-ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 2.9500 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.4833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6667 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.2958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1875 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 9 1 0 0 0 0 5 6 1 0 0 0 0 8 14 2 0 0 0 0 M CHG 2 4 1 10 -1 M END > (S0226) S0226 > (S0226) 5-Nitro-1H-isoindole-1,3(2H)-dione > (S0226) 89-40-7 > (S0226) 194.5-195 ?C (ref. 1) > (S0226) AC; DY; NT > (S0226) 5-Nitroisoindole-1,3-dione; Phthalimide, 4-nitro- (6CI, 7CI, 8CI); 4-Nitrophthalimide; 5-Nitrophthalimide > (S0226) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 0.3417 -0.3875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 3 0 0 0 0 6 7 3 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 1 2 0 0 0 0 11 3 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 9 13 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S0227) S0227 > (S0227) 3-Nitrophthalonitrile > (S0227) 51762-67-5 > (S0227) AC; DY; NT > (S0227) 2,3-Dicyanonitrobenzene; 1,2-Dicyano-3-nitrobenzene; 3-Nitrophthalonitrile > (S0227) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3625 0.2333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3417 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.6458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7875 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 3 0 0 0 0 4 7 3 0 0 0 0 5 8 2 0 0 0 0 6 5 1 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 13 2 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 5 10 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S0228) S0228 > (S0228) 4-Nitrophthalonitrile > (S0228) 31643-49-9 > (S0228) 141 > (S0228) AC; NT > (S0228) 3,4-Dicyanonitrobenzene; 1,2-Dicyano-4-nitrobenzene; Phthalonitrile, 4-nitro- (6CI, 8CI); 4-Nitro-1,2-benzenedicarbonitrile; 4-Nitro-1,2-dicyanobenzene; 4-Nitro-o-benzenedinitrile; 4-Nitrophthalonitrile > (S0228) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 1.0500 1.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.1875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3375 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.7042 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S0239) S0239 > (S0239) 1-Fluoro-3-iodo-5-nitrobenzene > (S0239) 3819-88-3 > (S0239) FL; HA; NT > (S0239) Benzene, 1-fluoro-3-iodo-5-nitro- > (S0239) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3875 0.0333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4792 0.0458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.4583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2042 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 2.5208 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 12 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 1 2 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 7 4 1 0 0 0 0 M CHG 4 1 1 2 1 8 -1 9 -1 M END > (S0240) S0240 > (S0240) 1-Iodo-3,5-dinitrobenzene > (S0240) 6276-04-6 > (S0240) HA; NT > (S0240) Benzene, 1-iodo-3,5-dinitro- > (S0240) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 2.2250 1.7583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.1000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8042 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9542 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 12 1 0 0 0 0 5 12 1 0 0 0 0 M CHG 2 4 1 9 -1 M END > (S0289) S0289 > (S0289) 4-Chloro-2-nitrobenzenesulfonyl chloride > (S0289) 4533-96-4 > (S0289) HA; SC; NT > (S0289) Benzenesulfonyl chloride, 4-chloro-2-nitro- > (S0289) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 0.3792 2.1083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8292 -0.3625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3917 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5417 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 4 12 2 0 0 0 0 M CHG 2 2 1 8 -1 M END > (S0304) S0304 > (S0304) 3-Nitrobenzenesulfonyl chloride > (S0304) 121-51-7 > (S0304) SC; NT > (S0304) Benzenesulfonyl chloride, 3-nitro- > (S0304) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6042 2.9125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6125 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 3.3208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9375 3.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 10 2 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 9 8 1 0 0 0 0 14 16 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S0404) S0404 > (S0404) 1-Nitro-4-phenoxybenzene > (S0404) 620-88-2 > (S0404) BP; NT > (S0404) Benzene, 1-nitro-4-phenoxy- > (S0404) true $$$$ -ISIS- 07201111452D 14 14 0 0 0 0 0 0 0 0999 V2000 -0.4333 0.6000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2792 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.4333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4292 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 2.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 8 14 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S0441) S0441 > (S0441) 2-Chloro-N-(3-nitrophenyl)acetamide > (S0441) 10147-71-4 > (S0441) HA; NT > (S0441) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 1.2292 -2.0167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2292 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -2.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3750 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 3 9 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1645) S1645 > (S1645) (2-methoxy-5-nitrophenyl)acetic acid > (S1645) 51073-04-2 > (S1645) AC; NT > (S1645) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 3.0250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.5583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4583 3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 15 1 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 6 5 1 0 0 0 0 13 7 2 0 0 0 0 M CHG 2 3 1 10 -1 M END > (S1656) S1656 > (S1656) 5-(3-nitrophenyl)-1,2,4-thiadiazol-3-amine > (S1656) 1086385-88-7 > (S1656) AM; HC; NT > (S1656) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.5750 -0.