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 $$$$ SciTegic07090714462D 12 13 0 0 1 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -2.6973 0.0000 F 0 0 -3.6486 1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 2 0 6 7 1 0 7 3 1 0 8 5 1 0 6 9 1 1 10 2 2 0 11 12 2 0 12 5 1 0 10 11 1 0 4 6 1 0 M END > 33942 > J. Med. Chem. 39(22)-1996 4421-4429 > D2 > 6.0635 $$$$ SciTegic07090714462D 13 14 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.0244 4.0756 0.0000 N 0 0 -3.3560 1.3452 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 2 5 1 0 3 1 1 0 4 3 2 0 5 1 1 0 6 2 2 0 7 5 2 0 8 9 2 0 9 7 1 0 10 13 1 0 11 8 1 0 12 4 1 0 13 12 1 0 4 2 1 0 6 8 1 0 M END > 158258 > J. Med. Chem. 39(4)-1996 850-859 > D2 > 3.7375 $$$$ SciTegic07090714462D 13 13 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0020 -3.0008 0.0000 C 0 0 1 0 0 0 2.3383 1.3500 0.0000 O 0 0 1.2942 -5.2546 0.0000 N 0 0 0.0000 2.7000 0.0000 O 0 0 -1.0422 -3.5991 0.0000 O 0 0 1.2962 -3.7538 0.0000 C 0 0 2.3323 -5.8567 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 2 2 0 5 3 1 0 6 5 2 0 7 3 1 0 8 2 1 0 9 12 1 0 10 4 1 0 7 11 1 6 12 7 1 0 13 9 1 0 6 4 1 0 M END > 158259 > J. Med. Chem. 39(4)-1996 850-859 > D2 > 3.8928 $$$$ SciTegic07090714462D 13 14 0 0 0 0 999 V2000 0.0000 -0.7623 0.0000 C 0 0 2.9404 0.0000 0.0000 N 0 0 0.7442 -1.6517 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2.2325 -1.4158 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 -1.5141 -2.7244 0.0000 O 0 0 4.1404 -0.0031 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 1 2 0 5 1 1 0 6 3 1 0 7 4 1 0 8 7 1 0 9 5 1 0 10 2 1 0 11 13 1 0 12 4 1 0 13 5 2 0 11 12 2 0 2 8 1 0 M END > 12261 > J. Med. Chem. 35(22)-1992 3984-3990 > D2 > 4.8239 $$$$ SciTegic07090714462D 14 16 0 0 0 0 999 V2000 0.0000 0.7068 0.0000 C 0 0 0.9498 1.8334 0.0000 C 0 0 0.6627 -0.5522 0.0000 C 0 0 -1.5683 0.7068 0.0000 C 0 0 2.2973 1.1928 0.0000 S 0 0 2.1205 -0.2651 0.0000 C 0 0 -2.3414 -0.5743 0.0000 C 0 0 -3.9539 1.2370 0.0000 N 0 0 -2.5402 1.8334 0.0000 N 0 0 0.0000 -1.8555 0.0000 C 0 0 -1.6125 -1.8776 0.0000 C 0 0 -3.8214 -0.2430 0.0000 C 0 0 0.6959 3.0062 0.0000 C 0 0 2.9998 -1.0817 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 4 2 0 8 9 1 0 9 4 1 0 10 3 1 0 11 7 1 0 12 7 1 0 13 2 1 0 14 6 1 0 6 5 1 0 8 12 2 0 11 10 1 0 M END > 119226 > Bioorg. Med. Chem. Lett. 13(17)-2003 2921-2924 > D2 > 5.3803 $$$$ SciTegic07090714462D 14 15 0 0 0 0 999 V2000 -4.2919 -1.4230 0.0000 N 0 0 -5.1640 -0.2295 0.0000 C 0 0 -2.8689 -0.9181 0.0000 C 0 0 -4.3608 0.9869 0.0000 S 0 0 -2.9378 0.5738 0.0000 C 0 0 0.3672 0.0000 0.0000 N 0 0 -1.6754 -1.7673 0.0000 C 0 0 -1.7902 1.5836 0.0000 C 0 0 -6.3637 -0.2580 0.0000 N 0 0 -0.3213 1.2853 0.0000 C 0 0 0.0000 -1.3541 0.0000 C 0 0 2.4812 1.5203 0.0000 C 0 0 3.6751 1.6412 0.0000 C 0 0 1.8647 0.1520 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 2 0 6 11 1 0 7 3 1 0 8 5 1 0 9 2 1 0 10 8 1 0 11 7 1 0 12 14 1 0 13 12 2 0 14 6 1 0 5 4 1 0 6 10 1 0 M END > 40300 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 5.5686 $$$$ SciTegic07090714462D 14 16 0 0 1 0 999 V2000 -1.2594 0.9674 0.0000 N 0 0 0.8944 2.4276 0.0000 N 0 0 -0.9674 2.4458 0.0000 C 0 0 0.0000 0.2373 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 1.2777 0.9674 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 -2.5371 -1.2229 0.0000 C 0 0 1 0 0 0 -3.8354 -1.9763 0.0000 N 0 0 1.2777 -1.9530 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 -3.8336 -3.1763 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 1 1 0 5 4 1 0 6 4 2 0 7 1 1 0 8 9 1 0 9 7 1 0 9 10 1 1 11 5 2 0 12 13 2 0 13 6 1 0 14 10 1 0 6 2 1 0 5 8 1 0 11 12 1 0 M END > 35593 > J. Med. Chem. 40(5)-1997 639-646 > D2 > 6.4498 $$$$ SciTegic07090714462D 15 17 0 0 0 0 999 V2000 -0.3434 -0.8676 0.0000 C 0 0 -0.9941 -2.2412 0.0000 C 0 0 -1.1025 0.4157 0.0000 C 0 0 1.1567 -1.0845 0.0000 C 0 0 0.1084 -3.2895 0.0000 S 0 0 1.4098 -2.5665 0.0000 C 0 0 -0.5422 1.8255 0.0000 C 0 0 -2.9822 1.9701 0.0000 N 0 0 -2.5846 0.5061 0.0000 N 0 0 -1.7171 2.8015 0.0000 C 0 0 2.2412 0.0000 0.0000 C 0 0 -2.1738 -2.4609 0.0000 C 0 0 2.4917 -3.0856 0.0000 C 0 0 0.8676 2.2593 0.0000 C 0 0 2.0785 1.3917 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 2 0 7 3 2 0 8 9 1 0 9 3 1 0 10 7 1 0 11 4 1 0 12 2 1 0 13 6 1 0 14 7 1 0 15 11 1 0 6 5 1 0 14 15 1 0 8 10 2 0 M END > 119228 > Bioorg. Med. Chem. Lett. 13(17)-2003 2921-2924 > D2 > 5.6849 $$$$ SciTegic07090714462D 15 17 0 0 0 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9982 3.0140 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -0.9680 6.0137 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.2894 3.7767 0.0000 C 0 0 0.3086 3.7509 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 0.3235 5.2508 0.0000 C 0 0 -2.2745 5.2767 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 1 2 0 7 13 1 0 8 6 1 0 9 2 2 0 10 3 1 0 11 3 1 0 12 15 2 0 13 11 1 0 14 10 1 0 15 6 1 0 5 8 2 0 12 9 1 0 7 14 1 0 M END > 35288 > J. Med. Chem. 40(3)-1997 300-312 > D2 > 6.1079 $$$$ SciTegic07090714462D 15 17 0 0 1 0 999 V2000 0.6405 0.8968 0.0000 C 0 0 2 0 0 0 1.9399 0.1464 0.0000 C 0 0 2 0 0 0 -0.6588 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 0.9517 2.3608 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -1.9326 2.0967 0.0000 Br 0 0 4.2483 0.9031 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 2 1 1 0 3 1 1 0 2 4 1 6 1 5 1 6 6 2 1 0 7 5 1 0 8 3 1 0 9 3 2 0 10 8 1 0 11 9 1 0 12 4 1 0 13 15 2 0 14 8 2 0 15 9 1 0 4 7 1 0 14 13 1 0 10 6 1 0 M END > 21616 > J. Med. Chem. 38(4)-1995 725-734 > D2 > 7.3872 $$$$ SciTegic07090714462D 15 17 0 0 1 0 999 V2000 0.4558 0.6928 0.0000 C 0 0 1.7503 0.0000 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 1 0 0 0 1.7503 -1.5498 0.0000 C 0 0 -0.8205 -1.5498 0.0000 C 0 0 1 0 0 0 -2.1332 -2.2973 0.0000 N 0 0 3.0631 0.6928 0.0000 C 0 0 0.4558 -2.2973 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 4.0907 0.0732 0.0000 O 0 0 -2.1332 0.6928 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 1 0 5 6 1 6 7 2 1 0 8 5 1 0 9 1 1 0 10 7 1 0 3 11 1 1 12 9 2 0 13 15 1 0 14 12 1 0 15 11 1 0 7 14 2 0 8 4 1 0 13 6 1 0 M END > 69114 > J. Med. Chem. 36(10)-1993 1301-1315 > D2 > 7.4202 $$$$ SciTegic07090714462D 16 19 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 3.6065 0.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 3.3339 -2.5831 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 5.3137 -3.8361 0.0000 F 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 1 1 0 6 3 2 0 7 5 1 0 8 2 1 0 9 7 1 0 10 3 1 0 5 11 1 6 12 6 1 0 13 10 2 0 14 11 1 0 15 13 1 0 16 13 1 0 6 4 1 0 9 14 1 6 9 8 1 0 15 12 2 0 M END > 84213 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 4.4365 $$$$ SciTegic07090714462D 16 18 0 0 1 0 999 V2000 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 1 0 0 0 0.7168 -1.4214 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 3.3044 -1.4214 0.0000 N 0 0 -2.8792 0.0850 0.0000 N 0 0 1.9924 0.8382 0.0000 C 0 0 1 0 0 0 0.7168 1.5915 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 3.3133 -2.9221 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 4.6171 -3.6655 0.0000 C 0 0 4.6243 -4.8655 0.0000 C 0 0 2 1 1 0 3 4 1 6 4 1 1 0 5 2 2 0 6 3 1 0 7 10 1 0 8 3 1 0 9 2 1 0 10 1 2 0 11 6 1 0 12 6 1 0 8 13 1 1 14 13 1 0 15 12 1 0 16 15 1 0 7 5 1 0 8 9 1 0 14 11 1 0 M END > 139751 > J. Med. Chem. 36(2)-1993 221-228 > D2 > 5.0969 $$$$ SciTegic07090714462D 16 18 0 0 0 0 999 V2000 1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 N 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 5.0387 1.5727 0.0000 C 0 0 6.3375 0.8207 0.0000 C 0 0 7.3779 1.4188 0.0000 C 0 0 2 4 1 0 3 5 2 0 4 1 2 0 5 1 1 0 6 1 1 0 7 6 1 0 8 5 1 0 9 2 1 0 10 4 1 0 11 12 1 0 12 10 2 0 13 7 1 0 14 7 1 0 15 14 1 0 16 15 1 0 2 3 1 0 8 13 1 0 11 9 2 0 M END > 62192 > Bioorg. Med. Chem. Lett. 12(17)-2002 2377-2380 > D2 > 5.5086 $$$$ SciTegic07090714462D 16 18 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2919 2.9980 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2844 5.9982 0.0000 N 0 0 1.2964 -1.4973 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.5891 3.7515 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0127 5.2449 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 12 1 0 7 4 1 0 8 2 2 0 9 3 1 0 10 3 1 0 11 14 2 0 12 10 1 0 13 9 1 0 14 4 1 0 15 5 1 0 16 15 1 0 16 7 1 0 8 11 1 0 13 6 1 0 M END > 35289 > J. Med. Chem. 40(3)-1997 300-312 > D2 > 5.9586 $$$$ SciTegic07090714462D 17 19 0 0 0 0 999 V2000 0.0000 -0.7623 0.0000 C 0 0 2.9404 0.0000 0.0000 N 0 0 5.1878 1.3090 0.0000 C 0 0 0.7442 -1.6517 0.0000 C 0 0 6.4372 1.9870 0.0000 C 0 0 5.1339 2.7295 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 4.4422 0.0064 0.0000 C 0 0 2.2325 -1.4158 