SciTegic07110717552D 20 21 0 0 0 0 999 V2000 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 -2.5972 -1.5031 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 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1.2999 2.2084 0.0000 C 0 0 -1.3002 2.2087 0.0000 C 0 0 -2.7502 0.4571 0.0000 C 0 0 -3.7708 1.5575 0.0000 C 0 0 -5.2333 1.2239 0.0000 C 0 0 -6.2533 2.3237 0.0000 C 0 0 -5.8109 3.7570 0.0000 C 0 0 -4.3485 4.0905 0.0000 C 0 0 -3.3284 2.9907 0.0000 C 0 0 -6.8293 4.8595 0.0000 N 0 3 -6.4738 6.0056 0.0000 O 0 0 -7.9997 4.5947 0.0000 O 0 5 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 11 1 6 7 8 1 0 7 9 1 6 7 10 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 15 18 1 0 16 17 1 0 18 19 2 0 18 20 1 0 M CHG 2 18 1 20 -1 M END > ZINC03833841 > 1 $$$$ SciTegic07110717552D 19 20 0 0 0 0 999 V2000 2.4227 -1.3974 0.0000 C 0 0 2.6859 0.0678 0.0000 C 0 0 2 0 0 0 3.1501 1.4942 0.0000 C 0 0 4.6501 1.4935 0.0000 C 0 0 5.1129 0.0667 0.0000 C 0 0 6.5257 -0.4317 0.0000 C 0 0 3.8990 -0.7508 0.0000 C 0 0 1 0 0 0 2.4212 -0.4893 0.0000 C 0 0 1.4550 -1.6377 0.0000 C 0 0 -0.0219 -1.3754 0.0000 C 0 0 -0.9875 -2.5232 0.0000 C 0 0 -0.4763 -3.9334 0.0000 C 0 0 1.0006 -4.1958 0.0000 C 0 0 1.9662 -3.0479 0.0000 C 0 0 3.4434 -3.3135 0.0000 O 0 0 -1.2488 -4.8517 0.0000 Br 0 0 -2.2879 -1.7738 0.0000 O 0 0 -3.5875 -2.5245 0.0000 C 0 0 1.5767 1.0612 0.0000 C 0 0 2 1 1 6 2 7 1 0 2 3 1 0 2 19 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 1 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 17 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 1 0 17 18 1 0 M END > ZINC03833840 > 2 $$$$ SciTegic07110717552D 23 26 0 0 0 0 999 V2000 5.7556 3.4012 0.0000 C 0 0 4.2761 3.6533 0.0000 C 0 0 3.8595 4.7786 0.0000 O 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5625 1.8067 0.0000 C 0 0 4.5625 0.3285 0.0000 C 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 -2.9731 -1.1442 0.0000 C 0 0 3.3451 1.0404 0.0000 C 0 0 1 2 1 0 2 3 2 0 4 2 1 1 4 8 1 0 4 5 1 0 5 6 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 23 1 1 9 10 1 0 11 10 1 1 11 21 1 0 11 12 1 0 12 13 1 6 13 14 1 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 M END > ZINC03814383 > 3 $$$$ SciTegic07110717552D 23 26 0 0 0 0 999 V2000 0.6410 -3.3908 0.0000 C 0 0 0.0800 -2.0200 0.0000 C 0 0 1 0 0 0 -0.4500 -0.5900 0.0000 C 0 0 0.4500 0.5900 0.0000 C 0 0 0.0000 2.0200 0.0000 C 0 0 -1.6100 2.2500 0.0000 C 0 0 -2.5700 1.0300 0.0000 C 0 0 -1.9900 -0.3700 0.0000 C 0 0 -2.9600 -1.5900 0.0000 C 0 0 -4.4900 -1.3800 0.0000 C 0 0 -5.0700 0.0300 0.0000 C 0 0 2 0 0 0 -4.1100 1.2500 0.0000 N 0 0 -5.5933 1.4152 0.0000 C 0 0 -5.9518 -1.1600 0.0000 C 0 0 -2.4051 -2.9841 0.0000 C 0 0 1.9900 0.3700 0.0000 C 0 0 2.9600 1.5900 0.0000 C 0 0 4.4900 1.3800 0.0000 C 0 0 5.0700 0.0000 0.0000 C 0 0 4.1100 -1.2500 0.0000 C 0 0 2.5700 -1.0300 0.0000 C 0 0 1.6100 -2.2500 0.0000 O 0 0 5.2207 