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| "nc14": 1708, | |
| "nc1C": 1709, | |
| ".c18ccc7cc1": 1710, | |
| ".S(=O)(=O)": 1711, | |
| "[C@H](O)[C@@H]1O": 1712, | |
| "=O.O9": 1713, | |
| "=O.O=C": 1714, | |
| "=O.O6C": 1715, | |
| "=O.O4C": 1716, | |
| "c(=O)c5": 1717, | |
| ".[C@@H]9": 1718, | |
| "C2(C)C": 1719, | |
| "S(=O)(=O)C": 1720, | |
| "c4c(": 1721, | |
| "c4c5": 1722, | |
| "=O.c1(C)": 1723, | |
| "[C@@]24O": 1724, | |
| "[C@]12": 1725, | |
| ".N9%12": 1726, | |
| "NC(=O)[C@H]8": 1727, | |
| "NC(=O)[C@H](C)": 1728, | |
| ".O%10%11": 1729, | |
| "4CCCCC1": 1730, | |
| ".N%31": 1731, | |
| ".N%37": 1732, | |
| "O[C@H]5": 1733, | |
| "O[C@H]8": 1734, | |
| ".c1cc6": 1735, | |
| ".c1cc(F)": 1736, | |
| "%81": 1737, | |
| ".O%11%10": 1738, | |
| "ccc([N+](=O)[O-])": 1739, | |
| "[C@]2(C)[C@@H]": 1740, | |
| "cc(Cl)c1": 1741, | |
| "(=O)[C@H](N)": 1742, | |
| "c17ccccc1": 1743, | |
| ".N%41": 1744, | |
| "(=C)C": 1745, | |
| "c1=O.[C@H]1": 1746, | |
| ".C%49": 1747, | |
| "[n+]([O-])": 1748, | |
| "[C@](C)(O)": 1749, | |
| "c2ccccc2Sc2ccccc21": 1750, | |
| "S2(=O)=O": 1751, | |
| ".C1(C)(C)S[C@@H]2": 1752, | |
| "2H]": 1753, | |
| "3.C3": 1754, | |
| "4.c15": 1755, | |
| "4c(=O)n1": 1756, | |
| "69": 1757, | |
| "7.c16": 1758, | |
| "8F": 1759, | |
| "C(O)C(=O)O": 1760, | |
| "N6C": 1761, | |
| "O9": 1762, | |
| "O[C@@H](C)": 1763, | |
| "O35": 1764, | |
| "[P": 1765, | |
| "[2H]": 1766, | |
| "n(": 1767, | |
| "n6": 1768, | |
| "oc12": 1769, | |
| "c1c7": 1770, | |
| "CCCCN": 1771, | |
| ".C(CC": 1772, | |
| "(C%10C": 1773, | |
| "(=O)([O-])": 1774, | |
| "(=O)C1=C": 1775, | |
| ".c1ccc2": 1776, | |
| ".c1%22": 1777, | |
| ".N9C": 1778, | |
| ".O.Cl": 1779, | |
| ".O%18": 1780, | |
| "ccco1": 1781, | |
| "%10c1": 1782, | |
| "CCC6CC1": 1783, | |
| "[C@H]19": 1784, | |
| "(N)C2": 1785, | |
| "C16": 1786, | |
| "C1=4": 1787, | |
| ".C52": 1788, | |
| ".C13CC": 1789, | |
| ".C6CC": 1790, | |
| ".C6(=O)[C@@H]": 1791, | |
| ".N12": 1792, | |
| ".N17C": 1793, | |
| ".C7C(=O)O": 1794, | |
| ".C75=O": 1795, | |
| ".[C@H]%14": 1796, | |
| ".[C@H]%18": 1797, | |
| ".c14ccc3cc1": 1798, | |
| "(Cl)Cl": 1799, | |
| "CCN5": 1800, | |
| "CCN9CC1": 1801, | |
| ".C3(C)(C)C": 1802, | |
| ".C3(N)=O": 1803, | |
| "=O.N%10": 1804, | |
| "=O.N%17": 1805, | |
| "(=O)[C@@H]5": 1806, | |
| "C(=O)OC": 1807, | |
| "%15=O": 1808, | |
| ".C8(=O)O": 1809, | |
| "C(=O)N[C@@H](C)": 1810, | |
| "CCCC(=O)O": 1811, | |
| ".c16ccc(F)": 1812, | |
| "(=O)C8": 1813, | |
| ".C=9": 1814, | |
| ".[C@H]1(O)": 1815, | |
| ".c17ccc5cc1": 1816, | |
| ".n12": 1817, | |
| "c2cc(O)": 1818, | |
| ".C%109": 1819, | |
| "c(=O)n1C": 1820, | |
| "=O.C%16": 1821, | |
| ".[C@@H]%13": 1822, | |
| "[C@H]21": 1823, | |
| "[C@@H](O)CC(=O)[O-]": 1824, | |
| "C2O": 1825, | |
| "C34": 1826, | |
| "c5c4": 1827, | |
| "c2ccccc2CC": 1828, | |
| "c6n1": 1829, | |
| "c15ccc(Cl)cc1": 1830, | |
| "N2CC": 1831, | |
| ".N84": 1832, | |
| "NC(=O)[C@H]%13": 1833, | |
| "CCOC1": 1834, | |
| ".C2(F)(F)F": 1835, | |
| ".C2(C)=O": 1836, | |
| "cnc4": 1837, | |
| "ncc(C)": 1838, | |
| "ncc(F)": 1839, | |
| ".N%114": 1840, | |
| ".N%11%10": 1841, | |
| "[C@@H](C)C(=O)O": 1842, | |
| "c(F)cccc1F": 1843, | |
| ".c14ccccc1.Cl": 1844, | |
| "[C@@H](O)C[C@@H](O)CC(=O)[O-]": 1845, | |
| "O[C@H]4": 1846, | |
| "O[C@H](C)C": 1847, | |
| "%82": 1848, | |
| "%84": 1849, | |
| ".C5C8": 1850, | |
| "cn4": 1851, | |
| "CCC4CC1": 1852, | |
| ".N%46": 1853, | |
| ".N%13%12": 1854, | |
| "(O)CC(O)(CC(=O)O)C(=O)O": 1855, | |
| "N54": 1856, | |
| "N56": 1857, | |
| "[C@]3(O)C(=O)C": 1858, | |
| "[C@H](O)CO": 1859, | |
| "(=O)=O)cc1": 1860, | |
| "ccc2c(c1)CC": 1861, | |
| "ccc(N)cc1": 1862, | |
| "c(=O)n(C)": 1863, | |
| ".O%15C": 1864, | |
| "[n+]1": 1865, | |
| "C(=O)N2C(C": 1866, | |
| "(C(=O)O)C(O)C(=O)O": 1867, | |
| ".O=C(O)C=": 1868, | |
| "cccc(Cl)c1": 1869, | |
| "([N+](=O)[O-])c1": 1870, | |
| "c34)C[C@H]2": 1871, | |
| ".[C@]12(C)CCC(=O)C=": 1872, | |
| "c3cccc4[nH]": 1873, | |
| "8F]": 1874, | |
| ")C1": 1875, | |
| ")CC2": 1876, | |
| "3=O)": 1877, | |
| "4.c14ccccc1": 1878, | |
| "7O": 1879, | |
| "9C(=O)N": 1880, | |
| "C(F)(F)F": 1881, | |
| "N%12": 1882, | |
| "N(C)CC": 1883, | |
| "N(C)C1": 1884, | |
| "OC(=O)": 1885, | |
| "O24": 1886, | |
| "[Al]": 1887, | |
| "](=O)": 1888, | |
| "cc%12": 1889, | |
| "c1(N)": 1890, | |
| "c1[nH]": 1891, | |
| "c1=O.C": 1892, | |
| "CC)": 1893, | |
| ".C(O)": 1894, | |
| ".C%27": 1895, | |
| ".C%29": 1896, | |
| "(C)CCN1": 1897, | |
| ".c1%21": 1898, | |
| ".c1cc(C)": 1899, | |
| ".c1%28": 1900, | |
| "[C@@H]%14": 1901, | |
| "[C@H](C)[C@@H]": 1902, | |
| ".O%19": 1903, | |
| ".OP(=O)(O)O": 1904, | |
| ".O23": 1905, | |
| "ccc%14": 1906, | |
| "cccc1C": 1907, | |
| "c2c4": 1908, | |
| "c2c(C)": 1909, | |
| "(C)C)": 1910, | |
| "%23C": 1911, | |
| "CCC5CC1": 1912, | |
| "[C@H]14C": 1913, | |
| "[C@@H]16": 1914, | |
| "[C@@H]18": 1915, | |
| "[C@@H]1[C@@H]2": 1916, | |
| ".C16CC": 1917, | |
| ".N16C": 1918, | |
| ".C72": 1919, | |
| ".C48": 1920, | |
| ".C4(=O)CC": 1921, | |
| ".[C@H]%11": 1922, | |
| ".[C@H](N)": 1923, | |
| ".[C@H]%28": 1924, | |
| ".[C@H]%27": 1925, | |
| ".c14ccc2": 1926, | |
| ".c14cc2": 1927, | |
| ".c14ccc(F)cc1": 1928, | |
| ".C3C(C)C": 1929, | |
| ".c15ccc9": 1930, | |
| "=O.N%13": 1931, | |
| "C(=O)N(C)CC": 1932, | |
| "C(=O)N[C@@H]4": 1933, | |
| "c(c2": 1934, | |
| "c([O-])": 1935, | |
| "c(n2": 1936, | |
| "c(Br)": 1937, | |
| ".c16ccc4cc1": 1938, | |
| "(O)C7": 1939, | |
| ".C9(C)(C)C": 1940, | |
| ".c13cccc": 1941, | |
| ".[C@H]18": 1942, | |
| ".[C@H]16C": 1943, | |
| ".[C@H]14CC": 1944, | |
| "7CO": 1945, | |
| ".c17nc6": 1946, | |
| ".[C@@H]1%12": 1947, | |
| "N1C(=O)": 1948, | |
| "c2cc6": 1949, | |
| "c2cc7": 1950, | |
| "nc16": 1951, | |
| ".C%108": 1952, | |
| ".c18ccc9cc1": 1953, | |
| "[C@H](O)C1=C": 1954, | |
| "[C@H](O)[C@H](C)O1": 1955, | |
| "=O.O8": 1956, | |
| "=O.C%11C": 1957, | |
| ".[C@@H]%10": 1958, | |
| "C4=O": 1959, | |
| "C4(F)(F)F": 1960, | |
| "[C@@H](O)[C@H]": 1961, | |
| "[C@@H]2CCC3": 1962, | |
| "C2=O)": 1963, | |
| "S(=O)(=O)CC": 1964, | |
| ".c19cccc": 1965, | |
| ".N73": 1966, | |
| ".N7(C)C": 1967, | |
| "c(C)cccc1C": 1968, | |
| "=O.c1%17": 1969, | |
| "=O.c1%31": 1970, | |
| "[C@@H]3O1": 1971, | |
| "c6cc2": 1972, | |
| ".N89": 1973, | |
| ".N9(C)C": 1974, | |
| "NC(=O)[C@H]4": 1975, | |
| "NC(=O)[C@H]%10": 1976, | |
| "CCO2": 1977, | |
| "c1ccc5cc1": 1978, | |
| "c12ccccc1": 1979, | |
| ".C%12(C)C": 1980, | |
| ".N%104": 1981, | |
| ".O59": 1982, | |
| ".N%117": 1983, | |
| "(C)(C)N": 1984, | |
| ".N%38": 1985, | |
| ".c1cc4": 1986, | |
| ")O2": 1987, | |
| ".O%119": 1988, | |
| "ccc(I)": 1989, | |
| ".c1(C)ncc": 1990, | |
| "/C=C/C": 1991, | |
| "(=O)[O-])N2C(=O)": 1992, | |
| "cc(Cl)c(N)": 1993, | |
| "cc(Cl)ccc12": 1994, | |
| ".O%129": 1995, | |
| ".C%33": 1996, | |
| ".C%34": 1997, | |
| "c1ccccc1S2": 1998, | |
| "OC(C)(C)O": 1999, | |
| ".c1%11ccccc1": 2000, | |
| "ccc2c(c1)C": 2001, | |
| ".N%40": 2002, | |
| "cc(I)": 2003, | |
| ".C%14(=O)[C@@H]": 2004, | |
| "CCCN3": 2005, | |
| ".[N+]3": 2006, | |
| "[C@H](N)C": 2007, | |
| "nc(N)nc21": 2008, | |
| "[C@H]7C(=O)N2": 2009, | |
| "N78": 2010, | |
| "N45": 2011, | |
| "O58": 2012, | |
| ".c14ccccn1": 2013, | |
| ".c14cccc3c1": 2014, | |
| "[C@@H](C)C1": 2015, | |
| "/C(=N/": 2016, | |
| "N67": 2017, | |
| ".c1ccccc15": 2018, | |
| ".c1(N)nc": 2019, | |
| "[C@](C)(N)": 2020, | |
| "(CCC(=O)O)C(=O)O": 2021, | |
| "c2ccccc2Sc2ccc(Cl)cc21": 2022, | |
| ".S3(=O)(=O)c1ccc(N)cc1": 2023, | |
| "[C@H]2SC1(C)C": 2024, | |
| "C1=C(C(=O)O)N2C(=O)": 2025, | |
| "ncn25": 2026, | |
| "ccc(Br)cc1": 2027, | |
| "[C@H](F)C4": 2028, | |
| "[C@@]12F": 2029, | |
| "[18F]": 2030, | |
| "(C)NC(C)=C(C": 2031, | |
| "[Al](O)O": 2032, | |
| "2O": 2033, | |
| "3.C4": 2034, | |
| "54": 2035, | |
| "56": 2036, | |
| "67": 2037, | |
| "6C1": 2038, | |
| "9.C%10": 2039, | |
| "=%10": 2040, | |
| "C(C": 2041, | |
| "C%13": 2042, | |
| "N5C": 2043, | |
| "O8C": 2044, | |
| "O1C": 2045, | |
| "S4": 2046, | |
| "ncc2c1": 2047, | |
| "oc2ccccc2": 2048, | |
| "sc1": 2049, | |
| "CC[C@H]": 2050, | |
| "(C2)": 2051, | |
| "(C3)": 2052, | |
| "(=O)NC(=O)": 2053, | |
| "(C)cc1": 2054, | |
| ".c1%19": 2055, | |
| ".N8C": 2056, | |
| ".N%28": 2057, | |
| ".OC(=O)": 2058, | |
| "O)[C@H](O)": 2059, | |
| "(O)(O)O": 2060, | |
| "(O)=C(C": 2061, | |
| "c2n": 2062, | |
| "c2ccc(F)": 2063, | |
| "c2ccc3": 2064, | |
| "c2ccc(": 2065, | |
| "(C)C(F)(F)F": 2066, | |
| "n19": 2067, | |
| "CCC=": 2068, | |
| "CCC[C@H]2": 2069, | |
| "CCC(N)=O": 2070, | |
| "(N)CC1": 2071, | |
| "C123C(=O)N": 2072, | |
| "[C@@H]1%11": 2073, | |
| ".C53=O": 2074, | |
| ".C1CO": 2075, | |
| ".C14CC1": 2076, | |
| ".C6CO": 2077, | |
| ".C65=O.N": 2078, | |
| ".N1%13": 2079, | |
| ".N14CC": 2080, | |
| ".C7O": 2081, | |
| ".C7C5": 2082, | |
| ".C74=O": 2083, | |
| ".C47=O": 2084, | |
| ".[C@H]%19": 2085, | |
| ".[C@H]%22": 2086, | |
| ".C3CO": 2087, | |
| ".C3(=O)CC": 2088, | |
| ".c15ccc(Cl)cc1": 2089, | |
| ".c15ccc8cc1": 2090, | |
| "[C@]8": 2091, | |
| "nc2ccccc12": 2092, | |
| ".C8O": 2093, | |
| "C(=O)NC1=O.C": 2094, | |
| ".c16nc2": 2095, | |
| ".c16ccc(F)cc1": 2096, | |
| ".C=7C": 2097, | |
| "(O)C8": 2098, | |
| ".C93": 2099, | |
| ".C96": 2100, | |
| ".C9(F)(F)F": 2101, | |
| ".c13ccc6cc1": 2102, | |
| ".[C@H]1%10": 2103, | |
| ".[C@H]18C": 2104, | |
| ".c17n": 2105, | |
| ".c17ccc(Cl)cc1": 2106, | |
| ".[C@@H]1%11": 2107, | |
| ".[C@@H]1%13": 2108, | |
| ".Cl.c13ccccc1": 2109, | |
| "%16=O": 2110, | |
| ".n19": 2111, | |
| ".n1%11": 2112, | |
| "nc15": 2113, | |
| "(CC(N)=O)": 2114, | |
| ".C%107": 2115, | |
| "ccc19": 2116, | |
| ".c18ccc2": 2117, | |
| ".S(C)(=O)": 2118, | |
| "[C@H](O)[C@H](O)": 2119, | |
| "=O.O=": 2120, | |
| "=O.C%19": 2121, | |
| "9C(C)C": 2122, | |
| ".[C@@H]%22": 2123, | |
| "[C@H]2O": 2124, | |
| "(C)(C)C1": 2125, | |
| "c4c(O)": 2126, | |
| ".C%11%10": 2127, | |
| ".C%11(=O)[C@@H]": 2128, | |
| "c(C)c2": 2129, | |
| "=O.c1%12": 2130, | |
| "=O.c1%14": 2131, | |
| "C64": 2132, | |
| "C6(F)(F)F": 2133, | |
| "[C@@]2(O)C": 2134, | |
| "N24": 2135, | |
| "NC(=O)[C@H]5": 2136, | |
| "NC(=O)[C@H]%11": 2137, | |
