -5.9380 11.6148 0.0000 N 0 0 -0.9982 3.0140 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3777 9.7577 0.0000 S 0 0 -6.5441 12.9870 0.0000 C 0 0 -3.8429 10.0790 0.0000 C 0 0 -2.2494 8.2760 0.0000 C 0 0 -0.9680 6.0137 0.0000 N 0 0 -4.4462 11.4504 0.0000 C 0 0 -4.6013 8.7849 0.0000 C 0 0 -3.6048 7.6637 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.3086 3.7509 0.0000 C 0 0 -2.2894 3.7767 0.0000 C 0 0 -0.9561 7.5145 0.0000 C 0 0 -5.8359 13.9557 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 0.3235 5.2508 0.0000 C 0 0 -2.2745 5.2767 0.0000 C 0 0 -6.8234 10.4040 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -8.0354 13.1483 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -8.3147 10.5652 0.0000 C 0 0 -8.9207 11.9374 0.0000 C 0 0 2 17 1 0 3 4 1 0 4 2 1 0 5 7 1 0 6 1 1 0 7 10 1 0 8 5 1 0 9 18 1 0 10 1 1 0 11 7 2 0 12 11 1 0 13 3 1 0 14 13 1 0 15 3 2 0 16 21 1 0 17 22 1 0 18 8 1 0 19 6 2 0 20 15 1 0 21 9 1 0 22 9 1 0 23 1 1 0 24 4 2 0 25 6 1 0 26 24 1 0 27 26 2 0 28 23 1 0 29 28 1 0 25 29 1 0 8 12 2 0 2 16 1 0 15 27 1 0 14 20 2 0 M END > 26495 > J. Med. Chem. 38(21)-1995 4198-4210 > D2 > 6.4776 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 6.5873 3.5462 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 10.4611 7.0151 0.0000 C 0 0 11.9299 7.3236 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 9.6606 7.9090 0.0000 O 0 0 12.3998 8.7481 0.0000 C 0 0 12.9287 6.2044 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 14.8671 7.9343 0.0000 C 0 0 14.3973 6.5098 0.0000 C 0 0 13.8684 9.0535 0.0000 C 0 0 16.0420 8.1786 0.0000 F 0 0 8.0561 3.8547 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 8.5242 5.2806 0.0000 C 0 0 9.9930 5.5891 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 3 2 0 5 1 1 0 6 8 1 0 7 18 1 0 8 2 1 0 9 27 1 0 10 9 1 0 11 1 2 0 12 9 2 0 13 10 1 0 14 10 2 0 15 6 1 0 16 6 1 0 17 15 1 0 18 16 1 0 19 20 2 0 20 14 1 0 21 13 2 0 22 19 1 0 23 7 1 0 24 3 1 0 25 4 1 0 26 23 1 0 27 26 1 0 28 29 1 0 29 24 2 0 2 4 1 0 25 28 2 0 7 17 1 0 19 21 1 0 M END > 52719 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 6.4900 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 2.1812 2.6271 0.0000 C 0 0 7.4536 10.3739 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.0553 6.0958 0.0000 N 0 0 8.9225 10.6823 0.0000 C 0 0 6.9854 8.9480 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 6.6532 11.2680 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 9.3925 12.1068 0.0000 C 0 0 9.9212 9.5631 0.0000 C 0 0 7.9879 7.8322 0.0000 C 0 0 5.5178 8.6377 0.0000 C 0 0 7.5228 6.4061 0.0000 C 0 0 5.0528 7.2117 0.0000 C 0 0 11.8598 11.2927 0.0000 C 0 0 11.3898 9.8683 0.0000 C 0 0 10.8612 12.4120 0.0000 C 0 0 13.0347 11.5369 0.0000 F 0 0 -1.0028 1.5132 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 1 1 0 6 10 1 0 7 3 1 0 8 26 1 0 9 6 1 0 10 17 1 0 11 5 2 0 12 6 2 0 13 5 1 0 14 9 2 0 15 9 1 0 16 18 1 0 17 19 1 0 18 8 1 0 19 8 1 0 20 21 1 0 21 15 2 0 22 14 1 0 23 20 1 0 24 3 2 0 25 13 1 0 26 25 1 0 27 7 2 0 28 24 1 0 29 28 2 0 7 4 1 0 27 29 1 0 16 10 1 0 22 20 2 0 M END > 17954 > J. Med. Chem. 37(15)-1994 2308-2314 > D2 > 6.5442 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -0.2419 0.7054 0.0000 C 0 0 0.2217 -0.7054 0.0000 C 0 0 0.9876 1.5922 0.0000 C 0 0 2.1968 0.6852 0.0000 C 0 0 -0.9876 -1.5720 0.0000 S 0 0 1.7333 -0.7256 0.0000 C 0 0 6.1636 0.5486 0.0000 N 0 0 9.0287 1.4383 0.0000 N 0 0 -1.7333 0.7457 0.0000 C 0 0 -2.1968 -0.7054 0.0000 C 0 0 0.9987 2.7921 0.0000 O 0 0 14.0985 0.2819 0.0000 C 0 0 15.5327 0.7240 0.0000 C 0 0 3.6287 1.1268 0.0000 C 0 0 13.8316 -0.8881 0.0000 O 0 0 16.6342 -0.2942 0.0000 C 0 0 15.8639 2.1870 0.0000 C 0 0 4.7294 0.1065 0.0000 C 0 0 7.2652 -0.4695 0.0000 C 0 0 6.4947 2.0117 0.0000 C 0 0 8.6977 -0.0247 0.0000 C 0 0 7.9272 2.4565 0.0000 C 0 0 18.3979 1.6136 0.0000 C 0 0 18.0668 0.1506 0.0000 C 0 0 17.2964 2.6318 0.0000 C 0 0 19.5439 1.9694 0.0000 F 0 0 10.4630 1.8804 0.0000 C 0 0 11.5636 0.8601 0.0000 C 0 0 12.9978 1.3022 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 2 1 0 7 18 1 0 8 22 1 0 9 1 1 0 10 9 2 0 11 3 2 0 12 29 1 0 13 12 1 0 14 4 1 0 15 12 2 0 16 13 1 0 17 13 2 0 18 14 1 0 19 7 1 0 20 7 1 0 21 19 1 0 22 20 1 0 23 25 2 0 24 16 2 0 25 17 1 0 26 23 1 0 27 8 1 0 28 27 1 0 29 28 1 0 5 10 1 0 6 4 1 0 21 8 1 0 24 23 1 0 M END > 52723 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 6.5800 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.6405 0.8968 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 -1.9399 0.8968 0.0000 O 0 0 3.1973 3.8254 0.0000 C 0 0 -1.9399 -2.0863 0.0000 O 0 0 -0.6588 -1.3543 0.0000 C 0 0 -5.8574 0.1422 0.0000 N 0 0 -9.7494 -2.1184 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -8.4506 -1.3664 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 2.5936 4.8625 0.0000 O 0 0 -9.7476 -3.3184 0.0000 O 0 0 -4.5586 0.8943 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 -8.4555 0.1336 0.0000 C 0 0 -7.1491 -2.1121 0.0000 C 0 0 -7.1590 0.8879 0.0000 C 0 0 -5.8525 -1.3578 0.0000 C 0 0 4.6981 3.8312 0.0000 O 0 0 -11.0506 -1.3704 0.0000 O 0 0 -12.3494 -2.1224 0.0000 C 0 0 5.2947 4.8724 0.0000 C 0 0 -13.3898 -1.5243 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 6 1 0 5 1 2 0 6 1 1 0 7 5 1 0 8 2 1 0 9 10 1 0 10 5 1 0 11 18 1 0 12 14 1 0 13 7 1 0 14 22 1 0 15 6 2 0 16 8 2 0 17 12 2 0 18 13 1 0 19 15 1 0 20 9 1 0 21 23 1 0 22 24 1 0 23 11 1 0 24 11 1 0 25 8 1 0 26 12 1 0 27 26 1 0 28 25 1 0 29 27 1 0 4 2 1 0 10 19 2 0 13 20 1 0 21 14 1 0 M END > 10924 > J. Med. Chem. 35(16)-1992 3058-3066 > D2 > 6.5935 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 1.9399 0.1464 0.0000 N 0 0 0.6405 0.8968 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 0.9517 2.3608 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 0.6405 -2.0863 0.0000 N 0 0 3.0746 1.1530 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 7.5397 4.2022 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 5.5423 1.9638 0.0000 N 0 0 8.5390 5.3220 0.0000 C 0 0 4.5407 0.8460 0.0000 C 0 0 2.9760 -1.9598 0.0000 O 0 0 6.0711 4.5076 0.0000 C 0 0 8.0096 2.7777 0.0000 C 0 0 8.0714 6.7473 0.0000 C 0 0 7.0109 1.6586 0.0000 C 0 0 5.0724 3.3884 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 6.6031 7.0582 0.0000 O 0 0 -1.9399 -2.0863 0.0000 C 0 0 10.0071 5.0144 0.0000 C 0 0 9.0719 7.8649 0.0000 C 0 0 6.2307 8.1990 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 11.0076 6.1320 0.0000 C 0 0 10.5400 7.5573 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 2 1 0 6 3 1 0 7 1 1 0 8 6 1 0 9 15 1 0 10 7 1 0 11 13 1 0 12 9 1 0 13 7 1 0 14 3 2 0 15 19 1 0 16 18 1 0 17 12 1 0 18 11 1 0 19 11 1 0 20 5 2 0 21 17 1 0 22 8 2 0 23 12 2 0 24 17 2 0 25 21 1 0 26 20 1 0 27 22 1 0 28 23 1 0 29 28 2 0 10 4 1 0 5 8 1 0 9 16 1 0 26 27 2 0 24 29 1 0 M END > 45682 > J. Med. Chem. 41(17)-1998 3128-3141 > D2 > 6.6216 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 10.4614 7.0147 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 11.9307 7.3201 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 7.5241 6.4042 0.0000 N 0 0 9.9914 5.5902 0.0000 C 0 0 9.4627 8.1339 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 12.9313 6.2024 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 7.9941 7.8286 0.0000 C 0 0 8.5228 5.2849 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 12.4663 4.7754 0.0000 O 0 0 6.0553 6.0958 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 12.3985 8.7453 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 14.3994 6.5100 0.0000 C 0 0 13.2680 3.8825 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 13.8667 9.0529 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 14.8671 7.9352 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 10 1 0 6 1 1 0 7 5 1 0 8 3 1 0 9 19 1 0 10 16 1 0 11 15 1 0 12 6 2 0 13 7 2 0 14 6 1 0 15 9 1 0 16 9 1 0 17 3 2 0 18 13 1 0 19 20 1 0 20 22 1 0 21 7 1 0 22 14 1 0 23 8 2 0 24 13 1 0 25 18 1 0 26 17 1 0 27 21 2 0 28 26 2 0 29 27 1 0 8 4 1 0 23 28 1 0 11 5 1 0 24 29 2 0 M END > 17944 > J. Med. Chem. 37(15)-1994 2308-2314 > D2 > 6.7144 $$$$ SciTegic07090714462D 29 31 0 0 0 0 999 V2000 -1.2926 3.7495 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0048 2.9950 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -2.5973 1.5030 0.0000 C 0 0 -1.2885 4.9495 0.0000 O 0 0 -3.8934 3.7569 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.3074 3.7406 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 2.5965 -3.0004 0.0000 C 0 0 2.3447 3.1374 0.0000 C 0 0 1.3115 4.9406 0.0000 C 0 0 2.3486 4.3372 0.0000 C 0 0 -5.1961 3.0132 0.0000 C 0 0 -3.8863 5.2570 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 4.9457 1.3452 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -6.4915 3.7694 0.0000 C 0 0 -5.1817 6.0132 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -6.4843 5.2694 0.0000 C 0 0 2 1 1 0 3 11 1 0 4 1 1 0 5 7 1 0 6 3 1 0 7 2 1 0 8 1 2 0 9 2 1 0 10 14 1 0 11 15 1 0 12 4 1 0 13 6 1 0 14 5 1 0 15 5 1 0 16 13 1 0 17 6 2 0 18 12 1 0 19 12 1 0 20 12 1 0 21 9 2 0 22 9 1 0 23 13 2 0 24 16 1 0 25 17 1 0 26 21 1 0 27 22 2 0 28 25 2 0 29 27 1 0 29 26 2 0 10 3 1 0 23 28 1 0 M END > 36497 > J. Med. Chem. 40(8)-1997 1252-1257 > D2 > 6.7545 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 7.4507 10.3748 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 8.8515 10.7972 0.0000 N 0 0 6.5663 11.5633 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 6.9854 8.9480 0.0000 N 0 0 8.8653 12.2998 0.0000 S 0 0 1.7138 -1.2033 0.0000 S 0 0 2.1812 2.6271 0.0000 C 0 0 7.4481 12.7705 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.0553 6.0958 0.0000 N 0 0 7.9879 7.8322 0.0000 C 0 0 5.5178 8.6377 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 7.5228 6.4061 0.0000 C 0 0 5.0528 7.2117 0.0000 C 0 0 5.0693 11.7085 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 6.8545 14.1524 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.4610 13.1011 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 5.3428 14.3083 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 7 1 0 3 1 2 0 4 2 2 0 5 2 1 0 6 1 1 0 7 15 1 0 8 4 1 0 9 3 1 0 10 1 1 0 11 5 2 0 12 6 1 0 13 23 1 0 14 18 1 0 15 19 1 0 16 10 2 0 17 10 1 0 18 13 1 0 19 13 1 0 20 5 1 0 21 6 2 0 22 17 1 0 23 22 1 0 24 11 1 0 25 12 2 0 26 20 2 0 27 21 1 0 28 26 1 0 29 27 2 0 12 9 1 0 25 29 1 0 14 7 1 0 11 8 1 0 28 24 2 0 M END > 17936 > J. Med. Chem. 37(15)-1994 2308-2314 > D2 > 6.7721 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 N 0 0 5.6023 -9.4959 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 3.5900 -2.1568 0.0000 C 0 0 5.0014 -2.6256 0.0000 O 0 0 4.9738 -4.1254 0.0000 C 0 0 5.4127 -10.9847 0.0000 C 0 0 5.9811 -6.5199 0.0000 N 0 0 3.1497 -0.7220 0.0000 C 0 0 2.6797 -3.3330 0.0000 C 0 0 3.5389 -4.5625 0.0000 C 0 0 6.9856 -8.9160 0.0000 C 0 0 4.4083 -8.5879 0.0000 C 0 0 6.1676 -5.0307 0.0000 C 0 0 2.2896 1.8259 0.0000 O 0 0 4.0303 -11.5670 0.0000 C 0 0 7.1750 -7.4280 0.0000 C 0 0 4.5977 -7.0999 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 2.8324 -10.6628 0.0000 O 0 0 0.0000 1.7286 0.0000 C 0 0 6.6081 -11.8909 0.0000 C 0 0 3.8433 -13.0552 0.0000 C 0 0 1.7271 -11.1302 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 6.4211 -13.3792 0.0000 C 0 0 5.0386 -13.9614 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 13 1 0 3 1 1 0 4 9 1 0 5 4 1 0 6 5 1 0 7 2 1 0 8 14 1 0 9 1 1 0 10 4 2 0 11 10 1 0 12 17 1 0 13 18 1 0 14 6 1 0 15 3 2 0 16 7 1 0 17 8 1 0 18 8 1 0 19 1 1 0 20 16 1 0 21 3 1 0 22 7 2 0 23 16 2 0 24 20 1 0 25 19 1 0 26 21 1 0 27 22 1 0 28 27 2 0 29 25 1 0 29 26 1 0 6 11 2 0 2 12 1 0 28 23 1 0 M END > 26499 > J. Med. Chem. 38(21)-1995 4198-4210 > D2 > 6.7773 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 0.0000 -0.2531 0.0000 C 0 0 -0.7088 -1.6031 0.0000 N 0 0 2.5144 -2.3288 0.0000 C 0 0 1.3669 0.0675 0.0000 S 0 0 1.3669 -3.2907 0.0000 C 0 0 6.1141 -11.4514 0.0000 C 0 0 2.5144 -0.8438 0.0000 C 0 0 1.7058 -4.7526 0.0000 N 0 0 0.0000 -2.9532 0.0000 C 0 0 4.7193 -10.9353 0.0000 N 0 0 6.0360 -12.9494 0.0000 N 0 0 2.4853 -7.6518 0.0000 N 0 0 -1.1813 0.7931 0.0000 C 0 0 -2.2275 -1.3838 0.0000 C 0 0 3.8307 -3.0713 0.0000 C 0 0 -2.4638 0.0675 0.0000 C 0 0 7.1164 -10.7916 0.0000 O 0 0 4.3275 -9.4866 0.0000 C 0 0 3.1571 -5.1420 0.0000 C 0 0 0.6477 -5.8151 0.0000 C 0 0 3.8307 0.0000 0.0000 C 0 0 2.8771 -9.1006 0.0000 C 0 0 3.5457 -6.5908 0.0000 C 0 0 1.0363 -7.2639 0.0000 C 0 0 5.1469 -2.3288 0.0000 C 0 0 4.5872 -13.3380 0.0000 C 0 0 5.1469 -0.8438 0.0000 C 0 0 3.7699 -12.0802 0.0000 C 0 0 6.1831 -2.9340 0.0000 Cl 0 0 2 1 1 0 3 7 1 0 4 1 1 0 5 9 1 0 6 10 1 0 7 4 1 0 8 5 1 0 9 2 1 0 10 18 1 0 11 6 1 0 12 24 1 0 13 1 2 0 14 2 1 0 15 3 2 0 16 13 1 0 17 6 2 0 18 22 1 0 19 8 1 0 20 8 1 0 21 7 2 0 22 12 1 0 23 19 1 0 24 20 1 0 25 27 2 0 26 28 1 0 27 21 1 0 28 10 1 0 29 25 1 0 16 14 2 0 3 5 1 0 25 15 1 0 12 23 1 0 11 26 1 0 M END > 116423 > J. Med. Chem. 47(1)-2004 143-157 > D2 > 6.9031 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 -13.0041 -0.7722 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -14.3029 -1.5242 0.0000 O 0 0 -13.0060 0.4278 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -11.7030 -1.5202 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -15.6041 -0.7762 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 -16.9033 -1.5259 0.0000 C 0 0 -15.6039 0.7239 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -16.9028 1.4741 0.0000 C 0 0 -18.2022 -0.7757 0.0000 C 0 0 -18.2020 0.7243 0.0000 C 0 0 2 11 1 0 3 12 1 0 4 10 1 0 5 1 1 0 6 1 1 0 7 5 2 0 8 2 1 0 9 2 2 0 10 6 1 0 11 16 1 0 12 6 1 0 13 4 1 0 14 4 1 0 15 8 1 0 16 22 1 0 17 13 1 0 18 14 1 0 19 18 1 0 20 5 1 0 21 7 1 0 22 19 1 0 23 15 1 0 24 15 2 0 25 20 2 0 26 25 1 0 27 24 1 0 28 23 2 0 29 27 2 0 3 7 1 0 26 21 2 0 19 17 1 0 29 28 1 0 M END > 60693 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 7.2840 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -7.7296 