SciTegic07110717422D 14 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 -2.3387 3.1524 0.0000 O 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 C 0 0 -2.5986 7.5049 0.0000 C 0 0 -3.8979 8.2562 0.0000 O 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 14 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 M END > ZINC03833905 > 1 $$$$ SciTegic07110717422D 17 19 0 0 0 0 999 V2000 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 N 0 0 -7.4980 -0.8010 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 7 8 2 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03833924 > 2 $$$$ SciTegic07110717422D 19 21 0 0 0 0 999 V2000 -7.4919 2.1792 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 2 0 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 1 0 0 0 -7.4980 -0.8010 0.0000 O 0 0 -7.4841 -2.2593 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 9 1 0 5 6 1 0 6 7 1 0 6 8 1 6 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 19 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03833926 > 2 $$$$ SciTegic07110717422D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2993 3.7521 0.0000 C 0 0 2.3387 3.1524 0.0000 O 0 0 1.2992 5.2529 0.0000 N 0 0 2.5985 6.0041 0.0000 C 0 0 3.8992 5.2554 0.0000 C 0 0 3.9011 3.7554 0.0000 C 0 0 5.2011 3.0070 0.0000 C 0 0 6.4992 3.7587 0.0000 C 0 0 6.4973 5.2587 0.0000 C 0 0 5.1973 6.0070 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 18 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03833906 > 3 $$$$ SciTegic07110717422D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 -2.3387 3.1524 0.0000 O 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 C 0 0 -2.5986 7.5049 0.0000 C 0 0 -1.2996 8.2549 0.0000 C 0 0 -1.2996 9.7549 0.0000 C 0 0 -2.5986 10.5049 0.0000 C 0 0 -3.8976 9.7549 0.0000 C 0 0 -3.8976 8.2549 0.0000 C 0 0 -4.9369 10.3549 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 19 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03565391 > 3 $$$$ SciTegic07110717422D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 -3.8990 0.7508 0.0000 C 0 0 -5.1988 1.5012 0.0000 N 0 0 -6.4990 0.7516 0.0000 C 0 0 -6.4994 -0.4484 0.0000 O 0 0 -7.7988 1.5020 0.0000 C 0 0 -9.0990 0.7524 0.0000 C 0 0 -10.3975 1.5033 0.0000 C 0 0 -11.6971 0.7541 0.0000 C 0 0 -11.6980 -0.7459 0.0000 C 0 0 -10.3994 -1.4967 0.0000 C 0 0 -9.0999 -0.7476 0.0000 C 0 0 -8.0611 -1.3482 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 M END > ZINC03833907 > 4 $$$$ SciTegic07110717422D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 -2.3387 3.1524 0.0000 O 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 C 0 0 -2.5986 7.5049 0.0000 C 0 0 -3.8979 8.2562 0.0000 C 0 0 -3.8969 9.7562 0.0000 C 0 0 -5.1955 10.5070 0.0000 C 0 0 -6.4950 9.7578 0.0000 C 0 0 -6.4960 8.2578 0.0000 C 0 0 -5.1974 7.5070 0.0000 C 0 0 -7.5356 7.6585 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 20 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03833908 > 4 $$$$ SciTegic07110717422D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2993 3.7521 0.0000 C 0 0 -2.3387 3.1524 0.0000 O 0 0 -1.2993 5.2529 0.0000 N 0 0 -2.5986 6.0041 0.0000 C 0 0 -2.5986 7.5049 0.0000 C 0 0 -3.8979 8.2562 0.0000 C 0 0 -3.8969 9.7562 0.0000 C 0 0 -5.1955 10.5070 0.0000 C 0 0 -6.4950 9.7578 0.0000 C 0 0 -6.4960 8.2578 0.0000 C 0 0 -5.1974 7.5070 0.0000 C 0 0 -7.5339 10.3585 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 20 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 M END > ZINC03833896 > 4 $$$$ SciTegic07110717422D 21 22 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 -3.8990 0.7508 0.0000 C 0 0 -5.1988 1.5012 0.0000 N 0 0 -6.4990 0.7516 0.0000 C 0 0 -6.4994 -0.4484 0.0000 O 0 0 -7.7988 1.5020 0.0000 C 0 0 -9.0990 0.7524 0.0000 C 0 0 -10.3975 1.5033 0.0000 C 0 0 -11.6971 0.7541 0.0000 C 0 0 -11.6980 -0.7459 0.0000 C 0 0 -10.3994 -1.4967 0.0000 C 0 0 -9.0999 -0.7476 0.0000 C 0 0 -8.0611 -1.3482 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 M END > ZINC03833909 > 4 $$$$ SciTegic07110717422D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 C 0 0 -4.2010 -3.2957 0.0000 N 