| "NC(=O)[C@H]%12": 2138, | |
| "C=3C": 2139, | |
| "[C@H]3[C@@H](O)C[C@@]21C": 2140, | |
| ".N%107": 2141, | |
| ".N%10(C)C": 2142, | |
| "cccc2[nH]": 2143, | |
| ".O65": 2144, | |
| ".N%11%12": 2145, | |
| "c1cc8": 2146, | |
| "c[nH]c2": 2147, | |
| "c2c1C": 2148, | |
| "cc(C)c(N)": 2149, | |
| "[C@@H](O)C[C@H](O)C1=C": 2150, | |
| ".O86": 2151, | |
| "(=O)[O-].[Na+]": 2152, | |
| ".O75": 2153, | |
| ".c1cc5": 2154, | |
| ".c1cc7": 2155, | |
| "%88": 2156, | |
| ".O%115": 2157, | |
| "[C@]23": 2158, | |
| "/C=C(\\C)": 2159, | |
| ".N%126": 2160, | |
| ".N%12%11": 2161, | |
| ".O9%12": 2162, | |
| ".C%31": 2163, | |
| ".C%39": 2164, | |
| ".c15ccccc1F": 2165, | |
| "cn6": 2166, | |
| "cnn2": 2167, | |
| "O[C@@H]5": 2168, | |
| "(C=4": 2169, | |
| ".N%43": 2170, | |
| "cc(c34)C[C@H]2": 2171, | |
| ".C%14C": 2172, | |
| "(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC": 2173, | |
| "c9c1": 2174, | |
| ".[N+](=O)([O-])": 2175, | |
| "[C@@]3(C)C[C@H](O)": 2176, | |
| "P(=O)([O-])[O-]": 2177, | |
| "CCCN14": 2178, | |
| "[C@@H]1C[C@H]1": 2179, | |
| "%90": 2180, | |
| "%91": 2181, | |
| "CCC[C@H]17": 2182, | |
| "[C@H](C)[C@H](O)": 2183, | |
| ".N17CCOCC1": 2184, | |
| ".[C@@]17": 2185, | |
| ".C%43": 2186, | |
| "O57": 2187, | |
| ".O34": 2188, | |
| "N87": 2189, | |
| "O46": 2190, | |
| "O47": 2191, | |
| "c(I)c1": 2192, | |
| ".N354": 2193, | |
| "[C@@H]2CC[C@H]1C": 2194, | |
| "P(=O)([O-])OP(=O)([O-])O": 2195, | |
| "c3c(c(O)c2": 2196, | |
| "(C2=N": 2197, | |
| ".C5CCl": 2198, | |
| ".c1%14ccccc1": 2199, | |
| "C1=C(C(=O)[O-])N2C(=O)": 2200, | |
| ".OC(C)=O": 2201, | |
| "=C21": 2202, | |
| "c2cccnc21": 2203, | |
| "S1(=O)=O": 2204, | |
| "=O.c12ccccc1": 2205, | |
| ".c1%16ccccc1": 2206, | |
| "c1ccc3cc1": 2207, | |
| "c2c(O)c3c(c(O)c2": 2208, | |
| "cc2c(cc1Cl)": 2209, | |
| ".C(#C)[C@]1": 2210, | |
| "(c1ccccc1)": 2211, | |
| "c([N+](=O)[O-])c1": 2212, | |
| "[C@@]215": 2213, | |
| "(C(N)=O)=C(O)[C@@H]4": 2214, | |
| "/N=C/": 2215, | |
| ".S(=O)(=O)(O)O": 2216, | |
| "c3cccc4[nH]cc(c34)C[C@H]2": 2217, | |
| ".S(C)(=O)(=O)O": 2218, | |
| "(Br)": 2219, | |
| ")-": 2220, | |
| ".[nH]1": 2221, | |
| "2=C": 2222, | |
| "3.O4C": 2223, | |
| "8.C9": 2224, | |
| "9.C%13": 2225, | |
| "=5C": 2226, | |
| "=4C": 2227, | |
| "=N1": 2228, | |
| "O23": 2229, | |
| "S5": 2230, | |
| "\\C": 2231, | |
| "c%14": 2232, | |
| "n7": 2233, | |
| "sc2": 2234, | |
| "cc%13": 2235, | |
| "c1%11": 2236, | |
| "c1(Cl)": 2237, | |
| "c1c6": 2238, | |
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| ".N8 6", | |
| "C= 3", | |
| "c8 c1", | |
| ".N2 4", | |
| "cs c(N)n1", | |
| "ccc(N)nc1 =O", | |
| "P([O-]) (=S)O", | |
| "+2 ]", | |
| "4 cc1", | |
| "9 c1", | |
| "= 2", | |
| "C %12", | |
| "N 9", | |
| "N C1=O", | |
| "S [C@H]12", | |
| "c (C=", | |
| "n n2", | |
| "CC (=O)[O-]", | |
| ".C (N)", | |
| ".C (=C)", | |
| "(C) =C(C", | |
| ".N %18", | |
| "[C@@H] %10", | |
| "[C@H] 5C", | |
| "cccc 5c1", | |
| "n1 4", | |
| "[C@H]1 5", | |
| ".C5 3", | |
| ".C1 4CC", | |
| ".[C@H] %10", | |
| ".C8 (=O)C", | |
| "(O)C O", | |
| "(CC (N)=O)C", | |
| "ccc1 4", | |
| "C3 O", | |
| ".N6 4", | |
| ".N7 9", | |
| "c6 c1", | |
| ".O9 7", | |
| ".N2 5", | |
| ". [O-]", | |
| "N =C(", | |
| "c %12", | |
| "n cccc1", | |
| ".C %22", | |
| "(C 3", | |
| ".N %19", | |
| "CCC 6", | |
| "CCC 7CC1", | |
| "[C@@H]1 5", | |
| ".C6 (C)(C)C", | |
| ".C6 8=O", | |
| ".C7 C6", | |
| "ccc2 ccccc2", | |
| ".C4 O", | |
| "=O.N 8", | |
| ".[C@H]1 7", | |
| "=O.C %11", | |
| "=O.C %12", | |
| ".[C@@H] 6", | |
| ".N9 7", | |
| ".N9 %10", | |
| "CCO 1", | |
| "[C@@]1 2C", | |
| "(C)(C) C(=O)O", | |
| "[C@@H](O)C [C@@]21C", | |
| ".O8 9", | |
| ".O8 %12", | |
| "cnc2 c(N)ncnc21", | |
| ".N%3 0", | |
| "ccc( Br)", | |
| "[C@]2 (C)", | |
| "[C@@H](C)O 1", | |
| "cc( Br)", | |
| "[C@H]2[C@@H]3CCC4 =CC(=O)CC", | |
| "(=S )", | |
| "2 .C4", | |
| "K +]", | |
| "N 35", | |
| ".N 2C", | |
| "[C@H] (F)", | |
| "ccc (C=", | |
| "c2 c(c1", | |
| "(N) =O.O", | |
| "C1 (C)C", | |
| "nc (", | |
| "nc %11", | |
| ".C5 O", | |
| ".C5 C4", | |
| ".C1 6CC1", | |
| ".C6 5=O", | |
| ".C4 6=O", | |
| ".[C@H] %15", | |
| "=O.N 9", | |
| "(=O)[C@@H] %6", | |
| ".C= 6C", | |
| ".C9 %10", | |
| ".C9 (=O)[C@@H]", | |
| "N1 6", | |
| ".n1 8", | |
| "ccc1 8", | |
| "ccc1 Cl", | |
| "=O.C %14", | |
| "S(=O) (=O)[O-])", | |
| "%7 6", | |
| "%21 C", | |
| ".N3 6", | |
| ".N9 5", | |
| "CCC1 CC2", | |
| ".C2 (C)C", | |
| "[C@@]1 2", | |
| ".N%11 6", | |
| "(CCC (N)=O)C", | |
| ".C=4 C(=O)O", | |
| "3 O", | |
| "6 cc1", | |
| "O =", | |
| "O 7C", | |
| "n 4", | |
| "n cc2", | |
| "o n1", | |
| "CC (=O)N", | |
| "=O) [C@@H](C)CC", | |
| ".c1 (", | |
| ".c1 (=O)", | |
| ".N 6C", | |
| ".O %16", | |
| ".O C(=O)C=", | |
| "ccc %12", | |
| "[C@H]1 6", | |
| ".C1 2", | |
| ".C1 9", | |
| ".C1 (C)(C)", | |
| ".N1 7CC", | |
| "ccc2 c1", | |
| ".C4 6", | |
| ".C4 (=O)[C@@H]", | |
| "=O.N %12", | |
| ".C8 5", | |
| ".C8 (F)(F)F", | |
| ".c13 ccc(Cl)cc1", | |
| ".[C@H]1 9", | |
| ".[C@H]1 4C", | |
| ".[C@@H]1 4C", | |
| ".C%10 (=O)C", | |
| "ccc1 7", | |
| "ccc1 O", | |
| "=O.O %11", | |
| "c(=O) c2", | |
| ".[C@@H] 7", | |
| ".N7 4", | |
| "C5 =O", | |
| "cnc (N)", | |
| "c(Cl) cccc1Cl", | |
| ".O7 6", | |
| ".O7 9", | |
| "[C@@H]4 [C@H]3CC", | |
| ".O9 8", | |
| ".O= C1", | |
| "P(=O)([O-]) S", | |
| "[C@H]2[C@@H]3 CC", | |
| ".O=S(=O) (O)O", | |
| "2 (C)C", | |
| "3 4", | |
| "4 6", | |
| "7 6", | |
| "7 .c15", | |
| "8 .c19", | |
| "O C1", | |
| "n cccn1", | |
| "cc (=O)", | |
| "c1 ccc(Cl)cc1", | |
| "CC (N)", | |
| ".C (C", | |
| ".C %26", | |
| ".c1 (O)", | |
| ".c1 cc2", | |
| ".c1 %18", | |
| ".c1 cccc2", | |
| ".N %2", | |
| ".N 3C", | |
| ".N %25", | |
| ".N %26", | |
| "[C@@H] %12", | |
| "[C@@H] 5C", | |
| "[C@@H] 7C", | |
| "[C@H] %12", | |
| "(O) (C", | |
| "cc1 C", | |
| "nc 9", | |
| ".C1 (=O)N", | |
| ".C7 9", | |
| ".[C@H] %12", | |
| "[nH] n1", | |
| ".C3 4=O", | |
| "[C@@] 5", | |
| ".C8 (C)C", | |
| ".[C@H]1 4", | |
| ".[C@H]1 5CC", | |
| "N1 C", | |
| ".c18 cc", | |
| ".S 7", | |
| "NC(=O) C", | |
| "%7 9", | |
| "[C@@H]3 O", | |
| "[C@@]2 (O)", | |
| "N2 3", | |
| "c1ccc 3", | |
| "cccc2 ccccc12", | |
| ".O6 7", | |
| ".N%11 5", | |
| "=CC (=O)C", | |
| "c(N) nc21", | |
| "c1cc 6", | |
| "(=O)O) N2C(=O)", | |
| ".O8 7", | |
| "cnc2 c(=O)[nH]", | |
| ".O7 %11", | |
| "%8 0", | |
| "(C# C", | |
| "ccc( S", | |
| ".O9 6", | |
| "cn (C)", | |
| "[C@H](N) C(=O)O", | |
| ".N2 (C)C", | |
| "N5 8", | |
| "(CC(C)C )", | |
| "(CC(=O)O) C", | |
| "S(C)(=O) =O", | |
| ".C=3 C(=O)O", | |
| "C(=O)N2C (C(=O)O)", | |
| "c2ccc(Cl) cc21", | |
| ")OCO 2", | |
| "[C@@](C) (O)", | |
| "cnc2c(=O)[nH] c(N)nc21", | |
| ") C(=O)N", | |
| "5 cc1", | |
| "5 .c15", | |
| "@ @", | |
| "O 4C", | |
| "[ 1", | |
| "a +2]", | |
| "c (C#N)", | |
| "n nc2", | |
| ".C %16C", | |
| ".N %22", | |
| "[C@H] %13", | |
| ".O %17", | |
| "%10 8", | |
| "C(=O) C2", | |
| "c2 cccc", | |
| "C1 4", | |
| "C1 =O.C", | |
| "[C@@H]1 3", | |
| "[C@@H]1 [C@@H]2CC", | |
| "CC1 (C)C", | |
| ".C5 C6", | |
| ".C5 8=O", | |
| ".C6 8", | |
| ".C6 C4", | |
| ".C6 7=O", | |
| ".C7 %11=O", | |
| "[N -]", | |
| ".[C@H]1 6", | |
| ".[C@@H]1 6C", | |
| ".[C@@H]1 7C", | |
| "N1 5", | |
| "c2cc (Cl)", | |
| "nc1 N", | |
| "[C@H](O) CC", | |
| "c3 4", | |
| "S(=O) (=O)O)", | |
| ".[Na+] .O", | |
| ".N4 5", | |
| "%7 4", | |
| "[C@@H]3 CC", | |
| "N2 CCC1CC2", | |
| ".N8 %10", | |
| "C= 4", | |
| "c(O) c2", | |
| "P(=O) (O)", | |
| "cnc 5", | |
| ".N%10 6", | |
| ".N%11 9", | |
| ".N%3 4", | |
| ".O%12 %11", | |
| ".C%3 0", | |
| "[C@@]3 (F)", | |
| "[C@]3 (C)", | |
| "ncnc2 [nH]", | |
| "N7 5", | |
| ".[C@]12 (C)CC", | |
| "=CC(=O)C =C1", | |
| "# CC", | |
| ") CC", | |
| "4 .C3", | |
| "5 8", | |
| "5 =O)", | |
| "6 8", | |
| "6 .C8", | |
| "A l", | |
| "C %11", | |
| "\\ C)", | |
| "c1 O", | |
| "c1 .c14", | |
| "=O .[C@@H]", | |
| ".c1 %17", | |
| ".c1 cccc2c1", | |
| "[C@@H] 8C", | |
| "[C@H] 6C", | |
| "[C@H] 7C", | |
| "ccc %13", | |
| "ccc (=O)[nH]", | |
| "(O) (CC(=O)O)C(=O)O", | |
| "cccc 7c1", | |
| "c2 c(O)", | |
| "c2 ccc4", | |
| "cc1 4", | |
| "cc1 5", | |
| "n1 2", | |
| "C1 =", | |
| "[C@@H]1 CC", | |
| ".C5 C(=O)O", | |
| ".C5 4=O", | |
| ".C5 7=O", | |
| ".C1 =", | |
| ".C1 5CC", | |
| ".N1 %12", | |
| "ccc2 [nH]1", | |
| "[n -]", | |
| "CCN 4CC1", | |
| ".C8 7", | |
| "(=O)C O", | |
| ".C= 8", | |
| ".C= 5C", | |
| "(O)C 5", | |
| "(O)C 6", | |
| ".[C@H]1 5", | |
| "3C O", | |
| "%16 =O.N", | |
| ".[C@@H] (C)", | |
| "%7 3", | |
| "%7 5", | |
| "%7 8", | |
| ".N9 4", | |
| ")C [C@H]2", | |
| "nn n[nH]1", | |
| "c1cc 4", | |
| "c7 c1", | |
| ".c1%10 ccccc1", | |
| ".O7 8", | |
| ".O%12 %10", | |
| "cccc1 F", | |
| ".[ K+]", | |
| ".O%14 C", | |
| ".[C a+2]", | |
| "Al ]", | |
| "( O", | |
| ". CC", | |
| "3 .c13", | |
| "4 .O", | |
| "7 C1", | |
| "9 =O)", | |
| "9 =O.O", | |
| "N %13", | |
| "N 65", | |
| "c nc12", | |
| "n 8", | |
| "n o1", | |
| ".C %24", | |
| ".C (C)(C)", | |
| "(C) [C@@H](O)", | |
| "(C) NC", | |
| "[C@@H] %11", | |
| "[C@H] 8C", | |
| "[C@H] (C)CC", | |
| "(O) c1", | |
| "C(=O) c1", | |
| "(C)C =CC(=O)C=C1", | |
| "C1 2", | |
| "[C@@H]1 N", | |
| "nc n1", | |
| "nc %12", | |
| "=C 3", | |
| "=C (N)", | |
| ".C5 (N)=O", | |
| ".C5 (=O)CC", | |
| ".C6 9=O", | |
| ".C7 (C)=O", | |
| ".C4 3", | |
| ".C4 (C)(C)C", | |
| ".C4 5=O", | |
| ".c14 cc", | |
| ".c14 ccc5cc1", | |
| ".C3 C(=O)O", | |
| ".C3 (C)=O", | |
| ".c15 ccc6cc1", | |
| "2C (=N)N", | |
| "CCCC CCCCC", | |
| ".C= %11", | |
| "(O)C 4", | |
| ".C9 8", | |
| ".c17 ccc2", | |
| "N1 7", | |
| ".C%10 4", | |
| ".C%10 (=O)[C@@H]", | |
| ".S %10", | |
| "NC(=O) [C@@H]2", | |
| "=O.C %13", | |
| "[C@@H](O) [C@@H]1O", | |
| "[C@@H]2 1", | |
| "[C@@H]2 C1", | |
| ".C%11 7", | |
| "ccc(Cl) c(Cl)c1", | |
| "%7 7", | |
| "=O.c1 %11", | |
| ".N3 2", | |
| "(=N) N)", | |
| ".N9 6", | |
| "CO C(=O)", | |
| "NC(=O)[C@H] 6", | |
| "c1ccc (", | |
| "C= 5", | |
| ".O%10 8", | |
| "cnc 3", | |
| "c1cc 5", | |
| "c1cc 7", | |
| "[C@@H](C) C(=O)", | |
| ".O8 %10", | |
| "[N+] (=O)[O-]", | |
| ".N%3 9", | |
| ")O C", | |
| ".O9 %10", | |
| "C(=O)N[C@@H] 8", | |
| ".O= S(C)(=O)O", | |
| ".C(=O) (O)", | |