14.2988 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -6.4266 15.0317 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -8.8240 15.3147 0.0000 O 0 0 -6.7265 16.4947 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 -8.2202 16.6585 0.0000 C 0 0 -7.7623 12.7951 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 -5.1245 14.2790 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -6.4527 12.0265 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 F 0 0 -5.1483 12.7594 0.0000 C 0 0 -3.8775 6.0115 0.0000 N 0 0 -2.5812 5.2552 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -5.1681 8.2686 0.0000 C 0 0 -5.1622 9.7694 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 14 1 0 6 12 1 0 7 1 1 0 8 16 1 0 9 2 1 0 10 5 1 0 11 8 1 0 12 7 2 0 13 10 1 0 14 18 2 0 15 4 2 0 16 22 2 0 17 4 1 0 18 26 1 0 19 3 1 0 20 17 1 0 21 12 1 0 22 18 1 0 23 24 1 0 24 27 1 0 25 23 1 0 26 29 1 0 27 19 1 0 28 25 1 0 29 28 1 0 3 6 2 0 9 20 1 0 8 5 2 0 13 11 1 0 M END > 45046 > J. Med. Chem. 41(15)-1998 2765-2778 > D2 > 7.3757 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.3077 13.1905 0.0000 C 0 0 3.1128 11.9511 0.0000 N 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 4.6521 13.7821 0.0000 S 0 0 3.2564 14.3456 0.0000 C 0 0 4.5219 12.2683 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 1.1095 13.2573 0.0000 O 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 3.9099 15.7155 0.0000 C 0 0 1.7735 14.5383 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 1.4847 16.0168 0.0000 C 0 0 2.8106 16.7455 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 5 1 0 5 19 1 0 6 1 1 0 7 2 1 0 8 10 1 0 9 4 1 0 10 5 1 0 11 3 2 0 12 17 1 0 13 4 2 0 14 6 1 0 15 6 1 0 16 14 1 0 17 15 1 0 18 3 1 0 19 24 1 0 20 12 1 0 21 9 1 0 22 9 1 0 23 11 1 0 24 25 1 0 25 20 1 0 26 18 2 0 27 22 1 0 28 21 1 0 29 26 1 0 7 11 1 0 16 12 1 0 23 29 2 0 8 9 1 0 27 28 1 0 M END > 33339 > J. Med. Chem. 39(20)-1996 4044-4057 > D2 > 7.7959 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -5.1820 6.0160 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -5.1747 7.5168 0.0000 N 0 0 -3.8864 5.2585 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.9046 0.7483 0.0000 O 0 0 -3.8915 3.7585 0.0000 C 0 0 -6.2243 5.4214 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -5.1602 9.5864 0.0000 C 0 0 -6.2283 8.5332 0.0000 C 0 0 -4.1070 8.5184 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 5.2066 1.4948 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 5.2111 2.6948 0.0000 C 0 0 6.2438 0.8913 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2 12 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 5 2 0 7 14 1 0 8 6 1 0 9 4 2 0 10 1 2 0 11 15 1 0 12 16 1 0 13 9 1 0 14 13 1 0 15 7 1 0 16 7 1 0 17 19 1 0 18 3 1 0 19 3 1 0 20 4 1 0 21 8 1 0 22 6 1 0 23 5 1 0 24 20 2 0 25 24 1 0 26 21 1 0 27 21 1 0 28 29 1 0 29 23 2 0 17 18 1 0 25 13 2 0 11 2 1 0 28 22 2 0 M END > 43850 > J. Med. Chem. 41(12)-1998 1997-2009 > D2 > 7.8861 $$$$ SciTegic07090714462D 29 31 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.2878 -5.2708 0.0000 N 0 0 -8.7412 -16.5558 0.0000 C 0 0 -7.4562 -12.7980 0.0000 O 0 0 -0.9971 -3.0138 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5842 -6.0270 0.0000 C 0 0 -8.7469 -15.0550 0.0000 C 0 0 -7.4505 -14.2988 0.0000 C 0 0 -6.1598 -12.0418 0.0000 C 0 0 -10.0358 -17.3135 0.0000 C 0 0 -7.4377 -17.2983 0.0000 C 0 0 -3.5785 -7.5278 0.0000 C 0 0 -6.1655 -10.5410 0.0000 C 0 0 -4.8691 -9.7848 0.0000 C 0 0 -4.8749 -8.2840 0.0000 C 0 0 -7.4290 -18.7982 0.0000 C 0 0 -10.0270 -18.8134 0.0000 C 0 0 -8.7236 -19.5558 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 1 1 0 5 3 1 0 6 1 2 0 7 3 2 0 8 2 2 0 9 6 1 0 10 9 2 0 11 6 1 0 12 16 1 0 13 18 1 0 14 20 1 0 15 7 1 0 16 15 1 0 17 12 1 0 18 19 1 0 19 14 1 0 20 24 1 0 21 13 2 0 22 13 1 0 23 17 1 0 24 25 1 0 25 26 1 0 26 23 1 0 27 22 2 0 28 21 1 0 29 27 1 0 5 2 1 0 7 10 1 0 29 28 2 0 M END > 122850 > J. Med. Chem. 41(25)-1998 4915-4917 > D2 > 8.0453 $$$$ SciTegic07090714462D 29 33 0 0 0 0 999 V2000 -13.0324 -0.9109 0.0000 C 0 0 -11.7030 -1.5202 0.0000 N 0 0 -14.0432 -2.0102 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -13.3040 -3.3097 0.0000 C 0 0 -11.8425 -3.0028 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -13.2694 0.2654 0.0000 O 0 0 -10.4041 -0.7681 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -15.5469 -1.9847 0.0000 C 0 0 -14.0506 -4.6153 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -16.3094 -3.2993 0.0000 C 0 0 -15.5702 -4.5988 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 10 1 0 5 3 2 0 6 2 1 0 7 15 1 0 8 17 1 0 9 4 1 0 10 14 1 0 11 7 1 0 12 1 2 0 13 2 1 0 14 8 1 0 15 10 1 0 16 20 1 0 17 21 1 0 18 13 1 0 19 18 1 0 20 19 1 0 21 19 1 0 22 3 1 0 23 5 1 0 24 9 1 0 25 11 1 0 26 22 2 0 27 26 1 0 28 24 2 0 29 25 2 0 6 5 1 0 23 27 2 0 8 16 1 0 11 9 2 0 28 29 1 0 M END > 60705 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 8.4202 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 -11.7731 1.3603 0.0000 C 0 0 -10.4109 0.7361 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -12.7745 0.2223 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.5306 -0.7335 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -12.0087 -1.0501 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -12.0230 2.5340 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -9.1121 1.4882 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 -14.2375 -0.0702 0.0000 C 0 0 -12.9949 -2.1640 0.0000 C 0 0 -14.3667 -1.5880 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.9177 2.9974 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 2.3396 3.5967 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -5.2197 3.7439 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2241 4.9438 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 1 1 0 5 9 1 0 6 2 1 0 7 13 1 0 8 4 1 0 9 14 1 0 10 7 1 0 11 1 2 0 12 3 2 0 13 9 1 0 14 24 1 0 15 2 1 0 16 12 1 0 17 4 1 0 18 8 1 0 19 17 1 0 20 21 1 0 21 10 2 0 22 12 1 0 23 14 1 0 24 28 1 0 25 16 1 0 26 15 1 0 27 23 1 0 28 26 1 0 29 27 1 0 6 8 1 0 18 19 1 0 3 10 1 0 22 20 2 0 M END > 17018 > J. Med. Chem. 37(12)-1994 1779-1793 > D2 > 8.5229 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.0186 0.7828 0.0000 C 0 0 -0.8574 -0.4287 0.0000 N 0 0 1.4351 -1.1556 0.0000 N 0 0 1.4351 0.3168 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 0.3168 3.8022 0.0000 N 0 0 -2.3581 -0.4287 0.0000 C 0 0 -1.8846 8.5126 0.0000 C 0 0 -1.7556 10.0079 0.0000 C 0 0 2.4072 1.0204 0.0000 O 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -2.9717 8.0045 0.0000 O 0 0 -2.9836 10.8694 0.0000 C 0 0 -0.3956 10.6408 0.0000 C 0 0 -1.4917 12.9964 0.0000 C 0 0 -0.2637 12.1350 0.0000 C 0 0 -2.8517 12.3635 0.0000 C 0 0 -1.3861 14.1917 0.0000 F 0 0 0.4462 5.2971 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 -3.1980 -1.6656 0.0000 C 0 0 -3.0072 0.9255 0.0000 C 0 0 -4.6940 -1.5554 0.0000 C 0 0 -4.5032 1.0356 0.0000 C 0 0 -5.3465 -0.2048 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 2 1 0 6 1 1 0 7 1 1 0 8 13 1 0 9 2 1 0 10 24 1 0 11 10 1 0 12 4 2 0 13 7 1 0 14 6 1 0 15 10 2 0 16 11 2 0 17 11 1 0 18 19 1 0 19 17 2 0 20 16 1 0 21 18 1 0 22 8 1 0 23 22 1 0 24 23 1 0 25 9 1 0 26 9 1 0 27 25 1 0 28 26 1 0 29 28 1 0 14 8 1 0 5 3 1 0 29 27 1 0 20 18 2 0 M END > 48826 > J. Med. Chem. 41(25)-1998 5084-5093 > D2 > 9.1549 $$$$ SciTegic07090714462D 29 32 0 0 0 0 999 V2000 0.0186 0.7828 0.0000 C 0 0 1.4351 -1.1556 0.0000 N 0 0 0.0186 -1.6401 0.0000 N 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 0.3168 3.8022 0.0000 N 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 2.6560 -2.0283 0.0000 C 0 0 -2.0574 -0.4287 0.0000 O 0 0 -1.8846 8.5126 0.0000 C 0 0 -1.7556 10.0079 0.0000 C 0 0 -2.9717 8.0045 0.0000 O 0 0 -2.9836 10.8694 0.0000 C 0 0 -0.3956 10.6408 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 1.5656 2.8889 0.0000 C 0 0 -1.4917 12.9964 0.0000 C 0 0 -0.2637 12.1350 0.0000 C 0 0 -2.8517 12.3635 0.0000 C 0 0 -1.3861 14.1917 0.0000 F 0 0 0.4462 5.2971 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 2.6130 -3.5231 0.0000 C 0 0 3.9750 -1.3106 0.0000 C 0 0 5.2523 -2.0969 0.0000 C 0 0 3.8904 -4.3094 0.0000 C 0 0 5.2101 -3.5963 0.0000 C 0 0 2 5 1 0 3 4 1 0 4 1 1 0 5 1 1 0 6 17 1 0 7 1 1 0 8 1 1 0 9 2 1 0 10 4 2 0 11 24 1 0 12 11 1 0 13 11 2 0 14 12 1 0 15 12 2 0 16 7 1 0 17 8 1 0 18 19 2 0 19 15 1 0 20 14 2 0 21 18 1 0 22 6 1 0 23 22 1 0 24 23 1 0 25 9 2 0 26 9 1 0 27 26 2 0 28 25 1 0 29 27 1 0 6 16 1 0 2 3 1 0 28 29 2 0 20 18 1 0 M END > 49918 > J. Med. Chem. 42(3)-1999 490-496 > D2 > 10.2218 $$$$ SciTegic07090714462D 29 32 0 0 1 0 999 V2000 -0.4499 1.7455 0.0000 N 0 0 5.7320 0.9265 0.0000 C 0 0 4.4932 0.0791 0.0000 C 0 0 7.0858 0.2806 0.0000 C 0 0 0.0900 -0.9627 0.0000 C 0 0 1 0 0 0 -0.6658 0.3689 0.0000 C 0 0 2 0 0 0 3.1396 0.7273 0.0000 N 0 0 1.9164 -0.1080 0.0000 C 0 0 1 0 0 0 0.7198 -0.2249 0.0000 C 0 0 1.2776 -1.5565 0.0000 C 0 0 -0.4577 3.2129 0.0000 C 0 0 4.5852 -1.1174 0.0000 O 0 0 8.3221 1.1300 0.0000 C 0 0 7.2065 -1.2154 0.0000 O 0 0 5.6145 2.4219 0.0000 C 0 0 -1.7614 3.9563 0.0000 C 0 0 9.6780 0.4865 0.0000 O 0 0 -1.2596 -1.0167 0.0000 C 0 0 -1.9434 -0.3059 0.0000 C 0 0 6.8508 3.2714 0.0000 C 0 0 -2.2493 -1.7275 0.0000 C 0 0 8.2046 2.6254 0.0000 C 0 0 8.2903 -1.7306 0.0000 C 0 0 -1.7719 5.4563 0.0000 C 0 0 -3.0554 3.1974 0.0000 C 0 0 10.6661 1.1674 0.0000 C 0 0 -3.0761 6.1973 0.0000 C 0 0 -4.3596 3.9384 0.0000 C 0 0 -4.3699 5.4384 0.0000 C 0 0 2 3 1 0 3 7 1 0 4 2 1 0 5 1 1 1 6 1 1 6 8 7 1 6 8 9 1 0 9 6 1 0 10 5 1 0 11 1 1 0 12 3 2 0 13 4 2 0 14 4 1 0 15 2 2 0 16 11 1 0 17 13 1 0 18 5 1 0 19 6 1 0 20 15 1 0 21 19 1 0 22 20 2 0 23 14 1 0 24 16 1 0 25 16 2 0 26 17 1 0 27 24 2 0 28 25 1 0 29 28 2 0 8 10 1 0 21 18 1 0 29 27 1 0 13 22 1 0 M END > 73346 > J. Med. Chem. 36(23)-1993 3707-3720 > D2 > 10.4202 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 7.7772 -9.7643 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 6.4703 -12.0099 0.0000 C 0 0 9.0684 -12.0189 0.0000 C 0 0 9.0736 -10.5189 0.0000 C 0 0 6.4755 -10.5099 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 7.7668 -12.7644 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 7.7626 -13.9644 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 7.7793 -8.2635 0.0000 C 0 0 -4.0476 2.9835 0.0000 C 0 0 -5.2594 0.8807 0.0000 C 0 0 3.8890 -3.0026 0.0000 C 0 0 6.4811 -7.5104 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 6.4832 -6.0096 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 -5.5150 3.2942 0.0000 C 0 0 -6.2640 1.9946 0.0000 C 0 0 2 1 2 0 3 6 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 21 1 0 8 3 1 0 9 4 2 0 10 1 1 0 11 6 1 0 12 15 1 0 13 14 1 0 14 7 1 0 15 7 1 0 16 18 1 0 17 12 1 0 18 11 2 0 19 17 1 0 20 16 1 0 21 25 1 0 22 10 1 0 23 10 1 0 24 20 1 0 25 27 1 0 26 24 1 0 27 28 1 0 28 26 1 0 29 22 1 0 30 23 1 0 3 4 1 0 29 30 1 0 8 16 2 0 17 13 1 0 M END > 8448 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 4.6778 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 7.7793 -8.2635 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 10.3775 -8.2635 0.0000 C 0 0 9.0784 -10.5135 0.0000 C 0 0 7.7794 -9.7635 0.0000 C 0 0 9.0785 -7.5135 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 10.3774 -9.7635 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 11.4167 -10.3636 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 6.4811 -7.5104 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 3.8890 -3.0026 0.0000 C 0 0 6.4832 -6.0096 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 6 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 21 1 0 8 3 1 0 9 4 2 0 10 1 1 0 11 6 1 0 12 15 1 0 13 14 1 0 14 7 1 0 15 7 1 0 16 18 1 0 17 12 1 0 18 11 2 0 19 17 1 0 20 16 1 0 21 25 1 0 22 10 1 0 23 10 1 0 24 20 1 0 25 27 1 0 26 24 1 0 27 26 1 0 28 23 1 0 29 22 1 0 30 28 1 0 3 4 1 0 30 29 1 0 8 16 2 0 13 17 1 0 M END > 8449 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 4.9208 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 11.6941 1.4828 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 12.9933 3.7328 0.0000 C 0 0 14.2923 1.4828 0.0000 C 0 0 12.9932 0.7328 0.0000 C 0 0 11.6942 2.9829 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 14.2923 2.9828 0.0000 C 0 0 15.3315 3.5828 0.0000 O 0 0 3.8942 1.4964 0.0000 O 0 0 10.3928 0.7351 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 3 1 0 8 21 1 0 9 6 1 0 10 1 1 0 11 5 2 0 12 15 1 0 13 14 1 0 14 8 1 0 15 8 1 0 16 7 2 0 17 16 1 0 18 12 1 0 19 18 1 0 20 16 1 0 21 25 1 0 22 10 2 0 23 10 1 0 24 20 1 0 25 27 1 0 26 24 1 0 27 26 1 0 28 23 2 0 29 22 1 0 30 28 1 0 6 5 1 0 30 29 2 0 9 17 2 0 18 13 1 0 M END > 8462 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.2291 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -6.4795 8.2672 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -5.1824 7.5124 0.0000 C 0 0 -5.1876 6.0124 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 -8.8321 8.7728 0.0000 N 0 0 -7.8341 7.6530 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 -6.6100 9.7488 0.0000 C 0 0 -8.0756 10.0680 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 4.9235 -5.8621 0.0000 Cl 0 0 2.5806 -7.2040 0.0000 Cl 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.8808 8.2579 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5844 7.5034 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5896 6.0034 0.0000 C 0 0 2 3 1 0 3 16 1 0 4 1 1 0 5 4 2 0 6 2 1 0 7 8 2 0 8 1 1 0 9 6 1 0 10 9 2 0 11 1 1 0 12 11 2 0 13 18 2 0 14 2 2 0 15 23 1 0 16 24 1 0 17 6 2 0 18 17 1 0 19 5 1 0 20 27 1 0 21 10 1 0 22 13 1 0 23 26 1 0 24 26 1 0 25 4 1 0 26 29 1 0 27 19 1 0 28 25 2 0 29 20 1 0 30 28 1 0 12 7 1 0 19 30 2 0 3 15 1 0 10 13 1 0 M END > 48815 > J. Med. Chem. 41(25)-1998 5070-5083 > D2 > 5.2400 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 5.2112 9.7463 0.0000 N 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 