0 0 -4.9530 -1.9978 0.0000 N 0 0 -3.9511 -0.8815 0.0000 C 0 0 -6.4458 -1.8433 0.0000 C 0 0 -7.2285 -3.1250 0.0000 N 0 0 -8.7279 -3.0832 0.0000 C 0 0 -9.4415 -1.7638 0.0000 C 0 0 -8.6557 -0.4862 0.0000 C 0 0 -7.1563 -0.5279 0.0000 N 0 0 -9.3697 0.8340 0.0000 C 0 0 1 0 0 0 -10.5692 0.8681 0.0000 F 0 0 -8.7407 1.8559 0.0000 F 0 0 -9.9400 1.8897 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 7 11 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 1 18 20 1 0 18 21 1 0 M END > ZINC03832022 > 5 $$$$ SciTegic07110717422D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 N 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 C 0 0 6.4458 1.8433 0.0000 C 0 0 7.2285 3.1250 0.0000 N 0 0 8.7279 3.0833 0.0000 C 0 0 9.4415 1.7639 0.0000 C 0 0 8.6557 0.4862 0.0000 C 0 0 7.1563 0.5279 0.0000 N 0 0 9.3697 -0.8339 0.0000 C 0 0 1 0 0 0 10.5692 -0.8681 0.0000 F 0 0 8.7407 -1.8559 0.0000 F 0 0 9.9400 -1.8897 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 1 18 20 1 0 18 21 1 0 M END > ZINC03833902 > 5 $$$$ SciTegic07110717422D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 1 0 0 0 3.6384 0.9011 0.0000 F 0 0 2.5984 2.7004 0.0000 F 0 0 3.6377 2.1009 0.0000 F 0 0 -2.5987 1.5004 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.2907 4.9251 0.0000 C 0 0 -6.7982 6.3366 0.0000 N 0 0 -5.8296 7.4819 0.0000 C 0 0 -4.3534 7.2156 0.0000 C 0 0 -3.8459 5.8041 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 6 7 1 0 7 8 1 6 7 9 1 0 7 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 2 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03833904 > 5 $$$$ SciTegic07110717422D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.7342 2.9815 0.0000 C 0 0 4.2010 3.2957 0.0000 N 0 0 4.9530 1.9978 0.0000 N 0 0 3.9511 0.8815 0.0000 C 0 0 6.4458 1.8433 0.0000 C 0 0 7.2285 3.1250 0.0000 N 0 0 8.7279 3.0833 0.0000 C 0 0 9.4415 1.7639 0.0000 C 0 0 8.6557 0.4862 0.0000 C 0 0 7.1563 0.5279 0.0000 N 0 0 9.3697 -0.8339 0.0000 C 0 0 1 0 0 0 10.5692 -0.8681 0.0000 F 0 0 8.7407 -1.8559 0.0000 F 0 0 9.9400 -1.8897 0.0000 F 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 1 18 20 1 0 18 21 1 0 M END > ZINC03591542 > 5 $$$$ SciTegic07110717422D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -2.5989 -1.5003 0.0000 N 0 3 -1.3863 -2.3198 0.0000 N 0 0 -1.8514 -3.7459 0.0000 C 0 0 -3.3514 -3.7443 0.0000 C 0 0 -3.8133 -2.3172 0.0000 C 0 0 -4.2348 -4.9574 0.0000 C 0 0 -3.5198 -6.2780 0.0000 C 0 0 -4.3090 -7.5536 0.0000 C 0 0 -5.8083 -7.5078 0.0000 C 0 0 -6.5184 -6.1865 0.0000 C 0 0 -5.7291 -4.9109 0.0000 C 0 0 -6.2968 -3.8537 0.0000 Cl 0 0 -6.6007 -8.7825 0.0000 N 0 3 -7.8001 -8.7442 0.0000 O 0 0 -6.0345 -9.8405 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 1 0 M CHG 3 8 1 20 1 22 -1 M END > ZINC03833937 > 5 $$$$ SciTegic07110717422D 23 25 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 N 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.3205 4.6976 0.0000 N 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.2483 7.2947 0.0000 C 0 0 -4.7489 7.2530 0.0000 C 0 0 -4.0353 5.9336 0.0000 N 0 0 -3.9626 8.5313 0.0000 C 0 0 1 0 0 0 -4.5328 9.5872 0.0000 F 0 0 -2.7631 8.4976 0.0000 F 0 0 -3.3335 9.5532 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 1 20 22 1 0 20 23 1 0 M END > ZINC03833900 > 5 $$$$ SciTegic07110717422D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 C 0 0 -0.7537 5.2860 0.0000 N 0 0 0.7463 5.2884 0.0000 N 0 0 1.2121 3.8625 0.0000 C 0 0 1.6265 6.5039 0.0000 C 0 0 0.9080 7.8226 0.0000 N 0 0 1.6938 9.1002 0.0000 C 0 0 3.1932 9.0585 0.0000 C 0 0 3.9068 7.7391 0.0000 C 0 0 3.1210 6.4614 0.0000 N 0 0 5.4070 7.6974 0.0000 C 0 0 1 0 0 0 6.0364 8.7191 0.0000 F 0 0 5.9776 6.6417 0.0000 F 0 0 6.6066 7.6635 0.0000 F 0 0 -2.5973 1.5031 0.0000 N 0 3 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 22 1 0 5 6 1 0 5 7 1 0 7 11 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 1 18 20 1 0 18 21 1 0 22 23 2 0 22 24 1 0 M CHG 2 22 1 24 -1 M END > ZINC03591544 > 5 $$$$ SciTegic07110717422D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 3 2.5955 2.7031 0.0000 O 0 0 3.6375 0.9049 0.0000 O 0 5 -2.3383 