SciTegic07110717402D 22 24 0 0 0 0 999 V2000 6.4433 -1.8436 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 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 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 4.2568 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 6 2 0 3 15 1 0 3 4 2 0 4 7 1 0 4 5 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 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 22 1 0 M END > ZINC00239698 > 1 $$$$ SciTegic07110717402D 22 24 0 0 0 0 999 V2000 6.4433 -1.8436 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 4.2568 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 6 1 0 3 15 1 0 3 4 1 0 4 7 1 0 4 5 2 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 1 0 M END > ZINC04312704 > 1 $$$$ SciTegic07110717402D 23 25 0 0 0 0 999 V2000 6.4433 -1.8435 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 -1.2799 1.5579 0.0000 Cl 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 15 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC04617888 > 1 $$$$ SciTegic07110717402D 23 25 0 0 0 0 999 V2000 6.4433 -1.8435 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 -1.2799 1.5579 0.0000 Br 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 15 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC04617887 > 1 $$$$ SciTegic07110717402D 25 27 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.2637 1.8996 0.0000 C 0 0 -3.7458 1.7759 0.0000 C 0 0 -4.3099 3.1658 0.0000 N 0 0 -3.1624 4.1318 0.0000 N 0 0 -1.8891 3.3390 0.0000 C 0 0 -0.4978 3.8946 0.0000 C 0 0 -0.3252 5.0822 0.0000 O 0 0 -4.9214 0.8431 0.0000 C 0 0 -6.2677 1.5088 0.0000 C 0 0 -7.5130 0.6727 0.0000 C 0 0 -7.4116 -0.8239 0.0000 C 0 0 -6.0648 -1.4843 0.0000 C 0 0 -4.8195 -0.6482 0.0000 C 0 0 -3.4724 -1.3101 0.0000 O 0 0 -8.6559 -1.6630 0.0000 O 0 0 -8.5904 1.2011 0.0000 Cl 0 0 0.4446 3.1517 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 25 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 19 23 1 0 20 21 1 0 21 22 1 0 M CHG 1 25 -1 M END > ZINC04617889 > 1 $$$$ SciTegic07110717402D 25 27 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.2637 1.8996 0.0000 C 0 0 -3.7458 1.7759 0.0000 C 0 0 -4.3099 3.1658 0.0000 N 0 0 -3.1624 4.1318 0.0000 N 0 0 -1.8891 3.3390 0.0000 C 0 0 -0.4978 3.8946 0.0000 C 0 0 0.4446 3.1517 0.0000 O 0 0 -0.2819 5.3799 0.0000 N 0 0 -4.9214 0.8431 0.0000 C 0 0 -6.2677 1.5088 0.0000 C 0 0 -7.5130 0.6727 0.0000 C 0 0 -7.4116 -0.8239 0.0000 C 0 0 -6.0648 -1.4843 0.0000 C 0 0 -4.8195 -0.6482 0.0000 C 0 0 -3.4724 -1.3101 0.0000 O 0 0 -8.6559 -1.6630 0.0000 O 0 0 -8.5904 1.2011 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 2 0 9 10 1 0 10 11 2 0 10 17 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 25 1 0 20 21 2 0 20 24 1 0 21 22 1 0 22 23 1 0 M END > ZINC04617890 > 1 $$$$ SciTegic07110717402D 26 28 0 0 0 0 999 V2000 8.8191 -2.8960 0.0000 C 0 0 7.3266 -3.0536 0.0000 N 0 0 6.4430 -1.8404 0.0000 C 0 0 6.9302 -0.7438 0.0000 O 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 -1.2799 1.5579 0.0000 Cl 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 6 19 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 26 1 0 M END > ZINC04617891 > 1 $$$$ SciTegic07110717402D 27 29 0 0 0 0 999 V2000 9.7026 -4.1092 0.0000 C 0 0 8.8191 -2.8960 0.0000 C 0 0 7.3266 -3.0536 0.0000 N 0 0 6.4430 -1.8404 0.0000 C 0 0 6.9302 -0.7438 0.0000 O 