6.5103 11.9964 0.0000 C 0 0 3.9122 11.9964 0.0000 C 0 0 6.5103 10.4964 0.0000 C 0 0 3.9122 10.4964 0.0000 C 0 0 5.2113 12.7464 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 5.2113 13.9464 0.0000 O 0 0 5.2082 8.2455 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.9073 7.4969 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 3.9042 5.9961 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 4 1 0 6 2 2 0 7 19 1 0 8 1 2 0 9 2 1 0 10 4 1 0 11 13 1 0 12 14 1 0 13 7 1 0 14 7 1 0 15 12 1 0 16 6 1 0 17 9 1 0 18 15 1 0 19 25 1 0 20 21 1 0 21 9 2 0 22 10 2 0 23 10 1 0 24 17 1 0 25 27 1 0 26 24 1 0 27 26 1 0 28 22 1 0 29 23 2 0 30 29 1 0 5 6 1 0 20 16 2 0 30 28 2 0 15 11 1 0 M END > 8396 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.2924 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 -5.5782 11.0845 0.0000 C 0 0 0.3168 3.8022 0.0000 N 0 0 -5.5780 12.5476 0.0000 N 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -6.9715 10.5811 0.0000 C 0 0 -4.3466 10.2270 0.0000 N 0 0 -7.0126 12.9949 0.0000 S 0 0 -7.8726 11.7740 0.0000 C 0 0 0.0186 0.7828 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 -1.8846 8.5126 0.0000 N 0 0 -2.0023 3.8835 0.0000 O 0 0 2.6644 3.3712 0.0000 O 0 0 -4.4735 8.7323 0.0000 C 0 0 -2.9888 10.8644 0.0000 C 0 0 0.4462 5.2971 0.0000 O 0 0 -1.7579 10.0073 0.0000 C 0 0 -3.2425 7.8752 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 -7.5428 9.1899 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 -9.3670 11.6048 0.0000 C 0 0 -9.0518 9.0097 0.0000 C 0 0 1.4351 -1.1556 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 -9.9529 10.2026 0.0000 C 0 0 2 18 1 0 3 1 2 0 4 2 1 0 5 2 1 0 6 1 1 0 7 1 1 0 8 3 1 0 9 6 2 0 10 12 1 0 11 4 1 0 12 5 1 0 13 19 1 0 14 5 2 0 15 4 2 0 16 7 1 0 17 7 1 0 18 21 1 0 19 17 1 0 20 16 1 0 21 23 1 0 22 6 1 0 23 13 1 0 24 10 1 0 25 10 1 0 26 9 1 0 27 22 2 0 28 25 1 0 29 24 1 0 30 27 1 0 9 8 1 0 20 13 1 0 30 26 2 0 11 10 1 0 28 29 1 0 M END > 64534 > J. Med. Chem. 34(3)-1991 1068-1072 > D2 > 5.5686 $$$$ SciTegic07090714462D 30 35 0 0 1 0 999 V2000 -2.6109 7.4996 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8223 8.3657 0.0000 C 0 0 -1.4158 8.3424 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 N 0 0 0.3114 -2.9665 0.0000 N 0 0 -3.3527 9.7833 0.0000 C 0 0 -1.8578 9.7688 0.0000 C 0 0 2.4133 -1.7530 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.8032 -3.1233 0.0000 C 0 0 0.7500 -0.7205 0.0000 C 0 0 -4.9632 7.9938 0.0000 O 0 0 -0.2798 7.9558 0.0000 O 0 0 -0.7500 -0.7205 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -4.1059 11.0852 0.0000 C 0 0 -1.0796 11.0558 0.0000 C 0 0 3.9040 -1.5957 0.0000 C 0 0 2.6838 -4.3363 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.8325 12.3759 0.0000 C 0 0 -3.3275 12.3904 0.0000 C 0 0 4.7856 -2.8092 0.0000 C 0 0 4.1755 -4.1795 0.0000 C 0 0 2 6 1 0 3 13 1 0 4 1 1 0 5 1 1 0 6 7 1 1 7 20 1 0 8 3 1 0 9 4 1 0 10 5 1 0 11 2 1 0 12 7 1 1 13 12 1 0 14 11 2 0 15 6 1 0 16 4 2 0 17 5 2 0 18 12 1 0 19 1 1 0 20 26 1 0 21 9 1 0 22 10 1 0 23 11 1 0 24 14 1 0 25 19 1 0 26 25 1 0 27 22 2 0 28 21 2 0 29 23 2 0 30 29 1 0 9 10 2 0 28 27 1 0 15 18 1 0 3 2 2 0 14 8 1 0 30 24 2 0 M END > 69458 > J. Med. Chem. 36(10)-1993 1488-1495 > D2 > 5.5800 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 1.9598 0.0000 0.0000 N 0 0 7.8077 -8.0112 0.0000 N 0 0 1.3858 1.3858 0.0000 C 0 0 4.2127 -1.3038 0.0000 C 0 0 5.6931 -1.4468 0.0000 O 0 0 5.9999 -2.9151 0.0000 C 0 0 7.9542 -9.5048 0.0000 C 0 0 7.5148 -5.0254 0.0000 N 0 0 3.4641 -0.0030 0.0000 C 0 0 3.5870 -2.6531 0.0000 C 0 0 4.6983 -3.6606 0.0000 C 0 0 6.4416 -7.3916 0.0000 C 0 0 9.0273 -7.1379 0.0000 C 0 0 7.3652 -3.5321 0.0000 C 0 0 2.2343 2.2344 0.0000 O 0 0 6.7360 -10.3801 0.0000 C 0 0 8.8808 -5.6451 0.0000 C 0 0 6.2952 -5.8988 0.0000 C 0 0 1.3858 -1.3858 0.0000 C 0 0 5.3669 -9.7652 0.0000 O 0 0 0.0000 1.9598 0.0000 C 0 0 9.3213 -10.1223 0.0000 C 0 0 6.8849 -11.8727 0.0000 C 0 0 4.3934 -10.4668 0.0000 C 0 0 0.0000 -1.9598 0.0000 C 0 0 -1.3858 1.3858 0.0000 C 0 0 9.4701 -11.6149 0.0000 C 0 0 8.2519 -12.4901 0.0000 C 0 0 -1.9598 0.0000 0.0000 C 0 0 -1.3858 -1.3858 0.0000 C 0 0 2 12 1 0 3 1 1 0 4 9 1 0 5 4 1 0 6 5 1 0 7 2 1 0 8 14 1 0 9 1 1 0 10 4 2 0 11 10 1 0 12 18 1 0 13 17 1 0 14 6 1 0 15 3 2 0 16 7 1 0 17 8 1 0 18 8 1 0 19 1 1 0 20 16 1 0 21 3 1 0 22 7 2 0 23 16 2 0 24 20 1 0 25 19 1 0 26 21 1 0 27 22 1 0 28 27 2 0 29 30 1 0 30 25 1 0 29 26 1 0 6 11 2 0 13 2 1 0 23 28 1 0 M END > 26502 > J. Med. Chem. 38(21)-1995 4198-4210 > D2 > 5.8444 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -7.7625 9.7751 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -9.0603 10.5287 0.0000 C 0 0 -5.1681 8.2686 0.0000 N 0 0 -10.3625 9.7841 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -6.4616 10.5219 0.0000 C 0 0 -7.7662 8.2751 0.0000 C 0 0 -0.2489 3.5938 0.0000 O 0 0 -2.5870 3.7544 0.0000 N 0 0 -5.1644 9.7686 0.0000 C 0 0 -6.4690 7.5219 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 O 0 0 -3.8717 7.5123 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -9.0543 12.0287 0.0000 C 0 0 -11.6585 10.5393 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.3396 -3.5967 0.0000 C 0 0 -10.3503 12.7840 0.0000 C 0 0 -11.6523 12.0393 0.0000 C 0 0 2 11 1 0 3 1 1 0 4 1 2 0 5 3 1 0 6 2 1 0 7 18 1 0 8 6 1 0 9 4 1 0 10 14 1 0 11 15 1 0 12 5 2 0 13 5 1 0 14 7 1 0 15 7 1 0 16 1 1 0 17 9 1 0 18 21 1 0 19 4 1 0 20 3 1 0 21 26 1 0 22 19 1 0 23 16 2 0 24 6 2 0 25 8 2 0 26 13 1 0 27 23 1 0 28 17 1 0 29 24 1 0 30 29 2 0 9 27 2 0 20 22 1 0 2 10 1 0 25 30 1 0 M END > 32151 > J. Med. Chem. 39(16)-1996 3195-3202 > D2 > 6.0867 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -15.9054 3.2597 0.0000 N 0 0 -14.3121 1.4798 0.0000 C 0 0 -14.4376 2.9375 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -13.0109 0.7319 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 -15.6568 0.8584 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -11.7121 1.4840 0.0000 C 0 0 -10.4109 0.7361 0.0000 C 0 0 3.8926 1.4991 0.0000 C 0 0 -16.6572 1.9694 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -10.4090 -0.4639 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -9.1121 1.4882 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -16.1064 -0.5768 0.0000 C 0 0 -18.1315 1.6723 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -17.5943 -0.8861 0.0000 C 0 0 -18.5947 0.2249 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 13 1 0 5 2 1 0 6 11 3 0 7 12 2 0 8 23 1 0 9 5 2 0 10 9 1 0 11 17 1 0 12 1 1 0 13 8 1 0 14 18 1 0 15 4 2 0 16 10 2 0 17 15 1 0 18 20 1 0 19 14 2 0 20 8 1 0 21 10 1 0 22 19 1 0 23 27 1 0 24 7 1 0 25 12 1 0 26 21 1 0 27 28 1 0 28 26 1 0 29 30 1 0 30 25 2 0 2 7 1 0 24 29 2 0 4 14 1 0 17 22 2 0 M END > 58572 > J. Med. Chem. 43(9)-2000 1878-1885 > D2 > 6.1000 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 0.8944 2.4276 0.0000 S 0 0 -0.9674 2.4458 0.0000 N 0 0 1.2777 0.9674 0.0000 C 0 0 -1.2594 0.9674 0.0000 C 0 0 0.0000 0.2373 0.0000 C 0 0 -8.8287 3.5115 0.0000 N 0 0 2.0806 2.2465 0.0000 O 0 0 0.4290 3.5337 0.0000 O 0 0 -5.8882 4.1063 0.0000 N 0 0 -10.2997 3.2140 0.0000 C 0 0 -8.3512 4.9335 0.0000 C 0 0 -7.8361 2.3869 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 -1.9533 3.5688 0.0000 C 0 0 -10.7797 1.7928 0.0000 C 0 0 -11.2907 4.3401 0.0000 C 0 0 -6.8809 5.2308 0.0000 C 0 0 -6.3659 2.6843 0.0000 C 0 0 -3.4249 3.2743 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 -13.2412 2.6239 0.0000 C 0 0 -12.7614 4.0451 0.0000 C 0 0 -12.2504 1.4978 0.0000 C 0 0 -4.4166 4.4008 0.0000 C 0 0 -14.4178 2.3879 0.0000 O 0 0 -2.5371 -1.2229 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 1.2777 -1.9530 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 2 0 6 12 1 0 7 1 2 0 8 1 2 0 9 25 1 0 10 6 1 0 11 17 1 0 12 18 1 0 13 5 1 0 14 2 1 0 15 10 2 0 16 10 1 0 17 9 1 0 18 9 1 0 19 14 1 0 20 3 1 0 21 4 2 0 22 23 1 0 23 16 2 0 24 15 1 0 25 19 1 0 26 22 1 0 27 21 1 0 28 20 2 0 29 28 1 0 30 13 1 0 4 5 1 0 29 13 2 0 30 27 2 0 11 6 1 0 22 24 2 0 M END > 66529 > J. Med. Chem. 34(8)-1991 2477-2483 > D2 > 6.2941 $$$$ SciTegic07090714462D 30 34 0 0 1 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2 0 0 0 6.4370 9.4164 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 1 0 0 0 2.1749 2.6315 0.0000 N 0 0 5.0531 8.8715 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 6.3279 10.9124 0.0000 N 0 0 2.8877 5.5424 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 7.4528 8.7775 0.0000 O 0 0 4.6914 7.4149 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 3.2494 6.9990 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 4.8714 11.2709 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 4.0803 9.9965 0.0000 C 0 0 3.8070 -6.4988 0.0000 F 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 7 1 0 3 1 1 0 4 3 2 0 5 8 1 0 1 6 1 6 7 13 1 0 8 1 1 0 9 2 1 0 10 20 1 0 5 11 1 1 12 2 2 0 13 18 1 0 14 6 1 0 15 6 1 0 16 11 1 0 17 11 2 0 18 10 1 0 19 14 1 0 20 15 1 0 21 24 2 0 22 25 1 0 23 16 2 0 24 17 1 0 25 7 1 0 26 21 1 0 27 3 1 0 28 4 1 0 29 27 2 0 30 29 1 0 4 5 1 0 10 19 1 0 30 28 2 0 21 23 1 0 22 9 1 0 M END > 140601 > J. Med. Chem. 37(7)-1994 950-962 > D2 > 6.3979 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 8.9224 10.6823 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 9.3877 12.1091 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 7.9923 7.8301 0.0000 N 0 0 7.4549 10.3721 0.0000 C 0 0 9.9249 9.5665 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 8.3870 13.2266 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 9.4598 8.1405 0.0000 C 0 0 6.9898 8.9460 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 6.9175 12.9216 0.0000 O 0 0 7.5241 6.4042 0.0000 C 0 0 10.8558 12.4172 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 8.8544 14.6520 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 6.1183 13.8167 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 11.3231 13.8425 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 10.3224 14.9599 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 10 1 0 6 1 1 0 7 5 1 0 8 3 1 0 9 19 1 0 10 16 1 0 11 15 1 0 12 6 2 0 13 7 2 0 14 6 1 0 15 9 1 0 16 9 1 0 17 3 2 0 18 13 1 0 19 25 1 0 20 7 1 0 21 8 2 0 22 13 1 0 23 14 1 0 24 18 1 0 25 26 1 0 26 23 1 0 27 17 1 0 28 20 2 0 29 27 2 0 30 28 1 0 8 4 1 0 21 29 1 0 11 5 1 0 22 30 2 0 M END > 17939 > J. Med. Chem. 37(15)-1994 2308-2314 > D2 > 6.5670 $$$$ SciTegic07090714462D 30 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -6.4855 8.2648 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -6.4834 9.7656 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -7.7798 10.5202 0.0000 C 0 0 -7.5258 7.6666 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 -5.1873 7.5117 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -7.7746 12.0202 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 -9.0702 12.7778 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -5.1817 10.5112 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -5.1765 12.0112 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -6.4730 12.7657 0.0000 C 0 0 4.9457 1.3452 0.0000 C 0 0 -9.0643 13.9777 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 11 1 0 3 1 1 0 4 13 1 0 5 2 1 0 6 1 1 0 7 1 1 0 8 5 2 0 9 2 2 0 10 3 2 0 11 22 1 0 12 6 1 0 13 7 1 0 14 8 1 0 15 10 1 0 16 14 1 0 17 4 1 0 18 5 1 0 19 3 1 0 20 18 2 0 21 10 1 0 22 27 1 0 23 20 1 0 24 15 1 0 25 16 1 0 26 17 1 0 27 28 1 0 28 26 1 0 29 19 2 0 30 29 1 0 4 12 1 0 30 21 2 0 23 14 2 0 M END > 107637 > J. Med. Chem. 45(26)-2002 5727-5735 > D2 > 6.5969 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 -6.2216 1.4644 0.0000 N 0 0 -8.8299 2.9467 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -14.0297 2.9022 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -15.3360 3.6411 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -14.0194 1.7023 0.0000 O 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -16.6300 2.8823 0.0000 C 0 0 -15.3464 5.1411 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -7.5156 0.7056 0.0000 C 0 0 -6.2319 2.9644 0.0000 C 0 0 -8.8197 1.4467 0.0000 C 0 0 -7.5360 3.7055 0.0000 C 0 0 -17.9444 5.1234 0.0000 C 0 0 -17.9341 3.6234 0.0000 C 0 0 -16.6505 5.8822 0.0000 C 0 0 -18.9877 5.7163 0.0000 F 0 0 -10.1363 3.6856 0.0000 C 0 0 -11.4298 2.9245 0.0000 C 0 0 -12.7361 3.6633 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 3 1 0 5 19 1 0 6 23 1 0 7 1 1 0 8 7 2 0 9 2 1 0 10 30 1 0 11 2 2 0 12 10 1 0 13 3 1 0 14 10 2 0 15 13 1 0 16 9 1 0 17 12 2 0 18 12 1 0 19 16 1 0 20 5 1 0 21 5 1 0 22 20 1 0 23 21 1 0 24 26 1 0 25 17 1 0 26 18 2 0 27 24 1 0 28 6 1 0 29 28 1 0 30 29 1 0 8 4 1 0 9 15 1 0 6 22 1 0 25 24 2 0 M END > 52726 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 6.6500 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 3.1497 -0.7220 0.0000 C 0 0 8.2497 -8.5817 0.0000 N 0 0 1.6852 -0.3846 0.0000 N 0 0 3.5900 -2.1568 0.0000 C 0 0 8.6821 -10.0188 0.0000 C 0 0 7.3852 -5.7089 0.0000 N 0 0 5.0513 -2.4957 0.0000 C 0 0 3.9674 0.1562 0.0000 O 0 0 6.7896 -8.2379 0.0000 C 0 0 9.2775 -7.4892 0.0000 C 0 0 7.6561 -11.1131 0.0000 C 0 0 5.4884 -3.9306 0.0000 C 0 0 6.9498 -4.2726 0.0000 C 0 0 8.8452 -6.0528 0.0000 C 0 0 6.3574 -6.8015 0.0000 C 0 0 6.1939 -10.7744 0.0000 O 0 0 1.3514 1.0778 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 2.5660 -3.2530 0.0000 C 0 0 3.0032 -4.6878 0.0000 C 0 0 10.1427 -10.3605 0.0000 C 0 0 4.4644 -5.0266 0.0000 C 0 0 8.0906 -12.5488 0.0000 C 0 0 5.3744 -11.6509 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 10.5773 -11.7962 0.0000 C 0 0 9.5512 -12.8903 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 9 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 13 1 0 7 4 2 0 8 1 2 0 9 15 1 0 10 14 1 0 11 5 2 0 12 7 1 0 13 12 1 0 14 6 1 0 15 6 1 0 16 11 1 0 17 3 1 0 18 3 1 0 19 4 1 0 20 19 2 0 21 5 1 0 22 20 1 0 23 11 1 0 24 16 1 0 25 17 1 0 26 18 1 0 27 21 2 0 28 27 1 0 29 