1.3500 0.0000 Cl 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 C 0 0 -4.2010 -3.2957 0.0000 N 0 3 -4.9530 -1.9978 0.0000 N 0 0 -3.9511 -0.8815 0.0000 C 0 0 -5.6821 -3.4313 0.0000 C 0 0 -6.5475 -2.2061 0.0000 N 0 0 -8.0412 -2.3429 0.0000 C 0 0 -8.6696 -3.7049 0.0000 C 0 0 -7.8043 -4.9301 0.0000 C 0 0 -6.3105 -4.7933 0.0000 N 0 0 -8.4331 -6.2929 0.0000 C 0 0 1 0 0 0 -9.6280 -6.4031 0.0000 F 0 0 -7.7405 -7.2728 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 4 10 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 6 22 24 1 0 M CHG 3 7 1 9 -1 13 1 M END > ZINC03833931 > 5 $$$$ SciTegic07110717422D 25 27 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 N 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.3205 4.6976 0.0000 N 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.2483 7.2947 0.0000 C 0 0 -4.7489 7.2530 0.0000 C 0 0 -4.0353 5.9336 0.0000 N 0 0 -3.9626 8.5313 0.0000 C 0 0 1 0 0 0 -4.5328 9.5872 0.0000 F 0 0 -2.7631 8.4976 0.0000 F 0 0 -3.3335 9.5532 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03591536 > 5 $$$$ SciTegic07110717422D 26 28 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 C 0 0 -0.7537 5.2860 0.0000 N 0 0 0.7463 5.2884 0.0000 N 0 0 1.2121 3.8625 0.0000 C 0 0 1.6265 6.5039 0.0000 C 0 0 0.9080 7.8226 0.0000 N 0 0 1.6938 9.1002 0.0000 C 0 0 3.1932 9.0585 0.0000 C 0 0 3.9068 7.7391 0.0000 C 0 0 3.1210 6.4614 0.0000 N 0 0 5.4070 7.6974 0.0000 C 0 0 1 0 0 0 6.0364 8.7191 0.0000 F 0 0 5.9776 6.6417 0.0000 F 0 0 6.6066 7.6635 0.0000 F 0 0 -2.5973 1.5031 0.0000 N 0 3 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 24 1 0 7 8 1 0 7 9 1 0 9 13 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 1 20 22 1 0 20 23 1 0 24 25 2 0 24 26 1 0 M CHG 2 24 1 26 -1 M END > ZINC03591546 > 5 $$$$ SciTegic07110717422D 28 30 0 0 0 0 999 V2000 3.8990 -0.7508 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 2.5984 -2.7004 0.0000 O 0 0 2.5992 -0.3004 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 3 1.0432 3.5994 0.0000 O 0 0 -1.0351 3.6026 0.0000 O 0 5 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 N 0 0 -4.2067 3.2905 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.3205 4.6976 0.0000 N 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.2483 7.2947 0.0000 C 0 0 -4.7489 7.2530 0.0000 C 0 0 -4.0353 5.9336 0.0000 N 0 0 -3.9626 8.5313 0.0000 C 0 0 1 0 0 0 -4.5328 9.5872 0.0000 F 0 0 -2.7631 8.4976 0.0000 F 0 0 -3.3335 9.5532 0.0000 F 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 1 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 14 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 14 18 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 1 25 27 1 0 25 28 1 0 M CHG 2 11 1 13 -1 M END > ZINC03591540 > 5 $$$$ SciTegic07110717422D 21 24 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 C 0 0 4.9314 -0.9035 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5863 -3.7387 0.0000 C 0 0 2.5663 -5.2583 0.0000 C 0 0 3.8702 -6.0079 0.0000 C 0 0 5.1714 -5.2717 0.0000 C 0 0 5.2004 -3.7680 0.0000 C 0 0 6.2684 -6.2849 0.0000 C 0 0 5.6679 -7.6302 0.0000 C 0 0 4.1738 -7.4700 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03833928 > 6 $$$$ SciTegic07110717422D 21 24 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8911 -1.5017 0.0000 C 0 0 4.9314 -0.9035 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5863 -3.7387 0.0000 C 0 0 2.5663 -5.2583 0.0000 C 0 0 3.8702 -6.0079 0.0000 C 0 0 5.1714 -5.2717 0.0000 C 0 0 5.2004 -3.7680 0.0000 C 0 0 6.2684 -6.2849 0.0000 C 0 0 5.6679 -7.6302 0.0000 C 0 0 4.1738 -7.4700 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03833920 > 6 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 3.8942 -1.4964 0.0000 C 0 0 3.8963 -2.6964 0.0000 O 0 0 5.1929 -0.7441 0.0000 C 0 0 5.1791 0.7520 0.0000 C 0 0 6.4850 1.5292 0.0000 C 0 0 7.7861 0.7748 0.0000 C 0 0 7.7992 -0.7202 0.0000 C 0 0 6.5114 -1.4972 0.0000 C 0 0 9.2252 -1.1635 0.0000 C 0 0 10.0899 0.0291 0.0000 C 0 0 9.2042 1.2430 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 15 16 2 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03833919 > 6 $$$$ SciTegic07110717422D 22 24 0 0 0 0 999 V2000 -0.4343 11.3751 0.0000 C 0 0 -1.9021 11.0657 0.0000 C 0 0 -2.3680 9.6399 0.0000 C 0 0 -1.3661 8.5235 0.0000 C 0 0 0.1016 8.8329 0.0000 C 0 0 0.5675 10.2587 0.0000 C 0 0 1.1040 7.7159 0.0000 C 0 0 0.6387 6.2890 0.0000 C 0 0 -0.5354 6.0411 0.0000 O 0 0 1.6411 5.1720 0.0000 N 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.7388 7.3828 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 22 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC00162027 > 7 $$$$ SciTegic07110717422D 22 24 0 0 0 0 999 V2000 1.2925 -3.7494 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6764 -6.1158 0.0000 C 0 0 3.1379 -7.5431 0.0000 C 0 0 4.6379 -7.5452 0.0000 C 0 0 5.1035 -6.1193 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 9 1 0 3 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03833915 > 8 $$$$ SciTegic07110717422D 23 26 0 0 0 0 999 V2000 -11.3752 -3.0868 0.0000 C 0 0 -10.0698 -3.8256 0.0000 C 0 0 -8.7772 -3.0645 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03832027 > 9 $$$$ SciTegic07110717422D 23 26 0 0 0 0 999 V2000 -10.0698 -3.8256 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 3 0 0 0 -8.7772 -3.0645 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 2 0 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 3 0 0 0 0.2917 0.7475 0.0000 C 0 0 3 0 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -10.0955 -0.8258 0.0000 N 0 0 1 5 1 0 1 2 1 0 2 3 1 0 3 23 1 0 4 5 1 0 4 6 1 4 4 23 1 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 12 1 0 10 11 1 0 12 13 2 0 14 12 1 1 14 19 1 0 14 15 1 0 15 16 1 0 17 16 1 4 17 22 1 0 17 18 1 0 18 19 1 4 18 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03833923 > 9 $$$$ SciTegic07110717422D 24 27 0 0 0 0 999 V2000 -8.7772 -3.0645 0.0000 C 0 0 -10.0698 -3.8256 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -12.4092 -3.6957 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03832030 > 9 $$$$ SciTegic07110717422D 24 27 0 0 0 0 999 V2000 -8.7772 -3.0645 0.0000 C 0 0 -10.0698 -3.8256 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -12.4092 -3.6957 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03832029 > 9 $$$$ SciTegic07110717422D 24 27 0 0 0 0 999 V2000 -10.0698 -3.8256 0.0000 C 0 0 -8.7772 -3.0645 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -12.4324 -0.9958 0.0000 Cl 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 14 1 0 12 13 1 0 14 15 2 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832033 > 9 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -7.4619 -5.3073 0.0000 C 0 0 -7.4726 -3.8065 0.0000 O 0 0 -8.7772 -3.0645 0.0000 C 0 0 -10.0698 -3.8256 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 15 16 2 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832028 > 9 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -7.4711 -3.8038 0.0000 C 0 0 -8.7772 -3.0645 0.0000 C 0 0 -10.0698 -3.8256 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -11.3881 -1.5869 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -12.4324 -0.9958 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 25 1 0 6 7 1 0 7 8 1 0 8 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 14 1 0 12 13 1 0 14 15 2 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832031 > 9 $$$$ SciTegic07110717422D 27 30 0 0 0 0 999 V2000 -11.3881 -1.5869 0.0000 C 0 0 -11.3752 -3.0868 0.0000 C 0 0 -10.0698 -3.8256 0.0000 C 0 0 -8.7772 -3.0645 0.0000 C 0 0 -8.7900 -1.5645 0.0000 C 0 0 -10.0955 -0.8258 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -10.0569 -5.3264 0.0000 C 0 0 1 0 0 0 -11.0905 -5.9360 0.0000 F 0 0 -9.0123 -5.9171 0.0000 F 0 0 -10.0460 -6.5264 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 24 25 1 6 24 26 1 0 24 27 1 0 M END > ZINC03832034 > 9 $$$$ SciTegic07110717422D 28 31 0 0 0 0 999 V2000 -12.6629 0.7400 0.0000 C 0 0 -11.1757 0.9420 0.0000 C 0 0 -10.2564 -0.2443 0.0000 C 0 0 -8.7693 -0.0423 0.0000 C 0 0 -8.7223 1.1568 0.0000 O 0 0 -7.4980 -0.8010 0.0000 C 0 0 1 0 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -7.9559 -2.2092 0.0000 C 0 0 -6.9525 -3.3241 0.0000 C 0 0 -7.4163 -4.7506 0.0000 C 0 0 -8.8836 -5.0621 0.0000 C 0 0 -9.8871 -3.9472 0.0000 C 0 0 -9.4232 -2.5207 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 6 4 1 1 6 11 1 0 6 7 1 0 6 23 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 12 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 22 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03833917 > 9 $$$$ SciTegic07110717422D 23 25 0 0 0 0 999 V2000 3.9026 0.7500 0.0000 C 0 0 3.8990 -0.7508 0.0000 N 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1988 -1.5012 0.0000 C 0 0 5.1984 -2.7012 0.0000 O 0 0 6.4990 -0.7516 0.0000 C 0 0 6.4970 0.7484 0.0000 C 0 0 7.7950 1.5002 0.0000 C 0 0 9.0950 0.7521 0.0000 C 0 0 9.0971 -0.7479 0.0000 C 0 0 7.7992 -1.4998 0.0000 C 0 0 10.3937 1.5043 0.0000 C 0 0 10.3893 3.0043 0.0000 C 0 0 11.6861 3.7582 0.0000 C 0 0 12.9874 3.0121 0.0000 C 0 0 12.9918 1.5121 0.0000 C 0 0 11.6951 0.7582 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 10 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 10 11 2 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03833914 > 10 $$$$ SciTegic07110717422D 24 27 0 0 0 0 999 V2000 1.5962 7.0764 0.0000 C 0 0 2.0196 8.5163 0.0000 C 0 0 1 0 0 0 0.9840 9.6025 0.0000 C 0 0 3.4882 8.8598 0.0000 C 0 0 1 0 0 0 5.5655 8.3654 0.0000 C 0 0 1 0 0 0 4.3137 8.1502 0.0000 C 0 0 3.8747 6.8059 0.0000 C 0 0 2 0 0 0 4.7501 5.8309 0.0000 C 0 0 6.0451 6.1048 0.0000 C 0 0 2 0 0 0 6.4525 7.3825 0.0000 C 0 0 6.0959 4.6048 0.0000 N 0 0 4.8228 3.8100 0.0000 C 0 0 3.7637 4.3741 0.0000 O 0 0 4.8736 2.3100 0.0000 C 0 0 3.6005 1.5152 0.0000 C 0 0 3.6514 0.0175 0.0000 C 0 0 4.8791 -0.7968 0.0000 C 0 0 4.4745 -2.2440 0.0000 N 0 0 2.9823 -2.3020 0.0000 C 0 0 2.4710 -0.8972 0.0000 C 0 0 0.9927 -0.6203 0.0000 C 0 0 0.0210 -1.7889 0.0000 C 0 0 0.5324 -3.1937 0.0000 C 0 0 2.0278 -3.4643 0.0000 C 0 0 2 1 1 1 2 3 1 0 4 2 1 1 4 7 1 0 4 5 1 0 5 10 1 6 5 6 1 0 7 6 1 1 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 6 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 20 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03833913 > 11 $$$$ SciTegic07110717422D 24 27 0 0 0 0 999 V2000 -11.9791 -3.8537 0.0000 C 0 0 -12.4360 -2.4250 0.0000 C 0 0 -11.4272 -1.3150 0.0000 C 0 0 -9.9615 -1.6336 0.0000 C 0 0 -9.5045 -3.0623 0.0000 C 0 0 -10.5133 -4.1724 0.0000 C 0 0 -8.9521 -0.5229 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -7.4980 -0.8010 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 24 1 0 8 9 1 0 8 24 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 12 24 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 M CHG 1 24 1 M END > ZINC03833921 > 12 $$$$ SciTegic07110717422D 26 29 0 0 0 0 999 V2000 -9.5065 -3.0630 0.0000 C 0 0 -10.5168 -4.1717 0.0000 C 0 0 -11.9822 -3.8511 0.0000 C 0 0 -12.4372 -2.4217 0.0000 C 0 0 -11.4269 -1.3130 0.0000 C 0 0 -9.9615 -1.6335 0.0000 C 0 0 -8.9521 -0.5228 0.0000 C 0 0 -9.3180 0.6200 0.0000 O 0 0 -7.4980 -0.8010 0.0000 C 0 0 2 0 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -12.7904 -4.7380 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 9 7 1 6 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 15 16 2 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03833929 > 12 $$$$ SciTegic07110717422D 26 29 0 0 0 0 999 V2000 -9.5065 -3.0630 0.0000 C 0 0 -10.5168 -4.1717 0.0000 C 0 0 -11.9822 -3.8511 0.0000 C 0 0 -12.4372 -2.4217 0.0000 C 0 0 -11.4269 -1.3130 0.0000 C 0 0 -9.9615 -1.6335 0.0000 C 0 0 -8.9521 -0.5228 0.0000 C 0 0 -9.3180 0.6200 0.0000 O 0 0 -7.4980 -0.8010 0.0000 C 0 0 2 0 0 0 -7.5133 0.6990 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9153 0.7255 0.0000 N 0 0 -4.9001 -0.7745 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -12.7904 -4.7380 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 9 7 1 6 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 15 16 2 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03833925 > 12 $$$$ SciTegic07110717422D 24 27 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 4.8401 1.3141 0.0000 C 0 0 6.3008 0.9730 0.0000 N 0 0 6.4277 -0.5216 0.0000 N 0 0 5.0454 -1.1042 0.0000 C 0 0 7.7121 -1.2979 0.0000 