| "[C@@H](O)[C@H](O) [C@H]1O", | |
| "cc2c(cc1 C", | |
| "23 C(=O)N", | |
| "cnn (C)c1", | |
| "[S +]([O-])", | |
| "ccc(C#N) cc1", | |
| ".C(# N)", | |
| ".C(# C)", | |
| "cccc(F) c1", | |
| "C1=N CCN1", | |
| "[C@]4(C)[C@H]3CC [C@]12C", | |
| "=CC(=O)C=C[C@]4(C) [C@@]3(F)", | |
| "[C@@]2(C) [C@H]1CC", | |
| "[C@H]2CC [C@@H](C", | |
| "ccc%11 cc1", | |
| "( c1ccccc1", | |
| "7 8", | |
| "7 .C1", | |
| "O %10", | |
| "S 6", | |
| "S 8", | |
| "c1 (C)", | |
| ".C %28", | |
| "[C@H] (CC", | |
| "%10 CC", | |
| "c2 ccc5", | |
| "cc1 6", | |
| "cc1 8", | |
| "[C@H]1 8", | |
| "[C@H]1 N", | |
| "[C@H]1 5CC", | |
| ".C5 8", | |
| "%13 =O", | |
| ".C6 (N)=O", | |
| ".C7 CC", | |
| ".C7 (C)(C)C", | |
| "%14 =O", | |
| ".c14 ccc(Cl)cc1", | |
| "CCN 2", | |
| "CCN 3", | |
| "CCN %11CC1", | |
| ".c15 ccc2", | |
| ".c15 ccc(O)cc1", | |
| "=O.N 3", | |
| "(=O)[C@@H] %15", | |
| "(=O)[C@@H] 8C", | |
| "nc2 c(", | |
| ".C8 CC", | |
| "C(=O)N C1=O", | |
| "c( [N+](=O)[O-])", | |
| ".c16 ccc(Cl)cc1", | |
| "(O)C 3", | |
| "(O)C (O)C(=O)O", | |
| ".c17 cccc", | |
| ".[C@@H]1 3", | |
| ".[C@@H]1 8", | |
| "N1 2", | |
| "N1 8", | |
| "N1 9", | |
| ".C%10 5", | |
| ".C%10 (=O)O", | |
| ".S (N)", | |
| "c3 cccc4", | |
| "c(=O) n2", | |
| "[C@@H](O) [C@@H](C)", | |
| ".N5 3", | |
| ".N5 9", | |
| "/C (C)=C", | |
| "[C@@]2 1", | |
| "[C@@]2 (C)[C@@H]", | |
| ".N8 (C)C", | |
| "c1ccc 7", | |
| ".c12 ccc(Cl)cc1", | |
| ")C N", | |
| "cnc (C)", | |
| "cnc n1", | |
| ".N%10 5", | |
| "cccc2 1", | |
| "c16 ccccc1", | |
| "O[C@H] 6", | |
| "%8 3", | |
| ".N16 CCOCC1", | |
| "/C=C \\", | |
| "OC )", | |
| "ccc2c(c1 )OCO2", | |
| ".C%15 C", | |
| "cc(F) c1", | |
| "C(=O)N1 2", | |
| ".N19 CCN(C)CC1", | |
| "nn1 C", | |
| "cc(O) cc(O)", | |
| ".[C@@]1 2", | |
| "ccc(C) cc1", | |
| ".C5(=O)C 6", | |
| ".c1cccc 7c1", | |
| ".C4(=O)C 5", | |
| "cccc4 c1", | |
| "(C(N)=O) =C(O)", | |
| "ccc2ccccc2 c1", | |
| "CC(N) (CO)CO", | |
| "( \\C)", | |
| "/ N=C", | |
| "4 3", | |
| "4 c1", | |
| "6 .C%13", | |
| "N %11", | |
| "N (C)C(=O)", | |
| "O %11", | |
| "O %12", | |
| "c %13", | |
| "n 3", | |
| "n 5", | |
| "n s", | |
| "cc n1", | |
| "cc 2C", | |
| "c1 ccc2", | |
| "CC l", | |
| ".C %25", | |
| "(C %2", | |
| "(=O) CCCCCCCC", | |
| "(C) (C)CC", | |
| ".c1 %20", | |
| ".c1 (=O)[nH]", | |
| ".N 7C", | |
| ".N %29", | |
| "[C@H] %15", | |
| ".O 2", | |
| ".O 24", | |
| "ccc (C", | |
| "(O) CC1", | |
| "(O) C(=O)C", | |
| "c2 ncn", | |
| "(C)C 4", | |
| "(C)C [C@H](O)", | |
| "cc1 9", | |
| "CCC 5", | |
| "[C@H]1 7", | |
| "C1 5", | |
| "[C@@H]1 4C", | |
| ".C1 (=O)C", | |
| ".C1 5CC1", | |
| ".C1 8CC1", | |
| ".C6 3", | |
| ".C6 C(=O)O", | |
| ".C6 4=O", | |
| ".C7 6=O", | |
| "CCN 1C", | |
| ".c15 cc4", | |
| "=O.N 7", | |
| "=O.N %11", | |
| "(=O)[C@@H] %13", | |
| "(=O)[C@@H] %14", | |
| "(=O)[C@@H] 6C", | |
| ".C8 4", | |
| ".C8 9", | |
| ".C8 %12", | |
| ".C8 (C)(C)C", | |
| "C(=O)N (C)", | |
| "2C )", | |
| ".c16 cccc", | |
| ".c16 ccc2", | |
| ".c16 ccc7cc1", | |
| "cc2 )", | |
| ".C9 (=O)C", | |
| ".[C@H]1 5C", | |
| ".[C@H]1 7C", | |
| "3C (=N)N", | |
| ".c17 ncc", | |
| ".[C@@H]1 7CC", | |
| "N1 3", | |
| "nc1 4", | |
| "nc1 C", | |
| ".c18 ccc7cc1", | |
| ".S (=O)(=O)", | |
| "[C@H](O) [C@@H]1O", | |
| "=O.O 9", | |
| "=O.O =C", | |
| "=O.O 6C", | |
| "=O.O 4C", | |
| "c(=O) c5", | |
| ".[C@@H] 9", | |
| "C2 (C)C", | |
| "S(=O) (=O)C", | |
| "c4 c(", | |
| "c4 c5", | |
| "=O.c1 (C)", | |
| "[C@@]2 4O", | |
| "[C@]1 2", | |
| ".N9 %12", | |
| "NC(=O)[C@H] 8", | |
| "NC(=O)[C@H] (C)", | |
| ".O%10 %11", | |
| "4CC CCC1", | |
| ".N%3 1", | |
| ".N%3 7", | |
| "O[C@H] 5", | |
| "O[C@H] 8", | |
| ".c1cc 6", | |
| ".c1cc (F)", | |
| "%8 1", | |
| ".O%11 %10", | |
| "ccc( [N+](=O)[O-])", | |
| "[C@]2 (C)[C@@H]", | |
| "cc(Cl) c1", | |
| "(=O)[C@H] (N)", | |
| "c17 ccccc1", | |
| ".N%4 1", | |
| "(=C )C", | |
| "c1=O .[C@H]1", | |
| ".C%4 9", | |
| "[n+] ([O-])", | |
| "[C@](C) (O)", | |
| "c2ccccc2S c2ccccc21", | |
| "S2 (=O)=O", | |
| ".C1(C)(C) S[C@@H]2", | |
| "2 H]", | |
| "3 .C3", | |
| "4 .c15", | |
| "4 c(=O)n1", | |
| "6 9", | |
| "7 .c16", | |
| "8 F", | |
| "C (O)C(=O)O", | |
| "N 6C", | |
| "O 9", | |
| "O [C@@H](C)", | |
| "O 35", | |
| "[ P", | |
| "[ 2H]", | |
| "n (", | |
| "n 6", | |
| "o c12", | |
| "c1 c7", | |
| "CC CCN", | |
| ".C (CC", | |
| "(C %10C", | |
| "(=O) ([O-])", | |
| "(=O) C1=C", | |
| ".c1 ccc2", | |
| ".c1 %22", | |
| ".N 9C", | |
| ".O .Cl", | |
| ".O %18", | |
| "ccc o1", | |
| "%10 c1", | |
| "CCC 6CC1", | |
| "[C@H]1 9", | |
| "(N) C2", | |
| "C1 6", | |
| "C1 =4", | |
| ".C5 2", | |
| ".C1 3CC", | |
| ".C6 CC", | |
| ".C6 (=O)[C@@H]", | |
| ".N1 2", | |
| ".N1 7C", | |
| ".C7 C(=O)O", | |
| ".C7 5=O", | |
| ".[C@H] %14", | |
| ".[C@H] %18", | |
| ".c14 ccc3cc1", | |
| "(Cl) Cl", | |
| "CCN 5", | |
| "CCN 9CC1", | |
| ".C3 (C)(C)C", | |
| ".C3 (N)=O", | |
| "=O.N %10", | |
| "=O.N %17", | |
| "(=O)[C@@H] 5", | |
| "C(=O)O C", | |
| "%15 =O", | |
| ".C8 (=O)O", | |
| "C(=O)N [C@@H](C)", | |
| "CCCC (=O)O", | |
| ".c16 ccc(F)", | |
| "(=O)C 8", | |
| ".C= 9", | |
| ".[C@H]1 (O)", | |
| ".c17 ccc5cc1", | |
| ".n1 2", | |
| "c2cc (O)", | |
| ".C%10 9", | |
| "c(=O) n1C", | |
| "=O.C %16", | |
| ".[C@@H] %13", | |
| "[C@H]2 1", | |
| "[C@@H](O) CC(=O)[O-]", | |
| "C2 O", | |
| "C3 4", | |
| "c5 c4", | |
| "c2ccccc2 CC", | |
| "c6 n1", | |
| "c15 ccc(Cl)cc1", | |
| "N2 CC", | |
| ".N8 4", | |
| "NC(=O)[C@H] %13", | |
| "CCO C1", | |
| ".C2 (F)(F)F", | |
| ".C2 (C)=O", | |
| "cnc 4", | |
| "ncc (C)", | |
| "ncc (F)", | |
| ".N%11 4", | |
| ".N%11 %10", | |
| "[C@@H](C) C(=O)O", | |
| "c(F) cccc1F", | |
| ".c14ccccc1 .Cl", | |
| "[C@@H](O)C [C@@H](O)CC(=O)[O-]", | |
| "O[C@H] 4", | |
| "O[C@H] (C)C", | |
| "%8 2", | |
| "%8 4", | |
| ".C5C 8", | |
| "cn 4", | |
| "CCC4 CC1", | |
| ".N%4 6", | |
| ".N%13 %12", | |
| "(O)CC (O)(CC(=O)O)C(=O)O", | |
| "N5 4", | |
| "N5 6", | |
| "[C@]3 (O)C(=O)C", | |
| "[C@H](O)C O", | |
| "(=O)=O) cc1", | |
| "ccc2c(c1) CC", | |
| "ccc(N) cc1", | |
| "c(=O)n (C)", | |
| ".O%15 C", | |
| "[n+] 1", | |
| "C(=O)N2C (C", | |
| "(C(=O)O) C(O)C(=O)O", | |
| ".O=C(O)C =", | |
| "cccc(Cl) c1", | |
| "([N+](=O)[O-]) c1", | |
| "c34 )C[C@H]2", | |
| ".[C@]12(C)CC C(=O)C=", | |
| "c3cccc4 [nH]", | |
| "8F ]", | |
| ") C1", | |
| ") CC2", | |
| "3 =O)", | |
| "4 .c14ccccc1", | |
| "7 O", | |
| "9 C(=O)N", | |
| "C (F)(F)F", | |
| "N %12", | |
| "N (C)CC", | |
| "N (C)C1", | |
| "O C(=O)", | |
| "O 24", | |
| "[ Al]", | |
| "] (=O)", | |
| "cc %12", | |
| "c1 (N)", | |
| "c1 [nH]", | |
| "c1 =O.C", | |
| "CC )", | |
| ".C (O)", | |
| ".C %27", | |
| ".C %29", | |
| "(C) CCN1", | |
| ".c1 %21", | |
| ".c1 cc(C)", | |
| ".c1 %28", | |
| "[C@@H] %14", | |
| "[C@H] (C)[C@@H]", | |
| ".O %19", | |
| ".O P(=O)(O)O", | |
| ".O 23", | |
| "ccc %14", | |
| "cccc 1C", | |
| "c2 c4", | |
| "c2 c(C)", | |
| "(C)C )", | |
| "%2 3C", | |
| "CCC 5CC1", | |
| "[C@H]1 4C", | |
| "[C@@H]1 6", | |
| "[C@@H]1 8", | |
| "[C@@H]1 [C@@H]2", | |
| ".C1 6CC", | |
| ".N1 6C", | |
| ".C7 2", | |
| ".C4 8", | |
| ".C4 (=O)CC", | |
| ".[C@H] %11", | |
| ".[C@H] (N)", | |
| ".[C@H] %28", | |
| ".[C@H] %27", | |
| ".c14 ccc2", | |
| ".c14 cc2", | |
| ".c14 ccc(F)cc1", | |
| ".C3 C(C)C", | |
| ".c15 ccc9", | |
| "=O.N %13", | |
| "C(=O)N (C)CC", | |
| "C(=O)N [C@@H]4", | |
| "c( c2", | |
| "c( [O-])", | |
| "c( n2", | |
| "c( Br)", | |
| ".c16 ccc4cc1", | |
| "(O)C 7", | |
| ".C9 (C)(C)C", | |
| ".c13 cccc", | |
| ".[C@H]1 8", | |
| ".[C@H]1 6C", | |
| ".[C@H]1 4CC", | |
| "7C O", | |
| ".c17 nc6", | |
| ".[C@@H]1 %12", | |
| "N1 C(=O)", | |
| "c2cc 6", | |
| "c2cc 7", | |
| "nc1 6", | |
| ".C%10 8", | |
| ".c18 ccc9cc1", | |
| "[C@H](O) C1=C", | |
| "[C@H](O) [C@H](C)O1", | |
| "=O.O 8", | |
| "=O.C %11C", | |
| ".[C@@H] %10", | |
| "C4 =O", | |
| "C4 (F)(F)F", | |
| "[C@@H](O) [C@H]", | |
| "[C@@H]2 CCC3", | |
| "C2 =O)", | |
| "S(=O) (=O)CC", | |
| ".c19 cccc", | |
| ".N7 3", | |
| ".N7 (C)C", | |
| "c(C) cccc1C", | |
| "=O.c1 %17", | |
| "=O.c1 %31", | |
| "[C@@H]3 O1", | |
| "c6 cc2", | |
| ".N8 9", | |
| ".N9 (C)C", | |
| "NC(=O)[C@H] 4", | |
| "NC(=O)[C@H] %10", | |
| "CCO 2", | |
| "c1ccc 5cc1", | |
| "c12 ccccc1", | |
| ".C%12 (C)C", | |
| ".N%10 4", | |
| ".O5 9", | |
| ".N%11 7", | |
| "(C)(C) N", | |
| ".N%3 8", | |
| ".c1cc 4", | |
| ")O 2", | |
| ".O%11 9", | |
| "ccc( I)", | |
| ".c1(C) ncc", | |
| "/C=C /C", | |
| "(=O)[O-]) N2C(=O)", | |
| "cc(Cl) c(N)", | |
| "cc(Cl) ccc12", | |
| ".O%12 9", | |
| ".C%3 3", | |
| ".C%3 4", | |
| "c1ccccc1 S2", | |
| "OC (C)(C)O", | |
| ".c1%11 ccccc1", | |
| "ccc2c(c1 )C", | |
| ".N%4 0", | |
| "cc( I)", | |
| ".C%14 (=O)[C@@H]", | |
| "CCCN 3", | |
| ".[N+] 3", | |
| "[C@H](N) C", | |
| "nc(N) nc21", | |
| "[C@H]7 C(=O)N2", | |
| "N7 8", | |
| "N4 5", | |
| "O5 8", | |
| ".c14cccc n1", | |
| ".c14cccc 3c1", | |
| "[C@@H](C)C 1", | |
| "/C(=N /", | |
| "N6 7", | |
| ".c1ccccc1 5", | |
| ".c1(N) nc", | |
| "[C@](C) (N)", | |
| "(CCC(=O)O) C(=O)O", | |
| "c2ccccc2S c2ccc(Cl)cc21", | |
| ".S3 (=O)(=O)c1ccc(N)cc1", | |
| "[C@H]2SC1 (C)C", | |
| "C1=C(C (=O)O)N2C(=O)", | |
| "ncn2 5", | |
| "ccc(Br) cc1", | |
| "[C@H](F) C4", | |
| "[C@@]12 F", | |
| "[1 8F]", | |
| "(C)NC (C)=C(C", | |
| "[Al] (O)O", | |
| "2 O", | |
| "3 .C4", | |
| "5 4", | |
| "5 6", | |
| "6 7", | |
| "6 C1", | |
| "9 .C%10", | |
| "= %10", | |
| "C (C", | |
| "C %13", | |
| "N 5C", | |
| "O 8C", | |
| "O 1C", | |
| "S 4", | |
| "n cc2c1", | |
| "o c2ccccc2", | |
| "s c1", | |
| "CC [C@H]", | |
| "(C 2)", | |
| "(C 3)", | |
| "(=O) NC(=O)", | |
| "(C) cc1", | |
| ".c1 %19", | |
| ".N 8C", | |
| ".N %28", | |
| ".O C(=O)", | |
| "O) [C@H](O)", | |
| "(O) (O)O", | |
| "(O) =C(C", | |
| "c2 n", | |
| "c2 ccc(F)", | |
| "c2 ccc3", | |
| "c2 ccc(", | |
| "(C)C (F)(F)F", | |
| "n1 9", | |
| "CCC =", | |
| "CCC [C@H]2", | |
| "CCC (N)=O", | |
| "(N) CC1", | |
| "C1 23C(=O)N", | |
| "[C@@H]1 %11", | |
| ".C5 3=O", | |
| ".C1 CO", | |
| ".C1 4CC1", | |
| ".C6 CO", | |
| ".C6 5=O.N", | |
| ".N1 %13", | |
| ".N1 4CC", | |
| ".C7 O", | |
| ".C7 C5", | |
| ".C7 4=O", | |
| ".C4 7=O", | |
| ".[C@H] %19", | |
| ".[C@H] %22", | |
| ".C3 CO", | |
| ".C3 (=O)CC", | |