25 1 0 30 26 1 0 22 12 2 0 30 29 1 0 2 10 1 0 28 23 2 0 M END > 43837 > J. Med. Chem. 41(12)-1998 1997-2009 > D2 > 6.6968 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 3.5459 0.5703 0.0000 C 0 0 -6.5787 -2.2058 0.0000 N 0 0 2.1694 1.1531 0.0000 C 0 0 -7.7743 -3.1128 0.0000 C 0 0 2.5789 -0.5703 0.0000 C 0 0 5.0089 0.0248 0.0000 C 0 0 3.5459 2.2565 0.0000 C 0 0 -4.1884 -0.3927 0.0000 N 0 0 6.1000 0.5703 0.0000 C 0 0 4.8106 2.8516 0.0000 C 0 0 3.7195 0.0000 0.0000 C 0 0 -6.7662 -0.7176 0.0000 C 0 0 -5.1960 -2.7876 0.0000 C 0 0 2.0215 2.3439 0.0000 O 0 0 -7.5893 -4.6014 0.0000 C 0 0 5.1825 -0.5703 0.0000 C 0 0 3.7195 1.5374 0.0000 C 0 0 6.1000 2.2565 0.0000 C 0 0 0.9718 0.2485 0.0000 N 0 0 -5.5711 0.1889 0.0000 C 0 0 -4.0010 -1.8810 0.0000 C 0 0 -6.2080 -5.1886 0.0000 O 0 0 -2.9908 0.5118 0.0000 C 0 0 -1.6083 -0.0721 0.0000 C 0 0 -9.1561 -2.5290 0.0000 C 0 0 -0.4107 0.8325 0.0000 C 0 0 -8.7858 -5.5060 0.0000 C 0 0 -6.0617 -6.3796 0.0000 C 0 0 -10.3526 -3.4336 0.0000 C 0 0 -10.1675 -4.9221 0.0000 C 0 0 2 13 1 0 3 1 1 0 4 2 1 0 5 1 1 0 6 1 1 0 7 1 1 0 8 23 1 0 9 6 1 0 10 7 1 0 11 5 1 0 12 20 1 0 13 21 1 0 14 3 2 0 15 4 1 0 16 9 1 0 17 10 1 0 18 10 1 0 19 3 1 0 20 8 1 0 21 8 1 0 22 15 1 0 23 24 1 0 24 26 1 0 25 4 2 0 26 19 1 0 27 15 2 0 28 22 1 0 29 25 1 0 30 29 2 0 9 18 1 0 11 17 1 0 16 11 1 0 2 12 1 0 27 30 1 0 M END > 55224 > J. Med. Chem. 42(25)-1999 5077-5094 > D2 > 6.6990 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 2.6011 14.5330 0.0000 C 0 0 2.1853 13.1310 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 1.3703 15.3788 0.0000 C 0 0 0.1879 14.4638 0.0000 C 0 0 0.6978 13.0602 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 3.7323 14.9335 0.0000 O 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 3.1128 11.9511 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.1837 16.8711 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 -1.2099 15.0189 0.0000 C 0 0 3.4832 9.3777 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -0.2253 17.4407 0.0000 C 0 0 -1.4077 16.5257 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 18 1 0 5 1 1 0 6 1 1 0 7 2 1 0 8 3 1 0 9 10 1 0 10 4 1 0 11 5 2 0 12 17 1 0 13 3 2 0 14 6 1 0 15 6 1 0 16 14 1 0 17 15 1 0 18 25 1 0 19 5 1 0 20 8 2 0 21 12 1 0 22 9 2 0 23 26 1 0 24 11 1 0 25 23 1 0 26 21 1 0 27 19 2 0 28 20 1 0 29 22 1 0 30 27 1 0 7 11 1 0 16 12 1 0 24 30 2 0 8 9 1 0 28 29 2 0 M END > 28132 > J. Med. Chem. 39(1)-1996 149-157 > D2 > 6.7447 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 13.8793 -3.7687 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 15.3800 -3.7516 0.0000 C 0 0 10.8794 -3.8027 0.0000 N 0 0 13.1146 -2.4782 0.0000 C 0 0 13.1441 -5.0761 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 16.1174 -2.4453 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 11.6442 -5.0931 0.0000 C 0 0 11.6147 -2.4952 0.0000 C 0 0 15.3571 -1.1514 0.0000 O 0 0 9.3787 -3.8167 0.0000 C 0 0 16.1427 -5.0433 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 17.6173 -2.4307 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 15.9484 -0.1072 0.0000 C 0 0 8.6154 -2.5245 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 17.6427 -5.0287 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 18.3800 -3.7224 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 10 1 0 5 1 1 0 6 2 1 0 7 3 1 0 8 4 1 0 9 18 1 0 10 16 1 0 11 15 1 0 12 5 2 0 13 8 2 0 14 5 1 0 15 9 1 0 16 9 1 0 17 13 1 0 18 25 1 0 19 8 1 0 20 6 2 0 21 7 2 0 22 13 1 0 23 14 1 0 24 17 1 0 25 26 1 0 26 23 1 0 27 19 2 0 28 20 1 0 29 21 1 0 30 27 1 0 7 6 1 0 28 29 2 0 4 11 1 0 30 22 2 0 M END > 113136 > J. Med. Chem. 46(18)-2003 3822-3839 > D2 > 6.7959 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -5.4984 5.5497 0.0000 C 0 0 -4.0312 5.2378 0.0000 N 0 0 -7.6035 7.0719 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -8.2185 8.4401 0.0000 C 0 0 -6.2484 4.2507 0.0000 C 0 0 -6.1107 6.9171 0.0000 C 0 0 -5.2447 3.1359 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -7.5165 9.4133 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.1347 6.0355 0.0000 C 0 0 -8.4811 5.8553 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 -9.7108 8.5917 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 4.9457 1.3452 0.0000 C 0 0 -9.9734 6.0069 0.0000 C 0 0 -10.5882 7.3751 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 1 1 0 3 8 1 0 4 2 1 0 5 13 1 0 6 3 1 0 7 1 2 0 8 1 1 0 9 7 1 0 10 5 1 0 11 17 1 0 12 4 1 0 13 19 1 0 14 18 1 0 15 6 2 0 16 10 2 0 17 12 1 0 18 11 1 0 19 11 1 0 20 2 1 0 21 3 1 0 22 16 1 0 23 6 1 0 24 10 1 0 25 16 1 0 26 22 1 0 27 21 1 0 28 27 1 0 29 24 2 0 30 29 1 0 4 9 2 0 23 28 1 0 5 14 1 0 25 30 2 0 M END > 26471 > J. Med. Chem. 38(21)-1995 4198-4210 > D2 > 7.0000 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 -3.9086 1.5029 0.0000 N 0 0 -14.5743 5.5927 0.0000 N 0 0 -14.3415 3.1898 0.0000 C 0 0 -13.1087 5.2609 0.0000 C 0 0 -12.9927 3.8024 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -15.3346 4.3074 0.0000 C 0 0 -6.4965 3.0203 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -14.8005 1.7576 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 1.2964 -1.4973 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -16.8108 4.0199 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -16.2904 1.4580 0.0000 C 0 0 -17.2834 2.5755 0.0000 C 0 0 -16.6712 0.3200 0.0000 O 0 0 -7.7928 3.7767 0.0000 C 0 0 -11.6964 3.0460 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -9.0965 3.0331 0.0000 C 0 0 -10.3927 3.7896 0.0000 C 0 0 2 4 1 0 3 5 1 0 4 5 2 0 5 26 1 0 6 1 1 0 7 6 2 0 8 7 1 0 9 3 1 0 10 20 1 0 11 18 1 0 12 3 2 0 13 8 1 0 14 1 1 0 15 1 1 0 16 11 1 0 17 6 1 0 18 17 2 0 19 9 2 0 20 15 1 0 21 14 1 0 22 12 1 0 23 22 2 0 24 22 1 0 25 10 1 0 26 30 1 0 27 13 1 0 28 16 1 0 29 25 1 0 30 29 1 0 10 21 1 0 8 11 2 0 28 27 1 0 2 9 1 0 23 19 1 0 M END > 132168 > J. Med. Chem. 47(19)-2004 4684-4692 > D2 > 7.1135 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 6.3513 -1.2462 0.0000 N 0 0 9.3512 -1.2122 0.0000 N 0 0 13.8793 -3.7688 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 15.3800 -3.7548 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 13.2893 -4.8137 0.0000 O 0 0 16.1448 -5.0453 0.0000 C 0 0 16.1154 -2.4473 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 7.1161 -2.5367 0.0000 C 0 0 7.0866 0.0613 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 18.3800 -3.7208 0.0000 C 0 0 17.6447 -5.0283 0.0000 C 0 0 17.6153 -2.4304 0.0000 C 0 0 19.5799 -3.7072 0.0000 F 0 0 10.8520 -1.1982 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 11.6153 -2.4905 0.0000 C 0 0 13.1160 -2.4765 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 3 1 0 6 15 1 0 7 19 1 0 8 28 1 0 9 1 2 0 10 8 1 0 11 3 1 0 12 8 2 0 13 10 1 0 14 10 2 0 15 11 1 0 16 6 1 0 17 6 1 0 18 16 1 0 19 17 1 0 20 22 2 0 21 13 2 0 22 14 1 0 23 20 1 0 24 7 1 0 25 2 1 0 26 4 1 0 27 24 1 0 28 27 1 0 29 25 2 0 30 29 1 0 4 5 1 0 30 26 2 0 18 7 1 0 20 21 1 0 M END > 52738 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 7.1700 $$$$ SciTegic07090714462D 30 34 0 0 1 0 999 V2000 0.0680 -0.7142 0.0000 N 0 0 -1.1903 1.4511 0.0000 C 0 0 2 0 0 0 -1.1903 0.0000 0.0000 C 0 0 2 0 0 0 1.3604 0.0000 0.0000 C 0 0 1.3604 1.4511 0.0000 C 0 0 -7.6765 6.6957 0.0000 C 0 0 -7.6829 8.1958 0.0000 C 0 0 -2.4827 -0.7142 0.0000 C 0 0 -2.4827 2.1879 0.0000 C 0 0 -3.7637 1.4511 0.0000 N 0 0 -8.9851 8.9403 0.0000 C 0 0 2.6414 -0.7142 0.0000 C 0 0 -8.9725 5.9403 0.0000 C 0 0 -6.3751 5.9482 0.0000 C 0 0 2.6414 -2.2446 0.0000 S 0 0 -3.7637 0.0000 0.0000 C 0 0 -5.3374 6.5508 0.0000 O 0 0 -0.4648 -1.9045 0.0000 C 0 0 -10.2810 8.1848 0.0000 C 0 0 -6.6463 8.8002 0.0000 N 0 0 -10.2747 6.6848 0.0000 C 0 0 2.6414 2.1879 0.0000 C 0 0 -5.0653 2.1989 0.0000 C 0 0 -11.3227 8.7804 0.0000 O 0 0 0.2041 -2.9702 0.0000 C 0 0 1.6551 -3.1629 0.0000 C 0 0 -5.0695 3.6998 0.0000 C 0 0 -6.3709 4.4473 0.0000 C 0 0 3.9338 1.4511 0.0000 C 0 0 3.9338 0.0000 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 1 0 5 4 1 0 6 14 1 0 7 6 2 0 3 8 1 1 2 9 1 1 10 16 1 0 11 7 1 0 12 4 2 0 13 6 1 0 14 28 1 0 15 12 1 0 16 8 1 0 17 14 2 0 18 1 1 0 19 21 1 0 20 7 1 0 21 13 2 0 22 5 2 0 23 10 1 0 24 19 1 0 25 18 1 0 26 25 1 0 27 23 1 0 28 27 1 0 29 30 2 0 30 12 1 0 2 5 1 0 26 15 1 0 29 22 1 0 10 9 1 0 19 11 2 0 M END > 101570 > Bioorg. Med. Chem. Lett. 13(4)-2003 767-770 > D2 > 7.3010 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 -13.0041 -0.7722 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -14.3029 -1.5242 0.0000 N 0 0 -13.0060 0.4278 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -11.7030 -1.5202 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -15.6041 -0.7762 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -16.9029 -1.5282 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 -18.2045 -0.7825 0.0000 C 0 0 -16.8981 -3.0283 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -18.1947 -3.7825 0.0000 C 0 0 -19.5011 -1.5367 0.0000 C 0 0 -19.4962 -3.0367 0.0000 C 0 0 2 11 1 0 3 12 1 0 4 10 1 0 5 1 1 0 6 1 1 0 7 5 2 0 8 2 1 0 9 2 2 0 10 6 1 0 11 16 1 0 12 6 1 0 13 4 1 0 14 4 1 0 15 8 1 0 16 23 1 0 17 14 1 0 18 13 1 0 19 15 1 0 20 17 1 0 21 5 1 0 22 7 1 0 23 20 1 0 24 19 2 0 25 19 1 0 26 21 2 0 27 26 1 0 28 25 2 0 29 24 1 0 30 28 1 0 3 7 1 0 27 22 2 0 18 20 1 0 30 29 2 0 M END > 60685 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 7.3468 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 3.1038 11.9506 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 2.1721 13.1272 0.0000 N 0 0 2.5514 10.5551 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 3.4809 9.3777 0.0000 C 0 0 4.2909 12.1256 0.0000 O 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.7221 14.5228 0.0000 C 0 0 0.6885 12.9059 0.0000 C 0 0 1.0671 10.3388 0.0000 C 0 0 0.5122 8.9452 0.0000 C 0 0 1.4417 7.7679 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -0.2450 14.0801 0.0000 C 0 0 1.7886 15.6969 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 0.3051 15.4756 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 8 1 0 5 1 1 0 6 2 1 0 7 4 1 0 8 11 2 0 9 3 2 0 10 18 1 0 11 15 1 0 12 4 2 0 13 5 1 0 14 5 1 0 15 16 1 0 16 10 1 0 17 13 1 0 18 14 1 0 19 3 1 0 20 7 1 0 21 7 1 0 22 23 2 0 23 24 1 0 24 15 2 0 25 9 1 0 26 19 2 0 27 21 1 0 28 20 1 0 29 26 1 0 30 27 1 0 9 6 1 0 10 17 1 0 29 25 2 0 22 8 1 0 30 28 1 0 M END > 43861 > J. Med. Chem. 41(12)-1998 1997-2009 > D2 > 7.3872 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 -5.1820 6.0160 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -5.1747 7.5168 0.0000 N 0 0 -3.8864 5.2585 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.9046 0.7483 0.0000 O 0 0 -3.8915 3.7585 0.0000 C 0 0 -6.2243 5.4214 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -6.3822 8.3851 0.0000 C 0 0 -3.9552 8.3682 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 5.2066 1.4948 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 5.2111 2.6948 0.0000 C 0 0 6.2438 0.8913 0.0000 C 0 0 -4.4088 9.7980 0.0000 C 0 0 -5.9088 9.8084 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2 12 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 5 2 0 7 14 1 0 8 6 1 0 9 4 2 0 10 1 2 0 11 15 1 0 12 16 1 0 13 9 1 0 14 13 1 0 15 7 1 0 16 7 1 0 17 3 1 0 18 3 1 0 19 4 1 0 20 8 1 0 21 6 1 0 22 5 1 0 23 19 2 0 24 23 1 0 25 20 1 0 26 20 1 0 27 18 1 0 28 17 1 0 29 30 1 0 30 22 2 0 27 28 1 0 24 13 2 0 11 2 1 0 29 21 2 0 M END > 43851 > J. Med. Chem. 41(12)-1998 1997-2009 > D2 > 7.4559 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 -13.0097 -3.7390 0.0000 C 0 0 -14.3341 -3.1171 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -13.1460 -5.2142 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 -11.7101 -2.9885 0.0000 N 0 0 -15.3485 -4.2257 0.0000 S 0 0 0.0000 -0.7486 0.0000 C 0 0 -14.6087 -5.5230 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -9.1121 -1.4882 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 -10.4110 -3.7384 0.0000 C 0 0 -11.7103 -1.4885 0.0000 C 0 0 -9.1120 -2.9883 0.0000 C 0 0 -10.4113 -0.7384 0.0000 C 0 0 -12.1293 -6.3225 0.0000 C 0 0 -3.9122 -1.4966 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -7.8109 -0.7403 0.0000 C 0 0 -15.0906 -6.9477 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -5.2109 -0.7445 0.0000 C 0 0 -6.5121 -1.4924 0.0000 C 0 0 -12.6074 -7.7651 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -14.0702 -8.0739 0.0000 C 0 0 2 1 2 0 3 6 1 0 4 1 1 0 5 6 1 0 6 20 1 0 7 1 1 0 8 2 1 0 9 3 1 0 10 4 2 0 11 5 2 0 12 18 1 0 13 11 1 0 14 3 2 0 15 7 1 0 16 7 1 0 17 15 1 0 18 16 1 0 19 4 1 0 20 25 1 0 21 9 1 0 22 12 1 0 23 10 1 0 24 13 1 0 25 26 1 0 26 22 1 0 27 19 2 0 28 21 2 0 29 24 2 0 30 27 1 0 10 8 1 0 12 17 1 0 23 30 2 0 9 13 2 0 28 29 1 0 M END > 18364 > J. Med. Chem. 37(16)-1994 2552-2563 > D2 > 7.4949 $$$$ SciTegic07090714462D 30 33 0 0 0 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -7.7464 14.2931 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -6.4462 15.0355 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -9.0394 15.0478 0.0000 O 0 0 -7.7538 12.7961 0.0000 C 0 0 -6.4388 16.5325 0.0000 O 0 0 1.2964 -2.6973 0.0000 O 0 0 -5.1532 14.2808 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -6.4527 12.0265 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 F 0 0 -5.1515 12.7679 0.0000 C 0 0 -3.8775 6.0115 0.0000 N 0 0 -9.0320 16.5448 0.0000 C 0 0 -7.7317 17.2872 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -5.1681 8.2686 0.0000 C 0 0 -5.1622 9.7694 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 12 1 0 6 10 1 0 7 1 1 0 8 2 1 0 9 15 1 0 10 7 2 0 11 5 1 0 12 17 2 0 13 9 1 0 14 4 2 0 15 21 2 0 16 4 1 0 17 27 1 0 18 3 1 0 19 16 1 0 20 10 1 0 21 17 1 0 22 25 1 0 23 11 1 0 24 13 1 0 25 28 1 0 26 22 1 0 27 30 1 0 28 18 1 0 29 26 1 0 30 29 1 0 3 6 2 0 8 19 1 0 9 5 2 0 23 24 1 0 M END > 45047 > J. Med. Chem. 41(15)-1998 2765-2778 > D2 > 7.6003 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 