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 -1.5580 -3.0236 0.0000 O 0 0 -2.8315 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -2.6239 -3.5748 0.0000 C 0 0 2 10 1 0 3 9 1 0 4 1 1 0 5 3 1 0 6 3 1 0 7 1 2 0 8 1 1 0 9 2 1 0 10 4 1 0 11 7 1 0 12 11 1 0 13 8 1 0 14 16 1 0 15 7 1 0 16 8 2 0 17 13 1 0 14 15 2 0 2 12 1 0 6 5 1 0 M END > 12257 > J. Med. Chem. 35(22)-1992 3984-3990 > D2 > 5.1192 $$$$ SciTegic07090714462D 17 19 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 7.7622 3.7904 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 1 1 0 7 4 1 0 8 5 1 0 9 5 1 0 10 9 1 0 11 8 1 0 12 10 1 0 13 4 2 0 14 7 2 0 15 12 1 0 16 13 1 0 17 16 2 0 2 7 1 0 14 17 1 0 11 12 1 0 M END > 30742 > J. Med. Chem. 39(10)-1996 1941-1942 > D2 > 5.2596 $$$$ SciTegic07090714462D 17 19 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -3.9086 1.5029 0.0000 N 0 0 -1.2964 -1.4973 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 -5.2640 0.8910 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.3396 3.5967 0.0000 C 0 0 -5.5014 3.3065 0.0000 C 0 0 -6.2601 2.0125 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 6 1 0 5 2 1 0 6 1 1 0 7 1 2 0 8 4 1 0 9 7 1 0 10 3 1 0 11 3 1 0 12 14 2 0 13 6 2 0 14 7 1 0 15 9 1 0 16 11 1 0 17 10 1 0 12 13 1 0 8 5 1 0 17 16 1 0 M END > 17000 > J. Med. Chem. 37(12)-1994 1779-1793 > D2 > 5.6021 $$$$ SciTegic07090714462D 17 20 0 0 1 0 999 V2000 0.7085 -1.5233 0.0000 C 0 0 3.4895 -0.4605 0.0000 C 0 0 1 0 0 0 0.9565 0.0000 0.0000 C 0 0 3.2592 -1.9485 0.0000 C 0 0 2 0 0 0 -0.3897 0.6377 0.0000 N 0 0 2.3736 0.4783 0.0000 C 0 0 4.4283 -2.9050 0.0000 N 0 0 4.9066 0.0531 0.0000 C 0 0 -1.4525 -0.4605 0.0000 N 0 0 1.8776 -2.4799 0.0000 C 0 0 -0.7617 -1.7182 0.0000 C 0 0 6.0934 -0.8857 0.0000 C 0 0 5.8454 -2.3736 0.0000 C 0 0 5.1723 1.5411 0.0000 C 0 0 7.5104 -0.3543 0.0000 C 0 0 6.5539 2.0725 0.0000 C 0 0 7.7407 1.1159 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 10 1 6 5 3 2 0 6 3 1 0 7 4 1 0 8 2 1 0 9 11 1 0 10 1 1 0 11 1 2 0 12 13 1 0 13 7 1 0 14 8 1 0 15 12 1 0 16 14 2 0 17 15 2 0 9 5 1 0 2 6 1 1 8 12 2 0 16 17 1 0 M END > 123235 > J. Med. Chem. 42(5)-1999 935-940 > D2 > 6.1931 $$$$ SciTegic07090714462D 17 19 0 0 1 0 999 V2000 1.9500 1.0000 0.0000 C 0 0 1 0 0 0 4.1900 1.4800 0.0000 N 0 0 3.3200 0.2200 0.0000 C 0 0 2 0 0 0 2.8400 2.2700 0.0000 C 0 0 0.5700 0.2200 0.0000 C 0 0 3.3200 -1.3200 0.0000 C 0 0 0.5700 -1.3200 0.0000 C 0 0 -0.7800 1.0000 0.0000 C 0 0 1.9500 -2.1000 0.0000 C 0 0 5.6478 1.8037 0.0000 C 0 0 -0.7738 2.5002 0.0000 O 0 0 -2.1500 -1.3200 0.0000 C 0 0 -0.7800 -2.1000 0.0000 C 0 0 -2.1500 0.2200 0.0000 C 0 0 -1.8101 3.1052 0.0000 C 0 0 6.0997 3.2349 0.0000 C 0 0 7.2711 3.4949 0.0000 C 0 0 2 4 1 0 3 1 1 0 1 4 1 6 5 1 1 0 6 3 1 0 7 5 1 0 8 5 2 0 9 7 1 0 10 2 1 0 11 8 1 0 12 14 2 0 13 7 2 0 14 8 1 0 15 11 1 0 16 10 1 0 17 16 1 0 3 2 1 6 13 12 1 0 9 6 1 0 M END > 69102 > J. Med. Chem. 36(10)-1993 1301-1315 > D2 > 6.4828 $$$$ SciTegic07090714462D 17 19 0 0 1 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1 0 0 0 2.5889 0.0182 0.0000 C 0 0 2 0 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.7889 0.0269 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 O 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 1 2 0 2 7 1 6 8 4 2 0 3 9 1 1 10 6 1 0 11 10 2 0 12 10 1 0 13 7 2 0 14 7 1 0 15 14 2 0 16 13 1 0 17 15 1 0 3 5 1 0 8 11 1 0 16 17 2 0 M END > 33722 > J. Med. Chem. 39(21)-1996 4238-4246 > D2 > 9.0506 $$$$ SciTegic07090714462D 18 20 0 0 0 0 999 V2000 -3.6737 0.0784 0.0000 C 0 0 -2.4416 -2.0832 0.0000 C 0 0 -3.6737 -1.3328 0.0000 C 0 0 -1.1872 -2.7888 0.0000 N 0 0 -1.1760 0.0784 0.0000 O 0 0 -2.4416 0.7952 0.0000 C 0 0 -1.1760 -1.3328 0.0000 C 0 0 -4.9281 0.7952 0.0000 C 0 0 -5.9660 0.1929 0.0000 O 0 0 -1.1872 -4.2113 0.0000 C 0 0 -3.6737 -2.7888 0.0000 C 0 0 0.1127 -2.0376 0.0000 C 0 0 -3.6737 -4.2113 0.0000 C 0 0 -3.6737 2.9456 0.0000 C 0 0 -2.4416 2.2400 0.0000 C 0 0 -4.9281 2.2400 0.0000 C 0 0 1.4132 -2.7868 0.0000 C 0 0 2.4522 -2.1864 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 6 1 0 6 1 1 0 7 5 1 0 8 1 2 0 9 8 1 0 10 4 1 0 11 2 1 0 12 4 1 0 13 11 1 0 14 16 2 0 15 6 2 0 16 8 1 0 17 12 1 0 18 17 1 0 15 14 1 0 2 7 1 0 10 13 1 0 M END > 33819 > J. Med. Chem. 39(21)-1996 4285-4298 > D2 > 4.1463 $$$$ SciTegic07090714462D 18 19 0 0 0 0 999 V2000 5.1872 7.5118 0.0000 N 0 0 3.8933 3.7570 0.0000 N 0 0 5.1894 6.0109 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 2.5972 1.5031 0.0000 C 0 0 6.3977 8.3758 0.0000 C 0 0 3.9707 8.3674 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 4.9336 3.1588 0.0000 C 0 0 5.9292 9.8008 0.0000 C 0 0 4.4292 9.7955 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 8 2 0 5 4 1 0 6 3 1 0 7 2 1 0 8 10 1 0 9 5 1 0 10 7 1 0 11 1 1 0 12 1 1 0 13 15 2 0 14 13 1 0 15 8 1 0 16 2 1 0 17 11 1 0 18 12 1 0 18 17 1 0 14 5 2 0 M END > 6074 > J. Med. Chem. 35(1)-1992 38-47 > D2 > 5.1873 $$$$ SciTegic07090714462D 18 20 0 0 1 0 999 V2000 -1.2989 0.7501 0.0000 C 0 0 2 0 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 -2.5978 1.5002 0.0000 N 0 0 1.2806 0.7501 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 2 0 0 0 -3.9017 3.7496 0.0000 C 0 0 -4.9418 4.3481 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 -2.6009 3.0010 0.0000 C 0 0 2.6015 -2.7002 0.0000 O 0 0 -3.8968 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 2 4 1 0 1 3 1 1 7 4 1 6 5 1 1 0 6 3 1 0 7 1 1 0 8 11 1 0 9 8 3 0 10 2 2 0 11 5 1 0 12 10 1 0 13 5 1 0 14 6 2 0 15 7 1 0 16 15 1 0 17 14 1 0 18 10 1 0 6 2 1 0 13 16 1 0 17 18 2 0 M END > 47419 > J. Med. Chem. 41(21)-1998 4165-4170 > D2 > 5.2916 $$$$ SciTegic07090714462D 18 20 0 0 1 0 999 V2000 0.0000 -0.7623 0.0000 C 0 0 0.7442 -1.6517 0.0000 C 0 0 1 0 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2.9404 0.0000 0.0000 N 0 0 0.2177 -3.0571 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 2.2325 -1.4158 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -3.8685 -1.3662 0.0000 O 0 0 2.2507 1.3976 0.0000 C 0 0 0.7805 1.6880 0.0000 C 0 0 1.1747 -4.2127 0.0000 C 0 0 -1.2610 -3.3085 0.0000 C 0 0 -1.7830 -4.7148 0.0000 C 0 0 0.6526 -5.6189 0.0000 C 0 0 -0.8262 -5.8700 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 9 1 0 2 6 1 6 7 3 2 0 8 4 1 0 9 2 1 0 10 8 2 0 11 8 1 0 12 13 1 0 13 3 1 0 14 6 1 0 15 6 2 0 16 15 1 0 17 14 2 0 18 16 2 0 10 7 1 0 5 12 1 0 18 17 1 0 M END > 6077 > J. Med. Chem. 35(1)-1992 67-72 > D2 > 5.3558 $$$$ SciTegic07090714462D 18 21 0 0 0 0 999 V2000 -1.2594 0.9674 0.0000 N 0 0 -0.9674 2.4458 0.0000 C 0 0 0.8944 2.4276 0.0000 N 0 0 0.0000 0.2373 0.0000 C 0 0 1.2777 0.9674 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 -1.7247 3.3767 0.0000 O 0 0 -6.4385 -1.9667 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 -7.8593 -1.9212 0.0000 C 0 0 -7.1091 -3.2202 0.0000 C 0 0 -2.5371 -1.2229 0.0000 C 0 0 -3.8385 -1.9710 0.0000 N 0 0 -5.1373 -1.2188 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 1.2777 -1.9530 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 2 0 6 4 1 0 7 1 1 0 8 2 2 0 9 15 1 0 10 13 1 0 11 9 1 0 12 9 1 0 13 7 1 0 14 13 1 0 15 14 1 0 16 5 1 0 17 6 2 0 18 17 1 0 5 3 1 0 10 6 1 0 18 16 2 0 11 12 1 0 M END > 7899 > J. Med. Chem. 35(6)-1992 1076-1092 > D2 > 5.3984 $$$$ SciTegic07090714462D 18 20 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.6323 6.6070 0.0000 N 0 0 -2.5941 6.0054 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 3.3408 -4.2142 0.0000 C 0 0 1.8408 -4.2089 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2979 3.7529 0.0000 C 0 0 -1.2955 5.2529 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.3002 3.7488 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.3026 5.2488 0.0000 C 0 0 0.0047 6.0009 0.0000 C 0 0 2 3 3 0 3 12 1 0 4 10 1 0 7 5 1 1 6 1 1 0 7 6 1 0 8 4 1 0 9 4 1 0 10 1 1 0 11 5 2 0 12 11 1 0 13 1 1 0 14 5 1 0 15 13 1 0 16 15 1 0 17 14 2 0 18 17 1 0 7 16 1 0 9 8 1 0 12 18 2 0 M END > 18606 > J. Med. Chem. 37(17)-1994 2735-2753 > D2 > 5.5086 $$$$ SciTegic07090714462D 18 21 0 0 1 0 999 V2000 0.7849 1.3839 0.0000 C 0 0 -1.7557 0.0000 0.0000 C 0 0 1 0 0 0 -1.7557 1.3839 0.0000 C 0 0 2 0 0 0 -0.4751 -0.8262 0.0000 C 0 0 -3.0570 2.1275 0.0000 N 0 0 0.8056 0.0000 0.0000 C 0 0 -0.4751 2.1275 0.0000 C 0 0 2.1895 1.8383 0.0000 C 0 0 3.0570 0.6403 0.0000 N 0 0 2.1895 -0.5370 0.0000 C 0 0 -4.3376 1.3839 0.0000 C 0 0 -3.0570 -0.8262 0.0000 C 0 0 -4.3376 0.0000 0.0000 C 0 0 2 0 0 0 -0.4338 -2.3134 0.0000 C 0 0 -5.3914 -0.5742 0.0000 N 0 0 -3.0612 3.3275 0.0000 C 0 0 0.8262 -3.0570 0.0000 C 0 0 2.4993 -1.9623 0.0000 C 0 0 2 3 1 0 3 7 1 6 4 6 1 0 5 3 1 0 6 1 1 0 7 1 1 0 8 1 2 0 9 8 1 0 10 6 2 0 11 5 1 0 2 12 1 1 13 11 1 0 14 4 2 0 13 15 1 6 16 5 1 0 17 18 2 0 18 10 1 0 9 10 1 0 2 4 1 0 17 14 1 0 12 13 1 0 M END > 78752 > Bioorg. Med. Chem. 10(11)-2002 3523-3528 > D2 > 5.7620 $$$$ SciTegic07090714462D 18 19 0 0 0 0 999 V2000 -2.6109 7.4996 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -0.0031 3.0008 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -1.3070 5.2502 0.0000 C 0 0 -3.8245 8.3594 0.0000 C 0 0 -1.3974 8.3594 0.0000 C 0 0 -2.3421 3.1476 0.0000 C 0 0 -3.3610 9.7860 0.0000 C 0 0 -1.8610 9.7860 0.0000 C 0 0 2 4 1 0 3 6 1 0 4 5 2 0 5 8 1 0 6 11 2 0 7 13 1 0 8 7 1 0 9 1 1 0 10 2 1 0 11 5 1 0 12 3 1 0 13 9 1 0 14 1 1 0 15 1 1 0 16 7 1 0 17 14 1 0 18 15 1 0 17 18 1 0 3 2 2 0 M END > 6070 > J. Med. Chem. 35(1)-1992 38-47 > D2 > 5.8857 $$$$ SciTegic07090714462D 18 21 0 0 1 0 999 V2000 3.0746 1.1530 0.0000 N 0 0 0.6405 0.8968 0.0000 C 0 0 2 0 0 0 1.9399 0.1464 0.0000 C 0 0 1 0 0 0 -0.6588 0.1464 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 4.5407 0.8460 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 5.5423 1.9638 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 6.9059 2.3656 0.0000 C 0 0 5.7866 3.3642 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -1.9326 2.0967 0.0000 Br 0 0 -3.2576 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 2 3 1 0 3 1 1 6 4 2 1 0 5 9 1 0 6 1 1 0 7 3 1 0 8 6 1 0 9 1 1 0 10 8 1 0 11 8 1 0 12 14 1 0 13 4 2 0 14 7 1 0 15 13 1 0 16 17 1 0 17 12 2 0 18 13 1 0 2 5 1 6 11 10 1 0 4 12 1 0 18 16 2 0 M END > 21620 > J. Med. Chem. 38(4)-1995 725-734 > D2 > 6.9245 $$$$ SciTegic07090714462D 18 21 0 0 1 0 999 V2000 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 2 0 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 1 0 0 0 1.9924 -0.6682 0.0000 C 0 0 -2.4731 -2.5529 0.0000 C 0 0 -3.9422 -2.8601 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -4.9728 -3.8392 0.0000 C 0 0 -5.2767 -2.3703 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 3.3068 2.7915 0.0000 O 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 2 1 1 1 3 5 1 0 4 2 1 0 5 6 1 0 6 2 1 0 7 4 1 0 8 1 1 0 9 8 1 0 10 1 1 0 11 9 1 0 12 9 1 0 13 3 2 0 14 10 1 0 15 13 1 0 16 7 2 0 17 16 1 0 18 13 1 0 6 14 1 6 11 12 1 0 3 7 1 0 18 17 2 0 M END > 68789 > J. Med. Chem. 36(8)-1993 1069-1083 > D2 > 6.9281 $$$$ SciTegic07090714462D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 -0.0031 -3.0008 0.0000 O 0 0 -3.9117 -8.2482 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -3.9170 -9.7482 0.0000 C 0 0 -5.2082 -7.4937 0.0000 C 0 0 -6.5099 -8.2392 0.0000 C 0 0 -5.2186 -10.4937 0.0000 C 0 0 -6.5150 -9.7392 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 12 1 0 5 2 1 0 6 3 1 0 7 9 1 0 8 11 2 0 9 4 1 0 10 2 2 0 11 3 1 0 12 13 1 0 13 6 1 0 14 7 1 0 15 7 2 0 16 15 1 0 17 14 2 0 18 16 2 0 10 8 1 0 18 17 1 0 M END > 52014 > J. Med. Chem. 42(11)-1999 2007-2020 > D2 > 6.9393 $$$$ SciTegic07090714462D 18 21 0 0 0 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -4.5551 0.9006 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -5.9105 0.2888 0.0000 C 0 0 -4.6828 2.3824 0.0000 C 0 0 -6.1479 2.7042 0.0000 C 0 0 -6.9066 1.4103 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 7 1 0 7 2 2 0 8 1 2 0 9 10 2 0 10 2 1 0 11 13 1 0 12 14 2 0 13 8 1 0 14 8 1 0 15 4 1 0 16 4 1 0 17 16 1 0 18 15 1 0 12 7 1 0 11 5 1 0 6 9 1 0 18 17 1 0 M END > 23477 > J. Med. Chem. 38(12)-1995 2217-2230 > D2 > 7.0269 $$$$ SciTegic07090714462D 19 22 0 0 1 0 999 V2000 -2.8236 -2.1289 0.0000 C 0 0 -1.5238 -1.3894 0.0000 C 0 0 2 0 0 0 -1.5687 0.1345 0.0000 C 0 0 1.0756 -1.3670 0.0000 N 0 0 -0.2241 -2.1289 0.0000 C 0 0 2 0 0 0 -2.8236 -3.6079 0.0000 C 0 0 -4.1233 -1.3894 0.0000 C 0 0 -0.2465 0.9188 0.0000 C 0 0 1.0532 0.1345 0.0000 C 0 0 -1.5238 -4.3250 0.0000 C 0 0 -0.2241 -3.6079 0.0000 C 0 0 -4.1233 -4.3250 0.0000 C 0 0 -5.4230 -2.1289 0.0000 C 0 0 -5.4230 -3.6079 0.0000 C 0 0 -6.4604 -1.5256 0.0000 O 0 0 -2.9132 0.9188 0.0000 C 0 0 -0.2689 2.3978 0.0000 C 0 0 -2.9132 2.3754 0.0000 C 0 0 -1.5911 3.1597 0.0000 C 0 0 2 1 1 6 3 2 1 0 5 4 1 6 5 2 1 0 6 1 1 0 7 1 2 0 8 3 2 0 9 4 1 0 10 6 1 0 11 10 1 0 12 6 2 0 13 7 1 0 14 13 2 0 15 13 1 0 16 3 1 0 17 8 1 0 18 16 2 0 19 18 1 0 14 12 1 0 5 11 1 0 9 8 1 0 17 19 2 0 M END > 21276 > J. Med. Chem. 38(2)-1995 318-327 > D2 > 4.8097 $$$$ SciTegic07090714462D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1924 -7.2070 0.0000 Cl 0 0 7.5307 -5.8571 0.0000 Cl 0 0 5.1925 -3.0070 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.6331 3.6060 0.0000 C 0 0 2 11 1 0 3 5 1 0 4 6 1 0 5 12 2 0 6 15 2 0 7 1 1 0 8 1 1 0 9 1 1 0 10 8 1 0 11 9 1 0 12 16 1 0 13 3 1 0 14 4 1 0 15 12 1 0 16 7 1 0 17 2 1 0 18 17 1 0 19 18 1 0 10 2 1 0 3 4 2 0 M END > 9830 > J. Med. Chem. 35(12)-1992 2221-2230 > D2 > 5.5373 $$$$ SciTegic07090714462D 19 21 0 0 1 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 1.2964 -2.6973 0.0000 F 0 0 -5.2049 3.7560 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 2 0 7 6 1 1 7 8 1 0 8 3 1 0 9 6 1 0 10 5 1 0 11 9 1 0 12 2 2 0 13 14 2 0 14 5 1 0 15 11 2 0 16 11 1 0 17 16 2 0 18 15 1 0 19 17 1 0 13 12 1 0 4 7 1 0 18 19 2 0 M END > 33941 > J. Med. Chem. 39(22)-1996 4421-4429 > D2 > 5.5482 $$$$ SciTegic07090714462D 19 22 0 0 1 0 999 V2000 -2.4140 -1.5806 0.0000 C 0 0 -2.4140 0.0000 0.0000 C 0 0 -1.0921 0.6322 0.0000 C 0 0 2 0 0 0 0.1437 0.0000 0.0000 C 0 0 0.1437 -1.5806 0.0000 C 0 0 -1.0921 -2.3278 0.0000 C 0 0 -3.7072 -2.3278 0.0000 C 0 0 -3.7072 0.6322 0.0000 C 0 0 0.1437 2.8738 0.0000 N 0 0 -5.0292 -1.5806 0.0000 C 0 0 1.4657 0.6322 0.0000 C 0 0 -5.0292 0.0000 0.0000 C 0 0 -1.0921 2.1266 0.0000 C 0 0 -3.7016 -3.5278 0.0000 O 0 0 1.4657 2.1266 0.0000 C 0 0 1.4657 -2.3278 0.0000 C 0 0 -6.0657 -2.1854 0.0000 O 0 0 2.8164 -1.5806 0.0000 C 0 0 2.7876 0.0000 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 2 0 5 6 1 0 6 1 1 0 7 1 2 0 8 2 2 0 9 13 1 0 10 7 1 0 11 4 1 0 12 10 2 0 3 13 1 1 14 7 1 0 15 11 1 0 16 5 1 0 17 10 1 0 18 16 2 0 19 18 1 0 8 12 1 0 3 4 1 0 19 11 2 0 15 9 1 0 M END > 96715 > J. Med. Chem. 45(17)-2002 3660-3668 > D2 > 5.8239 $$$$ SciTegic07090714462D 19 21 0 0 1 0 999 V2000 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 4.2401 -2.6164 0.0000 N 0 0 4.8506 -1.2602 0.0000 C 0 0 1 0 0 0 2.0825 2.3453 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 5.3626 -3.6114 0.0000 C 0 0 2.7753 -2.9312 0.0000 C 0 0 6.3324 -1.3865 0.0000 C 0 0 6.6557 -2.8512 0.0000 C 0 0 2.4063 -4.0730 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 1 0 5 1 1 0 6 1 1 0 7 8 1 0 8 6 1 6 9 2 2 0 10 3 2 0 11 4 2 0 12 10 1 0 13 11 1 0 14 12 1 0 15 7 1 0 16 7 1 0 17 8 1 0 18 17 1 0 19 16 1 0 4 3 1 0 18 15 1 0 13 12 2 0 M END > 72895 > J. Med. Chem. 36(22)-1993 3417-3423 > D2 > 5.8861 $$$$ SciTegic07090714462D 19 21 0 0 0 0 999 V2000 -2.7390 2.9810 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -4.9546 1.9903 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -6.1478 1.8630 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 12 1 0 7 2 1 0 8 6 1 0 9 7 1 0 10 7 1 0 11 9 1 0 12 10 1 0 13 8 1 0 14 5 1 0 15 13 1 0 16 13 2 0 17 16 1 0 18 15 2 0 19 17 2 0 5 3 2 0 11 6 1 0 19 18 1 0 M END > 38113 > J. Med. Chem. 40(15)-1997 2374-2385 > D2 > 6.1871 $$$$ SciTegic07090714462D 19 22 0 0 1 0 999 V2000 0.1872 0.3744 0.0000 C 0 0 1 0 0 0 -2.4334 0.4212 0.0000 C 0 0 -3.7203 1.1699 0.0000 N 0 0 0.1872 -1.0295 0.0000 C 0 0 2 0 0 0 -1.0997 1.1699 0.0000 C 0 0 1.4975 -1.8485 0.0000 N 0 0 -2.4334 -1.0997 0.0000 C 0 0 -5.0306 0.3744 0.0000 C 0 0 1.4975 1.1231 0.0000 C 0 0 -5.0306 -1.0295 0.0000 N 0 0 -1.0997 -1.8485 0.0000 C 0 0 -3.7203 -1.8485 0.0000 C 0 0 2.8078 0.3744 0.0000 C 0 0 2.8078 -1.0295 0.0000 C 0 0 -6.0764 0.9629 0.0000 N 0 0 1.4975 2.6206 0.0000 C 0 0 4.0947 1.1231 0.0000 C 0 0 2.8078 3.3928 0.0000 C 0 0 4.0947 2.6206 0.0000 C 0 0 2 5 1 0 3 2 2 0 4 1 1 0 1 5 1 1 4 6 1 6 7 2 1 0 8 3 1 0 9 1 1 0 10 12 1 0 11 4 1 0 12 7 2 0 13 9 2 0 14 13 1 0 15 8 1 0 16 9 1 0 17 13 1 0 18 16 2 0 19 18 1 0 7 11 1 0 14 6 1 0 19 17 2 0 10 8 2 0 M END > 123232 > J. Med. Chem. 42(5)-1999 935-940 > D2 > 6.3307 $$$$ SciTegic07090714462D 19 21 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 10 1 0 6 1 1 0 7 6 1 0 8 9 1 0 9 5 1 0 10 6 1 0 11 2 2 0 12 3 2 0 13 8 2 0 14 8 1 0 15 11 1 0 16 15 2 0 17 14 2 0 18 13 1 0 19 17 1 0 4 3 1 0 16 12 1 0 19 18 2 0 M END > 40339 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.2924 $$$$ SciTegic07090714462D 19 21 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 9.1464 1.3559 0.0000 O 0 0 7.9255 -0.7417 0.0000 C 0 0 10.1462 0.2377 0.0000 C 0 0 9.3917 -1.0587 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 3.8942 1.4964 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 17 1 0 6 5 1 0 7 5 2 0 8 6 1 0 9 7 1 0 10 4 2 0 11 4 1 0 12 19 1 0 13 3 1 0 14 2 1 0 15 10 1 0 16 11 1 0 17 12 1 0 18 13 1 0 19 14 1 0 16 14 1 0 15 13 2 0 9 8 2 0 M END > 40335 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.3768 $$$$ SciTegic07090714462D 20 23 0 0 1 0 999 V2000 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 2 0 0 0 1.9924 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 -2.0045 -1.1298 0.0000 O 0 0 -2.0045 1.2999 0.0000 O 0 0 -2.8792 0.0850 0.0000 C 0 0 3.3072 -2.9221 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 2.0093 -3.6758 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 2.0099 -5.1759 0.0000 C 0 0 0.7098 -2.9264 0.0000 C 0 0 -0.5889 -3.6770 0.0000 C 0 0 0.7112 -5.9264 0.0000 C 0 0 -0.5882 -5.1770 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 2 0 6 7 2 0 7 4 1 0 8 3 1 0 9 5 1 0 10 6 1 0 11 9 1 0 3 12 1 6 13 15 1 0 14 12 1 0 15 4 1 0 16 14 2 0 17 14 1 0 18 17 2 0 19 16 1 0 20 18 1 0 13 8 1 0 6 5 1 0 11 10 1 0 20 19 2 0 M END > 86785 > J. Med. Chem. 44(11)-2001 1794-1801 > D2 > 4.2749 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 -0.5259 0.0000 0.0000 C 0 0 2.0752 0.0000 0.0000 C 0 0 0.7675 0.7249 0.0000 C 0 0 3.1412 -1.0518 0.0000 N 0 0 0.7675 -2.2742 0.0000 O 0 0 -0.5259 -1.5209 0.0000 C 0 0 2.0752 -1.5209 0.0000 C 0 0 -1.8194 0.7249 0.0000 C 0 0 -1.8154 2.2262 0.0000 O 0 0 2.7575 -2.5031 0.0000 C 0 0 4.5768 -0.6823 0.0000 C 0 0 2.4448 1.4214 0.0000 C 0 0 -3.1270 -1.5209 0.0000 C 0 0 -1.8194 -2.2742 0.0000 C 0 0 -3.1270 0.0000 0.0000 C 0 0 -2.8527 2.8296 0.0000 C 0 0 3.8216 -3.5614 0.0000 C 0 0 4.9890 0.7391 0.0000 C 0 0 3.8946 1.8194 0.0000 C 0 0 3.5149 -4.7216 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 6 1 0 6 1 1 0 7 5 1 0 8 1 2 0 9 8 1 0 10 4 1 0 11 4 1 0 12 2 1 0 13 15 2 0 14 6 2 0 15 8 1 0 16 9 1 0 17 10 1 0 18 19 1 0 19 12 1 0 20 17 1 0 14 13 1 0 2 7 1 0 11 18 1 0 M END > 33826 > J. Med. Chem. 39(21)-1996 4285-4298 > D2 > 4.8327 $$$$ SciTegic07090714462D 20 23 0 0 1 0 999 V2000 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.6319 0.7854 0.0000 C 0 0 -5.8776 -0.5111 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2919 -2.9980 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.5891 -3.7515 0.0000 C 0 0 0.0089 -3.7449 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 0.0127 -5.2449 0.0000 C 0 0 -2.5853 -5.2515 0.0000 C 0 0 -1.2844 -5.9982 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 7 1 0 5 6 1 0 4 6 1 6 7 1 1 0 8 5 1 0 9 5 1 0 10 4 1 0 1 11 1 1 12 2 2 0 13 3 2 0 14 11 2 0 15 11 1 0 16 12 1 0 17 16 2 0 18 15 2 0 19 14 1 0 20 18 1 0 10 3 1 0 20 19 2 0 17 13 1 0 8 9 1 0 M END > 71231 > J. Med. Chem. 36(17)-1993 2542-2551 > D2 > 5.2218 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 0.6900 -0.9100 0.0000 N 0 0 -0.8500 -0.9100 0.0000 C 0 0 1.6500 0.2800 0.0000 C 0 0 -1.8000 0.2800 0.0000 C 0 0 1.3000 1.7900 0.0000 C 0 0 -1.4500 1.7900 0.0000 C 0 0 1.4600 -2.2400 0.0000 C 0 0 -0.8400 -3.5800 0.0000 N 0 0 0.0000 2.4500 0.0000 C 0 0 -1.6200 -2.2400 0.0000 C 0 0 0.6800 -3.5800 0.0000 C 0 0 3.1200 -0.1700 0.0000 C 0 0 -3.2800 -0.1700 0.0000 C 0 0 -1.4382 -4.6203 0.0000 C 0 0 2.4300 2.8300 0.0000 C 0 0 -2.5800 2.8300 0.0000 C 0 0 4.2400 0.8700 0.0000 C 0 0 -4.3800 0.8700 0.0000 C 0 0 -4.0400 2.3700 0.0000 C 0 0 3.8900 2.3700 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 2 0 6 4 2 0 7 1 1 0 8 11 1 0 9 5 1 0 10 2 1 0 11 7 1 0 12 3 1 0 13 4 1 0 14 8 1 0 15 5 1 0 16 6 1 0 17 12 2 0 18 13 2 0 19 18 1 0 20 17 1 0 8 10 1 0 9 6 1 0 20 15 2 0 19 16 2 0 M END > 148845 > J. Med. Chem. 48(6)-2005 1709-1712 > D2 > 5.6582 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 0.1500 -2.8500 0.0000 C 0 0 0.1500 -1.2900 0.0000 C 0 0 -1.1800 -0.5200 0.0000 C 0 0 1.4900 -0.5200 0.0000 C 0 0 1.4900 -3.6200 0.0000 C 0 0 -1.1800 -3.6200 0.0000 C 0 0 -2.5200 -1.2900 0.0000 C 0 0 -2.5200 -2.8500 0.0000 C 0 0 2.8300 -2.8500 0.0000 C 0 0 2.8300 -1.2900 0.0000 C 0 0 -0.3600 2.1400 0.0000 N 0 0 -1.4100 1.0000 0.0000 C 0 0 1.4900 -4.8200 0.0000 O 0 0 3.8686 -3.4511 0.0000 O 0 0 2.0400 0.7400 0.0000 C 0 0 -3.8700 -0.5200 0.0000 C 0 0 -3.8700 -3.6200 0.0000 C 0 0 1.1700 2.0200 0.0000 C 0 0 -5.2100 -1.2900 0.0000 C 0 0 -5.2100 -2.8500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 2 2 0 5 1 2 0 6 1 1 0 7 8 2 0 8 6 1 0 9 5 1 0 10 9 2 0 11 12 1 0 12 3 1 0 13 5 1 0 14 9 1 0 15 4 1 0 16 7 1 0 17 8 1 0 18 15 1 0 19 20 1 0 20 17 2 0 3 7 1 0 10 4 1 0 18 11 1 0 19 16 2 0 M END > 141998 > J. Med. Chem. 38(13)-1995 2395-2409 > D2 > 5.7282 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.3408 -4.2142 0.0000 C 0 0 1.8408 -4.2089 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -7.5307 5.8571 0.0000 F 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2 13 1 0 3 9 1 0 4 3 1 0 5 3 1 0 6 1 1 0 7 1 1 0 8 1 2 0 9 2 1 0 10 6 1 0 11 6 2 0 12 19 1 0 13 20 1 0 14 16 2 0 15 7 1 0 16 11 1 0 17 10 2 0 18 14 1 0 19 15 1 0 20 15 1 0 14 17 1 0 2 12 1 0 4 5 1 0 M END > 15122 > J. Med. Chem. 37(3)-1994 364-370 > D2 > 5.7878 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 0.0834 -1.7104 0.0000 C 0 0 -1.1889 -0.9178 0.0000 C 0 0 -1.1889 0.5840 0.0000 C 0 0 0.0000 1.5644 0.0000 O 0 0 0.0834 -3.2330 0.0000 N 0 0 1.5435 -1.1263 0.0000 C 0 0 2.0024 0.3129 0.0000 C 0 0 1.4809 1.2306 0.0000 C 0 0 -2.5655 -1.7104 0.0000 C 0 0 -1.1889 -4.0465 0.0000 C 0 0 3.5667 0.2920 0.0000 C 0 0 2.3152 2.6073 0.0000 C 0 0 -2.5655 -3.2330 0.0000 C 0 0 4.3593 1.6061 0.0000 C 0 0 3.8379 2.5864 0.0000 C 0 0 -2.5655 1.3975 0.0000 C 0 0 1.1360 -3.8093 0.0000 C 0 0 5.5589 1.5737 0.0000 O 0 0 -3.9005 0.5840 0.0000 C 0 0 -3.9005 -0.9178 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 3 1 0 5 1 1 0 6 1 1 0 7 6 1 0 8 7 2 0 9 2 1 0 10 5 1 0 11 7 1 0 12 8 1 0 13 10 1 0 14 11 2 0 15 14 1 0 16 3 1 0 17 5 1 0 18 14 1 0 19 20 1 0 20 9 2 0 8 4 1 0 9 13 1 0 19 16 2 0 12 15 2 0 M END > 56758 > J. Med. Chem. 43(4)-2000 599-608 > D2 > 6.1400 $$$$ SciTegic07090714462D 20 21 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 7.7815 -10.5187 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4833 -9.7656 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 7.7816 -12.0187 0.0000 C 0 0 9.0807 -9.7688 0.0000 C 0 0 6.4855 -8.2648 0.0000 C 0 0 10.3797 -10.5188 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 9.0806 -12.7688 0.0000 C 0 0 10.3797 -12.0188 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 4 1 0 3 6 1 0 4 7 1 0 5 9 1 0 6 1 1 0 7 3 1 0 8 1 1 0 9 14 1 0 10 2 2 0 11 2 1 0 12 5 1 0 13 5 2 0 14 8 1 0 15 13 1 0 16 10 1 0 17 11 2 0 18 12 2 0 19 15 2 0 20 17 1 0 19 18 1 0 20 16 2 0 M END > 39990 > J. Med. Chem. 40(25)-1997 4026-4029 > D2 > 6.2848 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 3.6321 -1.3486 0.0000 Cl 0 0 3.6321 1.3486 0.0000 O 0 0 -2.5870 3.7544 0.0000 C 0 0 -3.6486 1.3517 0.0000 C 0 0 -2.5835 5.2544 0.0000 C 0 0 -3.8880 3.0076 0.0000 C 0 0 -5.1852 3.7608 0.0000 C 0 0 -3.8807 6.0076 0.0000 C 0 0 -5.1815 5.2608 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 2 0 6 5 1 0 7 6 2 0 8 4 2 0 9 2 1 0 10 11 1 0 11 4 1 0 12 7 1 0 13 6 1 0 14 9 1 0 15 3 1 0 16 14 2 0 17 14 1 0 18 17 2 0 19 16 1 0 20 18 1 0 8 7 1 0 3 10 1 0 19 20 2 0 M END > 20478 > J. Med. Chem. 37(25)-1994 4317-4328 > D2 > 6.5421 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -4.5551 0.9006 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 1.9399 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 -3.2576 -1.3543 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -5.8142 0.0724 0.0000 C 0 0 -4.4473 2.4041 0.0000 C 0 0 -7.2446 0.5240 0.0000 C 0 0 -5.5401 3.4317 0.0000 C 0 0 -7.7833 1.9239 0.0000 C 0 0 -7.0248 3.2179 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 7 1 0 7 2 2 0 8 1 2 0 9 10 2 0 10 2 1 0 11 13 1 0 12 14 2 0 13 8 1 0 14 8 1 0 15 4 1 0 16 4 1 0 17 15 1 0 18 16 1 0 19 17 1 0 20 18 1 0 7 12 1 0 11 5 1 0 6 9 1 0 19 20 1 0 M END > 23478 > J. Med. Chem. 38(12)-1995 2217-2230 > D2 > 7.0000 $$$$ SciTegic07090714462D 20 22 0 0 1 0 999 V2000 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 O 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 3.6321 -1.3486 0.0000 O 0 0 -0.2409 3.5904 0.0000 N 0 0 -1.2845 2.9981 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 1 2 0 6 4 1 0 7 2 1 0 8 2 2 0 9 5 1 0 10 9 2 0 6 11 1 1 12 5 1 0 13 9 1 0 14 15 1 0 7 15 1 1 16 11 2 0 17 11 1 0 18 17 2 0 19 16 1 0 20 18 1 0 3 7 1 0 8 10 1 0 19 20 2 0 M END > 142990 > J. Med. Chem. 39(1)-1996 285-296 > D2 > 7.3872 $$$$ SciTegic07090714462D 20 22 0 0 0 0 999 V2000 0.2917 -0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.5842 -6.0270 0.0000 N 0 0 -0.9971 -3.0138 0.0000 O 0 0 -4.8749 -8.2840 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.5785 -7.5278 0.0000 C 0 0 -2.2878 -5.2708 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -4.8713 -9.7840 0.0000 C 0 0 -6.1758 -7.5371 0.0000 C 0 0 -7.4730 -8.2903 0.0000 C 0 0 -6.1686 -10.5371 0.0000 C 0 0 -7.4694 -9.7903 