| ".c15 ccc(Cl)cc1", | |
| ".c15 ccc8cc1", | |
| "[C@] 8", | |
| "nc2 ccccc12", | |
| ".C8 O", | |
| "C(=O)N C1=O.C", | |
| ".c16 nc2", | |
| ".c16 ccc(F)cc1", | |
| ".C= 7C", | |
| "(O)C 8", | |
| ".C9 3", | |
| ".C9 6", | |
| ".C9 (F)(F)F", | |
| ".c13 ccc6cc1", | |
| ".[C@H]1 %10", | |
| ".[C@H]1 8C", | |
| ".c17 n", | |
| ".c17 ccc(Cl)cc1", | |
| ".[C@@H]1 %11", | |
| ".[C@@H]1 %13", | |
| ".Cl .c13ccccc1", | |
| "%16 =O", | |
| ".n1 9", | |
| ".n1 %11", | |
| "nc1 5", | |
| "(CC (N)=O)", | |
| ".C%10 7", | |
| "ccc1 9", | |
| ".c18 ccc2", | |
| ".S (C)(=O)", | |
| "[C@H](O) [C@H](O)", | |
| "=O.O =", | |
| "=O.C %19", | |
| "9C (C)C", | |
| ".[C@@H] %22", | |
| "[C@H]2 O", | |
| "(C)(C)C 1", | |
| "c4 c(O)", | |
| ".C%11 %10", | |
| ".C%11 (=O)[C@@H]", | |
| "c(C) c2", | |
| "=O.c1 %12", | |
| "=O.c1 %14", | |
| "C6 4", | |
| "C6 (F)(F)F", | |
| "[C@@]2 (O)C", | |
| "N2 4", | |
| "NC(=O)[C@H] 5", | |
| "NC(=O)[C@H] %11", | |
| "NC(=O)[C@H] %12", | |
| "C= 3C", | |
| "[C@H]3 [C@@H](O)C[C@@]21C", | |
| ".N%10 7", | |
| ".N%10 (C)C", | |
| "cccc2 [nH]", | |
| ".O6 5", | |
| ".N%11 %12", | |
| "c1cc 8", | |
| "c[nH] c2", | |
| "c2c1 C", | |
| "cc(C) c(N)", | |
| "[C@@H](O)C [C@H](O)C1=C", | |
| ".O8 6", | |
| "(=O)[O-] .[Na+]", | |
| ".O7 5", | |
| ".c1cc 5", | |
| ".c1cc 7", | |
| "%8 8", | |
| ".O%11 5", | |
| "[C@]2 3", | |
| "/C=C (\\C)", | |
| ".N%12 6", | |
| ".N%12 %11", | |
| ".O9 %12", | |
| ".C%3 1", | |
| ".C%3 9", | |
| ".c15ccccc1 F", | |
| "cn 6", | |
| "cn n2", | |
| "O[C@@H] 5", | |
| "(C= 4", | |
| ".N%4 3", | |
| "cc( c34)C[C@H]2", | |
| ".C%14 C", | |
| "(O)CC [C@H]2[C@@H]3CCC4=CC(=O)CC", | |
| "c9 c1", | |
| ".[N+] (=O)([O-])", | |
| "[C@@]3 (C)C[C@H](O)", | |
| "P(=O)([O-]) [O-]", | |
| "CCCN1 4", | |
| "[C@@H]1C [C@H]1", | |
| "%9 0", | |
| "%9 1", | |
| "CCC[C@H]1 7", | |
| "[C@H](C) [C@H](O)", | |
| ".N17 CCOCC1", | |
| ".[C@@]1 7", | |
| ".C%4 3", | |
| "O5 7", | |
| ".O3 4", | |
| "N8 7", | |
| "O4 6", | |
| "O4 7", | |
| "c(I) c1", | |
| ".N35 4", | |
| "[C@@H]2CC [C@H]1C", | |
| "P(=O)([O-])O P(=O)([O-])O", | |
| "c3c( c(O)c2", | |
| "(C2 =N", | |
| ".C5CC l", | |
| ".c1%14 ccccc1", | |
| "C1=C(C (=O)[O-])N2C(=O)", | |
| ".OC (C)=O", | |
| "=C2 1", | |
| "c2ccc nc21", | |
| "S1 (=O)=O", | |
| "=O.c12 ccccc1", | |
| ".c1%16 ccccc1", | |
| "c1ccc3 cc1", | |
| "c2c(O) c3c(c(O)c2", | |
| "cc2c(cc1C l)", | |
| ".C(#C) [C@]1", | |
| "(c1ccccc1 )", | |
| "c([N+](=O)[O-]) c1", | |
| "[C@@]21 5", | |
| "(C(N)=O)=C(O) [C@@H]4", | |
| "/N=C /", | |
| ".S(=O)(=O) (O)O", | |
| "c3cccc4[nH] cc(c34)C[C@H]2", | |
| ".S(C)(=O) (=O)O", | |
| "( Br)", | |
| ") -", | |
| ". [nH]1", | |
| "2 =C", | |
| "3 .O4C", | |
| "8 .C9", | |
| "9 .C%13", | |
| "= 5C", | |
| "= 4C", | |
| "= N1", | |
| "O 23", | |
| "S 5", | |
| "\\ C", | |
| "c %14", | |
| "n 7", | |
| "s c2", | |
| "cc %13", | |
| "c1 %11", | |
| "c1 (Cl)", | |
| "c1 c6", | |
| "CC 7", | |
| ".C (O)C", | |
| ".C (C)(C)C", | |
| "(C 6", | |
| "(C %4", | |
| "(=O) CCC4", | |
| ".c1 c6", | |
| ".c1 %25", | |
| ".N %65", | |
| "[C@@H] %15", | |
| "[C@@H] (CC", | |
| "[C@@H] 5CC", | |
| "c2 )", | |
| "(C)C 2", | |
| "(C)C 6", | |
| "cc1 7", | |
| "(F) c1", | |
| "CCC 7", | |
| "[C@H]1 O)", | |
| "C1 )", | |
| ".C5 CO", | |
| ".C5 C(C)C", | |
| ".C5 (C)=O.O", | |
| ".C1 9CC1", | |
| ".N1 9C", | |
| ".C7 3", | |
| ".C7 %11", | |
| ".C7 (=O)[C@@H]", | |
| ".C7 (N)=O", | |
| "ccc2 c(", | |
| ".C4 C(C)C", | |
| ".c14 ccc2c(c1)", | |
| "(Cl) c1", | |
| ".C3 (=O)[C@@H]", | |
| ".C3 C5", | |
| "=O.N %20", | |
| "(=O)[C@@H] %29", | |
| "[C@] 7", | |
| ".C8 3", | |
| ".C8 (=O)[C@@H]", | |
| "C(=O)N [C@H]1", | |
| ".C= %14", | |
| "cc2 [nH]1", | |
| "cc2 ccccc2", | |
| ".C9 (C)C", | |
| ".[C@H]1 (C)C", | |
| ".[C@H]1 %11", | |
| ".[C@H]1 9C", | |
| "7C (C)C", | |
| ".[C@@H]1 8C", | |
| "N1 3CC", | |
| ".Cl .Cl", | |
| "nc1 =O", | |
| ".C%10 (C)C", | |
| ".C%10 (F)(F)F", | |
| ".C%10 C7", | |
| "ccc1 N", | |
| ".c18 ccc(F)cc1", | |
| ".c18 ccc4cc1", | |
| ".S %11", | |
| "NC(=O) [C@@H]2C", | |
| "c3 c2", | |
| "c(=O) [nH]1", | |
| "C4 O", | |
| "C4 (=O)C", | |
| "C3 5=O", | |
| ".N6 %10", | |
| "c4 ccc(O)", | |
| ".c19 ccc5cc1", | |
| "%20 C", | |
| ".C%11 (=O)C", | |
| "/C =N/", | |
| ".N3 65", | |
| "c2ccccc2 C", | |
| "c2ccccc2 C1", | |
| "n2 n1", | |
| ".N8 3", | |
| ".N9 %11", | |
| "ccc(F) c(Cl)c1", | |
| "NC(=O)[C@H] %14", | |
| "NC(=O)[C@H] %16", | |
| "c1ccc nc1", | |
| ".C2 (=O)C", | |
| ".C2 CC4", | |
| "C= 6", | |
| "C= 7", | |
| "[C@H]3 O", | |
| ".O%10 6", | |
| "[C@@]1 (C)O", | |
| "5CC (C)C", | |
| "c13 ccc(Cl)cc1", | |
| "c(Cl) cc(Cl)", | |
| "c1cc 3", | |
| "(CCC )", | |
| "c(F) cc2", | |
| "[C@@H](O)C [C@@]12C", | |
| ".O8 5", | |
| ".N%3 5", | |
| ".N%3 6", | |
| "(=O)(=O) C1", | |
| "C7 5", | |
| ".c1cc (Cl)", | |
| ".O=C (O)", | |
| "%8 5", | |
| "%8 7", | |
| "%8 9", | |
| ".O%11 7", | |
| "ccc( S(C)(=O)=O)", | |
| "[C@]2 1", | |
| ".N16 CC", | |
| ".N%12 5", | |
| ".N%12 7", | |
| "OC )c1", | |
| "O[C@@H] 4C", | |
| "O1 )", | |
| ".N%4 2", | |
| ".N%4 4", | |
| ".N%13 %11", | |
| "(N)=O) C(=O)", | |
| "CCN1 5", | |
| "cc7 c6", | |
| "7CC (C)C", | |
| "(O)CC [C@H]2[C@@H]3CCC4", | |
| ".O%13 6", | |
| "(=C (O)", | |
| "[C@@]3 (O)", | |
| "[C@@]3 (C)CC", | |
| "ccn 4c(=O)n1", | |
| "nc(N) n1", | |
| "[C@H]6 O", | |
| "N5 7", | |
| "SC (C)(C)", | |
| "cc2c( n1)", | |
| ".N%5 1", | |
| ".N%5 5", | |
| ".N%5 7", | |
| ".N18 CCCC1", | |
| ".C(C) CCCC", | |
| ".C(C) (=O)O", | |
| "N3 4", | |
| "(C)=O.O 46", | |
| "(F)(F) F)", | |
| "N4 7", | |
| ".O47 .C4", | |
| ".C(=O) ([O-])", | |
| "c(=O)n 4", | |
| "O3 6", | |
| "(CC) CC", | |
| "c%11 c1", | |
| "n(C) n1", | |
| "O7 5", | |
| "(=O)CCC 3", | |
| ".c1%15 ccccc1", | |
| ".N16CCN 7CC1", | |
| "[S @@", | |
| ".c1%13 ccccc1", | |
| ".F C", | |
| ".S4 (=O)(=O)c1ccc", | |
| "c2cc(F) ccc2", | |
| "(=O)(=O)c1ccc(N)cc1 .c13", | |
| "(=O)/C(=N\\ OC)c1", | |
| "(CC1 )CC2", | |
| "ccc%12 cc1", | |
| "[C@@H]4[C@H]3CC [C@@]21C", | |
| "ncnc2[nH] ccc12", | |
| "ccc%13 cc1", | |
| "(C)[C@@H](O) [C@H](C)O1", | |
| "=CC(=O)C=C[C@]4(C)[C@@]3(F) [C@@H](O)C[C@@]21C", | |
| "[C@H]2CC[C@@H](C 1)", | |
| "c1ccc7 cc1", | |
| "ccc(C (=N)N)", | |
| ".C1(C)(C)S[C@@H]2 [C@H]7C(=O)N2", | |
| "(=O)C1=C (C)NC(C)=C(C", | |
| "[C@]3(O)C(=O)C (C(N)=O)=C(O)[C@@H]4", | |
| "C(=O)N2C(C (=O)[O-])", | |
| ".[C@]12(C)CCC(=O)C= C1CC", | |
| "CCCN3 C(=O)", | |
| "[S@@ +]([O-])", | |
| "(=O)/C(=N\\OC)c1 csc(N)n1", | |
| "# N)", | |
| "( [2H]", | |
| ") C(=O)O", | |
| ") [C@@H]1C", | |
| "- c1ccc(Cl)cc1", | |
| ". P(=O)(O)", | |
| "2 .C5", | |
| "2 (C)(C)C", | |
| "2 )C", | |
| "4 )", | |
| "4 7", | |
| "4 .O5C", | |
| "5 )", | |
| "5 .Cl", | |
| "6 4", | |
| "6 =O)", | |
| "6 CCC", | |
| "8 C1", | |
| "8 .c18", | |
| "9 .c17", | |
| "9 .c19", | |
| "= 9", | |
| "C 7C", | |
| "C 8C", | |
| "N (C)", | |
| "N (C)C", | |
| "N =C1", | |
| "O %13", | |
| "O =C1", | |
| "O %12C", | |
| "S 3", | |
| "S 7", | |
| "c -", | |
| "n 2C)", | |
| "s c2c1", | |
| "c1 %12", | |
| "c1 cnc2", | |
| "c1 cccc2c1", | |
| "CC =4", | |
| "(C 6C", | |
| "(C 3C", | |
| "(C 9=O)", | |
| "(=O) N2", | |
| "(C) =O.C", | |
| ".N %66", | |
| "[C@@H] %13", | |
| "[C@@H] %18", | |
| "[C@@H] (CCC", | |
| "[C@H] 9C", | |
| "[C@H] %10C", | |
| ".O 2C", | |
| ".O %21", | |
| "ccc (=O)", | |
| "O) C", | |
| "O) [C@@H]2CCC3", | |
| "(O) C1", | |
| "C(=O) [N-]", | |
| "c2 s", | |
| "c2 cs", | |
| "c2 cnc3", | |
| "cc1 %10", | |
| "%2 4C", | |
| "%11 c1", | |
| "%11 .C%11", | |
| "CCC 8", | |
| "CCC l", | |
| "CCC N2", | |
| "CCC (N)=O.N", | |
| "CCC %10CC1", | |
| "%12 CC1", | |
| "[C@H]1 C5", | |
| "[C@H]1 6CC", | |
| "C1 9", | |
| "[C@@H]1 7", | |
| ".C5 (=O)[C@@H]", | |
| ".C5 CC4", | |
| "%13 =O.N", | |
| "%3 6C", | |
| ".C1 %10", | |
| ".C1 CCC", | |
| ".C1 CCN", | |
| ".C1 =5", | |
| ".C1 (C)=C(C", | |
| ".N1 %14", | |
| ".C7 CCC", | |
| ".C7 C(C)C", | |
| ".C7 9=O", | |
| "ccc2 n1", | |
| ".C4 7", | |
| ".[C@H] %25", | |
| ".[C@H] %54", | |
| "[nH] c12", | |
| "(Cl) (Cl)", | |
| "CCN (C)", | |
| ".c15 cc", | |
| "=O.N %16", | |
| "[C@@] (O)", | |
| "C(=O)O 1", | |
| "[C@] 5", | |
| ".C8 C(=O)O", | |
| ".C8 C4", | |
| ".C8 CO", | |
| ".C8 (C)=O", | |
| "C(=O)N 1C", | |
| "c( n1)", | |
| "CCCC CC", | |
| ".c16 ccc5", | |
| ".c16 cc(C)", | |
| ".c16 ccc(O)cc1", | |
| ".c16 ccc5cc1", | |
| ".c16 cccc2c1", | |
| ".C= %10", | |
| ".C= 2C", | |
| ".C= 3C", | |
| "(O)C [C@@]2(C)[C@@H]", | |
| "4C O", | |
| "cc2 C1", | |
| "cc2 [nH]", | |
| ".c13 ccc2", | |
| ".c13 ccc4cc1", | |
| ".c13 cc(O)cc(O)", | |
| "7C (=N)N", | |
| ".c17 cc4", | |
| ".[C@@H]1 %14", | |
| ".[C@@H]1 4O", | |
| "c2cc 5", | |
| "nc1 8", | |
| ".c18 c[nH]c2ccccc12", | |
| ".S 5C", | |
| ".S 65", | |
| "c3 c4c(", | |
| "c(=O) o", | |
| "c(=O) c2cc(F)", | |
| "=O.C 2C", | |
| "(= C1", | |
| ".[C@@H] %16", | |
| "C4 CC", | |
| "C4 (C)=O.O46", | |
| "C3 (=O)O", | |
| "C3 (=O)C", | |
| "C3 4=O", | |
| "S(=O) (=O)N", | |
| ".[Na+] .c13", | |
| ".[Na+] .[C@H]1", | |
| "c4 no", | |
| ".c19 ccc%10cc1", | |
| ".N4 8", | |
| "ccc(O) c4", | |
| "c(C) cc(C)", | |
| "c(C) c1C", | |
| "c14 ccc(Cl)cc1", | |
| "[C@@H]3 CCCN3C(=O)", | |
| "c5 n1", | |
| "[C@@]2 (", | |
| "[C@@]2 4", | |
| "c6 cc", | |
| "(=N) N2", | |
| "n2 c1", | |
| "[C@]1 3", | |
| ".N8 %11", | |
| "NC(=O)[C@H] %15", | |
| "CCO C", | |
| "c1ccc 9", | |
| "c1ccc 4cc1", | |
| ".C2 4", | |
| ".C2 CC", | |
| "C= 2", | |
| "c(O) c([N+](=O)[O-])c1", | |
| ".O%10 7", | |
| "P(=O) (", | |
| "cnc 7", | |
| "cnc 9", | |
| ".C%12 5", | |
| ".C%12 %11", | |
| "ncc 3", | |
| "ncc 5", | |
| "ncc 8", | |
| ".N%10 %11", | |
| ".N%11 8", | |
| "nn (C)", | |
| "nn nn1C", | |
| "ccc4 cn1", | |
| "c1cc (O)", | |
| "c1cc (Cl)", | |
| "(CCC l)", | |
| "c2c1 I", | |
| "cc(C) c5", | |
| "cc(C) [nH]n1", | |
| "c(F) cc(F)", | |
| ".c1%10 ccc(O)cc1", | |
| "[C@@H](O)C 6", | |
| "[C@@H](O)C O", | |
| "[C@@H](O)C [C@@]2(C)[C@H]1CC", | |
| "[N+] 1", | |
| "cnc2 c1", | |
| ".N%3 2", | |
| ".N%3 3", | |
| ".c1cc 8", | |
| "[C@]2 (C)O", | |
| ".C6C 8", | |
| ".O6C .O8C", | |
| "(=O)N (C)[C@@H]", | |
| ".C%3 8", | |
| "C(=O)N[C@@H] %16", | |
| "S(=O)(=O)O [Al](O)O", | |
| "(CCCC CC)", | |
| ".N%13 6", | |
| ".N%13 7", | |
| "CCN1 7", | |