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 -1.2799 1.5579 0.0000 Cl 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 10 1 0 6 7 2 0 7 8 1 0 7 20 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 19 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 26 1 0 24 25 1 0 26 27 1 0 M END > ZINC04617893 > 1 $$$$ SciTegic07110717402D 27 29 0 0 0 0 999 V2000 9.7026 -4.1092 0.0000 C 0 0 8.8191 -2.8960 0.0000 C 0 0 7.3266 -3.0536 0.0000 N 0 0 6.4430 -1.8404 0.0000 C 0 0 6.9302 -0.7438 0.0000 O 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 -1.2799 1.5579 0.0000 Br 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 10 1 0 6 7 2 0 7 8 1 0 7 20 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 19 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 26 1 0 24 25 1 0 26 27 1 0 M END > ZINC04617892 > 1 $$$$ SciTegic07110717402D 28 30 0 0 0 0 999 V2000 9.7026 -4.1092 0.0000 C 0 0 8.8191 -2.8960 0.0000 C 0 0 1 0 0 0 9.4284 -1.5245 0.0000 C 0 0 7.3266 -3.0536 0.0000 N 0 0 6.4430 -1.8404 0.0000 C 0 0 6.9302 -0.7438 0.0000 O 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 1.1208 -1.2398 0.0000 C 0 0 0.6077 0.1698 0.0000 C 0 0 -0.8695 0.4302 0.0000 C 0 0 -1.8336 -0.7188 0.0000 C 0 0 -1.3206 -2.1284 0.0000 C 0 0 0.1566 -2.3888 0.0000 C 0 0 0.6670 -3.8002 0.0000 O 0 0 -3.3122 -0.4613 0.0000 O 0 0 -1.2799 1.5579 0.0000 Cl 0 0 4.2567 0.5878 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 5.5203 4.9041 0.0000 O 0 0 4.4820 5.9877 0.0000 C 0 0 2 1 1 6 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 21 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 20 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 27 28 1 0 M END > ZINC04617894 > 1 $$$$ SciTegic07110717402D 22 24 0 0 0 0 999 V2000 4.7722 6.5407 0.0000 C 0 0 4.0340 5.2340 0.0000 O 0 0 4.7957 3.9408 0.0000 C 0 0 6.2956 3.9569 0.0000 C 0 0 7.0595 2.6660 0.0000 C 0 0 6.3235 1.3590 0.0000 C 0 0 4.8236 1.3429 0.0000 C 0 0 4.0597 2.6338 0.0000 C 0 0 4.0872 0.0351 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 F 0 0 -0.9971 3.0138 0.0000 N 0 0 7.0852 0.0658 0.0000 O 0 0 6.3469 -1.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 21 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 1 0 12 18 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 21 22 1 0 M END > ZINC03833893 > 2 $$$$ SciTegic07110717402D 23 25 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1183 -2.5635 0.0000 C 0 0 4.8836 -3.8536 0.0000 C 0 0 6.3835 -3.8359 0.0000 C 0 0 7.1181 -2.5281 0.0000 C 0 0 6.3528 -1.2380 0.0000 C 0 0 8.6188 -2.5073 0.0000 O 0 0 9.3519 -1.1977 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03832016 > 2 $$$$ SciTegic07110717402D 23 25 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1183 -2.5635 0.0000 C 0 0 4.8836 -3.8536 0.0000 C 0 0 6.3835 -3.8359 0.0000 C 0 0 7.1181 -2.5281 0.0000 C 0 0 6.3528 -1.2380 0.0000 C 0 0 7.1518 -5.1251 0.0000 O 0 0 8.6525 -5.1053 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC03832014 > 2 $$$$ SciTegic07110717402D 25 27 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1183 -2.5635 0.0000 C 0 0 4.8836 -3.8536 0.0000 C 0 0 6.3835 -3.8359 0.0000 C 0 0 7.1181 -2.5281 0.0000 C 0 0 6.3528 -1.2380 0.0000 C 0 0 7.0905 0.0690 0.0000 O 0 0 8.5913 0.0846 0.0000 C 0 0 4.1512 -5.1636 0.0000 O 0 0 4.9188 -6.4533 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03832018 > 2 $$$$ SciTegic07110717402D 27 29 0 0 0 0 999 V2000 9.2956 3.9929 0.0000 C 0 0 8.5608 2.6843 0.0000 O 0 0 7.0601 2.6654 0.0000 C 0 0 6.2964 3.9565 0.0000 C 0 0 4.7965 3.9406 0.0000 C 0 0 4.0602 2.6338 0.0000 C 0 0 4.8239 1.3427 0.0000 C 0 0 6.3238 1.3585 0.0000 C 0 0 4.0872 0.0351 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.6516 -2.9334 0.0000 C 0 0 4.1211 -4.3589 0.0000 C 0 0 5.5902 -4.6660 0.0000 C 0 0 7.0593 -4.9730 0.0000 C 0 0 -3.3560 -1.3452 0.0000 F 0 0 -0.9971 3.0138 0.0000 N 0 0 2.5595 2.6149 0.0000 O 0 0 1.7920 3.9046 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 26 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 25 1 0 14 15 1 0 15 16 2 0 15 24 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 3 0 26 27 1 0 M END > ZINC03833894 > 2 $$$$ SciTegic07110717402D 27 29 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1183 -2.5635 0.0000 C 0 0 4.8836 -3.8536 0.0000 C 0 0 6.3835 -3.8359 0.0000 C 0 0 7.1181 -2.5281 0.0000 C 0 0 6.3528 -1.2380 0.0000 C 0 0 8.6188 -2.5073 0.0000 O 0 0 9.3519 -1.1977 0.0000 C 0 0 7.1518 -5.1251 0.0000 O 0 0 8.6525 -5.1053 0.0000 C 0 0 4.1512 -5.1636 0.0000 O 0 0 4.9188 -6.4533 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 26 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 26 27 1 0 M END > ZINC03832013 > 2 $$$$ SciTegic07110717402D 28 30 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1183 -2.5635 0.0000 C 0 0 4.8836 -3.8536 0.0000 C 0 0 6.3835 -3.8359 0.0000 C 0 0 7.1181 -2.5281 0.0000 C 0 0 6.3528 -1.2380 0.0000 C 0 0 6.9405 -0.1917 0.0000 Cl 0 0 8.6188 -2.5073 0.0000 O 0 0 9.3519 -1.1977 0.0000 C 0 0 7.1518 -5.1251 0.0000 O 0 0 8.6525 -5.1053 0.0000 C 0 0 4.1512 -5.1636 0.0000 O 0 0 4.9188 -6.4533 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 27 1 0 19 20 2 0 19 25 1 0 20 21 1 0 20 23 1 0 21 22 1 0 23 24 1 0 25 26 1 0 27 28 1 0 M END > ZINC03832020 > 2 $$$$ SciTegic07110717402D 29 31 0 0 0 0 999 V2000 9.3519 -1.1977 0.0000 C 0 0 8.6188 -2.5073 0.0000 O 0 0 7.1181 -2.5281 0.0000 C 0 0 6.3528 -1.2380 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1183 -2.5635 0.0000 C 0 0 4.8836 -3.8536 0.0000 C 0 0 6.3835 -3.8359 0.0000 C 0 0 7.1465 -5.1283 0.0000 O 0 0 6.4096 -6.4357 0.0000 C 0 0 4.1512 -5.1636 0.0000 O 0 0 2.6506 -5.1854 0.0000 C 0 0 2.9184 -2.5776 0.0000 Cl 0 0 4.0872 0.0351 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 2 0 0 0 -1.0028 -1.5132 0.0000 C 0 0 1 0 0 0 -2.3155 0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2 0 0 0 1.7138 1.2033 0.0000 N 0 0 2.1783 2.6281 0.0000 C 0 0 3.6464 2.9395 0.0000 C 0 0 4.1117 4.3664 0.0000 C 0 0 5.5798 4.6779 0.0000 C 0 0 7.0480 4.9893 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 3 -1.0028 1.5132 0.0000 N 0 3 -2.3005 -2.2267 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 14 15 1 0 15 21 1 0 15 16 2 0 17 16 1 6 17 20 1 0 17 18 1 0 18 27 1 0 18 29 1 6 19 27 1 0 19 28 1 0 20 21 1 0 20 28 1 1 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 3 0 M CHG 3 27 1 28 1 29 1 M END > ZINC03833892 > 2 $$$$ SciTegic07110717402D 24 27 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1126 -2.5559 0.0000 C 0 0 4.8752 -3.8704 0.0000 C 0 0 6.3790 -3.8446 0.0000 C 0 0 7.1180 -2.5451 0.0000 C 0 0 6.3713 -1.2395 0.0000 C 0 0 8.5795 -2.8518 0.0000 O 0 0 8.7544 -4.3146 0.0000 C 0 0 7.3898 -4.9438 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 15 