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 5 2 0 5 1 1 0 6 1 2 0 7 14 1 0 8 6 1 0 9 13 1 0 10 12 2 0 11 3 2 0 12 6 1 0 13 7 1 0 14 15 1 0 15 8 1 0 16 9 2 0 17 9 1 0 18 17 2 0 19 16 1 0 20 18 1 0 2 4 1 0 10 11 1 0 19 20 2 0 M END > 52001 > J. Med. Chem. 42(11)-1999 2007-2020 > D2 > 7.4056 $$$$ SciTegic07090714462D 20 23 0 0 0 0 999 V2000 2.5800 1.3900 0.0000 C 0 0 2.2500 -0.1000 0.0000 C 0 0 1.6200 2.6200 0.0000 C 0 0 0.8600 -0.7800 0.0000 S 0 0 -0.5500 -0.1100 0.0000 C 0 0 -0.8800 1.4100 0.0000 N 0 0 0.0900 2.6200 0.0000 C 0 0 2.2782 3.9687 0.0000 N 0 0 3.6000 -0.9000 0.0000 S 0 0 4.1200 1.5500 0.0000 C 0 0 3.4587 6.7298 0.0000 N 0 0 -1.8700 -0.9000 0.0000 C 0 0 -2.4400 1.5400 0.0000 C 0 0 4.7500 0.1400 0.0000 C 0 0 -3.0300 0.1100 0.0000 C 0 0 1.3783 5.1735 0.0000 C 0 0 3.7663 4.1500 0.0000 C 0 0 4.3572 5.5287 0.0000 C 0 0 1.9692 6.5522 0.0000 C 0 0 3.9314 7.8327 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 4 1 0 6 7 1 0 7 3 2 0 8 3 1 0 9 2 1 0 10 1 1 0 11 18 1 0 12 5 2 0 13 6 1 0 14 10 2 0 15 13 2 0 16 8 1 0 17 8 1 0 18 17 1 0 19 16 1 0 20 11 1 0 14 9 1 0 5 6 1 0 19 11 1 0 15 12 1 0 M END > 148821 > J. Med. Chem. 48(6)-2005 1705-1708 > D2 > 8.0757 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 1.6995 1.5237 0.0000 C 0 0 1.2502 2.9107 0.0000 C 0 0 0.5079 0.6251 0.0000 N 0 0 3.0865 0.9767 0.0000 C 0 0 -0.2344 2.9107 0.0000 C 0 0 -0.7033 1.4651 0.0000 C 0 0 2.0902 4.1804 0.0000 C 0 0 4.6102 3.1646 0.0000 N 0 0 4.3953 1.7386 0.0000 C 0 0 3.2001 -0.5197 0.0000 C 0 0 3.5944 4.2781 0.0000 C 0 0 -1.2502 4.0242 0.0000 C 0 0 -2.1879 1.1135 0.0000 C 0 0 5.7584 3.5135 0.0000 C 0 0 4.5854 -1.1047 0.0000 C 0 0 2.0075 -1.4281 0.0000 C 0 0 -2.7153 3.6921 0.0000 C 0 0 -3.2037 2.2270 0.0000 C 0 0 2.1943 -2.9165 0.0000 C 0 0 4.7721 -2.5930 0.0000 C 0 0 3.5766 -3.4989 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 3 1 0 7 2 1 0 8 9 1 0 9 4 1 0 10 4 1 0 11 7 1 0 12 5 1 0 13 6 1 0 14 8 1 0 15 10 1 0 16 10 2 0 17 12 2 0 18 13 2 0 19 16 1 0 20 15 2 0 21 19 2 0 6 5 2 0 8 11 1 0 17 18 1 0 20 21 1 0 M END > 47966 > J. Med. Chem. 41(23)-1998 4486-4491 > D2 > 4.5654 $$$$ SciTegic07090714462D 21 25 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 3.1884 -2.6409 0.0000 C 0 0 0.9990 0.2893 0.0000 C 0 0 0.2490 -1.0098 0.0000 C 0 0 5.0972 0.1561 0.0000 C 0 0 3.3339 2.5831 0.0000 C 0 0 4.6235 -3.0601 0.0000 C 0 0 2.0991 -3.6745 0.0000 C 0 0 4.8256 2.7399 0.0000 C 0 0 5.7073 1.5264 0.0000 C 0 0 2.4538 -5.1320 0.0000 C 0 0 4.9782 -4.5176 0.0000 C 0 0 3.8933 -5.5535 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 2 1 0 7 9 1 0 8 1 1 0 9 8 1 0 10 3 1 0 6 11 1 1 9 12 1 1 13 4 1 0 14 5 1 0 15 10 2 0 16 10 1 0 17 14 2 0 18 13 2 0 19 16 2 0 20 15 1 0 21 19 1 0 4 5 2 0 11 12 1 0 7 6 1 0 17 18 1 0 21 20 2 0 M END > 84214 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.0000 $$$$ SciTegic07090714462D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 6.4855 -8.2648 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 -2.5956 2.7031 0.0000 C 0 0 6.4855 -9.7648 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 1.5548 -3.6021 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 11 1 0 5 1 2 0 6 1 1 0 7 5 1 0 8 6 2 0 9 2 1 0 10 13 1 0 11 3 1 0 12 4 1 0 13 17 1 0 14 9 1 0 15 10 2 0 16 10 1 0 17 12 1 0 18 11 1 0 19 16 2 0 20 15 1 0 21 19 1 0 7 2 2 0 21 20 2 0 M END > 65619 > J. Med. Chem. 34(6)-1991 1855-1859 > D2 > 5.0306 $$$$ SciTegic07090714462D 21 24 0 0 1 0 999 V2000 1.5933 -0.7158 0.0000 C 0 0 0.3002 0.0231 0.0000 C 0 0 1.5933 -2.2398 0.0000 C 0 0 -0.9929 -0.7158 0.0000 C 0 0 3.9024 -1.4778 0.0000 N 0 0 0.3002 -2.9787 0.0000 C 0 0 3.0480 -2.7017 0.0000 N 0 0 0.5080 1.5240 0.0000 C 0 0 1 0 0 0 -0.9929 -2.2398 0.0000 C 0 0 3.0480 -0.2540 0.0000 C 0 0 -2.0320 2.4938 0.0000 N 0 0 1.9382 1.9787 0.0000 C 0 0 0.3002 -4.1787 0.0000 Cl 0 0 -0.5311 2.6324 0.0000 C 0 0 -2.3784 0.0000 0.0000 C 0 0 -2.8864 1.2238 0.0000 C 0 0 2.1817 3.4629 0.0000 C 0 0 3.1014 1.0331 0.0000 C 0 0 4.5043 1.5641 0.0000 C 0 0 3.5846 3.9939 0.0000 C 0 0 4.7459 3.0445 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 10 2 0 6 3 2 0 7 3 1 0 8 2 1 0 9 6 1 0 10 1 1 0 11 14 1 0 8 12 1 6 13 6 1 0 14 8 1 0 15 4 1 0 16 15 1 0 17 12 1 0 18 12 2 0 19 18 1 0 20 17 2 0 21 19 2 0 7 5 1 0 4 9 2 0 16 11 1 0 20 21 1 0 M END > 147385 > J. Med. Chem. 48(3)-2005 680-693 > D2 > 5.3002 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.2218 4.2301 0.0000 N 0 0 1.2517 3.8078 0.0000 O 0 0 3.6621 2.8384 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.2965 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 1 0 6 2 1 0 7 1 1 0 8 10 1 0 9 6 1 0 10 6 1 0 11 4 2 0 12 5 2 0 13 8 1 0 14 9 1 0 15 7 2 0 16 7 1 0 17 11 1 0 18 12 1 0 19 16 2 0 20 15 1 0 21 19 1 0 5 4 1 0 21 20 2 0 17 18 2 0 13 14 1 0 M END > 86555 > J. Med. Chem. 44(10)-2001 1603-1614 > D2 > 5.7959 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 -1.2957 0.7482 0.0000 N 0 0 0.0000 0.0000 0.0000 C 0 0 -1.2957 2.2447 0.0000 C 0 0 -2.5914 0.0000 0.0000 C 0 0 0.0000 -1.4965 0.0000 C 0 0 -2.5914 -1.4965 0.0000 C 0 0 1.2957 2.2447 0.0000 O 0 0 -1.2957 -2.2629 0.0000 C 0 0 1.2957 0.7482 0.0000 C 0 0 0.0000 3.0112 0.0000 C 0 0 -3.8950 -2.2406 0.0000 N 0 0 -2.3381 2.8392 0.0000 O 0 0 1.2957 -2.2629 0.0000 C 0 0 2.5914 -1.4965 0.0000 C 0 0 2.5914 0.0000 0.0000 C 0 0 -3.9033 -3.7414 0.0000 C 0 0 -5.1923 -1.4861 0.0000 C 0 0 -6.4949 -2.2315 0.0000 C 0 0 -5.2067 -4.4854 0.0000 C 0 0 -7.5323 -1.6282 0.0000 C 0 0 -5.2133 -5.6854 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 10 1 0 8 6 1 0 9 2 2 0 10 3 1 0 11 6 1 0 12 3 2 0 13 5 2 0 14 15 2 0 15 9 1 0 16 11 1 0 17 11 1 0 18 17 1 0 19 16 1 0 20 18 1 0 21 19 1 0 9 7 1 0 8 5 1 0 14 13 1 0 M END > 7887 > J. Med. Chem. 35(6)-1992 1076-1092 > D2 > 5.8703 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 6.3036 -4.8212 0.0000 N 0 0 4.8111 -4.6641 0.0000 C 0 0 6.9148 -6.1919 0.0000 C 0 0 8.4073 -6.3490 0.0000 C 0 0 7.0088 -3.8502 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 9.0201 -7.7182 0.0000 C 0 0 9.2868 -5.1338 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 10.7789 -5.2878 0.0000 C 0 0 10.5122 -7.8721 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 11.3916 -6.6569 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 8 1 0 8 4 1 0 9 7 1 0 10 9 1 0 11 7 1 0 12 6 2 0 13 6 1 0 14 10 2 0 15 10 1 0 16 12 1 0 17 13 2 0 18 15 2 0 19 14 1 0 20 17 1 0 21 18 1 0 5 4 2 0 16 20 2 0 19 21 2 0 M END > 23529 > J. Med. Chem. 38(12)-1995 2251-2255 > D2 > 5.8794 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2979 3.7529 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.2955 5.2529 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3338 5.8546 0.0000 O 0 0 1.3002 3.7488 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.3026 5.2488 0.0000 C 0 0 0.0047 6.0009 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 3 2 1 6 3 4 1 0 4 1 1 0 5 2 2 0 6 1 1 0 7 5 1 0 8 6 1 0 9 8 1 0 10 1 1 0 11 7 1 0 12 2 1 0 13 10 1 0 14 13 1 0 15 12 2 0 16 15 1 0 17 9 2 0 18 9 1 0 19 18 2 0 20 17 1 0 21 19 1 0 14 3 1 0 21 20 2 0 16 7 2 0 M END > 157827 > J. Med. Chem. 37(11)-1994 1727-1732 > D2 > 5.9100 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -6.4965 3.0203 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -9.0965 3.0331 0.0000 C 0 0 -10.5172 3.0833 0.0000 C 0 0 -9.7712 1.7819 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -7.7928 3.7767 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 16 1 0 5 2 1 0 6 13 1 0 7 6 1 0 8 6 1 0 9 1 2 0 10 3 1 0 11 2 1 0 12 10 1 0 13 4 1 0 14 11 1 0 15 11 1 0 16 15 1 0 17 14 1 0 18 3 2 0 19 10 2 0 20 18 1 0 21 20 2 0 12 5 1 0 21 19 1 0 17 4 1 0 8 7 1 0 M END > 15111 > J. Med. Chem. 37(3)-1994 364-370 > D2 > 5.9670 $$$$ SciTegic07090714462D 21 24 0 0 1 0 999 V2000 0.0000 -0.2531 0.0000 C 0 0 -0.7088 -1.6031 0.0000 N 0 0 1.3669 0.0675 0.0000 S 0 0 1.3669 -3.2907 0.0000 C 0 0 2 0 0 0 2.5144 -2.3288 0.0000 C 0 0 1.7058 -4.7526 0.0000 N 0 0 0.0000 -2.9532 0.0000 C 0 0 2.5144 -0.8438 0.0000 C 0 0 2.4853 -7.6518 0.0000 N 0 0 -1.1813 0.7931 0.0000 C 0 0 -2.2275 -1.3838 0.0000 C 0 0 -2.4638 0.0675 0.0000 C 0 0 3.1571 -5.1420 0.0000 C 0 0 0.6477 -5.8151 0.0000 C 0 0 1.0363 -7.2639 0.0000 C 0 0 3.5457 -6.5908 0.0000 C 0 0 3.8307 -3.0713 0.0000 C 0 0 3.8307 0.0000 0.0000 C 0 0 2.7962 -8.8108 0.0000 C 0 0 5.1469 -2.3288 0.0000 C 0 0 5.1469 -0.8438 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 7 1 0 5 8 2 0 4 6 1 6 7 2 1 0 8 3 1 0 9 15 1 0 10 1 2 0 11 2 1 0 12 10 1 0 13 6 1 0 14 6 1 0 15 14 1 0 16 13 1 0 17 5 1 0 18 8 1 0 19 9 1 0 20 21 1 0 21 18 2 0 12 11 2 0 5 4 1 0 20 17 2 0 9 16 1 0 M END > 91881 > J. Med. Chem. 45(2)-2002 344-359 > D2 > 6.2211 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 0.0000 -2.9532 0.0000 C 0 0 -0.7088 -1.6031 0.0000 C 0 0 0.0000 -0.2531 0.0000 N 0 0 1.3669 -3.2907 0.0000 C 0 0 -0.9257 -4.1344 0.0000 N 0 0 1.3669 0.0675 0.0000 C 0 0 2.5144 -2.3288 0.0000 C 0 0 2.5144 -0.8438 0.0000 C 0 0 -2.6041 -6.6259 0.0000 N 0 0 -1.1813 0.7931 0.0000 C 0 0 -2.2275 -1.3838 0.0000 C 0 0 -2.4638 0.0675 0.0000 C 0 0 -0.2682 -5.4886 0.0000 C 0 0 -2.4211 -4.0343 0.0000 C 0 0 -3.2608 -5.2773 0.0000 C 0 0 -1.1079 -6.7316 0.0000 C 0 0 -3.2759 -7.6203 0.0000 C 0 0 3.8307 -3.0713 0.0000 C 0 0 3.8307 0.0000 0.0000 C 0 0 5.1469 -0.8438 0.0000 C 0 0 5.1469 -2.3288 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 2 0 5 1 1 0 6 3 1 0 7 4 1 0 8 7 2 0 9 15 1 0 10 3 1 0 11 2 2 0 12 11 1 0 13 5 1 0 14 5 1 0 15 14 1 0 16 13 1 0 17 9 1 0 18 7 1 0 19 8 1 0 20 21 1 0 21 18 2 0 16 9 1 0 6 8 1 0 12 10 2 0 20 19 2 0 M END > 148822 > J. Med. Chem. 48(6)-2005 1705-1708 > D2 > 6.2381 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -5.1915 4.5101 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.9511 -0.8815 0.0000 S 0 0 -3.8933 3.7570 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 -9.0878 5.2685 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -6.4898 5.2631 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -7.7903 4.5158 0.0000 C 0 0 -9.0847 6.7685 0.0000 C 0 0 -6.4867 6.7631 0.0000 C 0 0 -7.7842 7.5158 0.0000 C 0 0 2 1 1 0 3 6 3 0 4 1 2 0 5 2 1 0 6 17 1 0 7 14 1 0 8 2 2 0 9 5 1 0 10 18 2 0 11 1 1 0 12 8 1 0 13 4 1 0 14 11 1 0 15 3 1 0 16 7 1 0 17 16 1 0 18 15 1 0 19 21 2 0 20 15 2 0 21 20 1 0 7 13 1 0 12 9 2 0 10 19 1 0 M END > 32117 > J. Med. Chem. 39(16)-1996 3179-3187 > D2 > 6.5935 $$$$ SciTegic07090714462D 21 22 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2 0 0 0 3.6375 -0.9049 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 0.0000 2.7000 0.0000 I 0 0 0.0000 -2.7000 0.0000 O 0 0 3.1332 -7.5416 0.0000 C 0 0 1.2541 -5.6376 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 0.3545 -6.4318 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 8 1 0 5 2 1 0 6 1 2 0 7 3 2 0 8 10 1 6 9 2 2 0 10 5 1 0 11 6 1 0 12 11 2 0 13 3 1 0 14 7 1 0 15 6 1 0 16 4 1 0 17 4 1 0 18 19 1 0 19 8 1 0 20 13 1 0 21 17 1 0 7 12 1 0 18 16 1 0 M END > 136500 > Bioorg. Med. Chem. Lett. 13(22)-2003 4015-4017 > D2 > 6.7077 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 -3.6323 6.6070 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.5941 6.0054 0.0000 C 0 0 5.4984 -5.5497 0.0000 S 0 0 0.0000 3.0008 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 4.0312 -5.2378 0.0000 C 0 0 6.2484 -4.2507 0.0000 C 0 0 -1.2979 3.7529 0.0000 C 0 0 5.2447 -3.1359 0.0000 C 0 0 -1.2955 5.2529 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.3002 3.7488 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.3026 5.2488 0.0000 C 0 0 0.0047 6.0009 0.0000 C 0 0 2 8 1 0 3 1 3 0 4 9 1 0 5 11 2 0 6 15 1 0 7 5 1 1 8 7 1 0 9 6 2 0 10 12 2 0 11 13 1 0 12 6 1 0 13 3 1 0 14 2 1 0 15 14 1 0 16 18 1 0 17 20 2 0 18 19 1 0 19 7 1 0 20 21 1 0 21 13 2 0 5 17 1 0 2 16 1 0 4 10 1 0 M END > 18609 > J. Med. Chem. 37(17)-1994 2735-2753 > D2 > 6.9914 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 2.1968 0.6852 0.0000 N 0 0 0.9876 1.5922 0.0000 C 0 0 1.7333 -0.7256 0.0000 C 0 0 -0.2419 0.7054 0.0000 N 0 0 3.6284 1.1358 0.0000 C 0 0 1 0 0 0 4.8723 0.3289 0.0000 C 0 0 6.0258 1.2877 0.0000 N 0 0 0.2217 -0.7054 0.0000 C 0 0 1 0 0 0 3.9735 2.5834 0.0000 C 0 0 7.4786 0.9216 0.0000 C 0 0 5.4703 2.6811 0.0000 C 0 0 2.4305 -1.7022 0.0000 O 0 0 8.5246 1.9979 0.0000 C 0 0 4.9431 -0.8690 0.0000 O 0 0 9.6882 1.7046 0.0000 O 0 0 -0.0548 2.1868 0.0000 C 0 0 2.0407 2.1674 0.0000 C 0 0 -1.7333 0.7457 0.0000 C 0 0 8.1971 3.1523 0.0000 N 0 0 -0.9876 -1.5720 0.0000 C 0 0 -2.1968 -0.7054 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 1 1 6 6 5 1 0 7 6 1 0 8 3 1 6 9 5 1 0 10 7 1 0 11 9 1 0 12 3 2 0 13 10 1 0 14 6 2 0 15 13 2 0 16 2 1 0 17 2 1 0 18 4 1 0 19 13 1 0 20 8 1 0 21 20 1 0 8 4 1 0 7 11 1 0 18 21 1 0 M END > 141118 > J. Med. Chem. 37(22)-1994 3677-3683 > D2 > 7.1135 $$$$ SciTegic07090714462D 21 23 0 0 1 0 999 V2000 -2.3155 0.7475 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 N 0 0 -4.9669 0.8708 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 1 0 0 0 -1.0028 -1.5132 0.0000 C 0 0 -5.9732 1.9832 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 1 0 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.7582 2.9755 0.0000 C 0 0 -7.4632 1.8263 0.0000 C 0 0 -5.2262 3.2840 0.0000 C 0 0 -8.3464 3.0397 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -5.2067 -0.3050 0.0000 O 0 0 -0.9991 -2.7132 0.0000 O 0 0 -9.5398 2.9140 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 -7.8589 4.1362 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 5 1 0 5 1 1 1 6 9 1 0 7 4 1 0 8 2 1 6 9 1 1 0 10 5 1 0 11 7 1 0 12 10 1 0 13 11 1 0 14 2 2 0 15 4 2 0 16 6 2 0 17 13 2 0 18 3 1 0 19 13 1 0 20 8 1 0 21 20 1 0 8 3 1 0 12 7 1 0 18 21 1 0 M END > 145901 > J. Med. Chem. 40(22)-1997 3594-3600 > D2 > 7.1612 $$$$ SciTegic07090714462D 21 24 0 0 0 0 999 V2000 0.8900 -0.4300 0.0000 C 0 0 0.6100 -2.0600 0.0000 C 0 0 -0.3900 0.6300 0.0000 C 0 0 2.4600 0.1500 0.0000 C 0 0 1.9000 -3.1400 0.0000 C 0 0 -1.8600 0.3600 0.0000 C 0 0 3.4700 -2.5600 0.0000 C 0 0 3.7500 -0.9100 0.0000 C 0 0 -0.6600 -2.8300 0.0000 C 0 0 -2.6000 -0.9300 0.0000 C 0 0 0.7300 3.1000 0.0000 N 0 0 -2.0600 -2.3300 0.0000 C 0 0 -0.3900 2.1300 0.0000 C 0 0 1.6951 -4.3224 0.0000 O 0 0 4.3936 -3.3262 0.0000 O 0 0 2.9600 1.5600 0.0000 C 0 0 -2.6100 1.6500 0.0000 C 0 0 2.2100 2.8500 0.0000 C 0 0 -4.0900 -0.9400 0.0000 C 0 0 -4.1100 1.6400 0.0000 C 0 0 -4.8400 0.3400 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 2 0 6 3 1 0 7 8 2 0 8 4 1 0 9 2 1 0 10 6 2 0 11 13 1 0 12 9 1 0 13 3 1 0 14 5 1 0 15 7 1 0 16 4 1 0 17 6 1 0 18 16 1 0 19 10 1 0 20 17 2 0 21 20 1 0 18 11 1 0 7 5 1 0 10 12 1 0 21 19 2 0 M END > 141997 > J. Med. Chem. 38(13)-1995 2395-2409 > D2 > 7.5376 $$$$ SciTegic07090714462D 21 23 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 9.0941 1.4873 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 10.3932 0.7374 0.0000 C 0 0 9.0942 2.9874 0.0000 C 0 0 10.3933 3.7374 0.0000 C 0 0 11.6923 1.4873 0.0000 C 0 0 11.6923 2.9873 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 4 2 0 6 4 1 0 7 3 1 0 8 2 1 0 9 5 1 0 10 14 1 0 11 6 1 0 12 7 1 0 13 16 1 0 14 8 1 0 15 10 1 0 16 15 1 0 17 13 2 0 18 13 1 0 19 18 2 0 20 17 1 0 21 19 1 0 11 8 1 0 9 7 2 0 21 20 2 0 M END > 40332 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.5784 $$$$ SciTegic07090714462D 22 26 0 0 0 0 999 V2000 -1.2594 0.9674 0.0000 N 0 0 -0.9674 2.4458 0.0000 C 0 0 0.8944 2.4276 0.0000 N 0 0 0.0000 0.2373 0.0000 C 0 0 1.2777 0.9674 0.0000 C 0 0 -2.5371 0.2373 0.0000 C 0 0 0.0000 -1.2229 0.0000 C 0 0 -3.8359 -1.9754 0.0000 N 0 0 -2.5371 -1.2229 0.0000 C 0 0 -1.2594 -1.9530 0.0000 C 0 0 -2.5327 -4.2251 0.0000 C 0 0 -5.1392 0.2744 0.0000 C 0 0 -1.7247 3.3767 0.0000 O 0 0 -3.8333 -3.4762 0.0000 C 0 0 -5.1365 -1.2264 0.0000 C 0 0 -5.8887 1.4823 0.0000 C 0 0 -4.3887 1.4818 0.0000 C 0 0 -1.8578 -5.4763 0.0000 C 0 0 -1.1120 -4.1748 0.0000 C 0 0 2.5553 0.2373 0.0000 C 0 0 1.2777 -1.9530 0.0000 C 0 0 2.5553 -1.2229 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 2 0 6 1 1 0 7 4 1 0 8 9 1 0 9 6 1 0 10 9 1 0 11 14 1 0 12 15 1 0 13 2 2 0 14 8 1 0 15 8 1 0 16 12 1 0 17 12 1 0 18 11 1 0 19 11 1 0 20 5 1 0 21 7 2 0 22 21 1 0 5 3 1 0 10 7 1 0 22 20 2 0 16 17 1 0 18 19 1 0 M END > 7905 > J. Med. Chem. 35(6)-1992 1076-1092 > D2 > 5.1118 $$$$ SciTegic07090714462D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -5.1915 4.5101 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 3.8991 -0.7525 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -9.0878 5.2685 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -6.4898 5.2631 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -7.7903 4.5158 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 -9.0847 6.7685 0.0000 C 0 0 -6.4867 6.7631 0.0000 C 0 0 -7.7842 7.5158 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 2 1 1 0 3 4 3 0 4 14 1 0 5 11 1 0 6 2 2 0 7 1 1 0 8 1 1 0 9 15 2 0 10 7 1 0 11 8 1 0 12 3 1 0 13 5 1 0 14 13 1 0 15 12 1 0 16 2 1 0 17 6 1 0 18 20 2 0 19 12 2 0 20 19 1 0 21 16 2 0 22 21 1 0 5 10 1 0 17 22 2 0 9 18 1 0 M END > 32119 > J. Med. Chem. 39(16)-1996 3179-3187 > D2 > 5.2686 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -1.4860 0.3910 0.0000 C 0 0 1.0949 0.3910 0.0000 C 0 0 -2.7999 -0.3598 0.0000 C 0 0 -0.1877 -0.3598 0.0000 C 0 0 1 0 0 0 -3.8948 0.6257 0.0000 S 0 0 -1.7832 1.7988 0.0000 C 0 0 2.4088 -0.3598 0.0000 C 0 0 1.0949 1.8770 0.0000 C 0 0 -3.2691 1.9709 0.0000 C 0 0 -1.4860 -2.6434 0.0000 N 0 0 2.3775 2.6434 0.0000 C 0 0 -0.1877 -1.8770 0.0000 C 0 0 1 0 0 0 3.7071 0.3910 