| "CCCN C1", | |
| ".c1%12 ccccc1", | |
| "ccn n1C", | |
| ".N%5 0", | |
| ".N%5 6", | |
| "%9 2", | |
| ".N19 CCOCC1", | |
| "nn1 2", | |
| "nc5 n1", | |
| "ncnc2 c1", | |
| ".C%4 0", | |
| ".C%5 7", | |
| ".c15cccc 7c1", | |
| "(CC(C)C)C %5", | |
| "O5 6", | |
| ".N15 CCOCC1", | |
| "[C@@H]6 [C@H]2SC1", | |
| "c(I) c2c1I", | |
| "%19C (=N)N", | |
| "=CC(=O)C=C [C@]3(C)", | |
| ".[C@]12 (C)C=CC(=O)C=C1", | |
| "O7 %11", | |
| "S(N) (=O)=O", | |
| ".[C@H]5 (C", | |
| "ccnc2 cc(Cl)ccc12", | |
| ".N16CCN 9CC1", | |
| "[S +]", | |
| "[C@@]4 (C)", | |
| "[C@@H](N) C", | |
| "[C@@H](N) C1", | |
| ".C=4C =6", | |
| ".C=4C =3", | |
| "nc8 c12", | |
| ".n13 ccc(=O)[nH]", | |
| ".N15CC CCC1", | |
| "=O)C (C)(C)C", | |
| "(=O)/C(=N\\ O", | |
| "c2cc3 c(", | |
| ".C14CC CCC1", | |
| "cnc(N) nc1", | |
| ".c1%18 ccccc1", | |
| "[n-] 1", | |
| ".C=8 C(=O)O", | |
| "ccc%14 cc1", | |
| "[C@@H]1[C@@H]2 [C@@H](O)C[C@@]2(C)[C@H]1CC", | |
| "C(=O)N(C)CC (=O)N(C)[C@@H]", | |
| "ccc(I) cc1F", | |
| "C123C(=O)N C(=O)NC1=O.C", | |
| "[C@]23 c4c5", | |
| "([2H] )", | |
| "( S(C)(=O)=O)", | |
| "/ N=C(", | |
| "3 N", | |
| "3 .c14", | |
| "4 (C)", | |
| "4 (C)C", | |
| "4 .C4", | |
| "4 =CC(=O)CC", | |
| "5 c2", | |
| "6 .c18", | |
| "6 .O5C", | |
| "9 =O.c1", | |
| "9 .C%16", | |
| "9 .C%13C", | |
| "= 1", | |
| "= 8", | |
| "C %14", | |
| "C (C)(C)C", | |
| "C %10C", | |
| "I -]", | |
| "N 3C", | |
| "O 3C", | |
| "O [C@H]2", | |
| "O [C@H]3", | |
| "S CC", | |
| "[ Br-]", | |
| "c o", | |
| "c 3C", | |
| "cc (C#N)", | |
| "c1 N", | |
| "c1 (F)", | |
| "c1 nc2", | |
| "c1 ccccc12", | |
| "c1 ccc(O)cc1", | |
| "c1 ccc2c(c1)", | |
| "CC 9", | |
| ".C %17C", | |
| "(C 1", | |
| "(C 8", | |
| "(C 2C", | |
| "=O) COC(=O)", | |
| ".c1 %42", | |
| ".N %19C(=N)N", | |
| "[C@@H] (F)", | |
| "[C@@H] %16", | |
| "[C@@H] 4CC", | |
| "[C@@H] %11C", | |
| "[C@H] %13C", | |
| ".O %20", | |
| ".O %19C", | |
| ".O S(C)(=O)=O", | |
| "%10 4", | |
| "cc1 %12", | |
| "n1 8", | |
| "CCC N2C(=O)", | |
| "%12 .C%15", | |
| "(N) =O.c1", | |
| "C1 4CC", | |
| "C1 3CC", | |
| "C1 6CC", | |
| "[C@@H]1 %10", | |
| "[C@@H]1 2C", | |
| "[C@@H]1 SC(C)(C)", | |
| "nc (=O)", | |
| "nc (O)", | |
| "=C (C)", | |
| "=C ([O-])", | |
| ".C5 CCC", | |
| ".C5 (=O)[C@H]", | |
| "%13 .[C@@H]17", | |
| "%3 2C", | |
| ".C1 O", | |
| ".C6 (=O)CC", | |
| ".C6 C(C)C", | |
| ".C6 (C)=O.O", | |
| ".N1 (C)C", | |
| ".N1 5C", | |
| ".N1 3CC", | |
| ".C7 %10", | |
| ".C7 (=O)CC", | |
| ".C7 8=O", | |
| ".C4 CC", | |
| ".C4 C(=O)O", | |
| ".C4 (=O)N", | |
| ".C4 3=O", | |
| ".C4 (C)C(=O)O", | |
| ".C4 C3O", | |
| ".[C@H] %23", | |
| ".[C@H] %26", | |
| ".[C@H] %33", | |
| ".[C@H] %45", | |
| ".c14 c(C)", | |
| ".c14 cc5", | |
| ".c14 ccc7cc1", | |
| ".c14 cc7", | |
| ".c14 ccc9cc1", | |
| ".c14 cccc2ccccc12", | |
| "CCN 5CC", | |
| ".c15 ccc4cc1", | |
| ".c15 ccc9cc1", | |
| "=O.N %15", | |
| "=O.N %18", | |
| "=O.N %22", | |
| "[C@] 6", | |
| "%15 .C%13", | |
| ".C8 %10", | |
| ".C8 %13", | |
| "6C (=N)N", | |
| "C(=O)N [C@H]", | |
| "C(=O)N (C)[C@@H]", | |
| "C(=O)N CC(=O)N", | |
| "2C )c1", | |
| "CCCC 2", | |
| ".c16 cc4", | |
| ".c16 ccc%10cc1", | |
| ".c16 cccc5c1", | |
| ".C= 4CC", | |
| ".C= 7c1", | |
| "cc2 n1", | |
| "cc2 nc", | |
| ".C9 O", | |
| ".C9 CC", | |
| ".C9 %11", | |
| ".C9 4=O", | |
| ".c13 ccc5", | |
| ".c13 ccc(O)c(O)c1", | |
| ".[C@H]1 %12", | |
| ".[C@H]1 %11C", | |
| "3C (C)C", | |
| ".c17 cc2", | |
| ".c17 ccc(F)cc1", | |
| ".c17 cc8", | |
| ".[C@@H]1 5C", | |
| ".[C@@H]1 5CC", | |
| ".Cl .c14ccccc1", | |
| ".Cl .O36", | |
| "c2cc 9", | |
| ".C%10 5=O", | |
| ".C%10 9=O", | |
| "ccc1 %11", | |
| ".c18 cccc", | |
| ".c18 cc7", | |
| "[C@H](O) [C@@H](O)[C@H](O)", | |
| "NC(=O) [C@@H]9", | |
| "=O.O 7", | |
| "=O.O 7C", | |
| "8C 2", | |
| "%17 =O.C", | |
| "=O.C (C", | |
| ".[C@@H] %11", | |
| "C4 3", | |
| "C4 (C)C", | |
| "C4 5=O", | |
| "[C@@H](O) C1", | |
| "[C@@H](O) CC(=O)O", | |
| "[C@@H]2 c3cccc4[nH]cc(c34)C[C@H]2", | |
| ".[Na+] .n1", | |
| "c4 n1", | |
| "c4 cc21", | |
| "c4 nn2", | |
| "(C)CC 2", | |
| ".c19 ccc7cc1", | |
| ".C%11 %12", | |
| "C5 6=O", | |
| "ccc(O) c2c1", | |
| "/C (=C", | |
| "c(C) n1", | |
| "c(C) c12", | |
| "=O.c1 (N)", | |
| "C6 =O", | |
| "C6 (=O)CO", | |
| "[C@@]2 5", | |
| "[C@@]2 (C)C", | |
| "c15 ccc7cc1", | |
| "NC(=O)[C@H] 7", | |
| "c1ccc 6", | |
| "c1ccc 8", | |
| "c1ccc 6cc1", | |
| ".C2 (=O)O", | |
| "C= 5C", | |
| "C= 3c1", | |
| "c12 ccc(O)c(O)c1", | |
| ".O%10 3", | |
| ".O%10 5", | |
| ".O%10 %12", | |
| "cnc 6", | |
| ".C%12 (=O)[C@@H]", | |
| ".C%12 (=O)C", | |
| "ncc 7", | |
| ".C%13 (C)C", | |
| ".O4 8", | |
| "[C@@]1 (O)", | |
| ".O5 4", | |
| "(=O)CC C(=O)O", | |
| "=CC (=O)CCC3", | |
| "nn 5", | |
| "c[nH] c12", | |
| "%24 =O.[C@H]", | |
| "(C)(C) CC1", | |
| "c7 n1", | |
| "C(C)C 1", | |
| ".c14ccccc1 Cl", | |
| ".c1%10 cc8", | |
| "ccc6 nc1", | |
| ".O8 4", | |
| ".O8 %11", | |
| "O[C@H] %15", | |
| ".c1cc 9", | |
| ".c1cc (O)", | |
| "%8 6", | |
| "ccc( S(N)(=O)=O)", | |
| ".N16 CCC", | |
| ".N16 CCN(C)CC1", | |
| ".N16 CCC[C@H]1", | |
| "7=O .[C@H]", | |
| "cc6 c1", | |
| "cc6 c(=O)c2cc(F)", | |
| ".O%12 5", | |
| ".O%12 6", | |
| ".C%3 5", | |
| ".C%15 O", | |
| "(C= 3", | |
| ".N%4 7", | |
| ".N%4 9", | |
| "(CCCC 2)", | |
| "8=O .[C@H]", | |
| ".N%13 4", | |
| "cc( S(=O)(=O)O)", | |
| "cc7 c1", | |
| "c9 n1", | |
| "[C@H](N) [C@H](O)[C@H](C)O1", | |
| ".O%13 %11", | |
| "cc(F) ccc1F", | |
| ".[C@]1 5", | |
| ".[C@]1 6", | |
| "nc(N) [nH]", | |
| "[C@H]6 C1", | |
| ".[ I-]", | |
| "C(=O)C [C@H](O)C", | |
| "c1=O .n1", | |
| ".N18 CCN", | |
| ".N18 CCOCC1", | |
| "C(=O)N1 5", | |
| "[C@H]7 C1", | |
| ".C(C) CCC", | |
| ".C(C) (O)C(=O)O", | |
| ".C9C %10", | |
| ".N%14 %10", | |
| "[C@H](C) [C@@H](O)[C@@H](C)", | |
| ".N17 CCC", | |
| "c2ccccc21 .Cl.C3", | |
| "cc(O) c2c(c1", | |
| "N3 c1ccccc1S2", | |
| ".C=5 (C)C", | |
| "[C@H]3CC [C@@]21C", | |
| "N7 6", | |
| ".C%4 6", | |
| ".n15 cc6c(=O)c2cc(F)", | |
| "2CC CCC1", | |
| ".C%5 0", | |
| "C(=O)N2 [C@@H]1SC(C)(C)", | |
| "C(=O)[O-] .[Na+]", | |
| "c%10 n1", | |
| "CCC2 (CC1", | |
| "%42 =O.N", | |
| "=5 .C=5", | |
| ".[C@H]4 (C)O", | |
| ".N%15 5", | |
| ".C%17 (=O)[C@@H]", | |
| ".C=3 (C)C", | |
| "[C@H](C 2)", | |
| "SSC [C@H](N)", | |
| "c(F)c1 F", | |
| "c1cccc 5c1", | |
| "(=O)[C@@H]%2 6C", | |
| ".c1ccccc1 6", | |
| ".S5 (=O)(=O)c1ccc", | |
| "O=C (O)C", | |
| "c%11 n1", | |
| ".C(C)C 3", | |
| ".N1(C) CCN4CC1", | |
| "n(C) c1=O", | |
| ".OS(=O)(=O)O .O", | |
| ".O=C(O)C =4", | |
| ".O=C(O)C (O)C(O)C(=O)O", | |
| ".S6 (=O)(=O)c1ccc", | |
| "[C@@]4 (O)", | |
| "ccc(N)nc1 =O.O", | |
| ".N5C (=N)N", | |
| "O[C@H]1 5", | |
| ".OC (C(=O)O)C(O)C(=O)O", | |
| "nc2ccccc2 1", | |
| "nc2ccccc2 [nH]1", | |
| "(=O)CCCC CCCCC", | |
| ".[C@@H]19 CC", | |
| "(=O)(=O)c1 cccc2", | |
| ".C=7 C(=O)O", | |
| "[C@H]2[C@@H]3C =C", | |
| "=O.N6 8", | |
| "cc(C)c(=O)[nH] c1=O.[C@H]1", | |
| ".C%2 5C", | |
| ".C14CC CC1", | |
| "ccc2ccccc2 n1", | |
| "cnc(N) nc1N", | |
| "[C@H]2[C@@H]3CC [C@H]4C", | |
| ".N%2 3C(=N)N", | |
| "C(=O)N2C(C(=O)O) =C(C", | |
| "C(=O)N2C(C(=O)O) =C(", | |
| "nnc2 n1", | |
| "CCN2 C(=O)", | |
| "(=O)CCCCCCCC CCCCCCC", | |
| "c5c4 [C@@]2(", | |
| ".c1cc(C) ccc1", | |
| "OC(C)(C)O [C@@H]1C[C@H]1", | |
| "(O)=C(C (N)=O)C(=O)", | |
| "c2n cccc21", | |
| ".[C@@H]%22 (C", | |
| "cc(C)c(N) nc1=O", | |
| "ccc(S(C)(=O)=O) cc1", | |
| "ccc(C(=N)N) cc1", | |
| ".C1(C)(C)S[C@@H]2[C@H]7C(=O)N2 [C@H]16", | |
| "C(=O)N2C(C(=O)[O-]) =C(C", | |
| "CC=4 .N3(C)C", | |
| "(O)C[C@@]2(C)[C@@H] (C", | |
| ".[C@]12(C)C=CC(=O)C=C1 CC", | |
| "=CC(=O)CCC3 =C21", | |
| "ccc(S(N)(=O)=O) cc1", | |
| "C(=O)N2[C@@H]1SC(C)(C) [C@@H]2", | |
| "( /C", | |
| "( S(=O)(=O)", | |
| "( S(=O)(=O)[O-])", | |
| ") N", | |
| ") =N", | |
| "- c1", | |
| "- c3", | |
| ". Br", | |
| ". P(=O)([O-])", | |
| ". CC1(C)C", | |
| "/ c(", | |
| "2 .C3", | |
| "2 .O7C", | |
| "3 ccccc3", | |
| "3 (=O)=O)cc1", | |
| "4 5", | |
| "4 C1", | |
| "5 n1", | |
| "5 =O.O", | |
| "6 %10", | |
| "6 .c17", | |
| "6 OC(C)(C)O[C@@H]1C[C@H]1", | |
| "7 CC2", | |
| "7 .O58", | |
| "8 n1", | |
| "8 .C%12", | |
| "9 8", | |
| "= S", | |
| "= 2C", | |
| "@ ](=O)", | |
| "B (O)O", | |
| "C c1", | |
| "C (C)", | |
| "C N1", | |
| "C 9C", | |
| "C (C)CC", | |
| "N O", | |
| "N %15", | |
| "N 2C", | |
| "N C2=O", | |
| "N CCO1", | |
| "O CC", | |
| "O 9C", | |
| "O [C@@H]4", | |
| "O %10C", | |
| "O P(=O)(O)O", | |
| "P 1", | |
| "c %17", | |
| "c (C#C", | |
| "n cc12", | |
| "n cccc2c1", | |
| "n cc2c(n1)", | |
| "o c3", | |
| "o c1=O", | |
| "s c12", | |
| "c1 csc(N)n1", | |
| "CC .C=", | |
| "CC (N)=O", | |
| "CC (N)=O.N", | |
| "CC SSC", | |
| ".C %60", | |
| ".C %61", | |
| ".C %18C", | |
| ".C %80", | |
| "(C %10", | |
| "(C %3", | |
| "(C %5", | |
| "(C 7C", | |
| "(C 1)", | |
| "=O) C(=O)O", | |
| "(=O) N1", | |
| "(=O) (=O)CC", | |
| "(C) CCCC", | |
| "(C) =N/", | |
| ".c1 %27", | |
| ".c1 ccc4cc1", | |
| ".c1 cc2c(cc1", | |
| ".N %27", | |
| "[C@H] %21", | |
| ".O [C@H]1", | |
| ".O %18C", | |
| ".O CC(N)(CO)CO", | |
| "cccc 3c1", | |
| "cccc 9c1", | |
| "c2 3", | |
| "c2 ncc", | |
| "c2 c(Cl)", | |
| "c2 ccc7", | |
| "c2 ccc8", | |
| "c2 c9", | |
| "c2 nc(C)", | |
| "(C)C 3", | |
| "(C)C .C%11", | |
| "%2 7C", | |
| "%11 6", | |
| "%11 cc1", | |
| "%11 CO", | |
| "%11 =O.[C@H]", | |
| "n1 6", | |
| "n1 .c15", | |
| "[C@H]1 %10", | |
| "[C@H]1 6C", | |
| "(N) =N", | |
| "(N) (=O)=O", | |
| "C1 4CC1", | |
| "nc (Cl)", | |
| "nc 7c1", | |
| ".C5 6=O.N", | |
| "%3 5=O", | |
| ".C1 %13", | |
| ".C1 6C", | |
| ".C1 9C", | |
| ".C1 7CC1", | |
| ".C1 =4", | |
| ".C1 (C)=C", | |
| ".C6 %10", | |
| ".C6 C5", | |
| ".C6 C7", | |
| ".C6 %10=O", | |
| ".C6 CC4", | |
| ".C6 8=O.N", | |
| ".N1 %10C", | |
| ".C7 C4", | |
| ".C7 (=O)[C@H]", | |
| ".C7 (C)=O.O", | |
| ".C7 (C)(C)O", | |
| ".C4 N", | |
| ".C4 C3", | |
| ".C4 (N)=O", | |
| ".C4 (=O)[C@@H]%3", | |
| ".C4 CC6", | |
| ".[C@H] 2", | |
| ".[C@H] %20", | |
| ".[C@H] %31", | |
| "[nH] c2c1", | |
| "%14 =O.c1", | |
| ".c14 n", | |
| ".c14 ccc(O)", | |
| ".c14 ncc", | |
| ".c14 ccc5", | |
| ".c14 ccc7", | |
| ".c14 cc(", | |
| ".c14 ccc2[nH]", | |
| ".c14 ccc(N)cc1", | |
| ".C3 C6", | |
| ".C3 5=O", | |
| ".c15 cc2", | |