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.2833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3917 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.6583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 2.0958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4333 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 12 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 4 1 0 0 0 0 6 5 1 0 0 0 0 7 11 1 0 0 0 0 M CHG 2 3 1 9 -1 M END > (S1657) S1657 > (S1657) 5-(4-nitrophenyl)-1,2,4-thiadiazol-3-amine > (S1657) 90220-90-9 > (S1657) AM; HC; NT > (S1657) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 3.3417 0.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3375 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.3625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 8 10 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1690) S1690 > (S1690) 4-bromo-2-nitroaniline > (S1690) 875-51-4 > (S1690) AM; HA; NT > (S1690) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 1.6167 1.2875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 2.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.8833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6167 2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.1917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 3 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 9 11 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S1694) S1694 > (S1694) 4-bromo-2-nitrobenzonitrile > (S1694) 79603-03-5 > (S1694) AC; HA; NT > (S1694) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.0750 -0.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7792 1.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.2583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 2.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 1.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7792 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 12 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 11 4 1 0 0 0 0 13 8 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1713) S1713 > (S1713) 3-methyl-1-(4-nitrophenyl)piperazine > (S1713) 329922-44-3 > (S1713) AM; HC; NT; PZ > (S1713) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.7208 -2.1500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.6417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -1.7375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7208 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 2 2 0 0 0 0 12 11 1 0 0 0 0 8 4 1 0 0 0 0 6 7 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S1730) S1730 > (S1730) 5-nitro-1,3-benzothiazole > (S1730) 2942-07-6 > (S1730) HC; NT > (S1730) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 1.4625 -4.6625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1750 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -5.0750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1750 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 11 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 2 8 2 0 0 0 0 M CHG 2 1 1 6 -1 M END > (S1749) S1749 > (S1749) methyl 2-methyl-5-nitrobenzoate > (S1749) 77324-87-9 > (S1749) AC; NT > (S1749) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.4167 -4.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 5 7 2 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1750) S1750 > (S1750) (2-methyl-5-nitrophenyl)methanol > (S1750) 22474-47-1 > (S1750) MI; NT > (S1750) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.1500 -4.6000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -5.0125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8625 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 3 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 6 9 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1752) S1752 > (S1752) 2-(2-methyl-5-nitrophenyl)acetonitrile > (S1752) 409082-11-7 > (S1752) AC; NT > (S1752) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 3.8042 -4.8500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -5.2625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 3 9 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1753) S1753 > (S1753) 2-(2-methyl-5-nitrophenyl)acetic acid > (S1753) 287119-83-9 > (S1753) AC; NT > (S1753) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 5.1375 -1.3250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4250 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -1.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1375 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.8042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1767) S1767 > (S1767) 4-bromo-1-methyl-2-nitrobenzene > (S1767) 60956-26-5 > (S1767) HA; NT > (S1767) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4250 0.2083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.2667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 12 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 3 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 14 11 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S1791) S1791 > (S1791) 3-(4-bromo-2-nitrophenyl)propanoic acid > (S1791) 1086386-16-4 > (S1791) AC; HA; NT; PP > (S1791) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.7917 0.0750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0792 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7875 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.4042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 11 7 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1799) S1799 > (S1799) 4-bromo-2-nitrobenzaldehyde > (S1799) 5551-12-2 > (S1799) AK; HA; NT > (S1799) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 3.4000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 2.