1.4973 0.0000 N 0 0 -10.4014 -8.2771 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -7.8042 -9.7678 0.0000 O 0 0 -7.8028 -5.2564 0.0000 N 0 0 -10.3974 -9.7741 0.0000 C 0 0 -9.0985 -7.5105 0.0000 C 0 0 -9.0989 -10.5195 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.9091 -1.5019 0.0000 C 0 0 -9.1009 -6.0097 0.0000 C 0 0 -7.7990 -8.2549 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -11.6921 -10.5258 0.0000 C 0 0 -9.0950 -12.0166 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -11.6882 -12.0229 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -10.3896 -12.7683 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 11 1 0 5 6 2 0 6 3 1 0 7 2 1 0 8 16 1 0 9 18 1 0 10 4 1 0 11 15 1 0 12 8 1 0 13 1 2 0 14 2 1 0 15 9 1 0 16 11 1 0 17 21 1 0 18 22 1 0 19 14 1 0 20 19 1 0 21 20 1 0 22 20 1 0 23 5 1 0 24 6 1 0 25 10 1 0 26 12 1 0 27 29 1 0 28 25 2 0 29 24 2 0 30 26 2 0 7 5 1 0 23 27 2 0 9 17 1 0 12 10 2 0 28 30 1 0 M END > 60706 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 7.7959 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 -12.7221 3.7043 0.0000 C 0 0 -3.6168 1.4950 0.0000 N 0 0 -14.0165 2.9446 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -11.4165 2.9640 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -6.2185 2.9892 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -10.1218 3.7214 0.0000 C 0 0 -12.7310 4.9042 0.0000 O 0 0 -4.9144 0.7421 0.0000 C 0 0 -3.6204 2.9950 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -8.8184 2.9788 0.0000 C 0 0 -7.5214 3.7340 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -4.9211 3.7421 0.0000 C 0 0 -6.2151 1.4892 0.0000 C 0 0 -15.3224 3.6826 0.0000 C 0 0 -14.0028 1.4446 0.0000 C 0 0 -11.4080 1.4640 0.0000 C 0 0 -10.1047 0.7214 0.0000 C 0 0 -8.8100 1.4788 0.0000 C 0 0 -15.2949 0.6828 0.0000 C 0 0 -16.6145 2.9208 0.0000 C 0 0 -16.6008 1.4208 0.0000 C 0 0 2 14 1 0 3 1 1 0 4 2 1 0 5 4 1 0 6 1 1 0 7 5 2 0 8 19 1 0 9 7 1 0 10 9 1 0 11 20 2 0 12 6 2 0 13 1 2 0 14 22 1 0 15 21 1 0 16 11 1 0 17 4 2 0 18 12 1 0 19 18 1 0 20 17 1 0 21 8 1 0 22 8 1 0 23 3 1 0 24 3 1 0 25 6 1 0 26 25 2 0 27 26 1 0 28 24 1 0 29 23 1 0 30 28 1 0 27 18 2 0 30 29 1 0 15 2 1 0 11 7 1 0 10 16 2 0 M END > 43860 > J. Med. Chem. 41(12)-1998 1997-2009 > D2 > 7.8239 $$$$ SciTegic07090714462D 30 34 0 0 0 0 999 V2000 10.5905 6.9504 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 9.9937 5.5857 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 12.0546 6.7874 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 12.3733 5.3285 0.0000 C 0 0 11.0798 4.5789 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 8.5244 5.2803 0.0000 C 0 0 13.6849 4.5924 0.0000 C 0 0 5.5870 4.6698 0.0000 N 0 0 9.9902 7.9895 0.0000 O 0 0 11.0663 3.0749 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 8.0544 3.8558 0.0000 C 0 0 7.5257 6.3996 0.0000 C 0 0 6.0571 6.0943 0.0000 C 0 0 6.5858 3.5506 0.0000 C 0 0 13.6805 3.0727 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 12.3870 2.3231 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 14.7194 2.4721 0.0000 Cl 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 22 1 0 5 1 1 0 6 2 1 0 7 5 1 0 8 3 1 0 9 4 1 0 10 9 1 0 11 3 1 0 12 7 2 0 13 19 1 0 14 1 2 0 15 8 2 0 16 2 2 0 17 11 1 0 18 11 1 0 19 18 1 0 20 17 1 0 21 12 1 0 22 23 1 0 23 25 1 0 24 15 1 0 25 13 1 0 26 21 1 0 27 9 2 0 28 10 2 0 29 27 1 0 30 29 2 0 8 7 1 0 13 20 1 0 21 24 2 0 6 10 1 0 30 28 1 0 M END > 108679 > J. Med. Chem. 46(5)-2003 702-715 > D2 > 7.8665 $$$$ SciTegic07090714462D 30 34 0 0 1 0 999 V2000 0.7849 1.3839 0.0000 C 0 0 -1.7557 0.0000 0.0000 C 0 0 1 0 0 0 -1.7557 1.3839 0.0000 C 0 0 2 0 0 0 -0.4751 -0.8262 0.0000 C 0 0 -3.0570 2.1275 0.0000 N 0 0 0.8056 0.0000 0.0000 C 0 0 -0.4751 2.1275 0.0000 C 0 0 2.1895 1.8383 0.0000 C 0 0 3.0570 0.6403 0.0000 N 0 0 -10.8694 -0.3954 0.0000 C 0 0 -4.3376 0.0000 0.0000 C 0 0 2 0 0 0 2.1895 -0.5370 0.0000 C 0 0 -4.3376 1.3839 0.0000 C 0 0 -3.0570 -0.8262 0.0000 C 0 0 -9.5304 0.2826 0.0000 S 0 0 -6.9343 0.1407 0.0000 C 0 0 -5.6772 -0.6792 0.0000 N 0 0 -10.9349 -1.5936 0.0000 O 0 0 -12.1265 0.4244 0.0000 C 0 0 -6.8688 1.3389 0.0000 O 0 0 -8.2733 -0.5373 0.0000 C 0 0 -0.4338 -2.3134 0.0000 C 0 0 -3.0612 3.3275 0.0000 C 0 0 0.8262 -3.0570 0.0000 C 0 0 2.4993 -1.9623 0.0000 C 0 0 -13.4658 -0.2512 0.0000 C 0 0 -12.0422 1.9221 0.0000 C 0 0 -13.2969 2.7441 0.0000 C 0 0 -14.7205 0.5707 0.0000 C 0 0 -14.6361 2.0684 0.0000 C 0 0 2 3 1 0 3 7 1 6 4 6 1 0 5 3 1 0 6 1 1 0 7 1 1 0 8 1 2 0 9 8 1 0 10 15 1 0 11 13 1 0 12 6 2 0 13 5 1 0 2 14 1 1 15 21 1 0 16 17 1 0 11 17 1 6 18 10 2 0 19 10 1 0 20 16 2 0 21 16 1 0 22 4 2 0 23 5 1 0 24 25 2 0 25 12 1 0 26 19 1 0 27 19 2 0 28 27 1 0 29 26 2 0 30 28 2 0 9 12 1 0 2 4 1 0 11 14 1 0 24 22 1 0 30 29 1 0 M END > 78753 > Bioorg. Med. Chem. 10(11)-2002 3523-3528 > D2 > 7.9706 $$$$ SciTegic07090714462D 31 35 0 0 1 0 999 V2000 -6.4965 3.0203 0.0000 N 0 0 -3.9086 1.5029 0.0000 N 0 0 5.1929 -0.7441 0.0000 C 0 0 -7.7912 3.7793 0.0000 C 0 0 3.8942 -1.4964 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -7.7836 5.2794 0.0000 N 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 5.1908 0.4559 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 2 0 0 0 1.2964 -1.4973 0.0000 C 0 0 6.4942 -1.4919 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -9.0941 3.0360 0.0000 C 0 0 -9.0788 6.0360 0.0000 C 0 0 7.7933 -0.7419 0.0000 C 0 0 6.4943 -2.9919 0.0000 C 0 0 -10.3893 3.7926 0.0000 C 0 0 -10.3817 5.2926 0.0000 C 0 0 7.7933 -3.7419 0.0000 C 0 0 9.0923 -1.4919 0.0000 C 0 0 9.0923 -2.9919 0.0000 C 0 0 2 14 1 0 3 5 1 0 4 1 1 0 16 5 1 6 6 2 1 1 7 8 1 6 8 6 1 0 9 20 1 1 10 4 2 0 11 1 1 0 12 1 1 0 13 11 1 0 14 12 1 0 15 3 2 0 16 17 1 0 17 9 1 0 18 3 1 0 19 6 1 0 20 19 1 0 21 7 1 0 22 21 1 0 23 4 1 0 24 10 1 0 25 18 1 0 26 18 2 0 27 23 2 0 28 27 1 0 29 26 1 0 30 25 2 0 31 29 2 0 2 13 1 0 24 28 2 0 7 9 1 0 16 22 1 0 30 31 1 0 M END > 20413 > J. Med. Chem. 37(24)-1994 4251-4257 > D2 > 5.1487 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 7.7772 -9.7643 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -6.5078 3.0010 0.0000 N 0 0 6.4703 -12.0099 0.0000 C 0 0 9.0684 -12.0189 0.0000 C 0 0 9.0736 -10.5189 0.0000 C 0 0 6.4755 -10.5099 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 7.7668 -12.7644 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 7.7626 -13.9644 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 7.7793 -8.2635 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 3.8890 -3.0026 0.0000 C 0 0 6.4811 -7.5104 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 6.4832 -6.0096 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 2 1 2 0 3 6 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 22 1 0 8 3 1 0 9 1 1 0 10 4 2 0 11 6 1 0 12 24 1 0 13 16 1 0 14 15 1 0 15 7 1 0 16 7 1 0 17 19 1 0 18 13 1 0 19 11 2 0 20 18 1 0 21 17 1 0 22 28 1 0 23 25 1 0 24 26 2 0 25 9 2 0 26 9 1 0 27 21 1 0 28 30 1 0 29 27 1 0 30 31 1 0 31 29 1 0 3 4 1 0 12 23 2 0 8 17 2 0 18 14 1 0 M END > 8446 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.1612 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 6.5121 10.4948 0.0000 N 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 7.8190 12.7404 0.0000 C 0 0 9.1102 10.4859 0.0000 C 0 0 6.5173 11.9949 0.0000 C 0 0 7.8086 9.7404 0.0000 C 0 0 9.1154 11.9859 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 10.1567 12.5823 0.0000 O 0 0 5.2112 9.7463 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 5.2082 8.2455 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 3.9073 7.4969 0.0000 C 0 0 3.9042 5.9961 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 4 1 0 6 2 2 0 7 19 1 0 8 1 2 0 9 2 1 0 10 4 1 0 11 13 1 0 12 14 1 0 13 7 1 0 14 7 1 0 15 12 1 0 16 6 1 0 17 9 1 0 18 15 1 0 19 25 1 0 20 21 1 0 21 9 2 0 22 10 2 0 23 10 1 0 24 17 1 0 25 27 1 0 26 24 1 0 27 28 1 0 28 26 1 0 29 23 2 0 30 22 1 0 31 29 1 0 5 6 1 0 16 20 2 0 31 30 2 0 15 11 1 0 M END > 8397 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.2147 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 12.9928 0.7305 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 14.2841 -1.5240 0.0000 C 0 0 15.5909 0.7215 0.0000 C 0 0 14.2945 1.4760 0.0000 C 0 0 12.9877 -0.7695 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 15.5857 -0.7785 0.0000 C 0 0 16.6229 -1.3821 0.0000 O 0 0 3.8942 1.4964 0.0000 O 0 0 11.6941 1.4828 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 10.3928 0.7351 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 3 1 0 8 21 1 0 9 6 1 0 10 1 1 0 11 5 2 0 12 15 1 0 13 14 1 0 14 8 1 0 15 8 1 0 16 7 2 0 17 16 1 0 18 12 1 0 19 18 1 0 20 16 1 0 21 25 1 0 22 10 2 0 23 10 1 0 24 20 1 0 25 27 1 0 26 24 1 0 27 28 1 0 28 26 1 0 29 23 2 0 30 22 1 0 31 29 1 0 5 6 1 0 31 30 2 0 17 9 2 0 18 13 1 0 M END > 8463 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 5.2218 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2641 -2.2299 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 1.1610 -6.7295 0.0000 O 0 0 2.5451 -3.0103 0.0000 C 0 0 -0.0523 -2.9490 0.0000 C 0 0 -3.8912 5.2578 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 1.1933 -5.2290 0.0000 C 0 0 2.3239 -0.1258 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 2.5097 -4.5099 0.0000 C 0 0 -0.0877 -4.4486 0.0000 C 0 0 2.4437 -7.5086 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 2.4136 -9.0083 0.0000 C 0 0 3.7577 -6.7849 0.0000 C 0 0 -5.1895 7.5109 0.0000 C 0 0 -6.4886 5.2609 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 3.6973 -9.7843 0.0000 C 0 0 5.0414 -7.5609 0.0000 C 0 0 -7.7876 6.0110 0.0000 C 0 0 -7.7876 7.5110 0.0000 C 0 0 5.0112 -9.0606 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 4 1 0 7 3 1 0 8 2 1 0 9 14 1 0 10 5 1 0 11 5 2 0 12 16 1 0 13 8 1 0 14 18 2 0 15 1 1 0 16 13 1 0 17 10 2 0 18 11 1 0 19 9 1 0 20 12 1 0 21 13 1 0 22 19 2 0 23 19 1 0 24 20 2 0 25 20 1 0 26 24 1 0 27 22 1 0 28 23 2 0 29 25 2 0 30 29 1 0 31 28 1 0 7 2 1 0 14 17 1 0 31 27 2 0 30 26 2 0 M END > 76475 > Bioorg. Med. Chem. 10(2)-2002 371-383 > D2 > 5.4949 $$$$ SciTegic07090714462D 31 36 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -7.8003 -1.4887 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 -9.1477 -0.7382 0.0000 C 0 0 -7.7941 -2.9672 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 -10.4146 -3.0238 0.0000 C 0 0 -9.1202 -3.7413 0.0000 C 0 0 -10.4322 -1.5137 0.0000 C 0 0 -6.7522 -3.5625 0.0000 O 0 0 -9.1687 0.4616 0.0000 O 0 0 0.2489 1.0098 0.0000 C 0 0 -6.4990 -0.7410 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -11.1491 -4.3259 0.0000 C 0 0 -11.4299 -1.9316 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -12.7675 -2.5470 0.0000 C 0 0 -12.6158 -4.0364 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 20 1 0 3 5 1 6 6 2 1 0 7 4 1 0 8 4 1 0 9 1 1 0 10 5 1 6 11 2 1 0 12 9 2 0 13 3 1 0 14 15 1 0 15 8 1 0 16 7 1 0 17 8 2 0 18 7 2 0 19 13 1 0 20 26 1 0 21 5 1 0 22 9 1 0 23 12 1 0 24 14 1 0 25 14 1 0 26 27 1 0 27 21 1 0 28 22 2 0 29 28 1 0 30 25 1 0 31 24 1 0 12 6 1 0 10 11 1 0 19 10 1 0 29 23 2 0 14 16 1 0 30 31 1 0 M END > 69461 > J. Med. Chem. 36(10)-1993 1488-1495 > D2 > 5.5219 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 11.9302 7.3231 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 7.5241 6.4042 0.0000 N 0 0 3.6500 2.9355 0.0000 N 0 0 12.3984 8.7490 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 10.4614 7.0146 0.0000 C 0 0 12.7307 6.4291 0.0000 O 0 0 13.8659 9.0594 0.0000 C 0 0 11.3959 9.8649 0.0000 C 0 0 9.4627 8.1339 0.0000 C 0 0 9.9914 5.5902 0.0000 C 0 0 7.9941 7.8286 0.0000 C 0 0 8.5228 5.2849 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 13.3284 11.6013 0.0000 C 0 0 14.3310 10.4855 0.0000 C 0 0 11.8609 11.2910 0.0000 C 0 0 6.0553 6.0958 0.0000 C 0 0 13.7005 12.7422 0.0000 F 0 0 -1.0028 1.5132 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 4.4505 2.0415 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 12 1 0 7 4 1 0 8 24 1 0 9 3 1 0 10 6 1 0 11 3 2 0 12 17 1 0 13 6 2 0 14 10 2 0 15 10 1 0 16 18 1 0 17 19 1 0 18 8 1 0 19 8 1 0 20 27 1 0 21 23 1 0 22 14 1 0 23 15 2 0 24 20 1 0 25 21 1 0 26 4 2 0 27 9 1 0 28 9 1 0 29 7 2 0 30 26 1 0 31 30 2 0 7 5 1 0 29 31 1 0 16 12 1 0 22 21 2 0 M END > 17957 > J. Med. Chem. 37(15)-1994 2308-2314 > D2 > 5.6238 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 6.5121 10.4948 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 7.8190 12.7404 0.0000 C 0 0 9.1102 10.4859 0.0000 C 0 0 6.5173 11.9949 0.0000 C 0 0 7.8086 9.7404 0.0000 C 0 0 9.1154 11.9859 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 10.1567 12.5823 0.0000 O 0 0 5.2112 9.7463 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 5.2082 8.2455 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 3.9073 7.4969 0.0000 C 0 0 3.9042 5.9961 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 6 1 0 6 3 2 0 7 19 1 0 8 3 1 0 9 2 1 0 10 5 2 0 11 13 1 0 12 14 1 0 13 7 1 0 14 7 1 0 15 12 1 0 16 6 1 0 17 8 1 0 18 15 1 0 19 25 1 0 20 21 1 0 21 8 2 0 22 9 1 0 23 9 2 0 24 17 1 0 25 27 1 0 26 24 1 0 27 28 1 0 28 26 1 0 29 22 2 0 30 23 1 0 31 30 2 0 5 4 1 0 20 16 2 0 29 31 1 0 15 11 1 0 M END > 8467 > J. Med. Chem. 35(9)-1992 1526-1535 > D2 > 6.0269 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -1.2919 2.9980 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -5.1789 12.7563 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -1.2844 5.9982 0.0000 N 0 0 -5.1782 14.2571 0.0000 C 0 0 -2.5891 3.7515 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 -6.4754 15.0105 0.0000 C 0 0 -6.2187 12.1571 0.0000 O 0 0 -3.8800 12.0044 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 0.0127 5.2449 0.0000 C 0 0 -6.4716 16.5105 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.7679 17.2669 0.0000 O 0 0 -1.2837 7.4991 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.8773 15.0040 0.0000 C 0 0 -3.8735 16.5040 