| ".c15 nn", | |
| "(=O)[C@@H] %7", | |
| "(=O)[C@@H] %27", | |
| "[C@@] 6", | |
| "[C@@] 7", | |
| "nc2 cccc", | |
| ".C8 C(C)C", | |
| ".C8 4=O", | |
| ".C8 9=O", | |
| ".C8 %12=O", | |
| "6C 5", | |
| "C(=O)N C1", | |
| "C(=O)N [C@@H]3", | |
| "2C O", | |
| "c( S(N)(=O)=O)", | |
| "CCCC CC1", | |
| ".c16 cc2", | |
| ".c16 ccc7", | |
| ".c16 ccc8cc1", | |
| ".c16 ccc3cc1", | |
| ".c16 nc(C)", | |
| ".c16 ccnc2", | |
| ".c16 ccc(F)cc1F", | |
| "5C 2", | |
| ".C= %3", | |
| "(O)C c2c(O)c3c(c(O)c2", | |
| "cc2 ccccc12", | |
| "cc2 c(c1", | |
| "cc2 s1", | |
| ".C9 (C)=O", | |
| ".C9 C(C)C", | |
| ".C9 C7", | |
| ".C9 8=O", | |
| ".c13 ccc(F)cc1", | |
| ".c13 cc(", | |
| ".c13 ccc5cc1", | |
| ".c13 cccc(Cl)", | |
| ".c13 ccncc1", | |
| ".c13 cccc(F)c1", | |
| ".[C@H]1 %20", | |
| "3C )", | |
| ".c17 ccc6cc1", | |
| ".c17 ccc(C)", | |
| ".c17 ccccn1", | |
| ".[C@@H]1 (C)C", | |
| ".[C@@H]1 %18", | |
| "N1 5C", | |
| "N1 5CC", | |
| ".Cl .c13", | |
| ".Cl .C5C", | |
| "%16 CC1", | |
| "%16 =O.C%12", | |
| "c2cc 4", | |
| "c2cc %10", | |
| "nc1 7", | |
| "nc1 9", | |
| "(CC 2)", | |
| ".C%10 6", | |
| ".C%10 CC", | |
| ".C%10 %15", | |
| ".C%10 (C)(C)C", | |
| ".C%10 CO", | |
| ".C%10 C9", | |
| "ccc1 %10", | |
| "ccc1 -2", | |
| ".c18 n", | |
| ".c18 cc2", | |
| ".S %12", | |
| "[C@H](O) [C@H]2", | |
| "[C@H](O) [C@H]1O", | |
| "[C@H](O) [C@@H]4", | |
| "[C@H](O) [C@@H]3O1", | |
| "NC(=O) CCSSC", | |
| "=O.O %10", | |
| "8C (=N)N", | |
| "c3 c(O)", | |
| "c3 -c3", | |
| "c(=O) c6", | |
| "c(=O) c7", | |
| "=O.C %17", | |
| "9C O", | |
| ".[C@@H] %12", | |
| ".[C@@H] %24", | |
| "C4 5", | |
| "C4 (=O)O", | |
| "C4 (=O)CO", | |
| "[C@@H](O) CC", | |
| "[C@@H](O) [C@@H]1", | |
| "[C@@H]2 CCCC", | |
| "[C@@H]2 c3", | |
| "C2 3", | |
| "C2 =O.O", | |
| "C3 =O.N", | |
| ".[Na+] .[O-]", | |
| "c4 nc2", | |
| "Cl .C5C", | |
| ".c19 cc2", | |
| ".c19 ccc(O)cc1", | |
| ".c19 cc5", | |
| ".c19 ccc6cc1", | |
| ".c19 cc8", | |
| ".c19 cs", | |
| ".C%11 6", | |
| ".C%11 (C)C", | |
| ".C%11 (C)=O.O", | |
| ".N4 65", | |
| "ccc(Cl) cn1", | |
| "C5 4", | |
| "C5 (F)F", | |
| "/C (C)=N/", | |
| "c(C) c(O)", | |
| "c14 ccccn1", | |
| "[C@@H]3 [C@H]1O)", | |
| "C6 (=O)O", | |
| "C6 CC5", | |
| "c2ccccc2 O", | |
| "[C@@]2 (C)C=CC(=O)C=C1", | |
| "c15 ccc2", | |
| "[C@]1 4", | |
| "CO 2", | |
| "ccc(F) c1F", | |
| "CCC1 5", | |
| ".C2 (C)(C)C", | |
| ".C2 (N)=O", | |
| ".C2 (=O)CC", | |
| ".C2 3=O", | |
| "c12 ccc3cc1", | |
| ".O%10 4", | |
| ".C%12 7", | |
| ".C%13 (=O)[C@@H]", | |
| "[C@@]1 5", | |
| ".N%10 3", | |
| ".N%10 %12", | |
| "4CC (C)C", | |
| "4CC C(=O)O", | |
| "=CC (=O)CCC4", | |
| "c1cc 9", | |
| "c1cc (C)", | |
| "(CCC %19C", | |
| "c7 cc12", | |
| "cc(C) c7", | |
| ".c1%10 n", | |
| ".c1%10 ccc7cc1", | |
| ".c1%10 c[nH]c2ccccc12", | |
| "[C@@H](O)C [C@H]1O", | |
| ".O8 3", | |
| "cnc2 [nH]", | |
| "cnc2 c(c1", | |
| "O[C@H] 7", | |
| "O[C@H] 9", | |
| ")O 1", | |
| "(C# C)", | |
| "=N C2", | |
| ".C6C 9", | |
| ".c1(C) cc4", | |
| ".N16 CCC7CC1", | |
| ".N%12 8", | |
| ".N%12 C(=N)N", | |
| "cc6 cn1", | |
| "cc(Cl) cc(Cl)c1", | |
| "cc4 c1", | |
| "c1ccccc1 6", | |
| "ccc2c(c1 )O", | |
| "ccc2c(c1 )OC", | |
| "c17 ccc6cc1", | |
| ".C%15 (=O)C", | |
| "O[C@@H] 3C", | |
| "(C= 7", | |
| "C(=O)N[C@@H] 7", | |
| "C(=O)N[C@@H] 9C(=O)N", | |
| ".N%4 5", | |
| ".N%4 8", | |
| "(CCCC N)", | |
| "cc5 c1", | |
| "cc( [N+](=O)[O-])", | |
| "CCN1 9", | |
| "cccc1 2", | |
| "cccc1 C3=O", | |
| "ccc5cc1 2", | |
| "(O)CC C(=O)O", | |
| "(C)[C@@H] 5", | |
| ".[N+] 2(C)(C)C", | |
| ".O%13 %12", | |
| ".O%13 %14", | |
| "cc(F) cc(F)c1", | |
| ".[C@]1 7", | |
| "CCCN1 2", | |
| "CCCN1 C", | |
| "CCCN1 %10", | |
| "C(=O)C (C)(C)", | |
| "C8 (F)(F)F", | |
| "C8 6.C5", | |
| "(CO) [C@@H](O)[C@H](O)", | |
| ".N%5 2", | |
| ".N%5 3", | |
| ".N%5 4", | |
| "[C@]3 (C)C", | |
| "%9 5", | |
| "%9 6", | |
| "%9 7", | |
| "CCC[C@H]1 2", | |
| "6.C5 4", | |
| "ccccc2 c1", | |
| "CCCCC 8", | |
| ".N17 CCN6CC1", | |
| "3) C1", | |
| "(=O)=O) c1", | |
| "(F)(F) O2", | |
| "(F)(F) C(F)(F)F", | |
| ".[C@@]1 6", | |
| ".C%4 4", | |
| "=C( OC)", | |
| ".C%5 9", | |
| ".N15 CCN8CC1", | |
| "[C@@H](O)[C@H](O) [C@H]1", | |
| ".O%14 %12", | |
| ".N%16 6", | |
| ".N%16 %13", | |
| ".N%16 %15", | |
| "c(=O)n 4cc1", | |
| "[C@@H](C 2)", | |
| ".[C@H]4 (CCC", | |
| ".C%16 (=O)[C@@H]", | |
| ".N%15 6", | |
| ".N14 CCOCC1", | |
| ".n16 ccnc1", | |
| "[C@H]2[C@@H]3CCC4 =CC(=O)C=C[C@]4(C)", | |
| "[C@H]2[C@@H]3CCC4 =CC(=O)CCC4", | |
| ".c1cccc 6c1", | |
| "c(N)nc (=O)", | |
| "SSC [C@@H]6", | |
| "SSC [C@H](", | |
| ".C1CN 2C", | |
| "[C@H]( [C@@H](O)C", | |
| "(=O)[C@@H]%2 3C", | |
| "1) C(=O)N", | |
| ".c1(N) ccn4c(=O)n1", | |
| ".N%17 %12", | |
| "[C@H]3C c4ccc(O)", | |
| "N14 CCNCC1", | |
| ".S5 (=O)(=O)", | |
| "(=C) C2", | |
| "CC4 .N3(C)C", | |
| ".N1(C) C(=O)", | |
| ".N58 7", | |
| "C3C 4", | |
| "N=C (N)", | |
| "S(N) (=O)", | |
| "(C2 C(=O)O", | |
| ".[C@H]6 (C)O", | |
| "[C@H]1CC [C@]2(C)O", | |
| ".S3 4", | |
| "/C=C/C=C /", | |
| "NC1 =O.C", | |
| "O6 8", | |
| "=7 CCC", | |
| ".[Na+].[Na+] .O", | |
| "(C)C1 =O", | |
| ".[N+]1 (C)(C)", | |
| ".C1C [C@H]2C", | |
| ".N13 CCC[C@H]1", | |
| ".O=S(=O) (O)", | |
| "#C c1", | |
| "[C@@H]4C [C@H](O)CC", | |
| ".OC (C)=O.N", | |
| "c2ccc(Cl) cc2C", | |
| ".N1%11 CCC", | |
| ".C13 CC1", | |
| ".C=6 C(=O)O", | |
| "O8 7", | |
| "(C(N)=O) [C@@H](C)O", | |
| "(=O)CCCC CC", | |
| ".N4C (=N)N", | |
| ".N15CC CC1", | |
| ".[C@@H]14 O[C@H]8", | |
| ".C=5C(=O)O .C=5C(=O)O", | |
| "[C@]4(C)[C@H]3CC [C@]2(C)", | |
| "C1CN (C)CCN1", | |
| "[C@H](O)[C@@H](O) [C@@H]1O", | |
| "[C@H](O)[C@@H](O) [C@@H](", | |
| "[C@H]2[C@@H]3C [C@H](F)C4", | |
| ".C(=O)(O)C 3", | |
| ".[C@H]3 (C)C", | |
| ".C3(=O)C O", | |
| "cc(C)c(=O)[nH] c1=O.C", | |
| "ccc(N)nc1=O .[C@H]1", | |
| "ccc(N)nc1=O .n1", | |
| "c(C= 6", | |
| "[C@H]5C )C(=O)O", | |
| ".C%22 (=O)[C@@H]", | |
| ".C9(=O)[C@@H] 6C", | |
| ".N36 .c14", | |
| ".[C@H]14C [C@H](N)[C@H](O)[C@H](C)O1", | |
| "[C@@H]4[C@H]3CC [C@@]215", | |
| ".O=C1 O", | |
| "[C@H]2[C@@H]3CC c4", | |
| ".[C@H]%12 (CCCCN)C", | |
| "NC(=O)C NC(=O)[C@H]", | |
| "[C@@H]3O .N2C", | |
| "[C@@]2(O) [C@@H]3CCCN3C(=O)", | |
| "ccc(S 3(=O)=O)cc1", | |
| "cn(C) c2ccccc12", | |
| "[C@@](C)(O) [C@H](O)", | |
| "O4C [C@@]5", | |
| "c(C#N) cnc2", | |
| "c2cc(Cl) ccc2", | |
| "P(=O)(O) O)", | |
| "ncnc2[nH] cnc12", | |
| "5=O) C13", | |
| "c2ccc4 cc21", | |
| ".C15CC CC1", | |
| ".C15CC CCC1", | |
| "(O /C=C/", | |
| "[C@@H](C)C(=O) [C@H](C)C", | |
| "CCN3 CC1", | |
| "(=O)[C@@H]8C (C)C", | |
| ".S(N) (=O)(=O)c1", | |
| "[C@@]2(C)[C@@H] (CC", | |
| "c%13 c1", | |
| ".[C@@H]17CC C(=O)N1", | |
| "[C@H](O)[C@@H]1O .[Na+]", | |
| "ccc([N+](=O)[O-]) cc1", | |
| "[P @](=O)", | |
| ".C13CC CC1", | |
| ".C16CC CC1", | |
| "C(C [C@H]5C)C(=O)O", | |
| "c2ccc(F) cc21", | |
| "cc2c(cc1Cl) N", | |
| ".C(C)CCCC CC2", | |
| "O75 .O46", | |
| ".FC (F)(F)", | |
| "[C@H]2CC[C@@H](C1) N2", | |
| "(C9=O) =C(C)", | |
| "c2cs c(n2", | |
| ".c13cc(O)cc(O) c1", | |
| ".N%137 .C%13", | |
| "=CC(=O)C=C[C@]3(C) [C@@]12F", | |
| "C(=O)N(C)CC(=O)N(C)[C@@H] 7", | |
| "[C@]23c4c5 ccc(O)c4", | |
| "c5c4[C@@]2( CCN3", | |
| ".c1cc(C)ccc1 S(=O)(=O)O", | |
| "[C@@]2(C)C=CC(=O)C=C1 2", | |
| "C(C[C@H]5C)C(=O)O .[C@H]15CC", | |
| "(C9=O)=C(C) N1", | |
| "- c1ccccc1", | |
| "- c2ccccc21", | |
| ". CC1", | |
| ". CC8", | |
| "2 C(=O)O", | |
| "3 6", | |
| "3 .C3C", | |
| "4 .c13", | |
| "4 .O9C", | |
| "4 c2n1", | |
| "5 .n1", | |
| "5 (C)(C)C", | |
| "5 .O%13", | |
| "6 .c14", | |
| "6 CCO1", | |
| "7 =O)", | |
| "7 %10", | |
| "7 .C8C", | |
| "7 .N54", | |
| "8 7", | |
| "8 O", | |
| "8 %10", | |
| "9 C(=O)", | |
| "9 .c16", | |
| "9 =O.N9", | |
| "= CC1", | |
| "C %15", | |
| "C (CC", | |
| "C %19", | |
| "I ]", | |
| "N (", | |
| "N (CC", | |
| "N %20", | |
| "N [C@H]4", | |
| "N S2(=O)=O", | |
| "N [C@H]7C1", | |
| "O .C", | |
| "O %15", | |
| "O CC2", | |
| "P (O)(O)O", | |
| "c %18", | |
| "c -2", | |
| "n cc1", | |
| "n nc1", | |
| "n cc1Cl", | |
| "o c2", | |
| "o c5", | |
| "o c2c1", | |
| "o c(=O)o", | |
| "cc (N)", | |
| "c1 cc2", | |
| "c1 =O.O", | |
| "c1 c(Cl)", | |
| "c1 cc2c(cc1", | |
| "c1 ccc2[nH]", | |
| "CC [C@@H]2", | |
| ".C N", | |
| ".C S(=O)(=O)O", | |
| ".C (F)(F)", | |
| ".C %19C", | |
| ".C %65", | |
| "(C 9", | |
| "(C S", | |
| "(C N)", | |
| "(C =C", | |
| "(C %17", | |
| "(C %17C", | |
| "(C %39", | |
| "(C O6", | |
| "(=O) =O.N", | |
| "(=O) [C@H](O)", | |
| "(C) (O)C", | |
| "(C) c3", | |
| "(C) =O.c1", | |
| "(C) [C@H](C)O", | |
| ".c1 c7", | |
| ".c1 c8", | |
| ".c1 ccc2c(c1)", | |
| ".c1 ccc2cc1", | |
| ".N c1", | |
| ".N (C)C", | |
| ".N %17C", | |
| ".N %70", | |
| ".N %67", | |
| ".N %74", | |
| "[C@@H] (C=", | |
| "[C@H] 5CC", | |
| "[C@H] %11C", | |
| "[C@H] %19C", | |
| ".O %16C", | |
| ".O C43", | |
| "ccc %16", | |
| "%10 C1", | |
| "%10 C(C)C", | |
| "C(=O) (O)C", | |
| "C(=O) C4", | |
| "c2 ccc(O)", | |
| "c2 c5", | |
| "c2 c6", | |
| "c2 ccc6", | |
| "c2 c(N)nc", | |
| "c2 cccc(F)", | |
| "c2 c(N)ncnc21", | |
| "c2 nc(", | |
| "(C)C =6", | |
| "cc1 F)", | |
| "%2 2C", | |
| "%11 7", | |
| "CCC =4", | |
| "CCC (N)=O.C", | |
| "ccccc1 3", | |
| "%12 CC", | |
| "%12 %11", | |
| "%12 %13", | |
| "[C@H]1 2C", | |
| "[C@H]1 [C@@H]3CC", | |
| "(N) C", | |
| "C1 CCCC", | |
| "C1 .c16", | |
| "C1 (F)F", | |
| "C1 .n1", | |
| "C1 6CC1", | |
| "[C@@H]1 %14", | |
| "nc %13", | |
| "=C /", | |
| "CC1 =O)", | |
| ".C5 (=O)[O-]", | |
| ".C5 C7", | |
| ".C5 CCC4", | |
| ".C5 8=O.N", | |
| "%13 %12", | |
| "%3 8=O.[C@H]", | |
| ".C1 (C)C", | |
| ".C1 =C", | |
| ".C1 (=O)O", | |
| ".C1 (F)(F)F", | |
| ".C1 C2", | |
| ".C1 (N)=O", | |
| ".C1 CCCN", | |
| ".C1 8CC", | |
| ".C1 =6", | |
| ".C1 (=C)", | |
| ".C1 %10CC1", | |
| ".C1 23C(=O)N", | |
| ".C6 %11", | |
| ".C6 CN", | |
| ".C6 (=O)[C@@H]%2", | |
| ".C6 (=O)CCC", | |
| ".C6 C5=O", | |
| ".N1 2C", | |
| ".N1 4C", | |
| ".C7 CN", | |
| ".C7 6=O.N", | |
| ".C7 CC5", | |
| ".C4 C5", | |
| ".C4 [C@H](O)C", | |
| "l) [C@@H](O)", | |
| ".[C@H] %16", | |
| ".[C@H] %21", | |
| ".[C@H] %30", | |
| ".[C@H] %42", | |
| ".[C@H] %40", | |
| ".[C@H] %37", | |
| ".[C@H] %62", | |
| ".[C@H] %44", | |
| ".[C@H] %46", | |
| "[nH] c4", | |