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2250 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 2.8833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0917 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 4 5 1 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S1801) S1801 > (S1801) 3-methyl-4-nitro-1H-pyrazole > (S1801) 5334-39-4 > (S1801) AM; HC; NT > (S1801) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 6.5417 -5.8792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8292 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.2792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5375 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.3542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 8 11 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1960) S1960 > (S1960) N-[(E)-(4-bromo-2-nitrophenyl)methylidene]methanamine > (S1960) HA; NT > (S1960) N-[(E)-(4-bromo-2-nitrophenyl)methylidene]-N-methylamine > (S1960) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 0.8375 -2.5542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8375 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 6 11 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 5 6 1 0 0 0 0 2 3 2 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S2006) S2006 > (S2006) 6-nitro-1,3-benzothiazol-2-amine > (S2006) 6285-57-0 > (S2006) AM; HC; NT > (S2006) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.2917 -3.9000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5750 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.7250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0042 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -4.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2015) S2015 > (S2015) 4-amino-3-nitrobenzoic acid > (S2015) 1588-83-6 > (S2015) AC; AM; NT > (S2015) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 5.2542 -5.0292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.4500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9750 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 13 1 0 0 0 0 2 6 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2025) S2025 > (S2025) 2-methoxy-5-nitrobenzoic acid > (S2025) 40751-89-1 > (S2025) AC; NT > (S2025) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 6.6917 -7.1375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -7.9625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4042 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2032) S2032 > (S2032) methyl 4-amino-3-nitrobenzoate > (S2032) 3987-92-6 > (S2032) AC; AM; NT > (S2032) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.3833 -4.4292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1917 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -4.0167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 11 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 6 2 0 0 0 0 10 1 2 0 0 0 0 11 18 2 0 0 0 0 12 3 2 0 0 0 0 13 9 1 0 0 0 0 14 4 2 0 0 0 0 15 7 1 0 0 0 0 16 7 2 0 0 0 0 17 6 1 0 0 0 0 18 16 1 0 0 0 0 19 15 2 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 22 9 1 0 0 0 0 23 20 1 0 0 0 0 19 11 1 0 0 0 0 13 20 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S2067) S2067 > (S2067) N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-3-oxopropanamide > (S2067) 62254-00-6 > (S2067) AK; NT > (S2067) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 6.8917 -2.4000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1792 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.8042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8917 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 8 5 1 0 0 0 0 13 15 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S2092) S2092 > (S2092) 4-nitro-1,1'-biphenyl > (S2092) 92-93-3 > (S2092) BP; NT > (S2092) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 4.9000 -6.3792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6167 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.5542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0417 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -8.8542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S2099) S2099 > (S2099) (4-bromo-2-nitrophenyl)acetic acid > (S2099) 6127-11-3 > (S2099) AC; HA; NT > (S2099) true $$$$ -ISIS- 07201111452D 22 23 0 0 0 0 0 0 0 0999 V2000 6.0042 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -2.0542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -2.8750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4417 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 4 7 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 2 3 1 9 -1 M END > (S2178) S2178 > (S2178) 4-(benzyloxy)-5-methoxy-2-nitrobenzoic acid > (S2178) - > (S2178) AC; NT > (S2178) true $$$$ -ISIS- 12091012012D 15 15 0 0 0 0 0 0 0 0999 V2000 0.2167 -3.3042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3625 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.8917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2167 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 11 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 7 2 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 2 3 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S2184) S2184 > (S2184) 4-nitrophthalamide > (S2184) 13138-53-9 > (S2184) AM; NT > (S2184) true $$$$ -ISIS- 07201111452D 13 13 0 0 0 0 0 0 0 0999 V2000 8.3167 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.4625 -3.1792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6042 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.7667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4625 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -1.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 1 1 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 12 4 2 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S2201) S2201 > (S2201) 4-nitrobenzenesulfonyl chloride > (S2201) 98-74-8 > (S2201) SC; NT > (S2201) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 4.4042 -1.8125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6792 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -2.6375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1167 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.8042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 9 3 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2256) S2256 > (S2256) 3-fluoro-5-nitrobenzoic acid > (S2256) 14027-75-9 > (S2256) AC; FL; NT > (S2256) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 1.6375 1.4958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2042 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.0833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6375 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.9917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 6 11 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2261) S2261 > (S2261) 4-bromo-2-nitrobenzoic acid > (S2261) 99277-71-1 > (S2261) 165-169 > (S2261) AC; HA; NT > (S2261) true $$$$ -ISIS- 12091012012D 16 16 0 0 0 0 0 0 0 0999 V2000 1.4125 