0.0000 C 0 0 3.7071 1.8770 0.0000 C 0 0 -2.7999 -1.8770 0.0000 C 0 0 2.4088 -1.8770 0.0000 C 0 0 1.0949 -2.6434 0.0000 C 0 0 2.3681 3.8434 0.0000 O 0 0 4.7461 2.4773 0.0000 O 0 0 -4.0057 3.2758 0.0000 C 0 0 -5.5064 3.2912 0.0000 C 0 0 -6.0963 4.3362 0.0000 C 0 0 2 4 1 0 3 1 2 0 4 1 1 1 5 3 1 0 6 1 1 0 7 2 2 0 8 2 1 0 9 6 2 0 12 10 1 6 11 8 2 0 12 4 1 0 13 7 1 0 14 11 1 0 15 3 1 0 16 17 1 0 17 12 1 0 18 11 1 0 19 14 1 0 20 9 1 0 21 20 1 0 22 21 1 0 9 5 1 0 15 10 1 0 7 16 1 0 13 14 2 0 M END > 25157 > J. Med. Chem. 38(18)-1995 3445-3447 > D2 > 5.3958 $$$$ SciTegic07090714462D 22 26 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -3.8939 0.7546 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -5.1903 1.5090 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 2 1 2 0 3 4 1 0 4 1 1 0 5 2 1 0 6 1 1 0 7 3 1 0 8 2 1 0 9 6 2 0 4 10 1 6 11 3 1 0 12 10 1 0 13 11 1 0 14 6 1 0 15 9 1 0 16 13 2 0 17 13 1 0 18 14 2 0 19 18 1 0 20 17 2 0 21 16 1 0 22 20 1 0 9 5 1 0 7 8 1 0 7 12 1 6 19 15 2 0 22 21 2 0 M END > 84221 > J. Med. Chem. 36(3)-1993 343-352 > D2 > 5.4377 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 N 0 0 2.3161 3.2733 0.0000 N 0 0 2.5823 0.7000 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 0.8711 -1.3689 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 3.7683 5.9013 0.0000 N 0 0 3.8191 3.3037 0.0000 C 0 0 1.5441 4.5585 0.0000 C 0 0 2.2686 5.8720 0.0000 C 0 0 4.5436 4.6171 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 4.3479 6.9520 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 4 2 0 7 6 1 0 8 5 2 0 9 12 1 0 10 3 1 0 11 3 1 0 12 11 1 0 13 10 1 0 14 4 1 0 15 6 1 0 16 9 1 0 17 5 1 0 18 8 1 0 19 14 2 0 20 19 1 0 21 22 1 0 22 17 2 0 9 13 1 0 7 8 1 0 20 15 2 0 18 21 2 0 M END > 84983 > J. Med. Chem. 44(3)-2001 372-389 > D2 > 5.5686 $$$$ SciTegic07090714462D 22 24 0 0 1 0 999 V2000 1.4700 -0.8100 0.0000 C 0 0 2 0 0 0 1.4700 0.6300 0.0000 C 0 0 -1.0300 -0.8100 0.0000 C 0 0 1 0 0 0 0.2100 -1.5300 0.0000 C 0 0 1 0 0 0 -1.9600 -1.2500 0.0000 N 0 0 0.2100 1.3600 0.0000 C 0 0 -1.0300 0.6300 0.0000 C 0 0 0.9800 0.0900 0.0000 C 0 0 -1.9500 0.1000 0.0000 C 0 0 2.7300 1.3600 0.0000 C 0 0 0.2100 2.8100 0.0000 C 0 0 2.7300 2.8100 0.0000 C 0 0 2.5119 -1.4054 0.0000 C 0 0 1.4700 3.5400 0.0000 C 0 0 -2.7788 -2.5058 0.0000 C 0 0 0.2100 -2.7300 0.0000 C 0 0 -8.6125 -4.7988 0.0000 F 0 0 3.7665 3.4146 0.0000 O 0 0 -7.4142 -4.8623 0.0000 C 0 0 -4.2776 -2.4264 0.0000 C 0 0 -6.5952 -3.6046 0.0000 C 0 0 -5.0965 -3.6841 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 9 1 0 6 2 1 0 7 3 1 0 8 1 1 0 9 8 1 0 10 2 2 0 11 6 2 0 12 10 1 0 1 13 1 1 14 12 2 0 15 5 1 0 4 16 1 6 17 19 1 0 18 12 1 0 19 21 1 0 20 15 1 0 21 22 1 0 22 20 1 0 3 5 1 1 6 7 1 0 11 14 1 0 M END > 9831 > J. Med. Chem. 35(12)-1992 2221-2230 > D2 > 5.5964 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 0.0000 1.5002 0.0000 C 0 0 -1.2852 0.7580 0.0000 C 0 0 1.2943 0.7421 0.0000 C 0 0 1.2850 -0.7580 0.0000 C 0 0 -1.2945 -0.7421 0.0000 C 0 0 -0.0185 -1.5001 0.0000 C 0 0 0.0046 3.0009 0.0000 C 0 0 0.0254 6.0008 0.0000 N 0 0 -1.2891 3.7598 0.0000 C 0 0 1.3089 3.7420 0.0000 C 0 0 1.3192 5.2419 0.0000 C 0 0 -1.2788 5.2598 0.0000 C 0 0 -0.0296 -2.7001 0.0000 O 0 0 2.5978 1.4841 0.0000 C 0 0 -2.5978 1.5162 0.0000 C 0 0 2.5793 -1.5161 0.0000 C 0 0 -2.6163 -1.4841 0.0000 C 0 0 0.0336 7.2008 0.0000 C 0 0 3.8921 0.7261 0.0000 C 0 0 -3.9013 0.7741 0.0000 C 0 0 3.8828 -0.7741 0.0000 C 0 0 -3.9106 -0.7260 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 2 0 5 2 1 0 6 4 1 0 7 1 2 0 8 11 1 0 9 7 1 0 10 7 1 0 11 10 1 0 12 9 1 0 13 6 1 0 14 3 1 0 15 2 2 0 16 4 1 0 17 5 2 0 18 8 1 0 19 14 2 0 20 15 1 0 21 19 1 0 22 20 2 0 12 8 1 0 5 6 1 0 16 21 2 0 17 22 1 0 M END > 140603 > J. Med. Chem. 37(7)-1994 950-962 > D2 > 5.7959 $$$$ SciTegic07090714462D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2641 -2.2299 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.3239 -0.1258 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 2.5451 -3.0103 0.0000 C 0 0 -0.0523 -2.9490 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1876 6.0124 0.0000 C 0 0 -2.5896 6.0034 0.0000 C 0 0 -0.0877 -4.4486 0.0000 C 0 0 2.5097 -4.5099 0.0000 C 0 0 -2.5844 7.5034 0.0000 C 0 0 -5.1824 7.5124 0.0000 C 0 0 -3.8808 8.2579 0.0000 C 0 0 1.1933 -5.2290 0.0000 C 0 0 2 6 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 4 1 0 7 3 1 0 8 1 1 0 9 2 1 0 10 14 1 0 11 9 1 0 12 5 2 0 13 5 1 0 14 11 1 0 15 10 2 0 16 10 1 0 17 13 2 0 18 12 1 0 19 16 2 0 20 15 1 0 21 19 1 0 22 17 1 0 7 2 1 0 22 18 2 0 21 20 2 0 M END > 5887 > J. Med. Chem. 34(12)-1991 3360-3365 > D2 > 5.9031 $$$$ SciTegic07090714462D 22 24 0 0 1 0 999 V2000 6.6309 -3.3619 0.0000 C 0 0 6.1190 -1.9511 0.0000 C 0 0 0.8900 -0.2000 0.0000 N 0 0 4.1300 -0.2800 0.0000 C 0 0 2 0 0 0 4.6413 -1.6882 0.0000 N 0 0 8.1074 -3.6269 0.0000 C 0 0 2.5700 0.6800 0.0000 C 0 0 1 0 0 0 5.6633 -4.5082 0.0000 C 0 0 8.6162 -5.0379 0.0000 C 0 0 6.1722 -5.9193 0.0000 C 0 0 7.6486 -6.1841 0.0000 C 0 0 1.6800 1.0100 0.0000 C 0 0 2.5700 2.0400 0.0000 C 0 0 4.9300 0.8600 0.0000 C 0 0 6.8915 -1.0328 0.0000 O 0 0 3.3900 1.8000 0.0000 C 0 0 2 0 0 0 8.0556 -7.3130 0.0000 N 0 0 3.3700 2.8600 0.0000 C 0 0 5.3981 -6.8362 0.0000 Cl 0 0 9.0779 -2.4821 0.0000 O 0 0 -0.0189 -0.9835 0.0000 C 0 0 10.2587 -2.6957 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 5 1 6 5 2 1 0 6 1 1 0 7 4 1 0 8 1 2 0 9 6 2 0 10 8 1 0 11 10 2 0 12 16 1 0 7 13 1 6 14 4 1 0 15 2 2 0 16 14 1 0 17 11 1 0 16 18 1 1 19 10 1 0 20 6 1 0 21 3 1 0 22 20 1 0 9 11 1 0 13 18 1 0 3 12 1 0 M END > 135755 > Bioorg. Med. Chem. Lett. 12(2)-2002 189-192 > D2 > 6.0000 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -0.5400 -0.6300 0.0000 C 0 0 0.2700 0.6600 0.0000 C 0 0 2 0 0 0 -0.1600 2.1200 0.0000 C 0 0 1 0 0 0 -2.0800 -0.7600 0.0000 C 0 0 0.3200 -1.8600 0.0000 C 0 0 -1.6000 2.6600 0.0000 N 0 0 1.7900 0.3400 0.0000 C 0 0 -0.2800 -3.2600 0.0000 C 0 0 -1.8400 -3.4000 0.0000 C 0 0 -2.7300 -2.1400 0.0000 C 0 0 0.8300 3.2700 0.0000 C 0 0 2.8300 1.4800 0.0000 C 0 0 -2.9300 1.8700 0.0000 C 0 0 -3.1400 0.3500 0.0000 C 0 0 2.3500 2.9400 0.0000 C 0 0 -2.3437 -4.4892 0.0000 Cl 0 0 0.4247 -4.2313 0.0000 O 0 0 -1.7062 3.8553 0.0000 C 0 0 2.2700 -1.1000 0.0000 C 0 0 4.3300 1.1500 0.0000 C 0 0 3.7800 -1.4300 0.0000 C 0 0 4.8000 -0.3000 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 2 0 6 3 1 0 2 7 1 6 8 5 1 0 9 8 2 0 10 4 2 0 3 11 1 1 12 7 2 0 13 14 1 0 14 4 1 0 15 12 1 0 16 9 1 0 17 8 1 0 18 6 1 0 19 7 1 0 20 12 1 0 21 19 2 0 22 21 1 0 10 9 1 0 13 6 1 0 15 11 1 0 22 20 2 0 M END > 147372 > J. Med. Chem. 48(3)-2005 680-693 > D2 > 6.0088 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 2 0 0 0 -1.8409 4.2089 0.0000 C 0 0 2 0 0 0 -3.3408 4.2142 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 3.8991 -0.7525 0.0000 N 0 0 2.5965 -3.0004 0.0000 N 0 0 -0.5267 4.9336 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 0.9321 4.6886 0.0000 C 0 0 -1.0698 6.3446 0.0000 C 0 0 1.8882 5.8445 0.0000 C 0 0 -0.1138 7.5004 0.0000 C 0 0 1.3652 7.2504 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 12 1 0 6 7 1 0 1 7 1 1 8 4 2 0 9 4 1 0 2 10 1 6 11 13 1 0 12 14 1 0 13 6 1 0 14 6 1 0 15 16 1 0 16 9 2 0 17 8 1 0 18 10 1 0 19 10 2 0 20 18 2 0 21 19 1 0 22 21 2 0 3 2 1 0 5 11 1 0 22 20 1 0 15 17 2 0 M END > 61033 > J. Med. Chem. 43(21)-2000 3923-3932 > D2 > 6.1158 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1749 2.6315 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 2.8877 5.5424 0.0000 N 0 0 3.6113 3.0471 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 3.1745 6.7076 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 6 1 0 5 1 1 0 6 1 1 0 7 11 1 0 8 5 1 0 9 5 1 0 10 4 1 0 11 9 1 0 12 8 1 0 13 2 2 0 14 3 2 0 15 7 1 0 16 10 1 0 17 10 2 0 18 13 1 0 19 18 2 0 20 16 2 0 21 17 1 0 22 21 2 0 3 4 1 0 12 7 1 0 14 19 1 0 22 20 1 0 M END > 26748 > J. Med. Chem. 38(22)-1995 4380-4392 > D2 > 6.1612 $$$$ SciTegic07090714462D 22 25 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 6.5873 3.5462 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 8.0566 3.8517 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 9.0572 2.7341 0.0000 C 0 0 8.5244 5.2769 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 9.9925 5.5846 0.0000 C 0 0 10.5254 3.0417 0.0000 C 0 0 10.9930 4.4670 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 9 1 0 5 1 1 0 6 7 1 0 7 1 1 0 8 5 1 0 9 13 1 0 10 12 1 0 11 4 1 0 12 6 1 0 13 6 1 0 14 5 2 0 15 8 2 0 16 11 2 0 17 11 1 0 18 14 1 0 19 18 2 0 20 17 2 0 21 16 1 0 22 20 1 0 2 8 1 0 10 4 1 0 15 19 1 0 21 22 2 0 M END > 30744 > J. Med. Chem. 39(10)-1996 1941-1942 > D2 > 6.9208 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8207 0.7384 0.0000 C 0 0 -6.5260 1.4899 