| "[nH] c1=O", | |
| "%14 9", | |
| ".c14 cs", | |
| ".c14 cccc2c1", | |
| ".c14 cccs1", | |
| ".c14 ccc(F)cc1F", | |
| "CCN C", | |
| "CCN C1", | |
| "CCN 4CC", | |
| "CCN C1=O", | |
| ".C3 CC", | |
| ".C3 C4", | |
| ".C3 C2", | |
| ".C3 (C)CC", | |
| ".C3 CC5", | |
| ".c15 n", | |
| ".c15 ccc7", | |
| ".c15 cnc2", | |
| ".c15 cc(Cl)", | |
| ".c15 cc7", | |
| ".c15 ccc2[nH]", | |
| "(=O)[C@@H] %19", | |
| "(=O)[C@@H] %22", | |
| "(=O)[C@@H] %26", | |
| "(=O)[C@@H] 6CCC", | |
| "[C@@] (O)(C", | |
| "%15 (CCC", | |
| "nc2 -", | |
| "nc2 cc", | |
| "nc2 cc7", | |
| ".C8 C3", | |
| ".C8 (=O)C=C", | |
| ".C8 5=O.N", | |
| "C(=O)N [C@H](C)", | |
| "2C (", | |
| "2C (C)C", | |
| "CCCC 3", | |
| "CCCC CC(=O)O", | |
| ".c16 ccc", | |
| ".c16 cn", | |
| ".c16 cc5", | |
| "(=O)C 5", | |
| "(=O)C 9", | |
| "5C 6", | |
| "5C [C@H]", | |
| ".C= 1", | |
| ".C= %15", | |
| ".C= 8C", | |
| ".C= 5CC", | |
| "(O)C 2", | |
| "cc2 n1C", | |
| ".C9 (=O)O", | |
| ".C9 (N)=O", | |
| ".C9 6=O", | |
| ".C9 (=O)[C@H]", | |
| ".C9 C8", | |
| ".C9 CC(=O)O", | |
| ".C9 (=O)[C@@H]%3", | |
| ".c13 ccc(O)cc1", | |
| ".c13 ccc6", | |
| ".c13 cccc7c1", | |
| ".[C@H]1 2", | |
| ".[C@H]1 %17", | |
| ".[C@H]1 %10C", | |
| ".[C@H]1 7CC", | |
| ".[C@H]1 (O)C[C@@]2(C)[C@@H](C", | |
| "7C 2", | |
| "7C %10", | |
| ".c17 cc6", | |
| ".c17 ccc4cc1", | |
| ".c17 ccc3cc1", | |
| ".[C@@H]1 %10", | |
| ".[C@@H]1 %15", | |
| ".[C@@H]1 4CC", | |
| ".[C@@H]1 %10C", | |
| ".[C@@H]1 8CC", | |
| ".[C@@H]1 %10CC", | |
| "N1 2C", | |
| "N1 7CC", | |
| ".Cl C1", | |
| ".Cl .c18", | |
| ".Cl .C45", | |
| "%16 =O.O", | |
| "%6 1C", | |
| "c2cc %11", | |
| ".C%10 O", | |
| ".C%10 (C)=O", | |
| ".C%10 7=O", | |
| ".C%10 (=O)[C@H]", | |
| ".[N -]", | |
| ".c18 cc%10", | |
| ".c18 ccc%10cc1", | |
| ".c18 ccc4cn1", | |
| ".S 1", | |
| ".S 4C", | |
| "[C@H](O) [C@@]3", | |
| "[C@H](O) [C@@H](O)[C@H]1O", | |
| "(F)(F)F .C4", | |
| "(F)(F)F .c14", | |
| "NC(=O) [C@@H](C)", | |
| "=O.O 5C", | |
| "=O.O 8C", | |
| "=O.O 35", | |
| "=O.O %10C", | |
| "=O.O %12C", | |
| "c3 n1", | |
| "c3 ccc7", | |
| "c3 cc(F)", | |
| "c3 cnn", | |
| "c3 c(I)c1", | |
| "%17 .C%18", | |
| "c(=O) ccc12", | |
| "=O.C %15", | |
| "=O.C %22", | |
| "=O.C %24", | |
| "=O.C %32", | |
| "9C 2", | |
| ".[C@@H] (N)", | |
| ".[C@@H] %25", | |
| ".[C@@H] %28", | |
| "[C@H]2 C1", | |
| "[C@H]2 CCCC", | |
| "C4 6", | |
| "C4 (F)F", | |
| "C4 (C)=O", | |
| "C4 (=O)N", | |
| "C4 (=O)[C@@H]5", | |
| "(C)O C", | |
| "[C@@H](O) C(=O)O", | |
| "[C@@H](O) [C@H](N)", | |
| "[C@@H](O) [C@H](C)O1", | |
| "C2 )", | |
| "C3 (C)C", | |
| "C3 (C)=O.O", | |
| ".[Na+] .C%11", | |
| "c4 cc2", | |
| "c4 c(F)", | |
| "c4 cc3", | |
| ".c19 ccc4cc1", | |
| "%20 =O.N", | |
| ".C%11 CC", | |
| ".C%11 (F)(F)F", | |
| ".C%11 CO", | |
| ".C%11 6=O", | |
| ".N4 6.C5", | |
| ".N7 %11", | |
| "ccc(Cl) c8c1", | |
| "C5 O", | |
| "C5 C(=O)O", | |
| "ccc(O) c5c1", | |
| "=O.c1 %13", | |
| "=O.c1 %15", | |
| "=O.c1 %20", | |
| "c14 cccc", | |
| "[C@@H]3 CCC4", | |
| "[C@@H]3 [C@]4", | |
| "[C@@H]3 [C@H]([C@@H](O)C", | |
| "C6 (C)=O", | |
| "C6 7=O", | |
| "C6 4.C3", | |
| "c5 c3", | |
| "c5 c(C)", | |
| "c5 c[nH]c12", | |
| "c2ccccc2 n1", | |
| "[C@@]2 5O", | |
| "c6 nc", | |
| "c6 nc2", | |
| "c15 cc", | |
| "N2 CCN", | |
| "[C@]1 5", | |
| ".N8 6C", | |
| "NC(=O)[C@H] 3", | |
| "NC(=O)[C@H] 9", | |
| ".C2 C(=O)O", | |
| ".C2 (=O)C1=C(C)NC(C)=C(C", | |
| "C= C1", | |
| "C= 4C", | |
| "c(O) cc1O", | |
| "c(O) c6cc2", | |
| "[C@H]3 [C@@H]1", | |
| ".O%10 %14", | |
| "ncc n1", | |
| ".C%13 %10=O", | |
| ".O4 6.C5", | |
| ".N%10 %13", | |
| ".N%10 %15", | |
| "cn1 .c17", | |
| "cn1 c23", | |
| "c13 ccc(O)cc1", | |
| ".O6 4", | |
| ".N%11 C", | |
| ".N%11 (C)C", | |
| "4CC CCN", | |
| "=CC (=O)O", | |
| "nn 6", | |
| "c(Cl) cn", | |
| "ccc4 c(Cl)c1", | |
| "(CCC )C", | |
| "(CCC (N)=O)", | |
| "ccc3 c4c1", | |
| "(C)(C) C(=O)", | |
| "(C)(C) CCC2", | |
| "c2c1 )", | |
| "[C@@H](C) [C@H]5", | |
| "[C@@H](C) CC1(C)C", | |
| "4=O .c15", | |
| "c(F) c7", | |
| "c(F) cc3", | |
| ".c14ccccc1 .c12ccccc1", | |
| "[N+] ([O-])", | |
| "[N+] 2(C)C", | |
| "c16 cccnc1", | |
| ".c1cc 3", | |
| ".c1cc %11", | |
| ".O=C ([O-])", | |
| "6=O .[C@H]", | |
| "(C# CC", | |
| ".O%11 8", | |
| ".O%11 %13", | |
| "[C@]2 (O)O", | |
| "[C@]2 (O)CC", | |
| "[C@H]1O 5", | |
| "[C@@H]4 O", | |
| "[C@@H]4 C1", | |
| "[C@@H]4 [C@H]2SC1", | |
| ".N16 CCCC1", | |
| ".N%12 C", | |
| ".N%12 %14", | |
| ".N%12 %23", | |
| ".c13ccccc1 .Cl", | |
| "(=O)N O", | |
| ".O9 3", | |
| ".O9 4", | |
| ".C7C 9", | |
| ".C%3 2", | |
| "cn 7", | |
| ".c1%11 ncnc2", | |
| "O[C@@H] 6", | |
| "C(=O)N[C@@H] %10", | |
| "C(=O)N[C@@H] %12", | |
| "C(=O)N[C@@H] %15", | |
| "cc3 c1", | |
| ".N%13 5", | |
| ".N%13 8", | |
| ".N%13 %10", | |
| ".N%13 C(=N)N", | |
| ".O= c1[nH]", | |
| "cc7 ccc1C", | |
| ".C3C .c14ccccc1", | |
| "7CC CCC1", | |
| ".c16ccccc1 5", | |
| "(O)CC CCC1", | |
| "[C@H]1C )", | |
| "[C@H]1C =C", | |
| ".[N+] 65", | |
| "2) C(=O)", | |
| "2) cc1", | |
| ".N2 3", | |
| ".[C@]1 3", | |
| "6CC (=O)O", | |
| "[C@@]3 4", | |
| "[C@@]3 (C)", | |
| "[C@H]4 [C@H](C)CC", | |
| "CCCN1 7", | |
| "CCCN1 %11", | |
| "CCCN1 %27", | |
| "nc(N) c2", | |
| "c(=O)[nH] c1=O", | |
| "c(=O)[nH] c2ccccc21", | |
| "[C@H]6 C(=O)N2", | |
| "[C@@H]1C (=C(O)", | |
| ".[ Al]", | |
| "N5 (C)C", | |
| "SC (", | |
| ".N%5 8", | |
| ".N18 CC", | |
| "[C@]3 (C)[C@@H]", | |
| "%9 3", | |
| "%9 8", | |
| ".N19 CCN8CC1", | |
| ".N19 CCN%10CC1", | |
| ".N19 CCC7CC1", | |
| ".C9C (N)=O", | |
| ".N%14 4", | |
| ".N%14 5", | |
| ".N%14 C(=N)N", | |
| "6.C5 (C)C", | |
| "6.C5 4=O", | |
| ".N17 C(=O)", | |
| "3) C2", | |
| "nn1 8", | |
| "cc(O) c(O)c([N+](=O)[O-])c1", | |
| "N3 6", | |
| "C9 %10=O", | |
| "ccc%10 nc1", | |
| ".n15 cnc2", | |
| "2CC CC1", | |
| "C) C2(C)C", | |
| ".C%5 1", | |
| ".C%5 2", | |
| ".C%5 3", | |
| ".C%5 4", | |
| ".C%5 5", | |
| ".C%5 6", | |
| ".c15cccc (Cl)", | |
| ".c15cccc 4c1", | |
| ".c15cccc %10c1", | |
| "C(=O)N2 CCC[C@H]2", | |
| ".N15 CCN(C)CC1", | |
| ".N15 CCC7CC1", | |
| ".C(=O) (O)CC(O)(CC(=O)O)C(=O)O", | |
| "CCCCCCCC CCCCCCC", | |
| "N2C(=O) [C@@H]8", | |
| "[C@@H]2C (=C", | |
| ".C%10C %11", | |
| "[C@@H]5 O", | |
| ".O%14 %10", | |
| ".O%14 %11", | |
| ".c14cccc (Cl)c1", | |
| "[C@H]5 C1", | |
| "c%10 c1", | |
| "N8 4", | |
| "[C@@H]3C [C@H](F)C4", | |
| "c(I) c1.c14", | |
| ".[C@H]4 (CC", | |
| ".N%15 4", | |
| "nc(C) n1", | |
| "%41 =O", | |
| ".n16 cnc2", | |
| "23 C(=O)[N-]", | |
| "4O [C@@H]3", | |
| "[C@@H]( O4C[C@@]5", | |
| "[C@H](C =C", | |
| ".C1CN 8", | |
| ".C1CN 9", | |
| "nc7 n1", | |
| "(CCC(=O) [O-])", | |
| "N6 (C)C", | |
| "c1cccc (", | |
| "c1cccc 6c1", | |
| "c2c( c3ccccc3", | |
| "O3 4", | |
| "O3 .O5C", | |
| ".O%15 5", | |
| "N14 CCN(C)CC1", | |
| "N14 c2ccccc2Sc2ccccc21", | |
| ".S5 (C)(=O)=O", | |
| ".S5 (=O)(=O)c1ccc(N)cc1.c13", | |
| "c%11 c(O)", | |
| "(=O)[C@@H]%4 8CC", | |
| ".[C@]12 (C)C", | |
| "n(C) c1", | |
| ".[C@H]7 (C)C", | |
| ".[C@@H]15 O[C@H]4", | |
| ".n17 cnc2", | |
| "(# C)", | |
| "O7 6", | |
| "cnn 7c1", | |
| "ncn n2", | |
| ".C%20 C", | |
| ".C%20 (=O)[C@@H]", | |
| ".C%23 (=O)C", | |
| ".S6 8", | |
| ".S6 (C)(=O)=O", | |
| "C5C .C(#C)[C@]1", | |
| "cn2 n1", | |
| "C3=O .C5(C)=O", | |
| "/C=C/C=C (/C", | |
| "C4C (C)C", | |
| "c1%10 ccccc1", | |
| "c2[nH] c(=O)ccc12", | |
| "[C@]12C .O35", | |
| ".c1%14 ccc(O)cc1", | |
| "nc8 c2", | |
| ".C16 3", | |
| ".[C@H]8 (CC(C)C)C", | |
| ".[N+]1 2", | |
| ".[N+]1 6", | |
| ".[N+]1 (C)(C)C", | |
| "O[C@H]1 C(=O)CC", | |
| "C1C =C", | |
| ".C(C)CC 2C", | |
| ".N%20 C(=N)N", | |
| "c2ccc(Cl) cc2", | |
| ".C14 CCNCC1", | |
| ".N%21 C(=N)N", | |
| "O8 9", | |
| "O8 %12", | |
| "cc%11 c1", | |
| "(=O)CCCC CCC", | |
| ".C7(=O)C 8", | |
| "[C@@H]6C 2", | |
| "=O.c1%10 ccccc1", | |
| "(=O)(=O)c1 ccc(Cl)", | |
| ")OCO 3", | |
| "[C@]4(C)[C@H]3CC [C@@]21C", | |
| ".C%21 (=O)C", | |
| "cc1O c1ccc(", | |
| ".[C@H]%13 (CC(C)C)C", | |
| "ccc1C #N", | |
| "(S 8", | |
| "N%10 7", | |
| "=O.N5 9", | |
| "c2cc3 cc1Oc1ccc(", | |
| "NC(=O)[C@@H] %14", | |
| ".C(N) (=O)C", | |
| ".N25 4", | |
| ".[O-] [N+]", | |
| "ncccc1 2", | |
| "[C@]2(C) [C@@H]3CC", | |
| "[C@H]2[C@@H]3CCC4=CC(=O)CC [C@]4(C)[C@H]3CC[C@]12C", | |
| "nc%11 c1", | |
| "N16 CCOCC1", | |
| "S(=O)(=O)[O-]) cc2", | |
| ".N6C (=N)N", | |
| ".N17CC CC1", | |
| "[C@@]2(O) [C@H]3Cc4ccc(O)", | |
| "(CC(C)C) C(=O)O", | |
| "[C@@H]1[C@@H]2CC [C@@]25", | |
| ".C5C6 =O", | |
| "c2cc(Cl) ccc21", | |
| "[n-] c(", | |
| ".C(C)(C) [C@H](N)", | |
| "C(=O)c1 c6", | |
| "=C(N) N", | |
| ".S%10 (C)(=O)=O", | |
| "S6 (=O)=O", | |
| "S8 (=O)=O", | |
| ".[C@@H]18 O[C@H]6", | |
| ".S(N) (=O)(=O)", | |
| "/C(C)=C \\C", | |
| ".[C@@]12 6OC(C)(C)O[C@@H]1C[C@H]1", | |
| ".O24 .C4C", | |
| "(C)C4 =CC(=O)CC", | |
| "(=O)[C@@H]%14 CC(=O)O", | |
| "C(=O)N(C) [C@@H]2", | |
| "c(=O)c5 cn1c23", | |
| "[P @@", | |
| ".N9C (=N)N", | |
| "=O.C%16 (=O)C", | |
| "c2ccccc2CC c2ccccc21.Cl.C3", | |
| "ncc(F) cn1", | |
| "N54 .S5(=O)(=O)c1ccc(N)cc1.c13", | |
| ".c1%28 ccccc1", | |
| ".C16CC CCC1", | |
| "cc(I) c3c(I)c1", | |
| ".[N+]3 (C)(C)C", | |
| "[C@H](N)C [C@@H]1N", | |
| "/C(=N/ O)", | |
| "(C2) C(=O)N", | |
| "(C3) C2", | |
| "c2ccc( S(=O)(=O)[O-])cc2", | |
| "=O.O= S(C)(=O)O", | |
| "[C@@]3(C)C[C@H](O) [C@]2", | |
| "[C@@]3(C)C[C@H](O) [C@@]12F", | |
| "[C@H](C)[C@H](O) [C@@H](C)", | |
| ".[C@@]17 6CC", | |
| "O46 .N53", | |
| "2=C (C)[C@@H]", | |
| ".C5(C)=O.O 57", | |
| ".c14ccc2c(c1) N3c1ccccc1S2", | |
| ".C=%14 C(=O)O", | |
| ".C2CC4 3", | |
| "c(F)cc2 c1=O", | |
| "(=O)(=O)C1 CC1", | |
| "[C@@]3(O) [C@H]1C5", | |
| "(F)(F)F) C(F)(F)F", | |
| "[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H]4 [C@@H]3[C@H]1O)", | |
| ".P(=O)(O) (O)O", | |
| "c- 3", | |
| "[C@@H](CCC 3", | |
| ".[C@@H]14O [C@H]3", | |
| "c3c4c( c5", | |
| "(=C1 C)C2(C)C", | |
| "C4(C)=O.O46 .[C@]12(C)CCC(=O)C=C1CC", | |
| "c6cc ccc6", | |
| "c1ccc9 cc1", | |
| "c(F)cc(F) cc1F", | |
| "c2cc3c( cc2", | |
| "C123C(=O)NC(=O)NC1=O.C (=C)C2", | |
| "/C(=C /", | |
| "C(=O)C[C@H](O)C (C)(C)C(=O)", | |
| "[C@H]2[C@@H]3C=C (C)C4=CC(=O)CC", | |
| "/c( =N", | |
| "c2ncc nc2", | |
| "cc2c(c1 =O)COC(=O)", | |
| "ccc2c(c1)OC (F)(F)O2", | |
| ".c1(N)ccn4c(=O)n1 .C3O", | |