2.3319 0.0000 F 0 0 2 1 1 1 2 22 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 4 16 1 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 15 1 0 10 11 1 0 11 12 1 0 11 13 1 1 11 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03831986 > 4 $$$$ SciTegic07110717552D 26 29 0 0 0 0 999 V2000 -6.0276 -1.5706 0.0000 C 0 0 -4.7215 -2.3100 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 -3.4507 -0.0551 0.0000 C 0 0 -4.7676 0.6649 0.0000 C 0 0 -2.1588 0.7279 0.0000 C 0 0 -2.1907 2.2066 0.0000 C 0 0 -0.9076 2.9736 0.0000 C 0 0 0.4462 2.2194 0.0000 C 0 0 0.4214 0.7513 0.0000 C 0 0 -0.8050 -0.0264 0.0000 C 0 0 -0.8386 -1.5104 0.0000 C 0 0 1 0 0 0 -2.0739 -2.3040 0.0000 O 0 0 -0.8595 -2.9884 0.0000 C 0 0 0.4288 -3.7567 0.0000 C 0 0 0.4076 -5.2565 0.0000 C 0 0 -0.9019 -5.9881 0.0000 C 0 0 -2.1902 -5.2198 0.0000 C 0 0 -2.1690 -3.7200 0.0000 C 0 0 1.7275 0.0237 0.0000 C 0 0 3.0265 0.7819 0.0000 C 0 0 2.9964 2.3013 0.0000 C 0 0 2 0 0 0 1.6904 3.0290 0.0000 N 0 0 2.9337 3.7803 0.0000 C 0 0 4.2733 1.5518 0.0000 C 0 0 1.7401 -1.4772 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 13 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 23 1 0 9 10 2 0 10 11 1 0 10 20 1 0 11 12 1 0 12 13 1 0 12 14 1 6 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 2 0 20 26 1 0 21 22 1 0 22 23 1 0 22 24 1 6 22 25 1 0 M END > ZINC03831944 > 5 $$$$ SciTegic07110717552D 28 32 0 0 0 0 999 V2000 3.9032 2.7305 0.0000 C 0 0 2.9600 1.5900 0.0000 C 0 0 1 0 0 0 1.9900 0.3700 0.0000 C 0 0 2.5700 -1.0300 0.0000 C 0 0 1.6100 -2.2500 0.0000 C 0 0 0.0800 -2.0200 0.0000 C 0 0 -0.4500 -0.5900 0.0000 C 0 0 0.4500 0.5900 0.0000 C 0 0 0.0000 2.0200 0.0000 C 0 0 2 0 0 0 -1.6100 2.2500 0.0000 O 0 0 -2.5700 1.0300 0.0000 C 0 0 -1.9900 -0.3700 0.0000 C 0 0 -2.9600 -1.5900 0.0000 C 0 0 -4.4900 -1.3800 0.0000 C 0 0 -5.0700 0.0300 0.0000 C 0 0 -4.1100 1.2500 0.0000 C 0 0 -0.5274 3.4063 0.0000 C 0 0 0.4201 4.5692 0.0000 C 0 0 -0.1133 5.9712 0.0000 C 0 0 -1.5941 6.2103 0.0000 C 0 0 -2.5416 5.0474 0.0000 C 0 0 -2.0082 3.6454 0.0000 C 0 0 4.1100 -1.2500 0.0000 N 0 0 5.0700 0.0000 0.0000 C 0 0 2 0 0 0 4.4900 1.3800 0.0000 C 0 0 5.2207 2.3319 0.0000 O 0 0 5.9396 1.1984 0.0000 C 0 0 5.6067 -1.3803 0.0000 C 0 0 2 1 1 6 2 25 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 4 23 1 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 17 1 6 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 1 0 24 25 1 0 24 27 1 6 24 28 1 0 25 26 2 0 M END > ZINC03831973 > 6 $$$$ SciTegic07110717552D 29 33 0 0 0 0 999 V2000 1.0799 -6.2497 0.0000 C 0 0 1.1803 -4.7523 0.0000 C 0 0 2.0780 -4.3116 0.0000 O 0 0 -0.0658 -3.9158 0.0000 S 0 0 0.0000 -2.4353 0.0000 C 0 0 2 0 0 0 -1.3723 -3.1504 0.0000 C 0 0 -2.6286 -2.4353 0.0000 C 0 0 -3.9042 -3.1504 0.0000 C 0 0 -5.1992 -2.4353 0.0000 C 0 0 -6.2326 -3.0452 0.0000 O 0 0 -5.1992 -0.9664 0.0000 C 0 0 -3.9042 -0.2513 0.0000 C 0 0 -2.6286 -0.9664 