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.8808 10.5036 0.0000 C 0 0 -5.1706 17.2572 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -7.7632 18.4668 0.0000 C 0 0 -2.5826 8.2509 0.0000 C 0 0 -2.5818 9.7518 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 12 1 0 5 1 1 0 6 15 1 0 7 4 1 0 8 2 1 0 9 2 1 0 10 7 2 0 11 4 2 0 12 24 1 0 13 3 1 0 14 8 1 0 15 9 1 0 16 10 1 0 17 5 2 0 18 16 1 0 19 6 1 0 20 3 1 0 21 7 1 0 22 21 2 0 23 17 1 0 24 29 1 0 25 22 1 0 26 13 1 0 27 18 1 0 28 19 1 0 29 28 1 0 30 20 2 0 31 30 1 0 23 13 2 0 6 14 1 0 26 31 2 0 25 16 2 0 M END > 107643 > J. Med. Chem. 45(26)-2002 5727-5735 > D2 > 6.1135 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 10.3796 -8.2628 0.0000 C 0 0 6.4832 -6.0096 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 10.3774 -9.7636 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 9.0814 -7.5096 0.0000 C 0 0 11.4199 -7.6646 0.0000 O 0 0 11.6738 -10.5182 0.0000 C 0 0 9.0757 -10.5091 0.0000 C 0 0 7.7823 -8.2596 0.0000 C 0 0 9.0814 -6.0096 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 6.4833 -7.5096 0.0000 C 0 0 7.7824 -5.2596 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 10.3669 -12.7637 0.0000 C 0 0 9.0705 -12.0091 0.0000 C 0 0 11.6686 -12.0182 0.0000 C 0 0 10.3628 -13.9636 0.0000 F 0 0 5.1850 -5.2565 0.0000 C 0 0 -3.6486 1.3517 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 1 0 6 5 1 0 7 13 1 0 8 27 1 0 9 1 2 0 10 3 2 0 11 7 1 0 12 2 2 0 13 18 1 0 14 7 2 0 15 11 2 0 16 11 1 0 17 20 1 0 18 21 1 0 19 22 2 0 20 8 1 0 21 8 1 0 22 9 1 0 23 24 1 0 24 16 2 0 25 15 1 0 26 23 1 0 27 29 1 0 28 4 1 0 29 31 1 0 30 19 1 0 31 30 1 0 19 10 1 0 4 6 2 0 13 17 1 0 23 25 2 0 M END > 49174 > J. Med. Chem. 41(27)-1998 5402-5409 > D2 > 6.6757 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.8912 5.2578 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8991 -0.7525 0.0000 N 0 0 2.5965 -3.0004 0.0000 N 0 0 -5.1894 6.0109 0.0000 C 0 0 -2.5902 6.0059 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.4900 5.2636 0.0000 C 0 0 -1.2925 5.2537 0.0000 C 0 0 -5.1863 7.5109 0.0000 C 0 0 -2.5876 7.5059 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -4.9315 4.6596 0.0000 O 0 0 -7.7844 7.5162 0.0000 C 0 0 0.0105 7.5014 0.0000 C 0 0 -7.7875 6.0162 0.0000 C 0 0 -1.2873 8.2537 0.0000 C 0 0 -6.4838 8.2635 0.0000 C 0 0 0.0079 6.0014 0.0000 C 0 0 -8.8224 8.1184 0.0000 F 0 0 1.0507 8.0996 0.0000 F 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 2 1 1 0 3 26 1 0 4 16 1 0 5 1 1 0 6 1 2 0 7 3 1 0 8 3 1 0 9 2 1 0 10 2 1 0 11 7 1 0 12 8 2 0 13 7 2 0 14 8 1 0 15 9 1 0 16 10 1 0 17 3 1 0 18 22 2 0 19 21 1 0 20 11 2 0 21 14 2 0 22 13 1 0 23 12 1 0 24 18 1 0 25 19 1 0 26 31 1 0 27 4 1 0 28 30 2 0 29 5 2 0 30 6 1 0 31 27 1 0 29 28 1 0 4 15 1 0 19 23 2 0 18 20 1 0 M END > 13170 > J. Med. Chem. 35(24)-1992 4516-4525 > D2 > 6.6990 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -0.0002 3.0008 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5603 4.4829 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2637 2.2315 0.0000 C 0 0 -0.0378 4.4800 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 2.5620 2.9829 0.0000 C 0 0 1.2604 5.2315 0.0000 C 0 0 3.8608 5.2321 0.0000 C 0 0 2.3383 -1.3500 0.0000 F 0 0 7.7603 4.4796 0.0000 O 0 0 5.1603 4.4813 0.0000 C 0 0 -1.0407 3.5987 0.0000 O 0 0 6.4607 5.2305 0.0000 C 0 0 9.0607 5.2288 0.0000 C 0 0 5.1595 3.2813 0.0000 O 0 0 -1.2978 -3.7529 0.0000 C 0 0 1.3002 -3.7488 0.0000 C 0 0 10.3606 4.4803 0.0000 C 0 0 9.0592 6.7289 0.0000 C 0 0 1.3026 -5.2488 0.0000 C 0 0 -1.2955 -5.2529 0.0000 C 0 0 11.6589 5.2317 0.0000 C 0 0 10.3574 7.4803 0.0000 C 0 0 0.0048 -6.0009 0.0000 C 0 0 11.6572 6.7317 0.0000 C 0 0 2 6 2 0 3 7 2 0 4 1 1 0 5 13 1 0 6 4 1 0 7 10 1 0 8 1 1 0 9 1 1 0 10 4 2 0 11 3 1 0 12 8 1 0 13 9 1 0 14 5 1 0 15 2 1 0 16 19 1 0 17 14 1 0 18 1 1 0 19 17 1 0 20 16 1 0 21 17 1 0 22 11 1 0 23 11 2 0 24 20 1 0 25 20 2 0 26 23 1 0 27 22 2 0 28 24 2 0 29 25 1 0 30 26 2 0 31 29 2 0 5 12 1 0 3 2 1 0 30 27 1 0 28 31 1 0 M END > 76477 > Bioorg. Med. Chem. 10(2)-2002 371-383 > D2 > 6.7959 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 -1.3597 14.4913 0.0000 C 0 0 0.3168 3.8022 0.0000 N 0 0 -2.4823 15.4296 0.0000 N 0 0 1.5656 2.8889 0.0000 C 0 0 -1.0251 3.1871 0.0000 C 0 0 -0.0798 15.2373 0.0000 C 0 0 -1.4917 12.9964 0.0000 N 0 0 -1.9053 16.8170 0.0000 S 0 0 -0.4170 16.6938 0.0000 C 0 0 0.0186 0.7828 0.0000 C 0 0 -1.1742 1.6588 0.0000 C 0 0 1.3979 1.3979 0.0000 C 0 0 -1.7556 10.0079 0.0000 N 0 0 -2.0023 3.8835 0.0000 O 0 0 2.6644 3.3712 0.0000 O 0 0 -0.2637 12.1350 0.0000 C 0 0 -2.8517 12.3635 0.0000 C 0 0 0.4462 5.2971 0.0000 O 0 0 -0.3956 10.6408 0.0000 C 0 0 -2.9836 10.8694 0.0000 C 0 0 1.3540 14.7833 0.0000 C 0 0 -1.8846 8.5126 0.0000 C 0 0 -0.6547 7.6525 0.0000 C 0 0 -0.8574 -0.4287 0.0000 C 0 0 1.4351 0.3168 0.0000 C 0 0 0.6713 17.7318 0.0000 C 0 0 -0.7837 6.1572 0.0000 C 0 0 2.4602 15.8254 0.0000 C 0 0 0.0186 -1.6401 0.0000 C 0 0 1.4351 -1.1556 0.0000 C 0 0 2.1229 17.2819 0.0000 C 0 0 2 18 1 0 3 1 2 0 4 2 1 0 5 2 1 0 6 1 1 0 7 1 1 0 8 3 1 0 9 6 2 0 10 11 1 0 11 5 1 0 12 4 1 0 13 20 1 0 14 5 2 0 15 4 2 0 16 7 1 0 17 7 1 0 18 27 1 0 19 16 1 0 20 17 1 0 21 6 1 0 22 13 1 0 23 22 1 0 24 10 1 0 25 10 1 0 26 9 1 0 27 23 1 0 28 21 2 0 29 24 1 0 30 25 1 0 31 28 1 0 9 8 1 0 19 13 1 0 31 26 2 0 12 10 1 0 29 30 1 0 M END > 64524 > J. Med. Chem. 34(3)-1991 1068-1072 > D2 > 6.8539 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 0.2917 0.7475 0.0000 C 0 0 5.3123 -13.5260 0.0000 C 0 0 4.7545 -12.1293 0.0000 C 0 0 4.3997 -14.7102 0.0000 C 0 0 3.2486 -11.9340 0.0000 C 0 0 6.7170 -14.0331 0.0000 N 0 0 2.3347 -13.1186 0.0000 C 0 0 3.3443 -5.3916 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.9070 -14.5264 0.0000 C 0 0 6.6867 -15.5060 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 5.2478 -15.9393 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2.6728 -10.5480 0.0000 O 0 0 0.8481 -12.9126 0.0000 O 0 0 -3.3560 1.3452 0.0000 F 0 0 3.9201 -6.7775 0.0000 C 0 0 3.0085 -7.9698 0.0000 C 0 0 3.5844 -9.3558 0.0000 C 0 0 0.1104 -13.8591 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 7 2 0 7 9 1 0 8 15 2 0 9 25 1 0 10 6 1 0 11 9 2 0 12 22 1 0 13 3 2 0 14 5 2 0 15 11 1 0 16 10 1 0 17 2 1 0 18 8 1 0 19 14 1 0 20 17 1 0 21 17 1 0 22 21 1 0 23 20 1 0 24 13 1 0 25 30 1 0 26 11 1 0 27 19 1 0 28 12 1 0 29 28 1 0 30 29 1 0 31 26 1 0 3 5 1 0 12 23 1 0 24 19 2 0 6 8 1 0 18 16 2 0 M END > 22167 > J. Med. Chem. 38(7)-1995 1119-1131 > D2 > 6.9281 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -6.5121 1.4924 0.0000 N 0 0 -9.1101 2.9927 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -14.3101 2.9842 0.0000 C 0 0 -15.6113 3.7321 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 -14.3081 1.7842 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -16.9105 2.9823 0.0000 C 0 0 -15.6113 5.2322 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -18.2093 5.2324 0.0000 C 0 0 -18.2095 3.7324 0.0000 C 0 0 -16.9102 5.9823 0.0000 C 0 0 -19.2485 5.8325 0.0000 F 0 0 -10.4114 3.7406 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -11.7101 2.9885 0.0000 C 0 0 -13.0113 3.7363 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 16 1 0 4 20 1 0 5 1 1 0 6 2 2 0 7 28 1 0 8 7 1 0 9 1 2 0 10 7 2 0 11 12 1 0 12 5 1 0 13 5 1 0 14 8 2 0 15 8 1 0 16 13 1 0 17 3 1 0 18 3 1 0 19 17 1 0 20 18 1 0 21 23 1 0 22 14 1 0 23 15 2 0 24 21 1 0 25 4 1 0 26 2 1 0 27 25 1 0 28 27 1 0 29 6 1 0 30 26 2 0 31 30 1 0 6 11 1 0 31 29 2 0 4 19 1 0 22 21 2 0 M END > 52740 > J. Med. Chem. 42(15)-1999 2774-2797 > D2 > 7.0400 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -14.3101 2.9843 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -15.6097 3.7348 0.0000 C 0 0 -11.7121 1.4840 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -13.0110 3.7342 0.0000 C 0 0 -14.3102 1.4843 0.0000 C 0 0 -3.9141 2.6966 0.0000 O 0 0 -15.6120 5.2349 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -13.0113 0.7342 0.0000 C 0 0 -11.7120 2.9841 0.0000 C 0 0 -14.3150 5.9900 0.0000 O 0 0 -10.4109 0.7361 0.0000 C 0 0 -16.9077 2.9830 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -16.9122 5.9830 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -14.3185 7.1900 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -18.2079 3.7310 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -18.2101 5.2310 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 2 0 3 11 1 0 4 1 1 0 5 9 2 0 6 3 1 0 7 19 1 0 8 2 1 0 9 1 1 0 10 5 1 0 11 17 1 0 12 16 1 0 13 4 2 0 14 6 2 0 15 4 1 0 16 7 1 0 17 7 1 0 18 14 1 0 19 26 1 0 20 6 1 0 21 8 2 0 22 14 1 0 23 15 1 0 24 10 2 0 25 18 1 0 26 27 1 0 27 23 1 0 28 20 2 0 29 21 1 0 30 28 1 0 31 24 1 0 8 10 1 0 29 31 2 0 3 12 1 0 30 22 2 0 M END > 113130 > J. Med. Chem. 46(18)-2003 3822-3839 > D2 > 7.0757 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 0.3263 15.4857 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3.2964 5.4106 0.0000 N 0 0 1.8106 15.7020 0.0000 C 0 0 2.7400 14.5246 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 -0.6013 16.6657 0.0000 C 0 0 2.1852 13.1310 0.0000 C 0 0 -0.2286 14.0921 0.0000 C 0 0 -0.1558 17.7799 0.0000 O 0 0 0.7008 12.9148 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2247 14.7441 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 3.1128 11.9511 0.0000 O 0 0 3.8536 6.8042 0.0000 C 0 0 -1.7890 16.4947 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.5556 10.5575 0.0000 C 0 0 4.6670 15.8596 0.0000 C 0 0 2.9260 7.9841 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 13 2 0 6 4 1 0 7 18 1 0 8 9 2 0 9 12 1 0 10 2 1 0 11 5 1 0 12 22 1 0 13 15 1 0 14 11 2 0 15 12 2 0 16 10 1 0 17 10 1 0 18 17 1 0 19 16 1 0 20 9 1 0 21 3 2 0 22 26 1 0 23 7 1 0 24 11 1 0 25 6 2 0 26 29 1 0 27 20 1 0 28 23 1 0 29 28 1 0 30 21 1 0 31 25 1 0 3 6 1 0 30 31 2 0 19 7 1 0 8 5 1 0 M END > 22122 > J. Med. Chem. 38(7)-1995 1119-1131 > D2 > 7.1805 $$$$ SciTegic07090714462D 31 34 0 0 0 0 999 V2000 -6.4915 3.7721 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -7.7958 3.0312 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 -5.1955 3.0153 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -3.8916 3.7585 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -7.8042 1.8312 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -6.4812 5.2721 0.0000 C 0 0 -9.0896 3.7902 0.0000 C 0 0 5.2066 1.4948 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 5.2111 2.6948 0.0000 C 0 0 6.2438 0.8913 0.0000 C 0 0 -7.7749 6.0311 0.0000 C 0 0 -9.0792 5.2902 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 2 12 1 0 3 1 1 0 4 2 1 0 5 4 1 0 6 1 1 0 7 10 1 0 8 6 1 0 9 8 2 0 10 9 1 0 11 5 1 0 12 16 1 0 13 15 1 0 14 3 2 0 15 7 1 0 16 7 1 0 17 1 1 0 18 3 1 0 19 11 1 0 20 5 2 0 21 4 2 0 22 8 1 0 23 9 1 0 24 19 1 0 25 19 1 0 26 17 1 0 27 26 1 0 28 29 2 0 29 21 1 0 30 22 2 0 31 30 1 0 18 27 1 0 31 23 2 0 13 2 1 0 20 28 1 0 M END > 26523 > J. Med. Chem. 38(21)-1995 4211-4222 > D2 > 7.3372 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.7424 14.5246 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 1.8195 15.7115 0.0000 C 0 0 2.1853 13.1310 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.3296 15.8119 0.0000 N 0 0 3.2965 5.4106 0.0000 N 0 0 1.2517 3.8078 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 2.3705 17.1012 0.0000 C 0 0 0.9975 12.9600 0.0000 O 0 0 3.1128 11.9511 0.0000 N 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.2432 14.7506 0.0000 C 0 0 -0.0472 17.2360 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 4.7942 16.1404 0.0000 C 0 0 1.2165 18.0491 0.0000 C 0 0 3.8561 17.3360 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 8 1 0 5 1 1 0 6 2 1 0 7 4 1 0 8 16 1 0 9 3 2 0 10 7 1 0 11 17 1 0 12 5 1 0 13 5 1 0 14 7 2 0 15 8 2 0 16 27 1 0 17 13 1 0 18 12 1 0 19 4 2 0 20 10 1 0 21 3 1 0 22 11 1 0 23 19 1 0 24 14 1 0 25 23 2 0 26 9 1 0 27 29 1 0 28 22 1 0 29 28 1 0 30 21 2 0 31 30 1 0 9 6 1 0 18 11 1 0 31 26 2 0 14 25 1 0 24 20 1 0 M END > 34350 > J. Med. Chem. 39(24)-1996 4692-4703 > D2 > 7.4685 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 2.2325 -1.4158 0.0000 C 0 0 0.7442 -1.6517 0.0000 N 0 0 2.9404 0.0000 0.0000 N 0 0 13.4465 2.6475 0.0000 O 0 0 0.0000 -0.7623 0.0000 C 0 0 11.9371 5.2337 0.0000 O 0 0 9.6887 1.3225 0.0000 N 0 0 14.1888 3.9475 0.0000 C 0 0 11.9350 2.6317 0.0000 C 0 0 13.4341 5.2407 0.0000 C 0 0 2.9416 -2.3838 0.0000 O 0 0 2.2507 1.3976 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 4.4422 0.0064 0.0000 C 0 0 11.1895 1.3292 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 11.1790 3.9245 0.0000 C 0 0 8.9356 2.6198 0.0000 C 0 0 8.9417 0.0217 0.0000 C 0 0 5.1878 1.3090 0.0000 C 0 0 6.6886 1.3155 0.0000 C 0 0 7.4356 2.6163 0.0000 C 0 0 7.4417 0.0182 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 15.6859 3.9545 0.0000 C 0 0 14.1764 6.5407 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 16.4282 5.2545 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 15.6734 6.5477 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 2 1 0 6 17 1 0 7 19 1 0 8 4 1 0 9 15 1 0 10 6 1 0 11 1 2 0 12 3 1 0 13 5 2 0 14 3 1 0 15 7 1 0 16 12 1 0 17 9 1 0 18 22 1 0 19 23 1 0 20 14 1 0 21 20 1 0 22 21 1 0 23 21 1 0 24 5 1 0 25 8 2 0 26 10 2 0 27 13 1 0 28 24 2 0 29 25 1 0 30 28 1 0 31 26 1 0 16 13 1 0 27 30 2 0 18 7 1 0 10 8 1 0 29 31 2 0 M END > 60707 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 7.5528 $$$$ SciTegic07090714462D 31 36 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 10.5403 7.2464 0.0000 C 0 0 11.9978 7.3749 0.0000 N 0 0 9.9162 8.5899 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 6.0641 2.0369 0.0000 C 0 0 9.7944 5.9441 0.0000 N 0 0 12.3170 8.8432 0.0000 S 0 0 4.7540 2.7675 0.0000 C 0 0 8.3034 3.3408 0.0000 N 0 0 11.0252 9.5925 0.0000 C 0 0 7.5546 2.0401 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 2.0907 -2.3426 0.0000 O 0 0 10.5489 4.6477 0.0000 C 0 0 8.2944 5.9389 0.0000 C 0 0 