-ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.1042 -0.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -3.9042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 1.9208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.6500 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 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 5 2 1 0 0 0 0 8 20 2 0 0 0 0 M END > (S0309) S0309 > (S0309) 2-Chloro-1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone > (S0309) 314245-30-2 > (S0309) AK; FL; HA; HC; PY > (S0309) 1-Ethanone, 2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]- > (S0309) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3792 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.8958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5167 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 3 4 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S0436) S0436 > (S0436) 2-Chloro-1-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-1-ethanone > (S0436) 300557-74-8 > (S0436) AK; HA; HC; PY > (S0436) 1-Ethanone, 2-chloro-1-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]- > (S0436) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.0042 -1.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 15 1 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 3 5 1 0 0 0 0 18 16 2 0 0 0 0 M END > (S0439) S0439 > (S0439) 2-Chloro-1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0439) 565170-64-1 > (S0439) AK; FL; HA; HC; PY > (S0439) 1-Ethanone, 2-chloro-1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0439) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2792 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3167 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.8625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 3.4458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 4 3 1 0 0 0 0 15 12 1 0 0 0 0 M END > (S0440) S0440 > (S0440) 2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0440) 571159-05-2 > (S0440) AK; HA; HC; PY > (S0440) 1-Ethanone, 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0440) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4792 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 2.4708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 4 3 1 0 0 0 0 16 17 1 0 0 0 0 M END > (S0443) S0443 > (S0443) 2-Chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-1-ethanone > (S0443) 304685-85-6 > (S0443) AK; HA; HC; PY > (S0443) 1-Ethanone, 2-chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)- > (S0443) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 0.9167 1.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 3.4458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 13 1 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 2 5 1 0 0 0 0 11 9 2 0 0 0 0 M END > (S0444) S0444 > (S0444) 2-Chloro-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0444) 568559-39-7 > (S0444) AK; HA; HC; PY > (S0444) 1-Ethanone, 2-chloro-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0444) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 1.2667 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3417 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 3.4583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 17 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 4 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (S0447) S0447 > (S0447) 2-Chloro-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0447) 315710-86-2 > (S0447) AK; HA; HC; PY > (S0447) 1-Ethanone, 2-chloro-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0447) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -3.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.4708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 4 3 1 0 0 0 0 12 15 1 0 0 0 0 M END > (S0448) S0448 > (S0448) 2-Chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0448) 304685-89-0 > (S0448) AK; FL; HA; HC; PY > (S0448) 1-Ethanone, 2-chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0448) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6667 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.5208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 5 3 1 0 0 0 0 M END > (S0449) S0449 > (S0449) 2-Chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0449) 379241-47-1 > (S0449) AK; HA; HC; PY > (S0449) 1-Ethanone, 2-chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0449) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -4.1583 -3.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5333 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6875 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -4.6917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 -6.3625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 5 3 1 0 0 0 0 16 12 1 0 0 0 0 M END > (S0717) S0717 > (S0717) 2-chloro-1-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0717) 885268-70-2 > (S0717) AK; FL; HA; HC; PY > (S0717) 1-ethanone, 2-chloro-1-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0717) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -2.2458 -7.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6333 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -8.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -9.7667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -4.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 5 3 1 0 0 0 0 16 12 1 0 0 0 0 M END > (S0718) S0718 > (S0718) 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0718) 885268-72-4 > (S0718) AK; HA; HC; PY > (S0718) 1-ethanone, 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0718) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1802) S1802 > (S1802) 1,3-dimethyl-2,4-dioxo-7-propyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1802) 1018256-11-5 > (S1802) AC; HC; PY > (S1802) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 5.6667 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -2.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -1.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3417 -2.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1803) S1803 > (S1803) 7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1803) 1018301-01-3 > (S1803) AC; HC; PY > (S1803) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 8 9 2 0 0 0 0 6 4 1 0 0 0 0 M END > (S1804) S1804 > (S1804) 1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1804) 55307-37-4 > (S1804) AC; HC; PY > (S1804) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 5.6667 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -2.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -1.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3417 -2.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1805) S1805 > (S1805) 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1805) 1018501-32-0 > (S1805) AC; HC; PY > (S1805) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 0.4375 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.1833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1125 0.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1833 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1814) S1814 > (S1814) 7-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1814) 1086386-22-2 > (S1814) AC; HC; PY > (S1814) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -5.7625 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -6.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -5.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 15 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 23 1 0 0 0 0 16 11 2 0 0 0 0 17 3 1 0 0 0 0 18 5 1 0 0 0 0 19 6 1 0 0 0 0 20 10 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 9 8 2 0 0 0 0 5 7 1 0 0 0 0 M END > (S1815) S1815 > (S1815) {2-[6-(methoxycarbonyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]ethoxy}methylphosphonic acid > (S1815) 1086386-24-4 > (S1815) AC; HC; PY > (S1815) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.1583 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -3.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.3875 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -2.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4833 -3.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.7750 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -3.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -4.