1.4958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4458 1.4875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7333 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.0875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4458 2.3125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1583 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 8 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 1 2 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 3 9 2 0 0 0 0 M CHG 4 1 1 2 1 10 -1 11 -1 M END > (S2311) S2311 > (S2311) methyl 3,5-dinitrobenzoate > (S2311) 2702-58-1 > (S2311) AC; NT > (S2311) true $$$$ -ISIS- 07201111452D 9 9 0 0 0 0 0 0 0 0999 V2000 1.4000 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.2958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7292 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.7375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3542 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 3.3208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S2352) S2352 > (S2352) 3-bromo-2-nitrothiophene > (S2352) 24430-27-1 > (S2352) HA; HC; NT > (S2352) true $$$$ -ISIS- 07201111452D 16 16 0 0 0 0 0 0 0 0999 V2000 3.9250 -3.8667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2042 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -3.8667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4875 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -4.6917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3417 -3.4542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6375 -3.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 1 2 0 0 0 0 13 3 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 6 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 4 1 1 3 1 10 -1 11 -1 M END > (S2608) S2608 > (S2608) 2-methyl-3,5-dinitrobenzoic acid > (S2608) 28169-46-2 > (S2608) AC; NT > (S2608) true $$$$ -ISIS- 07201111452D 17 17 0 0 0 0 0 0 0 0999 V2000 7.2542 -7.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5375 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -7.4167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8167 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6750 -7.0042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9667 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 1 2 0 0 0 0 13 3 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 4 1 1 3 1 10 -1 11 -1 M END > (S2609) S2609 > (S2609) methyl 2-methyl-3,5-dinitrobenzoate > (S2609) 52090-24-1 > (S2609) AC; NT > (S2609) true $$$$ -ISIS- 07201111452D 16 16 0 0 0 0 0 0 0 0999 V2000 7.2750 -1.8042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4167 -4.3000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -4.7125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5625 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 12 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 7 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 15 1 1 0 0 0 0 16 11 1 0 0 0 0 13 3 1 0 0 0 0 M CHG 2 2 1 6 -1 M END > (S2705) S2705 > (S2705) 2-METHYL-5-NITROBENZYL METHANESULFONATE > (S2705) - > (S2705) NT > (S2705) true $$$$ -ISIS- 12091012012D 15 16 0 0 0 0 0 0 0 0999 V2000 6.6542 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.9375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.5292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0500 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -2.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 13 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 6 3 1 0 0 0 0 12 7 2 0 0 0 0 M CHG 2 4 1 9 -1 M END > (S2802) S2802 > (S2802) 5-(4-nitrophenyl)-1,3,4-oxadiazole-2-thiol > (S2802) - > (S2802) HC; SH; NT > (S2802) true $$$$ -ISIS- 07201111452D 12 12 0 0 0 0 0 0 0 0999 V2000 4.8167 -4.6792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8167 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -5.0917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5292 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -2.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 4 7 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S2823) S2823 > (S2823) 2-ethyl-5-nitroaniline > (S2823) 20191-74-6 > (S2823) AM; NT > (S2823) true $$$$ -ISIS- 07201111452D 13 14 0 0 0 0 0 0 0 0999 V2000 0.2417 -2.6500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6667 -1.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2417 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 5 9 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 1 1 0 0 0 0 11 1 2 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 4 5 1 0 0 0 0 2 8 2 0 0 0 0 M CHG 2 1 1 10 -1 M END > (S2832) S2832 > (S2832) 3-methyl-6-nitro-1H-indazole > (S2832) 6494-19-5 > (S2832) HC; NT > (S2832) true $$$$ -ISIS- 07201111452D 14 15 0 0 0 0 0 0 0 0999 V2000 3.5917 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4500 -1.0042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3792 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -0.5917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4500 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 6 1 0 0 0 0 3 4 1 0 0 0 0 8 7 2 0 0 0 0 M CHG 2 5 1 11 -1 M END > (S2836) S2836 > (S2836) 2,3-DIMETHYL-6-NITRO-2H-INDAZOLE > (S2836) - > (S2836) HC; NT > (S2836) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 1.4542 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.3875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4500 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.8042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1667 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.0875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 3 1 0 0 0 0 14 6 1 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 17 16 1 0 0 0 0 18 8 1 0 0 0 0 5 4 2 0 0 0 0 17 10 1 0 0 0 0 M CHG 2 7 1 11 -1 M END > (S3111) S3111 > (S3111) 1-(6,7-dichloro-8-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone > (S3111) - > (S3111) HC; MI; NT > (S3111) true $$$$ -ISIS- 07201111452D 13 13 0 0 0 0 0 0 0 0999 V2000 2.1542 -4.3417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1542 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -4.7542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8667 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.2625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 3 7 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S3285) S3285 > (S3285) 2-(chloromethyl)-1-methoxy-4-nitrobenzene > (S3285) 93-06-1 > (S3285) HA; NT > (S3285) true $$$$ -ISIS- 07201111452D 13 13 0 0 0 0 0 0 0 0999 V2000 2.0542 -2.