9.8034 3.3461 0.0000 C 0 0 7.5489 4.6373 0.0000 C 0 0 8.4801 9.0367 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 10.7252 11.0663 0.0000 C 0 0 8.1678 10.5239 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 9.2769 11.5265 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 12 1 0 5 4 2 0 6 4 1 0 7 10 1 0 8 2 1 0 9 3 1 0 10 1 1 0 11 7 1 0 12 21 1 0 13 5 1 0 14 7 1 0 15 17 1 0 16 6 2 0 17 11 1 0 18 3 2 0 19 2 2 0 20 22 1 0 21 23 1 0 22 15 1 0 23 15 1 0 24 6 1 0 25 8 2 0 26 9 2 0 27 16 1 0 28 24 2 0 29 26 1 0 30 25 1 0 31 28 1 0 9 8 1 0 11 14 1 0 29 30 2 0 12 20 1 0 13 16 1 0 27 31 2 0 M END > 28124 > J. Med. Chem. 39(1)-1996 149-157 > D2 > 7.6198 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 6.9854 8.9480 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 7.4507 10.3748 0.0000 C 0 0 6.4391 11.5072 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 6.9302 12.9288 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.0553 6.0958 0.0000 N 0 0 8.3950 13.2280 0.0000 C 0 0 6.1990 14.2309 0.0000 O 0 0 8.5569 14.7125 0.0000 O 0 0 7.1850 15.3255 0.0000 C 0 0 5.5178 8.6377 0.0000 C 0 0 7.9879 7.8322 0.0000 C 0 0 -4.6560 0.8780 0.0000 O 0 0 8.9168 10.6736 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 9.4043 12.1130 0.0000 C 0 0 7.5228 6.4061 0.0000 C 0 0 5.0528 7.2117 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 5.5870 4.6698 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2 18 1 0 3 12 1 0 4 1 2 0 5 6 2 0 6 1 1 0 7 2 1 0 8 7 2 0 9 10 1 0 10 4 1 0 11 8 1 0 12 1 1 0 13 28 1 0 14 24 1 0 15 11 1 0 16 14 1 0 17 15 1 0 18 26 1 0 19 25 1 0 20 9 2 0 21 7 1 0 22 23 1 0 23 12 2 0 24 21 2 0 25 13 1 0 26 13 1 0 27 9 1 0 28 30 1 0 29 6 1 0 30 31 1 0 31 29 1 0 5 3 1 0 22 10 2 0 19 2 1 0 11 14 2 0 16 17 1 0 M END > 132159 > J. Med. Chem. 47(19)-2004 4677-4683 > D2 > 7.6576 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 2.7424 14.5246 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 4.1679 14.8542 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 1.7138 -1.2033 0.0000 S 0 0 1.9378 15.7684 0.0000 C 0 0 4.2801 16.3527 0.0000 N 0 0 2.1853 13.1310 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.8968 16.9153 0.0000 C 0 0 3.2965 5.4106 0.0000 N 0 0 3.6621 2.8384 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 0.9975 12.9600 0.0000 O 0 0 3.1128 11.9511 0.0000 N 0 0 4.2218 4.2301 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.4535 16.0113 0.0000 C 0 0 3.8536 6.8042 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.3950 18.3331 0.0000 C 0 0 2.5557 10.5575 0.0000 C 0 0 2.9261 7.9841 0.0000 C 0 0 3.4832 9.3777 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -0.0623 17.4408 0.0000 C 0 0 0.8967 18.5877 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 6 1 0 3 2 2 0 4 2 1 0 5 1 2 0 6 15 1 0 7 3 1 0 8 1 1 0 9 5 1 0 10 1 1 0 11 4 2 0 12 8 2 0 13 22 1 0 14 18 1 0 15 19 1 0 16 10 2 0 17 10 1 0 18 13 1 0 19 13 1 0 20 4 1 0 21 8 1 0 22 26 1 0 23 11 1 0 24 12 1 0 25 17 1 0 26 27 1 0 27 25 1 0 28 20 2 0 29 21 2 0 30 29 1 0 31 28 1 0 12 9 1 0 30 24 2 0 14 6 1 0 11 7 1 0 31 23 2 0 M END > 34355 > J. Med. Chem. 39(24)-1996 4692-4703 > D2 > 7.8539 $$$$ SciTegic07090714462D 31 36 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 13.0570 0.7749 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 13.9900 -0.3522 0.0000 N 0 0 13.8091 2.0512 0.0000 C 0 0 11.5615 0.6500 0.0000 N 0 0 15.3802 0.2183 0.0000 S 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 8.5718 0.4002 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 15.2639 1.7071 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 7.0761 0.2776 0.0000 C 0 0 10.9222 -0.7070 0.0000 C 0 0 10.7059 1.8821 0.0000 C 0 0 9.4275 -0.8319 0.0000 C 0 0 9.2111 1.7572 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 13.3619 3.4872 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 16.3071 2.7905 0.0000 C 0 0 14.4092 4.5884 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 15.8641 4.2443 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 2 2 0 5 2 1 0 6 17 1 0 7 4 1 0 8 1 1 0 9 3 1 0 10 15 1 0 11 8 1 0 12 5 2 0 13 1 1 0 14 3 2 0 15 22 1 0 16 18 1 0 17 19 1 0 18 10 1 0 19 10 1 0 20 13 1 0 21 13 1 0 22 21 1 0 23 20 1 0 24 5 1 0 25 9 2 0 26 11 2 0 27 12 1 0 28 24 2 0 29 25 1 0 30 26 1 0 31 28 1 0 9 11 1 0 23 15 1 0 29 30 2 0 16 6 1 0 7 12 1 0 27 31 2 0 M END > 28136 > J. Med. Chem. 39(1)-1996 149-157 > D2 > 8.1192 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 10.4385 -8.4698 0.0000 C 0 0 11.9015 -8.4567 0.0000 N 0 0 0.7442 -1.6517 0.0000 C 0 0 9.9473 -9.8674 0.0000 C 0 0 9.5701 -7.2458 0.0000 N 0 0 12.3614 -9.8873 0.0000 S 0 0 2.2325 -1.4158 0.0000 N 0 0 0.0000 -0.7623 0.0000 C 0 0 11.1481 -10.7580 0.0000 C 0 0 7.8342 -4.7989 0.0000 N 0 0 0.3232 -2.7755 0.0000 O 0 0 8.0767 -7.3857 0.0000 C 0 0 10.1956 -5.8824 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 7.2087 -6.1623 0.0000 C 0 0 9.3277 -4.6590 0.0000 C 0 0 8.5611 -10.4509 0.0000 C 0 0 2.9404 0.0000 0.0000 C 0 0 3.1043 -2.6385 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 6.9633 -3.5766 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 10.9920 -12.2538 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 4.5984 -2.4964 0.0000 C 0 0 5.4693 -3.7187 0.0000 C 0 0 8.3942 -11.9615 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 9.5950 -12.8520 0.0000 C 0 0 2 1 2 0 3 7 1 0 4 1 1 0 5 1 1 0 6 2 1 0 7 19 1 0 8 3 1 0 9 4 2 0 10 16 1 0 11 3 2 0 12 5 1 0 13 5 1 0 14 8 1 0 15 12 1 0 16 13 1 0 17 4 1 0 18 7 1 0 19 26 1 0 20 8 2 0 21 10 1 0 22 18 1 0 23 22 1 0 24 9 1 0 25 14 2 0 26 27 1 0 27 21 1 0 28 17 2 0 29 20 1 0 30 29 2 0 31 28 1 0 9 6 1 0 10 15 1 0 24 31 2 0 14 23 1 0 25 30 1 0 M END > 18361 > J. Med. Chem. 37(16)-1994 2552-2563 > D2 > 8.2840 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 -13.0564 -0.9036 0.0000 C 0 0 -14.0564 -2.0216 0.0000 N 0 0 -11.7030 -1.5202 0.0000 N 0 0 -1.2964 1.4973 0.0000 O 0 0 -13.3022 -3.3182 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -13.3027 0.2709 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -11.8360 -3.0015 0.0000 C 0 0 -15.5494 -1.8696 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1030 -1.5161 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -16.2621 -0.5554 0.0000 C 0 0 -16.3300 -3.1526 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -17.8295 -3.1134 0.0000 C 0 0 -17.7616 -0.5162 0.0000 C 0 0 -18.5453 -1.7952 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 2 1 0 6 16 1 0 7 18 1 0 8 4 1 0 9 15 1 0 10 1 2 0 11 6 1 0 12 3 1 0 13 2 1 0 14 3 1 0 15 7 1 0 16 9 1 0 17 21 1 0 18 22 1 0 19 14 1 0 20 19 1 0 21 20 1 0 22 20 1 0 23 8 1 0 24 11 1 0 25 13 1 0 26 13 2 0 27 23 2 0 28 24 2 0 29 26 1 0 30 25 2 0 31 29 2 0 5 12 1 0 31 30 1 0 17 7 1 0 11 8 2 0 27 28 1 0 M END > 60694 > J. Med. Chem. 43(20)-2000 3653-3664 > D2 > 8.3468 $$$$ SciTegic07090714462D 31 35 0 0 0 0 999 V2000 3.5459 0.5703 0.0000 C 0 0 -8.3323 1.3642 0.0000 N 0 0 2.1694 1.1531 0.0000 C 0 0 -9.7136 1.9509 0.0000 C 0 0 2.5789 -0.5703 0.0000 C 0 0 5.0089 0.0248 0.0000 C 0 0 3.5459 2.2565 0.0000 C 0 0 -5.5710 0.1912 0.0000 N 0 0 4.8106 2.8516 0.0000 C 0 0 3.7195 0.0000 0.0000 C 0 0 6.1000 0.5703 0.0000 C 0 0 -8.1498 -0.1247 0.0000 C 0 0 -7.1341 2.2666 0.0000 C 0 0 2.0215 2.3439 0.0000 O 0 0 -9.8985 3.4396 0.0000 C 0 0 3.7195 1.5374 0.0000 C 0 0 5.1825 -0.5703 0.0000 C 0 0 6.1000 2.2565 0.0000 C 0 0 0.9718 0.2485 0.0000 N 0 0 -6.7692 -0.7111 0.0000 C 0 0 -5.7535 1.6802 0.0000 C 0 0 -8.7029 4.3469 0.0000 O 0 0 -4.1884 -0.3927 0.0000 C 0 0 -10.9104 1.0467 0.0000 C 0 0 -11.2800 4.0238 0.0000 C 0 0 -0.4107 0.8325 0.0000 C 0 0 -8.8525 5.5375 0.0000 C 0 0 -2.9908 0.5118 0.0000 C 0 0 -1.6083 -0.0721 0.0000 C 0 0 -12.2920 1.6309 0.0000 C 0 0 -12.4767 3.1195 0.0000 C 0 0 2 13 1 0 3 1 1 0 4 2 1 0 5 1 1 0 6 1 1 0 7 1 1 0 8 23 1 0 9 7 1 0 10 5 1 0 11 6 1 0 12 20 1 0 13 21 1 0 14 3 2 0 15 4 2 0 16 9 1 0 17 11 1 0 18 9 1 0 19 3 1 0 20 8 1 0 21 8 1 0 22 15 1 0 23 28 1 0 24 4 1 0 25 15 1 0 26 19 1 0 27 22 1 0 28 29 1 0 29 26 1 0 30 24 2 0 31 30 1 0 18 11 1 0 16 10 1 0 17 10 1 0 2 12 1 0 31 25 2 0 M END > 66877 > J. Med. Chem. 34(8)-1991 2633-2638 > D2 > 8.5686 $$$$ SciTegic07090714462D 31 36 0 0 0 0 999 V2000 -8.4666 -1.4015 0.0000 C 0 0 -9.1968 -2.7060 0.0000 N 0 0 -10.8211 -0.9325 0.0000 N 0 0 -0.6588 0.1464 0.0000 C 0 0 -9.4855 -0.3127 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -10.6644 -2.4213 0.0000 C 0 0 -1.9399 0.8968 0.0000 O 0 0 -7.1699 -2.1148 0.0000 C 0 0 -8.4892 0.1085 0.0000 C 0 0 -1.9399 -2.0863 0.0000 O 0 0 -0.6588 -1.3543 0.0000 C 0 0 -5.8574 0.1422 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 -8.5651 -4.0673 0.0000 C 0 0 -9.2565 0.8653 0.0000 O 0 0 -4.5586 0.8943 0.0000 C 0 0 -5.8463 -1.3362 0.0000 C 0 0 -7.2073 0.8883 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 -9.3336 -5.3499 0.0000 C 0 0 -7.0636 -4.0861 0.0000 C 0 0 -8.6040 -6.6605 0.0000 C 0 0 -6.3339 -5.3967 0.0000 C 0 0 -7.1042 -6.6839 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 8 1 0 5 1 1 0 6 4 2 0 7 2 1 0 8 16 1 0 9 1 1 0 10 1 1 0 11 26 1 0 12 11 1 0 13 23 1 0 14 6 1 0 15 14 1 0 16 21 1 0 17 18 2 0 18 6 1 0 19 2 1 0 20 5 2 0 21 13 1 0 22 9 1 0 23 10 1 0 24 12 2 0 25 24 1 0 26 16 1 0 27 19 1 0 28 19 2 0 29 27 2 0 30 28 1 0 31 30 2 0 22 13 1 0 3 7 1 0 31 29 1 0 12 4 1 0 25 14 2 0 15 17 1 0 M END > 10922 > J. Med. Chem. 35(16)-1992 3058-3066 > D2 > 9.6990 $$$$ SciTegic07090714462D 32 36 0 0 1 0 999 V2000 5.3127 -2.0342 0.0000 N 0 0 6.6619 -2.7815 0.0000 C 0 0 5.3029 -0.5558 0.0000 C 0 0 -3.6737 0.0784 0.0000 C 0 0 -2.4416 -2.0832 0.0000 C 0 0 3 0 0 0 -3.6737 -1.3328 0.0000 C 0 0 -1.1872 -2.7888 0.0000 N 0 0 -1.1760 0.0784 0.0000 O 0 0 7.9233 -0.4929 0.0000 C 0 0 -2.4416 0.7952 0.0000 C 0 0 6.6272 0.2216 0.0000 C 0 0 7.9445 -2.0029 0.0000 C 0 0 -1.1760 -1.3328 0.0000 C 0 0 6.6857 -3.9813 0.0000 O 0 0 4.2596 0.0371 0.0000 O 0 0 -4.9281 0.7952 0.0000 C 0 0 4.0132 -2.7851 0.0000 C 0 0 -1.1872 -4.2113 0.0000 C 0 0 -3.6737 -2.7888 0.0000 C 0 0 -6.2281 0.0443 0.0000 O 0 0 0.1127 -2.0376 0.0000 C 0 0 -3.6737 -4.2113 0.0000 C 0 0 8.6547 0.8110 0.0000 C 0 0 8.9412 -1.5826 0.0000 C 0 0 -3.6737 2.9456 0.0000 C 0 0 -2.4416 2.2400 0.0000 C 0 0 -4.9281 2.2400 0.0000 C 0 0 -7.2678 0.6435 0.0000 C 0 0 2.7127 -2.0359 0.0000 C 0 0 1.4132 -2.7868 0.0000 C 0 0 10.2773 -0.9641 0.0000 C 0 0 10.1220 0.5250 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 6 1 0 5 7 1 0 6 5 1 0 7 21 1 0 8 13 1 0 9 11 1 0 10 8 1 0 11 3 1 0 12 2 1 0 13 5 1 0 14 2 2 0 15 3 2 0 16 4 2 0 17 1 1 0 18 7 1 0 5 19 1 4 20 16 1 0 21 30 1 0 22 18 1 0 23 9 1 0 24 9 1 0 25 26 1 0 26 10 2 0 27 16 1 0 28 20 1 0 29 17 1 0 30 29 1 0 31 24 1 0 32 23 1 0 12 9 1 0 32 31 1 0 22 19 1 0 4 10 1 0 27 25 2 0 M END > 33823 > J. Med. Chem. 39(21)-1996 4285-4298 > D2 > 4.9469 $$$$ SciTegic07090714462D 32 36 0 0 1 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -6.4953 3.0120 0.0000 N 0 0 -3.9086 1.5029 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -7.7890 3.7729 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -5.1956 3.7549 0.0000 C 0 0 2 0 0 0 -3.9021 3.0007 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.0953 3.0340 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -6.5108 1.4992 0.0000 C 0 0 -5.2173 0.7450 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -10.4425 3.6640 0.0000 O 0 0 -7.7788 4.9729 0.0000 O 0 0 -9.2430 1.5540 0.0000 C 0 0 -11.4536 2.5560 0.0000 C 0 0 -10.7123 1.2520 0.0000 C 0 0 -1.2928 -2.6973 0.0000 N 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8911 1.5017 0.0000 O 0 0 -5.1893 5.2519 0.0000 C 0 0 -2.6024 3.7436 0.0000 C 0 0 3.8894 -2.7017 0.0000 C 0 0 3.8894 2.7017 0.0000 C 0 0 -3.8896 5.9948 0.0000 C 0 0 -2.5961 5.2407 0.0000 C 0 0 2 1 1 0 3 15 1 0 4 1 1 0 5 9 1 0 6 3 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 11 1 0 11 4 1 0 12 5 2 0 13 6 1 0 14 9 2 0 15 16 1 0 16 4 1 0 17 18 2 0 18 14 1 0 19 13 1 0 20 6 2 0 21 13 2 0 22 19 1 0 23 21 1 0 24 8 1 0 25 17 1 0 26 18 1 0 10 27 1 1 11 28 1 1 29 25 1 0 30 26 1 0 31 32 1 0 32 28 1 0 5 8 1 0 10 3 1 0 12 17 1 0 31 27 1 0 23 22 2 0 M END > 34164 > J. Med. Chem. 39(23)-1996 4602-4607 > D2 > 5.0800 $$$$ SciTegic07090714462D 32 36 0 0 1 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 1 0 0 0 6.5182 -9.2765 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2 0 0 0 2.1852 -2.6281 0.0000 N 0 0 5.0766 -8.8618 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 2.9039 -5.5373 0.0000 N 0 0 6.8799 -10.7322 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 7.3821 -8.4436 0.0000 O 0 0 4.7117 -7.4060 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 3.2688 -6.9932 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.9967 -9.9030 0.0000 C 0 0 -3.3560 1.3452 0.0000 F 0 0 3.1745 6.7076 0.0000 F 0 0 4.3584 -11.3587 0.0000 C 0 0 5.8000 -11.7734 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 1 1 0 3 6 1 6 7 15 1 0 8 5 1 0 9 21 1 0 10 4 1 0 11 2 2 0 5 12 1 1 13 1 2 0 14 4 2 0 15 20 1 0 16 6 1 0 17 6 1 0 18 12 2 0 19 12 1 0 20 9 1 0 21 17 1 0 22 16 1 0 23 13 1 0 24 23 2 0 25 26 1 0 26 19 2 0 27 18 1 0 28 7 1 0 29 23 1 0 30 25 1 0 31 28 1 0 32 31 1 0 3 8 1 0 24 11 1 0 25 27 2 0 9 22 1 0 32 10 1 0 M END > 71791 > J. Med. Chem. 36(19)-1993 2761-2770 > D2 > 5.3979 $$$$ SciTegic07090714462D 32 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -9.0922 -10.5182 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -9.0898 -12.0190 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 0 -10.3002 -12.8832 0.0000 O 0 0 -7.7941 -9.7650 0.0000 N 0 0 -10.1325 -9.9202 0.0000 O 0 0 -7.8732 -12.8745 0.0000 C 0 0 -9.8316 -14.3081 0.0000 C 0 0 -8.3316 -14.3027 0.0000 C 0 0 -1.2928 2.6973 0.0000 N 0 0 3.8911 1.5017 0.0000 O 0 0 3.8911 -1.5017 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -7.7964 -8.2641 0.0000 C 0 0 -4.9494 -0.9039 0.0000 C 0 0 -6.7537 -10.3630 0.0000 C 0 0 3.8894 2.7017 0.0000 C 0 0 3.8894 -2.7017 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.4983 -7.5109 0.0000 C 0 0 -6.5006 -6.0101 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 2 0 5 2 2 0 6 3 2 0 7 15 1 0 8 3 1 0 9 7 1 0 10 6 1 0 11 8 2 0 12 11 1 0 13 2 1 0 14 9 1 0 15 24 1 0 16 7 2 0 17 9 2 0 18 14 1 0 19 17 1 0 20 4 1 0 21 11 1 0 22 12 1 0 23 13 1 0 24 30 1 0 25 13 1 0 26 15 1 0 27 21 1 0 28 22 1 0 29 23 1 0 30 31 1 0 31 32 1 0 32 29 1 0 6 5 1 0 10 12 2 0 18 19 2 0 M END > 48394 > J. Med. Chem. 41(24)-1998 4844-4853 > D2 > 5.6300 $$$$ SciTegic07090714462D 32 33 0 0 1 0 999 V2000 2.5095 1.4489 0.0000 N 0 0 1.4489 -2.5095 0.0000 N 0 0 2.5096 -1.4489 0.0000 C 0 0 1.4489 2.5096 0.0000 C 0 0 -1.4489 2.5095 0.0000 N 0 0 2.8978 0.0000 0.0000 C 0 0 2 0 0 0 -1.4489 -2.5096 0.0000 C 0 0 -2.5095 -1.4489 0.0000 N 0 0 -2.6105 -8.9046 0.0000 C 0 0 -2.5096 1.4489 0.0000 C 0 0 0.0000 2.8978 0.0000 C 0 0 1 0 0 0 0.0000 -2.8978 0.0000 C 0 0 1 0 0 0 -3.6506 -9.5032 0.0000 N 0 0 3.5488 -2.0489 0.0000 O 0 0 2.0489 3.5488 0.0000 O 0 0 4.4057 -0.0030 0.0000 C 0 0 -2.0489 -3.5488 0.0000 O 0 0 -2.8978 0.0000 0.0000 C 0 0 -3.5488 2.0489 0.0000 O 0 0 -2.6075 -7.4038 0.0000 N 0 0 -1.5723 -9.5064 0.0000 N 0 0 5.1543 -1.3038 0.0000 C 0 0 6.6455 -3.9070 0.0000 C 0 0 6.6544 -1.3090 0.0000 C 0 0 4.4000 -2.6003 0.0000 C 0 0 5.1455 -3.9019 0.0000 C 0 0 7.3999 -2.6105 0.0000 C 0 0 7.2420 -4.9483 0.0000 O 0 0 -0.0030 -4.4057 0.0000 C 0 0 0.0000 4.0978 0.0000 C 0 0 -1.3068 -6.6552 0.0000 C 0 0 -1.3038 -5.1543 0.0000 C 0 0 2 3 1 0 3 6 1 0 4 1 1 0 5 11 1 0 6 1 1 0 7 12 1 0 8 7 1 0 9 20 1 0 10 5 1 0 11 4 1 0 12 2 1 0 13 9 2 0 14 3 2 0 15 4 2 0 6 16 1 1 17 7 2 0 18 10 1 0 19 10 2 0 20 31 1 0 21 9 1 0 22 16 1 0 23 26 1 0 24 22 2 0 25 22 1 0 26 25 2 0 27 24 1 0 28 23 1 0 12 29 1 6 11 30 1 1 31 32 1 0 32 29 1 0 23 27 2 0 8 18 1 0 M END > 112269 > J. Med. Chem. 46(14)-2003 3094-3101 > D2 > 5.6326 $$$$ SciTegic07090714462D 32 37 0 0 0 0 999 V2000 0.8944 2.4276 0.0000 S 0 0 -0.9674 2.4458 0.0000 N 0 0 1.2777 0.9674 0.0000 C 0 0 -10.2997 3.2140 0.0000 C 0 0 -11.3570 4.2253 0.0000 N 0 0 -1.2594 0.9674 0.0000 C 0 0 0.0000 0.2373 0.0000 C 0 0 -10.8987 1.8591 0.0000 C 0 0 -8.8287 3.5115 0.0000 N 0 0 -12.6717 3.4975 0.0000 O 0 0 2.0806 2.2465 0.0000 O 0 0 0.4290 3.5337 0.0000 O 0 0 -12.3836 2.0322 0.0000 C 0 0 -5.8882 4.1063 0.0000 N 0 0 -8.3512 4.9335 0.0000 C 0 0 -7.8361 2.3869 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 -1.9533 3.5688 0.0000 C 0 0 -6.8809 5.2308 0.0000 C 0 0 -6.3659 2.6843 0.0000 C 0 0 -3.4249 3.2743 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 -10.2880 0.4847 0.0000 C 0 0 -4.4166 4.4008 0.0000 C 0 0 -2.5371 -1.2229 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 -13.2941 0.8351 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 1.2777 -1.9530 0.0000 C 0 0 -11.2006 -0.7305 0.0000 C 0 0 -12.6855 -0.5574 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 4 2 0 6 2 1 0 7 3 2 0 8 4 1 0 9 16 1 0 10 5 1 0 11 1 2 0 12 1 2 0 13 8 2 0 14 25 1 0 15 19 1 0 16 20 1 0 17 7 1 0 18 2 1 0 19 14 1 0 20 14 1 0 21 18 1 0 22 3 1 0 23 6 2 0 24 8 1 0 25 21 1 0 26 23 1 0 27 22 2 0 28 13 1 0 29 17 1 0 30 27 1 0 31 24 2 0 32 31 1 0 6 7 1 0 30 17 2 0 29 26 2 0 9 15 1 0 13 10 1 0 32 28 2 0 M END > 66520 > J. Med. Chem. 34(8)-1991 2477-2483 > D2 > 6.0044 $$$$ SciTegic07090714462D 32 36 0 0 1 0 999 V2000 -3.4468 -2.5227 0.0000 N 0 0 -4.6957 -3.3469 0.0000 C 0 0 -2.3229 -3.4968 0.0000 C 0 0 -2.7974 -4.7956 0.0000 C 0 0 2 0 0 0 -4.3210 -4.7706 0.0000 C 0 0 1 0 0 0 -2.0981 -6.1194 0.0000 C 0 0 1 0 0 0 -5.0454 -6.0444 0.0000 C 0 0 2 0 0 0 -3.4948 10.9795 0.0000 C 0 0 -0.8795 6.4865 0.0000 N 0 0 -2.8224 -7.3932 0.0000 C 0 0 -4.3210 -7.4182 0.0000 C 0 0 -3.5967 -5.6198 0.0000 C 0 0 -2.1927 10.2332 0.0000 C 0 0 -0.8866 7.9872 0.0000 C 0 0 -0.8653 3.4864 0.0000 N 0 0 -2.1880 8.7332 0.0000 C 0 0 -1.1599 -3.2011 0.0000 O 0 0 -5.8177 -2.9213 0.0000 O 0 0 -3.4517 -1.0247 0.0000 O 0 0 -2.1750 5.7303 0.0000 C 0 0 0.4231 5.7426 0.0000 C 0 0 -4.5325 10.3769 0.0000 F 0 0 -3.4982 12.1795 0.0000 F 0 0 -4.5356 11.5768 0.0000 F 0 0 0.4301 4.2426 0.0000 C 0 0 -2.1679 4.2303 0.0000 C 0 0 -0.8613 1.9856 0.0000 C 0 0 -2.1585 1.2308 0.0000 C 0 0 -0.8960 10.9873 0.0000 C 0 0 0.4101 8.7414 0.0000 C 0 0 0.4054 10.2414 0.0000 C 0 0 -2.1545 -0.2700 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 1 1 5 2 1 1 6 4 1 0 7 5 1 0 8 13 1 0 9 20 1 0 10 6 1 0 11 7 1 0 6 12 1 6 13 16 1 0 14 9 1 0 15 27 1 0 16 14 2 0 17 3 2 0 18 2 2 0 19 1 1 0 20 26 1 0 21 25 1 0 22 8 1 0 23 8 1 0 24 8 1 0 25 15 1 0 26 15 1 0 27 28 1 0 28 32 1 0 29 31 1 0 30 14 1 0 31 30 2 0 32 19 1 0 4 5 1 0 7 12 1 6 10 11 2 0 9 21 1 0 29 13 2 0 M END > 160400 > J. Med. Chem. 48(17)-2005 5495-5503 > D2 > 6.1739 $$$$ SciTegic07090714462D 32 36 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 5.0454 -1.1042 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 15.4784 -2.9404 0.0000 N 0 0 4.8401 1.3141 0.0000 O 0 0 6.4277 -0.5216 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 16.7628 -3.7165 0.0000 C 0 0 6.3008 0.9730 0.0000 C 0 0 12.9107 -1.3888 0.0000 N 0 0 14.1646 -3.6643 0.0000 C 0 0 15.5083 -1.4407 0.0000 C 0 0 16.7354 -5.2164 0.0000 C 0 0 14.2245 -0.6649 0.0000 C 0 0 12.8808 -2.8885 0.0000 C 0 0 9.0250 -0.5677 0.0000 N 0 0 7.7116 -1.2939 0.0000 C 0 0 15.4236 -5.9455 0.0000 O 0 0 11.6246 -0.6152 0.0000 C 0 0 18.0755 -2.9906 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 18.0204 -5.9901 0.0000 C 0 0 10.3111 -1.3413 0.0000 C 0 0 15.4033 -7.1454 0.0000 C 0 0 19.3606 -3.7643 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 19.3330 -5.2641 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 1 2 0 6 14 1 0 7 2 1 0 8 3 1 0 9 4 1 0 10 5 1 0 11 6 1 0 12 7 1 0 13 22 1 0 14 18 1 0 15 17 1 0 16 11 2 0 17 13 1 0 18 13 1 0 19 20 1 0 20 8 1 0 21 16 1 0 22 27 1 0 23 11 1 0 24 9 2 0 25 10 2 0 26 16 1 0 27 19 1 0 28 21 1 0 29 23 2 0 30 24 1 0 31 25 1 0 32 29 1 0 10 9 1 0 12 8 2 0 30 31 2 0 6 15 1 0 32 26 2 0 M END > 113138 > J. Med. Chem. 46(18)-2003 3822-3839 > D2 > 6.2857 $$$$ SciTegic07090714462D 32 36 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 11.6348 -5.0910 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 13.1354 -5.0741 0.0000 C 0 0 8.6349 -5.1249 0.0000 N 0 0 4.6772 1.0770 0.0000 O 0 0 10.8702 -3.8005 0.0000 C 0 0 10.8995 -6.3984 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 13.8729 -3.7678 0.0000 C 0 0 7.1341 -5.1388 0.0000 C 0 0 9.3996 -6.4154 0.0000 C 0 0 9.3703 -3.8175 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3709 -3.8465 0.0000 C 0 0 13.1126 -2.4738 0.0000 O 0 0 13.8981 -6.3658 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 15.3729 -3.7533 0.0000 C 0 0 13.7041 -1.4297 0.0000 C 0 0 15.3981 -6.3512 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 16.1354 -5.0450 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 1 0 6 12 1 0 7 3 1 0 8 4 1 0 9 6 1 0 10 17 1 0 11 2 2 0 12 19 1 0 13 18 1 0 14 5 1 0 15 5 1 0 16 9 2 0 17 22 1 0 18 10 1 0 19 10 1 0 20 15 1 0 21 14 1 0 22 20 1 0 23 16 1 0 24 9 1 0 25 7 2 0 26 8 2 0 27 16 1 0 28 23 1 0 29 24 2 0 30 25 1 0 31 26 1 0 32 29 1 0 8 7 1 0 30 31 2 0 21 22 1 0 6 13 1 0 32 27 2 0 M END > 113137 > J. Med. Chem. 46(18)-2003 3822-3839 > D2 > 6.6126 $$$$ SciTegic07090714462D 32 36 0 0 0 0 999 V2000 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 N 0 0 -2.4915 -1.3190 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 N 0 0 -12.8014 -2.8416 0.0000 N 0 0 1.2274 -0.6045 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -14.1013 -3.5917 0.0000 C 0 0 -10.2029 -1.3422 0.0000 N 0 0 -2.5030 -2.5190 0.0000 O 0 0 -3.7006 0.8244 0.0000 C 0 0 -11.5025 -3.5919 0.0000 C 0 0 -12.8010 -1.3416 0.0000 C 0 0 -14.1041 -5.0917 0.0000 C 0 0 -11.5018 -0.5919 0.0000 C 0 0 -10.2033 -2.8422 0.0000 C 0 0 -5.0029 -1.3524 0.0000 C 0 0 -12.8073 -5.8472 0.0000 O 0 0 2.4732 1.5389 0.0000 C 0 0 -8.9014 -0.5947 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 -15.3990 -2.8393 0.0000 C 0 0 -15.4045 -5.8393 0.0000 C 0 0 -12.8113 -7.0472 0.0000 C 0 0 -6.3014 -0.5998 0.0000 C 0 0 -7.6029 -1.3473 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 -16.6994 -3.5870 0.0000 C 0 0 -16.7022 -5.0870 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 1 0 6 3 1 0 7 14 1 0 8 4 1 0 9 2 1 0 10 7 1 0 11 22 1 0 12 3 2 0 13 6 1 0 14 18 1 0 15 17 1 0 16 10 2 0 17 11 1 0 18 11 1 0 19 6 1 0 20 16 1 0 21 5 2 0 22 28 1 0 23 8 2 0 24 10 1 0 25 16 1 0 26 20 1 0 27 19 1 0 28 27 1 0 29 21 1 0 30 23 1 0 31 24 2 0 32 31 1 0 8 5 1 0 13 9 1 0 29 30 2 0 7 15 1 0 32 25 2 0 M END > 113146 > J. Med. Chem. 46(18)-2003 3822-3839 > D2 > 7.3468 $$$$ SciTegic07090714462D 32 37 0 0 1 0 999 V2000 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 N 0 0 -2.4915 -1.3190 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 N 0 0 0.0000 -1.3190 0.0000 S 0 0 1.2274 0.8244 0.0000 C 0 0 -9.9697 -1.8273 0.0000 C 0 0 1 0 0 0 -11.4701 -1.8190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 -12.2278 -3.1143 0.0000 C 0 0 -7.6029 -1.3473 0.0000 N 0 0 -5.0029 -1.3524 0.0000 C 0 0 -9.2269 -3.1311 0.0000 C 0 0 2 0 0 0 -8.9619 -0.7207 0.0000 C 0 0 -11.4758 -4.4023 0.0000 C 0 0 2.4732 1.5389 0.0000 N 0 0 -7.7393 -2.8351 0.0000 C 0 0 -2.5030 -2.5190 0.0000 O 0 0 -4.7428 1.4191 0.0000 O 0 0 -9.9846 -4.4264 0.0000 C 0 0 -13.7032 -3.0994 0.0000 C 0 0 -6.3014 -0.5998 0.0000 C 0 0 -12.1971 -0.5244 0.0000 C 0 0 -14.4483 -4.4026 0.0000 O 0 0 2.4732 -1.3190 0.0000 C 0 0 -13.7133 -0.5068 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 -14.4710 -1.8022 0.0000 C 0 0 -15.6483 -4.4086 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 1 1 0 5 3 1 0 6 2 1 0 7 1 1 0 8 2 1 0 9 16 1 6 10 9 1 0 11 7 1 0 12 10 2 0 13 24 1 0 14 3 1 0 15 19 1 6 16 13 1 0 17 22 1 0 18 8 1 0 19 13 1 0 20 4 2 0 21 5 2 0 22 15 1 0 23 12 1 0 24 14 1 0 25 10 1 0 26 23 1 0 27 11 1 0 28 25 2 0 29 18 2 0 30 28 1 0 31 26 1 0 32 27 2 0 11 8 2 0 6 5 1 0 29 32 1 0 9 15 1 0 17 12 1 0 23 30 2 0 M END > 145689 > J. Med. Chem. 40(20)-1997 3141-3143 > D2 > 7.7055 $$$$ SciTegic07090714462D 32 36 0 0 0 0 999 V2000 -5.1356 14.2702 0.0000 C 0 0 -6.3314 15.1131 0.0000 N 0 0 -3.9212 15.1187 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -5.1444 12.7695 0.0000 N 0 0 -5.8702 16.5433 0.0000 S 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -4.3769 16.5426 0.0000 C 0 0 -5.1622 9.7694 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 -3.8499 12.0118 0.0000 C 0 0 -6.4479 12.0272 0.0000 C 0 0 -0.2489 3.5938 0.0000 O 0 0 -2.5870 3.7544 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -6.4568 10.5272 0.0000 C 0 0 -3.8587 10.5118 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.4550 14.7839 0.0000 C 0 0 -5.1681 8.2686 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.3774 17.6664 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -1.4381 15.9133 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -1.8938 17.3372 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 8 1 0 5 1 1 0 6 2 1 0 7 4 1 0 8 15 1 0 9 3 2 0 10 17 1 0 11 7 1 0 12 5 1 0 13 5 1 0 14 8 2 0 15 26 1 0 16 7 2 0 17 13 1 0 18 12 1 0 19 4 2 0 20 3 1 0 21 10 1 0 22 19 1 0 23 11 2 0 24 9 1 0 25 22 2 0 26 29 1 0 27 16 1 0 28 21 1 0 29 28 1 0 30 20 2 0 31 27 2 0 32 30 1 0 9 6 1 0 18 10 1 0 32 24 2 0 16 25 1 0 23 31 1 0 M END > 34349 > J. Med. Chem. 39(24)-1996 4692-4703 > D2 > 7.8539 $$$$ SciTegic07090714462D 32 35 0 0 0 0 999 V2000 -3.8056 3.8679 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.3372 5.2929 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -4.4693 9.0970 0.0000 N 0 0 -1.3786 3.8595 0.0000 C 0 0 -3.8545 10.4652 0.0000 C 0 0 -1.8372 5.2877 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 -4.2111 6.5099 0.0000 C 0 0 3.9046 0.7483 0.0000 O 0 0 -3.5939 7.8779 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.6606 10.5865 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -4.9460 3.4943 0.0000 C 0 0 -5.9617 8.9455 0.0000 C 0 0 -4.7319 11.6819 0.0000 C 0 0 5.2066 1.4948 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.2111 2.6948 0.0000 C 0 0 6.2438 0.8913 0.0000 C 0 0 -6.8391 10.1621 0.0000 C 0 0 -6.2242 11.5303 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 17 1 0 5 15 1 0 6 2 2 0 7 5 1 0 8 3 2 0 9 4 1 0 10 9 2 0 11 12 1 0 12 2 1 0 13 3 1 0 14 10 1 0 15 13 1 0 16 19 1 0 17 20 1 0 18 7 2 0 19 11 1 0 20 11 1 0 21 1 1 0 22 5 1 0 23 7 1 0 24 14 1 0 25 10 1 0 26 9 1 0 27 24 1 0 28 24 1 0 29 22 1 0 30 29 1 0 31 32 1 0 32 26 2 0 8 6 1 0 16 4 1 0 23 30 1 0 25 31 2 0 M END > 26513 > J. Med. Chem. 38(21)-1995 4198-4210 > D2 > 8.5229 $$$$ SciTegic07090714462D 33 37 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -0.9982 3.0140 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.7519 14.3014 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 -4.7211 12.9048 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 -2.3112 12.8648 0.0000 C 0 0 -3.5190 12.0390 0.0000 C 0 0 -9.8433 13.2170 0.0000 N 0 0 -4.2451 14.3220 0.0000 C 0 0 -0.9680 6.0137 0.0000 N 0 0 -8.6656 13.4470 0.0000 C 0 0 -6.1920 12.5909 0.0000 C 0 0 -2.2894 3.7767 0.0000 C 0 0 0.3086 3.7509 0.0000 C 0 0 4.6976 -1.0012 0.0000 O 0 0 -7.1926 13.7347 0.0000 C 0 0 -5.2285 15.4600 0.0000 C 0 0 4.6772 1.0770 0.0000 N 0 0 -2.2745 5.2767 0.0000 C 0 0 0.3235 5.2508 0.0000 C 0 0 -6.7167 15.1520 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9561 7.5145 0.0000 C 0 0 -3.5309 10.5382 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -2.2494 8.2760 0.0000 C 0 0 -2.2376 9.7767 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 2 0 5 6 1 0 6 3 2 0 7 11 1 0 8 3 1 0 9 12 1 0 10 2 1 0 11 12 2 0 12 30 1 0 13 16 3 0 14 9 1 0 15 25 1 0 16 21 1 0 17 9 2 0 18 5 1 0 19 5 1 0 20 10 2 0 21 17 1 0 22 14 2 0 23 10 1 0 24 18 1 0 25 19 1 0 26 21 2 0 27 6 1 0 28 8 2 0 29 15 1 0 30 33 1 0 31 28 1 0 32 29 1 0 33 32 1 0 8 4 1 0 27 31 2 0 24 15 1 0 7 14 1 0 26 22 1 0 M END > 132211 > J. Med. Chem. 47(19)-2004 4684-4692 > D2 > 7.4089 $$$$