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5083 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1816) S1816 > (S1816) 7-isobutyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1816) 1086386-26-6 > (S1816) AC; HC; PY > (S1816) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 4.9500 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 9 8 2 0 0 0 0 5 7 1 0 0 0 0 23 22 2 0 0 0 0 M END > (S1817) S1817 > (S1817) 7-benzyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1817) 1086386-28-8 > (S1817) AC; HC; PY > (S1817) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1818) S1818 > (S1818) methyl 1,3-dimethyl-2,4-dioxo-7-propyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1818) 1086386-30-2 > (S1818) AC; HC; PY > (S1818) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 8 9 2 0 0 0 0 6 4 1 0 0 0 0 M END > (S1819) S1819 > (S1819) methyl 1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1819) 119350-50-4 > (S1819) AC; HC; PY > (S1819) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1820) S1820 > (S1820) methyl 7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1820) 1086386-32-4 > (S1820) AC; HC; PY > (S1820) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1821) S1821 > (S1821) methyl 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1821) 1086386-34-6 > (S1821) AC; HC; PY > (S1821) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1822) S1822 > (S1822) 7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid > (S1822) 1086386-36-8 > (S1822) AC; HC; PY > (S1822) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.9500 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6250 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 18 1 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1823) S1823 > (S1823) methyl 7-(3-methoxypropyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1823) 1086386-38-0 > (S1823) AC; HC; PY > (S1823) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.6000 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3667 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2750 -2.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -3.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4625 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1824) S1824 > (S1824) methyl 7-isobutyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1824) 1086386-40-4 > (S1824) AC; HC; PY > (S1824) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 1.5792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 0.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3500 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2542 0.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9625 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 9 8 2 0 0 0 0 7 5 1 0 0 0 0 M END > (S1828) S1828 > (S1828) methyl 7-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate > (S1828) 1086386-46-0 > (S1828) AC; HC; PY > (S1828) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4125 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3167 -1.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -1.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 14 1 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 10 2 0 0 0 0 17 3 1 0 0 0 0 18 5 1 0 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 9 8 2 0 0 0 0 5 7 1 0 0 0 0 10 11 1 0 0 0 0 M END > (S1829) S1829 > (S1829) 8-(hydroxymethyl)-1,3-dimethyl-8,9-dihydro-2H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazine-2,4,6(1H,3H)-trione > (S1829) 1086386-48-2 > (S1829) AC; HC; PY > (S1829) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 4.9000 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -3.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9875 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 10 2 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 6 1 0 0 0 0 18 10 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 9 7 2 0 0 0 0 5 4 1 0 0 0 0 11 15 2 0 0 0 0 M END > (S1846) S1846 > (S1846) 4-oxo-1-propyl-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxylic acid > (S1846) 1086386-69-7 > (S1846) AC; HC; PY > (S1846) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 5.2542 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9250 -2.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3417 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -4.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 10 2 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 6 1 0 0 0 0 18 10 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 9 7 2 0 0 0 0 5 4 1 0 0 0 0 11 15 2 0 0 0 0 M END > (S1847) S1847 > (S1847) 1-(2-methoxyethyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxylic acid > (S1847) 1086386-71-1 > (S1847) AC; HC; PY > (S1847) true $$$$ -ISIS- 11270914432D 20 23 0 0 0 0 0 0 0 0999 V2000 5.2542 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -2.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6375 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -3.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 5 2 0 0 0 0 16 8 1 0 0 0 0 17 11 2 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 11 1 0 0 0 0 9 6 2 0 0 0 0 12 13 1 0 0 0 0 7 5 1 0 0 0 0 14 18 2 0 0 0 0 M END > (S1848) S1848 > (S1848) 1-cyclopropyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxylic acid > (S1848) 1086386-73-3 > (S1848) AC; HC; PY > (S1848) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 5.2542 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9250 -2.6917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3417 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 10 2 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 6 1 0 0 0 0 18 10 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 9 7 2 0 0 0 0 5 4 1 0 0 0 0 11 15 2 0 0 0 0 M END > (S1849) S1849 > (S1849) 1-butyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxylic acid > (S1849) 1086386-75-5 > (S1849) AC; HC; PY > (S1849) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 5.6250 -5.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9375 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -7.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 13 1 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 2 5 1 0 0 0 0 10 9 2 0 0 0 0 M END > (S1889) S1889 > (S1889) 2-chloro-1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S1889) 315710-83-9 > (S1889) FL; HA; HC; PY > (S1889) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 5.6250 -5.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9375 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -7.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 17 13 2 0 0 0 0 18 17 1 0 0 0 0 2 5 1 0 0 0 0 18 10 2 0 0 0 0 M END > (S1890) S1890 > (S1890) 2-chloro-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S1890) 315710-85-1 > (S1890) FL; HA; HC; PY > (S1890) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 5.6292 -6.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6292 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -8.1542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -8.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 5 6 1 0 0 0 0 8 14 2 0 0 0 0 M END > (S1958) S1958 > (S1958) 1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrole > (S1958) 146135-21-9 > (S1958) FL; HC; PY > (S1958) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 5.6292 -5.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6292 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -7.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -8.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 11 1 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 M END > (S1959) S1959 > (S1959) 1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole > (S1959) 1692-00-8 > (S1959) FL; HC; PY > (S1959) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 6.4250 -5.4375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0917 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -8.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 5 4 1 0 0 0 0 11 9 2 0 0 0 0 M END > (S2008) S2008 > (S2008) 1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole > (S2008) 5044-27-9 > (S2008) HC; PY > (S2008) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 5.9750 -5.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3875 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -2.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 3 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 10 2 0 0 0 0 15 9 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 2 5 1 0 0 0 0 15 12 2 0 0 0 0 M END > (S2016) S2016 > (S2016) 1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile > (S2016) 931734-08-6 > (S2016) HC; PY > (S2016) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 7.2167 -6.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 8 2 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 5 4 1 0 0 0 0 11 14 2 0 0 0 0 M END > (S2030) S2030 > (S2030) [1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanamine > (S2030) 938121-64-3 > (S2030) AM; HC; PY > (S2030) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 2.0083 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.4833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9042 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.8167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 2.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 10 2 0 0 0 0 15 9 1 0 0 0 0 16 12 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 4 3 1 0 0 0 0 15 12 2 0 0 0 0 M END > (S3092) S3092 > (S3092) 1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethanone > (S3092) - > (S3092) HA; HC; PY > (S3092) true $$$$