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -7.8175 -0.7588 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2064 -0.7531 0.0000 C 0 0 -6.5194 -1.5046 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 -9.1188 1.4842 0.0000 C 0 0 -9.1122 -1.5103 0.0000 C 0 0 -10.4136 0.7327 0.0000 C 0 0 -10.4103 -0.7645 0.0000 C 0 0 2 1 1 0 3 10 1 0 4 1 2 0 5 6 1 0 6 3 1 0 7 1 1 0 8 2 1 0 9 12 1 0 8 10 1 4 11 3 1 0 12 11 1 0 13 7 1 0 14 7 2 0 15 4 1 0 16 13 1 0 17 14 1 0 18 15 1 0 19 5 2 0 20 9 2 0 21 19 1 0 22 20 1 0 17 15 2 0 16 8 1 0 9 5 1 0 22 21 2 0 M END > 40355 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 6.9586 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -0.9000 -0.9600 0.0000 C 0 0 2 0 0 0 0.7200 -0.9600 0.0000 C 0 0 1 0 0 0 -1.2900 -2.4500 0.0000 O 0 0 -1.9100 0.4100 0.0000 C 0 0 1.5800 0.2500 0.0000 C 0 0 1.2400 1.7400 0.0000 C 0 0 -1.5700 1.6900 0.0000 C 0 0 -0.1400 2.4200 0.0000 C 0 0 0.0000 -3.3300 0.0000 C 0 0 2 0 0 0 1.1800 -2.3600 0.0000 C 0 0 0.0703 -4.8257 0.0000 C 0 0 -1.1922 -5.6373 0.0000 N 0 0 -3.4200 0.0000 0.0000 C 0 0 3.0400 -0.2100 0.0000 C 0 0 -2.6400 2.9000 0.0000 C 0 0 2.3600 2.7900 0.0000 C 0 0 -1.1358 -6.8359 0.0000 C 0 0 -2.2587 -5.0872 0.0000 C 0 0 -4.5300 0.9900 0.0000 C 0 0 4.1800 0.8400 0.0000 C 0 0 -4.1300 2.4900 0.0000 C 0 0 3.8400 2.3100 0.0000 C 0 0 2 1 1 0 1 3 1 6 4 1 1 0 5 2 1 0 6 5 2 0 7 4 2 0 8 7 1 0 9 3 1 0 2 10 1 1 9 11 1 6 12 11 1 0 13 4 1 0 14 5 1 0 15 7 1 0 16 6 1 0 17 12 1 0 18 12 1 0 19 13 2 0 20 14 2 0 21 19 1 0 22 20 1 0 9 10 1 0 8 6 1 0 21 15 2 0 16 22 2 0 M END > 148839 > J. Med. Chem. 48(6)-2005 1709-1712 > D2 > 7.2147 $$$$ SciTegic07090714462D 22 25 0 0 1 0 999 V2000 -0.6588 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -1.9399 0.8968 0.0000 O 0 0 1.9399 0.1464 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -0.6588 -1.3543 0.0000 C 0 0 2.4524 2.5256 0.0000 C 0 0 0.9517 2.3608 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 -4.5532 2.4005 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 2 0 0 0 -3.2576 -1.3543 0.0000 C 0 0 -5.8490 4.6546 0.0000 C 0 0 -5.8513 3.1537 0.0000 C 0 0 -4.5555 0.8997 0.0000 C 0 0 -7.1453 5.4093 0.0000 C 0 0 -4.5472 5.4000 0.0000 C 0 0 -4.5419 6.9000 0.0000 C 0 0 -7.1399 6.9093 0.0000 C 0 0 -5.8382 7.6546 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 4 1 0 6 1 1 0 7 8 2 0 8 2 1 0 9 10 1 0 10 6 2 0 11 6 1 0 12 17 1 0 13 3 1 0 14 11 1 0 15 16 1 0 16 12 1 0 13 17 1 6 18 15 1 0 19 15 2 0 20 19 1 0 21 18 2 0 22 20 2 0 13 14 1 0 9 4 2 0 5 7 1 0 22 21 1 0 M END > 52015 > J. Med. Chem. 42(11)-1999 2007-2020 > D2 > 7.4449 $$$$ SciTegic07090714462D 22 24 0 0 0 0 999 V2000 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 10.3928 0.7351 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 9.0941 1.4873 0.0000 C 0 0 11.6945 1.4805 0.0000 C 0 0 10.3877 -0.7650 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 11.6841 -1.5195 0.0000 C 0 0 12.9909 0.7260 0.0000 C 0 0 12.9858 -0.7740 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 4 2 0 6 4 1 0 7 3 1 0 8 2 1 0 9 5 1 0 10 14 1 0 11 6 1 0 12 7 1 0 13 16 1 0 14 8 1 0 15 10 1 0 16 19 1 0 17 13 2 0 18 13 1 0 19 15 1 0 20 18 2 0 21 17 1 0 22 20 1 0 11 8 1 0 9 7 2 0 22 21 2 0 M END > 40331 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 7.8697 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 -5.1894 6.0109 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -5.3273 7.4917 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -7.5445 6.5046 0.0000 S 0 0 2.5987 -1.5004 0.0000 C 0 0 -6.5408 5.3898 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.4308 8.2894 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -6.7945 7.8036 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 6.2328 -3.6062 0.0000 F 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 21 1 0 5 7 1 0 6 2 1 0 7 1 1 0 8 14 1 0 9 13 1 0 10 3 2 0 11 6 2 0 12 6 1 0 13 4 1 0 14 4 1 0 15 3 1 0 16 18 1 0 17 1 1 0 18 12 2 0 19 11 1 0 20 16 1 0 21 23 1 0 22 17 1 0 23 22 1 0 5 15 1 0 9 2 1 0 19 16 2 0 M END > 33328 > J. Med. Chem. 39(20)-1996 4044-4057 > D2 > 4.8894 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -3.6414 7.4935 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6365 5.9928 0.0000 N 0 0 -3.6267 2.9927 0.0000 N 0 0 1.7138 1.2033 0.0000 O 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3460 8.2499 0.0000 N 0 0 -4.9440 8.2373 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -4.9331 5.2385 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -3.6187 1.4919 0.0000 C 0 0 -4.9282 3.7385 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -3.6559 10.4936 0.0000 C 0 0 -4.9513 9.7373 0.0000 C 0 0 -2.3533 9.7499 0.0000 C 0 0 2 1 2 0 3 5 1 0 4 1 1 0 5 17 1 0 6 18 1 0 7 2 1 0 8 2 1 0 9 13 1 0 10 3 2 0 11 3 1 0 12 1 1 0 13 4 1 0 14 12 2 0 15 4 2 0 16 19 1 0 17 20 1 0 18 9 1 0 19 6 1 0 20 6 1 0 21 22 1 0 22 11 2 0 23 10 1 0 7 14 1 0 9 8 1 0 5 16 1 0 21 23 2 0 M END > 75566 > J. Med. Chem. 43(24)-2000 4678-4693 > D2 > 5.1400 $$$$ SciTegic07090714462D 23 26 0 0 0 0 999 V2000 0.7675 0.7249 0.0000 C 0 0 2.0752 0.0000 0.0000 C 0 0 -0.5259 0.0000 0.0000 C 0 0 4.9890 0.7391 0.0000 N 0 0 -0.5259 -1.5209 0.0000 C 0 0 0.7648 1.9249 0.0000 O 0 0 2.0752 -1.5209 0.0000 C 0 0 3.1412 -1.0518 0.0000 C 0 0 2.4448 1.4214 0.0000 C 0 0 0.7675 -2.2742 0.0000 C 0 0 6.4454 1.0998 0.0000 C 0 0 3.8946 1.8194 0.0000 C 0 0 4.5768 -0.6823 0.0000 C 0 0 7.4867 0.0189 0.0000 C 0 0 -1.8194 0.7249 0.0000 C 0 0 -1.8194 -2.2742 0.0000 C 0 0 8.9433 0.3773 0.0000 C 0 0 7.0689 -1.4218 0.0000 C 0 0 -3.1270 0.0000 0.0000 C 0 0 -3.1270 -1.5209 0.0000 C 0 0 8.1076 -2.5040 0.0000 C 0 0 9.9820 -0.7049 0.0000 C 0 0 9.5641 -2.1455 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 12 1 0 5 3 1 0 6 1 2 0 7 2 1 0 8 2 1 0 9 2 1 0 10 5 1 0 11 4 1 0 12 9 1 0 13 8 1 0 14 11 1 0 15 3 2 0 16 5 2 0 17 14 1 0 18 14 2 0 19 15 1 0 20 19 2 0 21 18 1 0 22 17 2 0 23 21 2 0 7 10 1 0 13 4 1 0 16 20 1 0 22 23 1 0 M END > 43328 > J. Med. Chem. 41(10)-1998 1557-1560 > D2 > 5.2596 $$$$ SciTegic07090714462D 23 27 0 0 1 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2 0 0 0 5.0539 -4.0303 0.0000 N 0 0 0.0000 1.7286 0.0000 C 0 0 1 0 0 0 3.6079 -4.4294 0.0000 N 0 0 3.7175 -2.0053 0.0000 C 0 0 2.7822 -3.1780 0.0000 C 0 0 3.1695 -0.6090 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 N 0 0 2.5913 1.9239 0.0000 C 0 0 5.1212 -2.5318 0.0000 N 0 0 1.2990 -2.9545 0.0000 C 0 0 -0.1116 3.2255 0.0000 C 0 0 2.4792 3.4197 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 1.1278 4.0705 0.0000 C 0 0 -2.2897 1.8259 0.0000 C 0 0 3.9428 1.2730 0.0000 C 0 0 3.7186 4.2647 0.0000 C 0 0 5.1822 2.1180 0.0000 C 0 0 5.0700 3.6138 0.0000 C 0 0 2 1 1 0 3 12 1 0 4 2 1 0 5 7 1 0 6 8 1 0 7 13 1 0 8 1 2 0 9 1 1 0 10 4 1 0 2 11 1 6 12 6 1 0 13 9 2 0 4 14 1 1 15 11 2 0 16 17 1 0 17 9 1 0 18 15 1 0 19 10 1 0 20 11 1 0 21 15 1 0 22 20 2 0 23 22 1 0 16 10 1 0 6 7 2 0 5 3 2 0 18 14 1 0 23 21 2 0 M END > 147373 > J. 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Chem. 42(13)-1999 2469-2477 > D2 > 5.7696 $$$$ SciTegic07090714462D 23 27 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 0.9990 -0.2893 0.0000 C 0 0 0.2489 1.0098 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 3.3339 -2.5831 0.0000 C 0 0 5.0972 -0.1560 0.0000 C 0 0 -6.4994 -0.7433 0.0000 C 0 0 -5.2004 -2.9933 0.0000 C 0 0 4.8257 -2.7399 0.0000 C 0 0 5.7073 -1.5263 0.0000 C 0 0 -6.4995 -3.7433 0.0000 C 0 0 -7.7985 -1.4932 0.0000 C 0 0 -7.7985 -2.9932 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 1 1 0 7 4 1 0 8 2 1 0 9 6 2 0 10 4 1 0 3 11 1 6 12 11 1 0 13 10 1 0 14 13 1 0 15 6 1 0 16 9 1 0 17 14 1 0 18 14 2 0 19 15 2 0 20 19 1 0 21 18 1 0 22 17 2 0 23 21 2 0 9 5 1 0 7 8 1 0 7 12 1 6 20 16 2 0 23 22 1 0 M END > 84222 > J. 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Chem. 40(17)-1997 2688-2693 > D2 > 6.1113 $$$$ SciTegic07090714462D 23 25 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -13.0113 0.7342 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -14.3102 1.4843 0.0000 C 0 0 -11.7121 1.4840 0.0000 C 0 0 -15.3495 0.8844 0.0000 N 0 0 -5.2109 0.7445 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4109 0.7361 0.0000 O 0 0 -13.0110 3.7342 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -14.3101 2.9843 0.0000 C 0 0 -11.7120 2.9841 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 8 1 0 5 11 1 0 6 1 1 0 7 4 2 0 8 13 1 0 9 7 1 0 10 17 1 0 11 6 1 0 12 16 1 0 13 19 1 0 14 21 1 0 15 2 2 0 16 10 1 0 17 6 1 0 18 3 2 0 19 12 1 0 20 14 2 0 21 8 2 0 22 15 1 0 23 22 2 0 5 3 1 0 23 18 1 0 7 20 1 0 M END > 40314 > J. Med. Chem. 40(26)-1997 4235-4256 > D2 > 6.3261 $$$$ 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. 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