0.0000 C 0 0 1 0 0 0 -1.3723 -0.2513 0.0000 C 0 0 2 0 0 0 0.0000 -0.9664 0.0000 C 0 0 1 0 0 0 1.1983 -0.2513 0.0000 C 0 0 2 0 0 0 3.7496 -0.2513 0.0000 C 0 0 3.7496 1.2177 0.0000 C 0 0 2.4740 1.9521 0.0000 C 0 0 2 0 0 0 1.1983 1.2177 0.0000 C 0 0 2 0 0 0 0.0000 1.9521 0.0000 C 0 0 -1.3723 1.2177 0.0000 C 0 0 2.4921 0.4557 0.0000 C 0 0 1.2756 4.0395 0.0000 C 0 0 2.7059 4.2135 0.0000 C 0 0 3.4017 3.7882 0.0000 C 0 0 4.4575 4.3586 0.0000 O 0 0 3.3630 2.5706 0.0000 O 0 0 -3.9269 -1.7201 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 15 5 1 1 5 6 1 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 29 1 6 14 22 1 1 14 15 1 0 15 16 1 0 16 20 1 0 16 17 1 1 17 18 1 0 18 19 1 0 19 28 1 1 19 20 1 0 19 24 1 0 20 21 1 0 20 23 1 6 21 22 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 M END > ZINC03833825 > 7 $$$$ SciTegic07110717552D 29 33 0 0 0 0 999 V2000 3.9032 2.7305 0.0000 C 0 0 2.9600 1.5900 0.0000 C 0 0 1 0 0 0 1.9900 0.3700 0.0000 C 0 0 2.5700 -1.0300 0.0000 C 0 0 1.6100 -2.2500 0.0000 C 0 0 0.0800 -2.0200 0.0000 C 0 0 -0.4500 -0.5900 0.0000 C 0 0 0.4500 0.5900 0.0000 C 0 0 0.0000 2.0200 0.0000 C 0 0 0.9906 3.1453 0.0000 C 0 0 0.5125 4.5679 0.0000 C 0 0 -0.9586 4.8615 0.0000 C 0 0 -1.4398 6.2822 0.0000 C 0 0 -0.4501 7.4094 0.0000 C 0 0 1.0209 7.1158 0.0000 C 0 0 1.5021 5.6951 0.0000 C 0 0 -1.6100 2.2500 0.0000 O 0 0 -2.5700 1.0300 0.0000 C 0 0 -1.9900 -0.3700 0.0000 C 0 0 -2.9600 -1.5900 0.0000 C 0 0 -4.4900 -1.3800 0.0000 C 0 0 -5.0700 0.0300 0.0000 C 0 0 -4.1100 1.2500 0.0000 C 0 0 4.1100 -1.2500 0.0000 N 0 0 5.0700 0.0000 0.0000 C 0 0 1 0 0 0 4.4900 1.3800 0.0000 C 0 0 5.2207 2.3319 0.0000 O 0 0 5.9396 1.1984 0.0000 C 0 0 5.6067 -1.3803 0.0000 C 0 0 2 1 1 6 2 26 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 4 24 1 0 5 6 1 0 6 7 2 0 7 19 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 17 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 25 26 1 0 25 28 1 1 25 29 1 0 26 27 2 0 M END > ZINC03831985 > 8 $$$$ SciTegic07110717552D 33 37 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 1 0 0 0 -0.4380 0.3285 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.2761 3.6533 0.0000 C 0 0 3.8240 5.0844 0.0000 C 0 0 4.8366 6.1921 0.0000 C 0 0 4.3845 7.6232 0.0000 O 0 0 1.9993 3.2395 0.0000 O 0 0 -1.7159 1.0096 0.0000 C 0 0 -3.0370 1.7201 0.0000 C 0 0 -4.3128 0.9313 0.0000 C 0 0 -4.2676 -0.5680 0.0000 C 0 0 -2.9465 -1.2785 0.0000 C 0 0 -1.6707 -0.4897 0.0000 C 0 0 -5.7364 -0.8761 0.0000 N 0 0 -6.2050 -2.3019 0.0000 C 0 0 -6.7350 0.2443 0.0000 C 0 0 2 1 1 6 2 16 1 0 2 19 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 25 1 1 5 15 1 0 5 6 2 0 6 12 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 14 1 6 15 16 1 0 16 17 1 1 17 18 1 0 18 19 1 0 19 20 1 0 19 24 1 6 20 21 1 0 21 22 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 31 1 0 29 30 1 0 31 32 1 0 31 33 1 0 M END > ZINC03831947 > 9 $$$$