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7667 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -2.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7667 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.9958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 2 6 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S3291) S3291 > (S3291) 2-CHLORO-5-NITROBENZOIC ACID > (S3291) 2516-96-3 > (S3291) AC; NT > (S3291) true $$$$ -ISIS- 07201111452D 14 14 0 0 0 0 0 0 0 0999 V2000 4.3167 -1.5542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6042 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -1.9625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3167 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.3167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 6 1 0 0 0 0 10 4 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S3535) S3535 > (S3535) 4-(bromomethyl)-3-nitrobenzoic acid > (S3535) 55715-03-2 > (S3535) AC; HA; NT > (S3535) true $$$$ -ISIS- 06091114552D 13 13 0 0 0 0 0 0 0 0999 V2000 6.5417 -5.9458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8292 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -4.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -6.3542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8250 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -8.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 3 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 13 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 10 11 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S3845) S3845 > (S3845) 2-(4-FLUORO-2-NITROPHENYL)ACETONITRILE > (S3845) 708-58-7 > (S3845) FL; NT > (S3845) true $$$$ -ISIS- 06091114552D 14 14 0 0 0 0 0 0 0 0999 V2000 6.5417 -5.4667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8292 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -5.8750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3958 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -7.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 9 2 0 0 0 0 14 11 1 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S3846) S3846 > (S3846) 4-FLUORO-2-NITROPHENYLACETIC ACID > (S3846) 39616-95-0 > (S3846) AC; FL; NT > (S3846) true $$$$ -ISIS- 06091114552D 13 14 0 0 0 0 0 0 0 0999 V2000 2.7083 -2.7167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6417 -1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -2.5542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.3042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7083 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 8 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 13 4 1 0 0 0 0 11 6 2 0 0 0 0 2 4 2 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S3891) S3891 > (S3891) 2-METHYL-6-NITROBENZOTHIAZOLE > (S3891) 2941-63-1 > (S3891) HC; NT > (S3891) true $$$$ -ISIS- 06091114552D 20 21 0 0 0 0 0 0 0 0999 V2000 2.1375 -3.4458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5708 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.0333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4208 -3.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -6.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 13 2 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 12 16 2 0 0 0 0 20 19 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S3964) S3964 > (S3964) (2E)-3-(2-NITROPHENYL)-2-PHENYL-2-PROPENOIC ACID > (S3964) 5345-40-4 > (S3964) AC; NT > (S3964) true $$$$ -ISIS- 06091114552D 15 16 0 0 0 0 0 0 0 0999 V2000 6.1917 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -4.4375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1917 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -4.8458 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9750 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -5.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -6.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9083 -6.9167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 2 2 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 6 7 2 0 0 0 0 10 12 1 0 0 0 0 M CHG 2 2 1 8 -1 M END > (S3976) S3976 > (S3976) 5-(1-chloroethyl)-6-nitro-1,3-benzodioxole > (S3976) HA; HC; NT > (S3976) true $$$$ -ISIS- 06091114552D 14 14 0 0 0 0 0 0 0 0999 V2000 2.2083 -6.9167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2042 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -5.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -7.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9208 -4.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 3 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 9 6 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S4035) S4035 > (S4035) (2-METHOXY-5-NITROPHENYL)ACETONITRILE > (S4035) 99459-52-6 > (S4035) NT > (S4035) true $$$$ -ISIS- 06091114552D 21 22 0 0 0 0 0 0 0 0999 V2000 7.9292 -1.0208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5125 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -0.6042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2125 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -3.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -3.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.6208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 16 1 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 14 1 0 0 0 0 18 4 2 0 0 0 0 19 5 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 15 14 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S4043) S4043 > (S4043) (2Z)-2-(4-bromophenyl)-3-(2-nitrophenyl)acrylic acid > (S4043) AC; HA; NT > (S4043) true $$$$ -ISIS- 06091114552D 13 13 0 0 0 0 0 0 0 0999 V2000 3.1000 -1.1792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8125 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.3542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3833 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 10 13 1 0 0 0 0 M CHG 2 1 1 6 -1 M END > (S4063) S4063 > (S4063) 2'-NITROACETANILIDE > (S4063) 552-32-9 > (S4063) AM; NT > (S4063) true $$$$ -ISIS- 06091114552D 16 16 0 0 0 0 0 0 0 0999 V2000 2.9042 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.3667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6167 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3292 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 12 9 1 0 0 0 0 M CHG 2 2 1 6 -1 M END > (S4067) S4067 > (S4067) N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE > (S4067) 885-81-4 > (S4067) AM; NT > (S4067) true $$$$ -ISIS- 06091114552D 10 10 0 0 0 0 0 0 0 0999 V2000 5.3542 -5.2292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6417 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -5.6417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3542 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -4.