C 0 0 8.9665 -0.4723 0.0000 N 0 0 10.3050 -1.1493 0.0000 C 0 0 10.3880 -2.6470 0.0000 C 0 0 9.1324 -3.4677 0.0000 C 0 0 7.7939 -2.7907 0.0000 N 0 0 9.2154 -4.9662 0.0000 C 0 0 1 0 0 0 10.2858 -5.5085 0.0000 F 0 0 8.2107 -5.6224 0.0000 F 0 0 9.2811 -6.1644 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 14 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 1 21 23 1 0 21 24 1 0 M END > ZINC03815670 > 13 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1783 2.6281 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 0.6387 6.2890 0.0000 C 0 0 -0.5354 6.0411 0.0000 O 0 0 1.1040 7.7159 0.0000 N 0 0 0.1016 8.8329 0.0000 C 0 0 0.5669 10.2598 0.0000 C 0 0 -0.4467 11.3904 0.0000 C 0 0 0.0422 12.8128 0.0000 C 0 0 2 0 0 0 1.5065 13.1144 0.0000 C 0 0 1 0 0 0 2.5176 12.0010 0.0000 C 0 0 2.0324 10.5608 0.0000 C 0 0 1.6660 14.5992 0.0000 O 0 0 0.2930 15.2099 0.0000 C 0 0 -0.6912 14.1137 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 22 1 0 17 18 2 0 19 18 1 1 19 25 1 0 19 20 1 0 20 21 1 6 20 23 1 0 21 22 2 0 23 24 1 0 24 25 1 0 M END > ZINC03833911 > 14 $$$$ SciTegic07110717422D 25 26 0 0 0 0 999 V2000 10.6330 -7.7080 0.0000 C 0 0 9.9806 -6.3564 0.0000 C 0 0 8.4839 -6.2447 0.0000 O 0 0 7.8315 -4.8931 0.0000 C 0 0 8.5069 -3.9012 0.0000 O 0 0 6.3349 -4.7814 0.0000 C 0 0 5.6824 -3.4298 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 3 4.9531 -1.9978 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 -2.5973 1.5031 0.0000 N 0 3 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 5.4876 -6.0202 0.0000 C 0 0 6.1360 -7.3737 0.0000 C 0 0 7.6323 -7.4900 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 1 0 23 24 2 0 24 25 1 0 M CHG 3 8 1 20 1 22 -1 M END > ZINC03833932 > 15 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 5.2430 -0.8758 0.0000 C 0 0 6.2485 -1.9889 0.0000 N 0 0 5.5005 -3.2891 0.0000 N 0 0 4.0328 -2.9796 0.0000 C 0 0 6.1131 -4.6592 0.0000 C 0 0 7.6144 -4.6962 0.0000 N 0 0 8.3280 -6.0156 0.0000 C 0 0 7.5422 -7.2932 0.0000 C 0 0 6.0428 -7.2515 0.0000 C 0 0 5.3292 -5.9321 0.0000 N 0 0 5.2565 -8.5299 0.0000 C 0 0 1 0 0 0 5.8267 -9.5858 0.0000 F 0 0 4.0570 -8.4962 0.0000 F 0 0 4.6274 -9.5518 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03832023 > 16 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 5.2430 -0.8758 0.0000 C 0 0 6.2485 -1.9889 0.0000 N 0 0 5.5005 -3.2891 0.0000 N 0 0 4.0328 -2.9796 0.0000 C 0 0 6.1131 -4.6592 0.0000 C 0 0 7.6144 -4.6962 0.0000 N 0 0 8.3280 -6.0156 0.0000 C 0 0 7.5422 -7.2932 0.0000 C 0 0 6.0428 -7.2515 0.0000 C 0 0 5.3292 -5.9321 0.0000 N 0 0 5.2565 -8.5299 0.0000 C 0 0 1 0 0 0 5.8267 -9.5858 0.0000 F 0 0 4.0570 -8.4962 0.0000 F 0 0 4.6274 -9.5518 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03833901 > 16 $$$$ SciTegic07110717422D 25 28 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2964 2.9980 0.0000 C 0 0 0.0815 3.8559 0.0000 C 0 0 0.5427 5.2832 0.0000 N 0 0 2.0427 5.2857 0.0000 N 0 0 2.5085 3.8599 0.0000 C 0 0 2.9228 6.5013 0.0000 C 0 0 2.2041 7.8199 0.0000 N 0 0 2.9899 9.0976 0.0000 C 0 0 4.4893 9.0560 0.0000 C 0 0 5.2030 7.7366 0.0000 C 0 0 4.4172 6.4589 0.0000 N 0 0 6.7032 7.6950 0.0000 C 0 0 1 0 0 0 7.3325 8.7168 0.0000 F 0 0 7.2738 6.6393 0.0000 F 0 0 7.9027 7.6611 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03832025 > 17 $$$$ SciTegic07110717422D 26 29 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1783 2.6281 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 0.6387 6.2890 0.0000 C 0 0 -0.5354 6.0411 0.0000 O 0 0 1.1040 7.7159 0.0000 N 0 0 0.1016 8.8329 0.0000 C 0 0 -1.3656 8.5205 0.0000 C 0 0 -2.3697 9.6349 0.0000 C 0 0 -1.9067 11.0616 0.0000 C 0 0 -0.4396 11.3740 0.0000 C 0 0 0.5645 10.2597 0.0000 C 0 0 -2.9113 12.1765 0.0000 N 0 0 -4.3881 12.0006 0.0000 C 0 0 -5.0009 13.3698 0.0000 C 0 0 -3.8881 14.3756 0.0000 C 0 0 -2.5876 13.6282 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 26 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M END > ZINC03832026 > 18 $$$$ SciTegic07110717422D 27 30 0 0 0 0 999 V2000 -7.9209 6.6819 0.0000 C 0 0 -8.4357 5.2730 0.0000 C 0 0 -7.4730 4.1227 0.0000 C 0 0 -5.9955 