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 M END > ZINC03832017 > 3 $$$$ SciTegic07110717402D 25 28 0 0 0 0 999 V2000 0.6387 6.2890 0.0000 C 0 0 1.6411 5.1720 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -3.3560 1.3452 0.0000 F 0 0 4.0872 0.0351 0.0000 C 0 0 4.8529 -1.2557 0.0000 C 0 0 4.1126 -2.5559 0.0000 C 0 0 4.8752 -3.8704 0.0000 C 0 0 6.3790 -3.8446 0.0000 C 0 0 7.1180 -2.5451 0.0000 C 0 0 6.3713 -1.2395 0.0000 C 0 0 8.5795 -2.8518 0.0000 O 0 0 8.7544 -4.3146 0.0000 C 0 0 7.3898 -4.9438 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 6 16 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03833895 > 3 $$$$ SciTegic07110717402D 24 27 0 0 0 0 999 V2000 -5.5741 -0.5747 0.0000 C 0 0 -5.2640 0.8910 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 -5.5014 3.3065 0.0000 N 0 0 -6.2601 2.0125 0.0000 N 0 0 -2.9083 3.9746 0.0000 C 0 0 -3.3227 5.4181 0.0000 C 0 0 -2.2774 6.4939 0.0000 C 0 0 -0.8231 6.1266 0.0000 C 0 0 -0.4140 4.6835 0.0000 C 0 0 -1.4593 3.6077 0.0000 C 0 0 -1.0488 2.1640 0.0000 O 0 0 0.2250 7.2009 0.0000 O 0 0 -2.9473 0.3504 0.0000 C 0 0 -3.4594 -1.0566 0.0000 C 0 0 -2.4801 -2.2098 0.0000 C 0 0 -1.0058 -1.9497 0.0000 C 0 0 -0.4937 -0.5427 0.0000 C 0 0 -1.4559 0.6042 0.0000 C 0 0 0.9806 -0.2826 0.0000 O 0 0 1.9428 -1.4295 0.0000 C 0 0 1.4307 -2.8365 0.0000 C 0 0 -0.0436 -3.0966 0.0000 O 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 15 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 24 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > ZINC00245648 > 4 $$$$ SciTegic07110717402D 25 28 0 0 0 0 999 V2000 -5.5741 -0.5747 0.0000 C 0 0 -5.2640 0.8910 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 -5.5014 3.3065 0.0000 N 0 0 -6.2601 2.0125 0.0000 N 0 0 -2.9083 3.9746 0.0000 C 0 0 -3.3227 5.4181 0.0000 C 0 0 -2.2774 6.4939 0.0000 C 0 0 -0.8231 6.1266 0.0000 C 0 0 -0.4140 4.6835 0.0000 C 0 0 -1.4593 3.6077 0.0000 C 0 0 -1.0488 2.1640 0.0000 O 0 0 0.2250 7.2009 0.0000 O 0 0 -2.6047 7.6485 0.0000 Cl 0 0 -2.9473 0.3504 0.0000 C 0 0 -3.4594 -1.0566 0.0000 C 0 0 -2.4801 -2.2098 0.0000 C 0 0 -1.0058 -1.9497 0.0000 C 0 0 -0.4937 -0.5427 0.0000 C 0 0 -1.4559 0.6042 0.0000 C 0 0 0.9806 -0.2826 0.0000 O 0 0 1.9428 -1.4295 0.0000 C 0 0 1.4307 -2.8365 0.0000 C 0 0 -0.0436 -3.0966 0.0000 O 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 15 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC04617886 > 4 $$$$ SciTegic07110717402D 26 29 0 0 0 0 999 V2000 -4.3748 -5.6286 0.0000 C 0 0 -3.9469 -4.1901 0.0000 C 0 0 -4.9781 -3.0996 0.0000 C 0 0 -4.5495 -1.6621 0.0000 C 0 0 -5.5772 -0.5767 0.0000 C 0 0 -7.0393 -0.9198 0.0000 C 0 0 -7.4679 -2.3573 0.0000 C 0 0 -6.4373 -3.4472 0.0000 C 0 0 -6.8691 -4.8846 0.0000 O 0 0 -8.0712 0.1699 0.0000 O 0 0 -5.7849 0.9097 0.0000 C 0 0 -4.7204 1.9482 0.0000 C 0 0 -5.3473 3.2969 0.0000 C 0 0 -6.8340 3.0982 0.0000 N 0 0 -7.1045 1.6228 0.0000 N 0 0 -4.6249 4.6094 0.0000 C 0 0 -3.2433 1.6832 0.0000 C 0 0 -2.7312 0.2762 0.0000 C 0 0 -1.2397 0.0224 0.0000 C 0 0 -0.2775 1.1693 0.0000 C 0 0 -0.7896 2.5762 0.0000 C 0 0 -2.2639 2.8363 0.0000 C 0 0 0.1726 3.7231 0.0000 O 0 0 1.6469 3.4630 0.0000 C 0 0 2.1590 2.0561 0.0000 C 0 0 1.1968 0.9092 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 11 15 2 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 13 16 1 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M END > ZINC00630526 > 4 $$$$