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 8 10 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S4068) S4068 > (S4068) 2-NITROANILINE > (S4068) 88-74-4 > (S4068) AM; NT > (S4068) true $$$$ -ISIS- 06091114552D 10 10 0 0 0 0 0 0 0 0999 V2000 4.6167 -5.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6167 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -5.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3375 -5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 9 7 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S4069) S4069 > (S4069) 4-NITROPHENOL > (S4069) 100-02-7 > (S4069) NT > (S4069) true $$$$ -ISIS- 06091114552D 14 14 0 0 0 0 0 0 0 0999 V2000 2.8750 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -2.3667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5875 -4.8417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5875 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -1.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8750 -5.2625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4500 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 8 7 1 0 0 0 0 M CHG 4 2 1 3 1 9 -1 10 -1 M END > (S4070) S4070 > (S4070) 2-AMINO-4,6-DINITROPHENOL > (S4070) 96-91-3 > (S4070) AM; NT > (S4070) true $$$$ -ISIS- 06091114552D 14 14 0 0 0 0 0 0 0 0999 V2000 4.8000 -5.6125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0792 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -6.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5167 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 13 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S4074) S4074 > (S4074) 4-METHOXY-3-NITROBENZOIC ACID > (S4074) 89-41-8 > (S4074) AC; NT > (S4074) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 5.2417 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.7667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5250 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -3.1750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9500 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -1.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -2.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -5.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 4 6 2 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S4075) S4075 > (S4075) 2,4-DICHLORO-6-NITROANILINE > (S4075) 2683-43-4 > (S4075) AM; NT > (S4075) true $$$$ -ISIS- 06091114552D 11 11 0 0 0 0 0 0 0 0999 V2000 6.2292 -3.2042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5167 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -3.6125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2292 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 8 9 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S4079) S4079 > (S4079) 4-CHLORO-2-NITROPHENOL > (S4079) 89-64-5 > (S4079) NT > (S4079) true $$$$ -ISIS- 06091114552D 10 10 0 0 0 0 0 0 0 0999 V2000 3.5542 -6.3417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5542 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -6.7542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2667 -6.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.0375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 9 7 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S4083) S4083 > (S4083) 1-BROMO-4-NITROBENZENE > (S4083) 586-78-7 > (S4083) HA; NT > (S4083) true $$$$ -ISIS- 06091114552D 19 21 0 0 0 0 0 0 0 0999 V2000 8.0167 -3.2167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6292 -1.4917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.9667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6292 -0.6667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5042 -2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 8 2 0 0 0 0 12 5 2 0 0 0 0 13 19 2 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 1 2 0 0 0 0 17 2 2 0 0 0 0 18 12 1 0 0 0 0 19 8 1 0 0 0 0 4 6 2 0 0 0 0 3 5 1 0 0 0 0 7 18 2 0 0 0 0 M CHG 4 1 1 2 1 14 -1 15 -1 M END > (S4086) S4086 > (S4086) 2,7-DINITROFLUORENE > (S4086) 5405-53-8 > (S4086) NT > (S4086) true $$$$ -ISIS- 06091114552D 22 24 0 0 0 0 0 0 0 0999 V2000 7.4042 -10.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -10.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -9.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -10.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -10.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -8.8500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7000 -12.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6917 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -9.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -8.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9875 -12.5667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1250 -8.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -12.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -8.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -12.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -11.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -9.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -10.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -10.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -10.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -10.