4.3813 0.0000 C 0 0 -5.4807 5.7902 0.0000 C 0 0 -6.4434 6.9405 0.0000 C 0 0 -5.4839 2.9704 0.0000 C 0 0 -5.1507 1.1124 0.0000 C 0 0 -5.1514 -0.3877 0.0000 C 0 0 -6.4508 -1.1370 0.0000 N 0 0 -7.7495 -0.3864 0.0000 C 0 0 -7.7488 1.1136 0.0000 C 0 0 -6.4546 -2.6379 0.0000 C 0 0 -5.4167 -3.2402 0.0000 O 0 0 -7.7557 -3.3858 0.0000 C 0 0 -8.7155 -2.2330 0.0000 C 0 0 -10.1937 -2.4876 0.0000 C 0 0 -10.7123 -3.8951 0.0000 C 0 0 -9.7526 -5.0480 0.0000 C 0 0 -8.2744 -4.7933 0.0000 C 0 0 -12.1913 -4.1499 0.0000 C 0 0 -13.1492 -2.9956 0.0000 C 0 0 -14.6278 -3.2479 0.0000 C 0 0 -15.1486 -4.6546 0.0000 C 0 0 -14.1908 -5.8090 0.0000 C 0 0 -12.7122 -5.5566 0.0000 C 0 0 -6.4494 1.8213 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 12 27 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03833918 > 19 $$$$ SciTegic07110717422D 27 29 0 0 0 0 999 V2000 -4.8371 10.4439 0.0000 C 0 0 -4.3730 11.8711 0.0000 O 0 0 -2.9051 12.1837 0.0000 C 0 0 -1.9033 11.0674 0.0000 C 0 0 -0.4355 11.3768 0.0000 C 0 0 0.0304 12.8026 0.0000 C 0 0 -0.9714 13.9190 0.0000 C 0 0 -2.4392 13.6096 0.0000 C 0 0 -0.5082 15.3465 0.0000 O 0 0 -1.5122 16.4621 0.0000 C 0 0 0.5669 10.2598 0.0000 C 0 0 0.1016 8.8329 0.0000 C 0 0 1.1040 7.7159 0.0000 N 0 0 0.6387 6.2890 0.0000 C 0 0 -0.5354 6.0411 0.0000 O 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03833910 > 20 $$$$ SciTegic07110717422D 27 31 0 0 0 0 999 V2000 -8.5054 -4.0692 0.0000 C 0 0 -9.5017 -5.2169 0.0000 C 0 0 -8.9897 -6.6310 0.0000 C 0 0 -7.5207 -6.9087 0.0000 C 0 0 -6.5278 -5.7790 0.0000 C 0 0 -7.0364 -4.3469 0.0000 C 0 0 -6.5152 -2.9395 0.0000 C 0 0 -6.1694 -1.0838 0.0000 C 0 0 -6.1599 0.4162 0.0000 C 0 0 -7.4542 1.1743 0.0000 N 0 0 -8.7579 0.4325 0.0000 C 0 0 -8.7674 -1.0674 0.0000 C 0 0 -7.4478 2.6752 0.0000 C 0 0 -6.4058 3.2704 0.0000 O 0 0 -8.7439 3.4319 0.0000 C 0 0 -9.7023 2.2829 0.0000 C 0 0 -11.2007 2.5365 0.0000 C 0 0 -11.7035 3.9540 0.0000 C 0 0 -10.7453 5.1015 0.0000 C 0 0 -9.2609 4.8596 0.0000 C 0 0 -11.5448 6.3629 0.0000 C 0 0 -12.9761 6.0141 0.0000 C 0 0 -13.0873 4.5156 0.0000 N 0 0 -7.3370 -8.3907 0.0000 O 0 0 -8.6998 -9.0237 0.0000 C 0 0 -9.7017 -7.9437 0.0000 O 0 0 -7.4728 -1.7839 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 26 1 0 3 4 1 0 4 5 2 0 4 24 1 0 5 6 1 0 6 7 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 1 0 10 11 1 0 10 13 1 0 11 12 1 0 12 27 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03833927 > 21 $$$$ SciTegic07110717422D 30 34 0 0 0 0 999 V2000 -14.3361 -0.6243 0.0000 C 0 0 -13.7678 0.7639 0.0000 C 0 0 -12.2814 0.9659 0.0000 C 0 0 -11.3634 -0.2204 0.0000 C 0 0 -11.9317 -1.6086 0.0000 C 0 0 -13.4180 -1.8105 0.0000 C 0 0 -9.8968 -0.5392 0.0000 C 0 0 2 0 0 0 -8.8878 0.5718 0.0000 C 0 0 -10.1565 1.3721 0.0000 C 0 0 -10.0977 2.8710 0.0000 C 0 0 -8.7703 3.5695 0.0000 C 0 0 -7.5017 2.7692 0.0000 C 0 0 -7.5604 1.2703 0.0000 C 0 0 -8.1193 -1.1743 0.0000 C 0 0 -6.8127 -1.9111 0.0000 C 0 0 -6.7973 -3.4110 0.0000 N 0 0 -8.0888 -4.1742 0.0000 C 0 0 -9.3954 -3.4374 0.0000 C 0 0 -5.4915 -4.1507 0.0000 C 0 0 -4.4574 -3.5419 0.0000 O 0 0 -5.4783 -5.6515 0.0000 C 0 0 -6.7730 -6.3990 0.0000 C 0 0 -6.7798 -7.9187 0.0000 C 0 0 -5.4695 -8.6569 0.0000 C 0 0 -4.1747 -7.9094 0.0000 C 0 0 -4.1588 -6.4055 0.0000 C 0 0 -3.0690 -8.9130 0.0000 C 0 0 -3.6577 -10.2635 0.0000 C 0 0 -5.1532 -10.1163 0.0000 N 0 0 -9.4106 -1.9375 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 7 4 1 6 5 6 1 0 7 8 1 0 7 30 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 14 15 1 0 14 30 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 1 0 18 30 1 0 19 20 2 0 19 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03833922 > 22 $$$$ SciTegic07110717422D 30 35 0 0 0 0 999 V2000 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 1 0 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 -0.9779 -2.4311 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 13 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 30 1 1 14 15 1 0 14 30 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 1 0 18 30 1 0 19 20 2 0 19 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03833947 > 23 $$$$ SciTegic07110717422D 32 37 0 0 0 0 999 V2000 -6.3014 -0.5998 0.0000 C 0 0 -5.0029 -1.3524 0.0000 O 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 2 0 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 -0.9779 -2.4311 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 32 1 6 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 16 32 1 0 17 18 1 0 18 19 1 0 18 21 1 0 19 20 1 0 20 32 1 0 21 22 2 0 21 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 31 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03833899 > 23 $$$$ SciTegic07110717422D 32 37 0 0 0 0 999 V2000 -3.8372 3.7640 0.0000 C 0 0 -2.5225 3.0401 0.0000 O 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 2 0 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 -0.9779 -2.4311 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 15 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 32 1 6 16 17 1 0 16 32 1 0 17 18 1 0 18 19 1 0 18 21 1 0 19 20 1 0 20 32 1 0 21 22 2 0 21 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 31 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03591551 > 23 $$$$ SciTegic07110717422D 33 38 0 0 0 0 999 V2000 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 2 0 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 5.0387 1.5727 0.0000 N 0 3 6.0772 0.9715 0.0000 O 0 0 5.0406 2.7727 0.0000 O 0 5 -0.9779 -2.4311 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 13 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 30 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 33 1 6 14 15 1 0 14 33 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 1 0 18 33 1 0 19 20 2 0 19 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 30 31 2 0 30 32 1 0 M CHG 3 30 1 32 -1 33 1 M END > ZINC03833949 > 23 $$$$ SciTegic07110717422D 33 38 0 0 0 0 999 V2000 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 1 0 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 5.0356 -1.3582 0.0000 N 0 3 5.0337 -2.5582 0.0000 O 0 0 6.0760 -0.7603 0.0000 O 0 5 -0.9779 -2.4311 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 13 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 30 1 0 11 12 1 0 12 13 1 0 13 33 1 1 14 15 1 0 14 33 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 1 0 18 33 1 0 19 20 2 0 19 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 30 31 2 0 30 32 1 0 M CHG 3 30 1 32 -1 33 1 M END > ZINC03833948 > 23 $$$$ SciTegic07110717422D 33 38 0 0 0 0 999 V2000 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 1 0 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 5.0356 -1.3582 0.0000 N 0 0 5.0332 -2.8591 0.0000 C 0 0 6.0711 -3.4614 0.0000 O 0 0 -0.9779 -2.4311 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 13 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 30 1 0 11 12 1 0 12 13 1 0 13 33 1 1 14 15 1 0 14 33 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 1 0 18 33 1 0 19 20 2 0 19 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 30 31 1 0 31 32 2 0 M CHG 1 33 1 M END > ZINC03591568 > 23 $$$$ SciTegic07110717422D 33 38 0 0 0 0 999 V2000 -6.3014 -0.5998 0.0000 C 0 0 -5.0029 -1.3524 0.0000 N 0 0 -5.0028 -2.8532 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 0.0000 -1.3190 0.0000 C 0 0 2 0 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 0.4818 -2.6677 0.0000 C 0 0 0.9785 -4.0831 0.0000 C 0 0 0.0011 -5.2209 0.0000 N 0 0 -1.4730 -4.9434 0.0000 C 0 0 -1.9697 -3.5280 0.0000 C 0 0 0.4952 -6.6381 0.0000 C 0 0 1.6740 -6.8622 0.0000 O 0 0 -0.4844 -7.7752 0.0000 C 0 0 -1.9522 -7.4848 0.0000 C 0 0 -2.9576 -8.6244 0.0000 C 0 0 -2.4569 -10.0426 0.0000 C 0 0 -0.9902 -10.3320 0.0000 C 0 0 0.0117 -9.2103 0.0000 C 0 0 -0.8183 -11.8155 0.0000 C 0 0 -2.1504 -12.4446 0.0000 C 0 0 -3.1794 -11.3496 0.0000 N 0 0 -0.9779 -2.4311 0.0000 N 0 3 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 33 1 6 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 17 33 1 0 18 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 21 33 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 32 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 M CHG 1 33 1 M END > ZINC03591572 > 23 $$$$