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 3 2 0 0 0 0 14 4 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 6 1 0 0 0 0 18 5 2 0 0 0 0 19 10 2 0 0 0 0 20 9 1 0 0 0 0 21 20 2 0 0 0 0 22 17 2 0 0 0 0 6 2 2 0 0 0 0 18 21 1 0 0 0 0 22 19 1 0 0 0 0 M CHG 4 7 1 8 1 11 -1 12 -1 M END > (S4089) S4089 > (S4089) 1,5-DINITROANTHRAQUINONE > (S4089) 82-35-9 > (S4089) NT > (S4089) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 4.5167 -2.3542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9542 -3.1750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.9375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6667 -3.5792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8042 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 10 11 2 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END > (S4090) S4090 > (S4090) 1,2-DINITROBENZENE > (S4090) 528-29-0 > (S4090) NT > (S4090) true $$$$ -ISIS- 06091114552D 10 10 0 0 0 0 0 0 0 0999 V2000 6.1417 -2.3917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4292 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -2.8000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1375 -1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 8 10 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S4101) S4101 > (S4101) 2-NITROTOLUENE > (S4101) 88-72-2 > (S4101) NT > (S4101) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 4.1792 -7.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1792 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -7.5667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9000 -7.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.6667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -4.6792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 5 3 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S4108) S4108 > (S4108) 2,6-DIBROMO-4-NITROPHENOL > (S4108) 99-28-5 > (S4108) HA; NT > (S4108) true $$$$ -ISIS- 06091114552D 15 15 0 0 0 0 0 0 0 0999 V2000 5.2042 -3.3625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3417 -3.3625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0625 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.1792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6292 -2.9500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9250 -2.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 9 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 1 2 0 0 0 0 13 2 2 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 8 3 2 0 0 0 0 M CHG 4 1 1 2 1 10 -1 11 -1 M END > (S4110) S4110 > (S4110) 3,5-DINITROBENZOIC ACID > (S4110) 99-34-3 > (S4110) AC; NT > (S4110) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 5.1417 -5.1125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4292 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -5.9292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8625 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7125 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 4 9 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S4117) S4117 > (S4117) N,N-DIMETHYL-3-NITROANILINE > (S4117) 619-31-8 > (S4117) NT > (S4117) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 2.3375 -6.9667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3375 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -7.3792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0542 -7.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 4 7 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S4120) S4120 > (S4120) 2-METHOXY-4-NITROANILINE > (S4120) 97-52-9 > (S4120) AM; NT > (S4120) true $$$$ -ISIS- 06091114552D 14 14 0 0 0 0 0 0 0 0999 V2000 4.2042 -2.5792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4917 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -3.4042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -3.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4917 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 13 6 2 0 0 0 0 M CHG 2 4 1 9 -1 M END > (S4121) S4121 > (S4121) 5-amino-2-nitrobenzenesulfonic acid > (S4121) 551-91-7 > (S4121) AM; NT > (S4121) true $$$$ -ISIS- 06091114552D 13 14 0 0 0 0 0 0 0 0999 V2000 2.7875 -3.9000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6417 -3.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -3.0667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0708 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 4 7 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 11 2 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S4122) S4122 > (S4122) 2-METHYL-5-NITRO-1H-BENZIMIDAZOLE > (S4122) 1792-40-1 > (S4122) HC; NT > (S4122) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 4.5167 -1.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5250 -4.9375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5250 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.2167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8167 -5.3542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8042 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 4 2 0 0 0 0 10 11 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 12 3 2 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END > (S4125) S4125 > (S4125) 1,4-DINITROBENZENE > (S4125) 100-25-4 > (S4125) NT > (S4125) true $$$$ -ISIS- 06091114552D 17 18 0 0 0 0 0 0 0 0999 V2000 6.2292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -0.7917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5167 -3.2792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5167 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -1.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8042 -3.6917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9375 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 6 1 0 0 0 0 14 8 2 0 0 0 0 15 7 2 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 7 4 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 4 2 1 3 1 9 -1 10 -1 M END > (S4126) S4126 > (S4126) 2,4-DINITRO-1-NAPHTHOL > (S4126) 605-69-6 > (S4126) NT > (S4126) true $$$$ -ISIS- 06091114552D 12 12 0 0 0 0 0 0 0 0999 V2000 3.5917 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.9625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3042 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.1292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1667 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -3.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -3.9542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -6.4375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 2 0 0 0 0 6 9 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 6 4 1 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S4127) S4127 > (S4127) 2,4-DIBROMO-6-NITROANILINE > (S4127) 827-23-6 > (S4127) AM; HA; NT > (S4127) true $$$$