| "[C@H]2[C@@H]3C[C@H](F)C4 =CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", | |
| "[C@@](C)(O)[C@H](O) [C@@H](C)C(=O)[C@H](C)C", | |
| "[C@]23c4c5ccc(O)c4 O[C@H]2", | |
| ".C(F)(F) (F)", | |
| ".N%17C (=N)N", | |
| "ccc%16 cc1", | |
| ".C123C(=O)N =C([O-])", | |
| ".C85=O.N 8", | |
| "[C@H](O)[C@@]3 (C)C(=O)", | |
| "C4(=O)[C@@H]5 N", | |
| "[C@@H](O)[C@H](N) [C@H]1O", | |
| "[C@@H]3[C@H]([C@@H](O)C [C@@]4(C)", | |
| "c(Cl)cn cc1Cl", | |
| "(C)(C)CCC2 (C)C", | |
| "[C@@H](C)[C@H]5 [C@@H](C)C(=O)O", | |
| "c(F)cc3 c(=O)c5cn1c23", | |
| ".[Al] (O)(O)O", | |
| "N2C(=O)[C@@H]8 [C@H]2SC1(C)C", | |
| "c2cc3cc1Oc1ccc( cc1C", | |
| "[C@@]2(O)[C@H]3Cc4ccc(O) c5c4[C@@]2(CCN3", | |
| "( S(=O)(=O)O)", | |
| ") C2", | |
| "/ N", | |
| "/ C1=C", | |
| "1 .C6", | |
| "2 5", | |
| "2 \\", | |
| "2 =O.N6", | |
| "3 .N", | |
| "3 cc1", | |
| "3 .C1", | |
| "3 C(=O)O", | |
| "3 )O", | |
| "4 .c18", | |
| "4 %19", | |
| "4 =O.N%12", | |
| "4 [C@@]5", | |
| "4 )C(=O)N", | |
| "5 3", | |
| "5 N", | |
| "5 .c13", | |
| "6 n1", | |
| "6 .Cl", | |
| "6 .C4(F)(F)F", | |
| "7 .c1", | |
| "7 (C)C", | |
| "7 .c18", | |
| "7 .C%11", | |
| "7 .c1%10", | |
| "8 .c1", | |
| "8 cn1", | |
| "8 .O8C", | |
| "8 CC(=O)O", | |
| "8 .C%40", | |
| "9 6", | |
| "9 CC", | |
| "C [C@H]", | |
| "C %16", | |
| "C [C@H]1C", | |
| "C %30", | |
| "C #N", | |
| "C /C=C/C", | |
| "C (Cl)(Cl)", | |
| "C (CCCCCC)", | |
| "F .C6O", | |
| "H +]", | |
| "N \\", | |
| "N C(=O)O", | |
| "N C(=O)N", | |
| "N %17", | |
| "N %13C", | |
| "N C2=O)", | |
| "N CCCN14", | |
| "O CO", | |
| "O C(=O)C", | |
| "O C(=O)C=", | |
| "O CCO2", | |
| "O [C@@]2(O)[C@@H]3CCCN3C(=O)", | |
| "S C(=O)NC1=O", | |
| "[ K+]", | |
| "\\ O)", | |
| "c %15", | |
| "c [n+]([O-])", | |
| "n nc5", | |
| "o nc(C)", | |
| "s c(C)", | |
| "s c7", | |
| "s c16", | |
| "cc ccc", | |
| "cc %16", | |
| "cc ccc4", | |
| "cc (C=", | |
| "cc -2", | |
| "cc sc1", | |
| "c1 %15", | |
| "c1 c(", | |
| "c1 c2c(", | |
| "c1 nc3", | |
| "c1 (=O)[nH]", | |
| "c1 =S", | |
| "[C l-]", | |
| "=O .c13", | |
| "CC c1", | |
| "CC =6", | |
| ".C c1", | |
| ".C %63", | |
| ".C %66", | |
| ".C O8", | |
| ".C (CC(=O)O)C(=O)O", | |
| ".C (C4", | |
| ".C (CCCCCC)", | |
| "(C %12", | |
| "(C =C2", | |
| "(C %15C", | |
| "=O) NC(=O)", | |
| "(=O) C1", | |
| "(=O) CC1", | |
| "(=O) C(=O)O", | |
| "(=O) [C@@H]13", | |
| "(C) [C@H]3O", | |
| ".c1 c4", | |
| ".c1 c5", | |
| ".c1 ncc", | |
| ".c1 %29", | |
| ".c1 %30", | |
| ".c1 %40", | |
| ".c1 ccc%10cc1", | |
| ".c1 cncc", | |
| ".N %16C", | |
| ".N %61", | |
| ".N %72", | |
| "[C@@H] %22", | |
| "[C@@H] %14C", | |
| "[C@H] %14", | |
| "[C@H] %17", | |
| "[C@H] %18", | |
| "[C@H] 4CC", | |
| "[C@H] (CO)[C@@H](O)[C@H](O)", | |
| ".O %22", | |
| ".O %27", | |
| ".O C(=O)C", | |
| ".O .[C@H]5", | |
| ".O %39", | |
| ".O C(=O)CC", | |
| ".O [C@H](CO)[C@@H](O)[C@H](O)", | |
| "ccc [n+]", | |
| "O) O", | |
| "O) C(=O)", | |
| "(O) c2ccccc2", | |
| "(O) =C3", | |
| "%10 5", | |
| "%10 =O)", | |
| "%10 n1", | |
| "C(=O) C1", | |
| "C(=O) [C@H](C)C", | |
| "C(=O) [C@@H]2CC", | |
| "C(=O) [C@@H]7", | |
| "C(=O) (O)CC(O)(CC(=O)O)C(=O)O", | |
| "C(=O) c4c(O)", | |
| "C(=O) [C@]2(O)O", | |
| "cccc 3", | |
| "cccc (C)", | |
| "cccc (O)c1", | |
| "c2 c(N)", | |
| "c2 c7", | |
| "c2 o1", | |
| "c2 c(=O)n", | |
| "c2 cc1F", | |
| "(C)C (", | |
| "(C)C %4", | |
| "(C)C %5", | |
| "(C)C [C@@H]2O", | |
| "cc1 )", | |
| "cc1 ccc3", | |
| "%2 6C", | |
| "%2 8C", | |
| "%11 .C%15", | |
| "(F) c12", | |
| "(F) [C@@]2(C)C=CC(=O)C=C12", | |
| "n1 .c18", | |
| "n1 .C%11", | |
| "n1 cnc5", | |
| "n1 c-3", | |
| "CCC O1", | |
| "%12 .O", | |
| "%12 .C%13", | |
| "%12 .O%12C", | |
| "[C@H]1 CCC", | |
| "[C@H]1 7C", | |
| "[C@H]1 C=", | |
| "[C@H]1 C(=O)N2", | |
| "[C@H]1 [C@H](O)CC", | |
| "(N) C8", | |
| "C1 7", | |
| "C1 (C", | |
| "C1 (=O)C", | |
| "C1 CO", | |
| "C1 5CC", | |
| "C1 (C)(C)", | |
| "C1 CCCN", | |
| "C1 =3", | |
| "C1 CCCCC1", | |
| "[C@@H]1 [C@@H]3", | |
| "[C@@H]1 [C@]3", | |
| "nc nc12", | |
| "nc -2", | |
| "=C \\", | |
| "=C [C@@H]1C", | |
| "=C (C)C1=O", | |
| "CC1 =O", | |
| ".C5 C3", | |
| ".C5 7=O.N", | |
| ".C5 #C", | |
| ".C5 CCC6", | |
| ".C5 9=O.O", | |
| "%13 (C)C", | |
| "%13 .C9", | |
| "%13 .C%12", | |
| "%13 .N%14%10", | |
| "%3 5=O.N", | |
| "%3 8=O.N", | |
| ".C1 %11", | |
| ".C1 %12", | |
| ".C1 %15", | |
| ".C1 %11CC1", | |
| ".C1 (=O)NC(=O)", | |
| ".C1 =7CCC", | |
| ".C6 3=O", | |
| ".C6 7=O.N", | |
| ".C6 (C)=O.N", | |
| ".C6 9=O.O", | |
| ".C6 (=O)[O-].[Na+]", | |
| ".N1 C", | |
| ".N1 %15", | |
| ".N1 3C", | |
| ".N1 %19", | |
| ".C7 CO", | |
| ".C7 (=O)[O-]", | |
| ".C7 (=O)C=C", | |
| ".C7 2=O", | |
| ".C7 CC6", | |
| "ccc2 c6", | |
| ".C4 CCC", | |
| ".C4 %15", | |
| ".C4 C6", | |
| ".C4 CO", | |
| ".C4 (=O)[O-]", | |
| ".C4 6=O.N", | |
| ".C4 CC5", | |
| ".C4 CCCCC8", | |
| ".[C@H] %32", | |
| ".[C@H] %34", | |
| ".[C@H] %63", | |
| ".[C@H] %50", | |
| ".[C@H] %51", | |
| ".[C@H] %72", | |
| ".[C@H] (O)(C", | |
| "[nH] c1", | |
| "[nH] c(", | |
| "[nH] cnc1", | |
| "%14 %10", | |
| "%14 CC1", | |
| "%14 =O.N", | |
| "%14 .N5", | |
| "%14 .c1%11", | |
| "%14 .C%15", | |
| "%14 .C%12C", | |
| "%14 .[C@H]%15", | |
| ".c14 cc3", | |
| ".c14 cc(F)", | |
| ".c14 cc8", | |
| ".c14 ccc8cc1", | |
| ".c14 ccc%10", | |
| ".c14 ccncc1", | |
| ".c14 ccc%13cc1", | |
| "CCN 5C", | |
| "CCN C(C)C1", | |
| "%4 6=O.N", | |
| ".C3 2", | |
| ".C3 8", | |
| ".C3 (=O)[O-]", | |
| ".C3 (C)(C)C(=O)O", | |
| ".c15 nc2", | |
| ".c15 c(C)", | |
| ".c15 ccc(F)", | |
| ".c15 c7", | |
| ".c15 cc(C)", | |
| ".c15 c(I)", | |
| ".c15 ccncc1", | |
| ".c15 cccnc1", | |
| ".c15 nnn[nH]1", | |
| ".c15 ncc(C)", | |
| ".c15 cnn7c1", | |
| ".c15 ccc2c(c1)OC(F)(F)O2", | |
| "=O.N %23", | |
| "=O.N %33", | |
| "=O.N %49", | |
| "(=O)[C@@H] %60", | |
| "[C@@] 8", | |
| "[C@@] 9", | |
| "C(=O)O C2", | |
| "C(=O)O .N%14", | |
| "C(=O)O [C@H](C)", | |
| "[C@] 9", | |
| "%15 .C=", | |
| "%15 .N9", | |
| "%15 .C%12", | |
| "%15 .C%10C", | |
| "%15 =O.c1%17", | |
| "nc2 n1", | |
| "nc2 cc8", | |
| "nc2 cc9", | |
| ".C8 %11", | |
| ".C8 C6", | |
| ".C8 (=O)CC", | |
| ".C8 7=O", | |
| ".C8 (=O)[C@H]", | |
| ".C8 %10=O", | |
| ".C8 %11=O", | |
| "6C O", | |
| "6C .N57", | |
| "C(=O)N 6", | |
| "C(=O)N 3C", | |
| "C(=O)N [C@H](C", | |
| "C(=O)N C2=O)", | |
| "c( c(C)", | |
| "%5 5C", | |
| "CCCC 5", | |
| "CCCC 5=O", | |
| "CCCC [C@H]14", | |
| ".c16 c(C)", | |
| ".c16 cc8", | |
| ".c16 ccc9cc1", | |
| ".c16 cccs1", | |
| ".c16 ccc2cc1", | |
| ".c16 cccc2ccccc12", | |
| ".c16 c4no", | |
| "(=O)C =", | |
| "5C %17", | |
| "5C (=N)N", | |
| "5C .c13ccccc1", | |
| ".C= %12", | |
| ".C= 3CC", | |
| ".C= 2CC", | |
| ".C= 6c1", | |
| "(O)C (O)", | |
| "(O)C %10", | |
| "4C N", | |
| "cc2 c1C", | |
| "cc2 )cc1", | |
| "cc2 S1(=O)=O", | |
| ".C9 C6", | |
| ".C9 (=O)CC", | |
| ".C9 5=O", | |
| ".C9 CC8", | |
| ".c13 nc2", | |
| ".c13 cnc", | |
| ".c13 ccccc12", | |
| ".c13 cc6", | |
| ".c13 ccc7cc1", | |
| ".c13 cc2c(cc1", | |
| ".[C@H]1 %13", | |
| ".[C@H]1 %14", | |
| ".[C@H]1 3C", | |
| ".[C@H]1 %19", | |
| ".[C@H]1 2CC", | |
| ".[C@H]1 8CC", | |
| ".[C@H]1 %17C", | |
| ".[C@H]1 4O[C@@H]3", | |
| "3C 5=O", | |
| ".c17 cccc2", | |
| ".c17 ccc3", | |
| ".c17 cn", | |
| ".c17 ccn", | |
| ".c17 ccc8cc1", | |
| ".c17 ccc9cc1", | |
| ".c17 n[nH]", | |
| ".c17 ncc2", | |
| ".c17 c(F)cccc1F", | |
| ".[C@@H]1 2", | |
| ".[C@@H]1 (C)", | |
| ".[C@@H]1 (O)", | |
| ".[C@@H]1 3C", | |
| ".[C@@H]1 (C)CC", | |
| ".[C@@H]1 6CC", | |
| "N1 CC", | |
| "N1 %10", | |
| "N1 %11", | |
| "N1 %14", | |
| "N1 CCN", | |
| "N1 4C", | |
| "N1 8C", | |
| "N1 4CC", | |
| "N1 CC2", | |
| "(F)F .C1(F)(F)F", | |
| ".Cl .O6C", | |
| ".Cl .C7C6", | |
| ".Cl .C2(F)(F)F", | |
| "%16 .O%16", | |
| "%6 2C", | |
| ".n1 %10", | |
| "nc1 .c18", | |
| "(CC )C", | |
| ".C%10 C(=O)O", | |
| ".C%10 C6", | |
| ".c18 ccc5cc1", | |
| ".c18 ccc6cc1", | |
| ".c18 nc6", | |
| ".c18 ccccn1", | |
| ".c18 cccc5c1", | |
| ".c18 ncccn1", | |
| ".S 3C", | |
| ".S 35", | |
| ".S %10C", | |
| "[C@H](O) C1", | |
| "[C@H](O) CC1", | |
| "[C@H](O) [C@H]7", | |
| "[C@H](O) N3", | |
| "[C@H](O) [C@@H](C)O1", | |
| "NC(=O) C2", | |
| "NC(=O) [C@@H]7", | |
| "NC(=O) c2nc(", | |
| "=O.O 9C", | |
| "=O.O %11C", | |
| "=O.O %108", | |
| "=O.O 69", | |
| "8C O", | |
| "c3 cccc", | |
| "c3 ccc(Cl)", | |
| "c3 cccc2c1", | |
| "c3 cc(O)cc(O)", | |
| "c(=O) c1", | |
| "c(=O) c2c1", | |
| "c(=O) c2c(", | |
| "=O.C %21", | |
| "9C 5", | |
| "9C (=N)N", | |
| ".[C@@H] %17", | |
| ".[C@@H] %19", | |
| ".[C@@H] %64", | |
| "C4 (=O)[C@@H]", | |
| "C4 (C)(C)C", | |
| "C4 6=O", | |
| "C4 3=O", | |
| "[C@@H](O) [C@@H]2", | |
| "[C@@H]2 O1", | |
| "C2 N", | |
| "C2 (=O)O", | |
| "C2 CCl", | |
| "%18 .N3", | |
| "%18 =O.[C@H]", | |
| ".N5 %10", | |
| ".N5 %11", | |
| "C3 (=O)[O-]", | |
| "C3 C1=NCCN1", | |
| ".[Na+] .C", | |
| ".[Na+] .C54", | |
| ".[Na+] .[C@H]17", | |
| "c4 ccc(", | |
| "c4 ccccc3", | |
| "(C)CC C(=O)O", | |
| ".c19 ncc", | |
| ".c19 cc2c(", | |
| ".c19 ccc8cc1", | |
| ".C%11 8", | |
| ".C%11 O", | |
| ".C%11 (C)(C)C", | |
| ".C%11 (C)=O", | |
| ".C%11 9=O", | |
| ".N4 6C", | |
| "%19 =O", | |
| "%7 1C", | |
| "C5 3", | |
| "C5 (C)=O", | |
| "C5 7.c14", | |
| "C5 (=O)C8", | |
| "ccc(O) c6c1", | |
| "/C #N)", | |
| "c(C) c3", | |
| "c(C) c5", | |
| "c(C) n(C)", | |
| "c(C) n13", | |
| "=O.c1 (Cl)", | |
| "c14 ccc(F)cc1", | |
| "c14 ccc8cc1", | |
| "c14 nc5", | |
| "[C@@H]3 2", | |
| "[C@@H]3 C(=O)N[C@@H](C)", | |
| "[C@@H]3 [C@H](O)[C@@H]1O.[Na+]", | |
| "C6 5", | |
| "C6 (=O)C", | |
| ".N3 6C", | |
| ".N3 %32", | |
| "c2ccccc2 O1", | |
| "c2ccccc2 oc1=O", | |
| "c2ccccc2 -c2ccccc21", | |
| "[C@@]2 3C", | |
| "[C@@]2 (C)O", | |
| "(=N) N1", | |
| "c15 cc(C)", | |
| "c15 ccc6cc1", | |
| "c15 ccc3cc1", | |
| "N2 9", | |
| "N2 C1", | |
| "N2 4.c14", | |
| "[C@]1 (C)", | |
| "[C@]1 2CC", | |
| ".N8 %12", | |
| ".N9 %13", | |
| ".N9 %18", | |
| "CCC1 =O", | |
| "NC(=O)[C@H] (C", | |
| "([O-]) c2ncn", | |
| "c1ccc (C)cc1", | |
| ".C2 3", | |
| ".C2 4=O", | |
| ".C2 CCCCC", | |
| ".C2 (O)C6", | |
| "c(O) c7", | |
| "c(O) c(I)c1.c14", | |
| "c(O) c2ccccc2oc1=O", | |
| ".c12 cc4", | |
| ".c12 cc3", | |
| ".c12 ccc5cc1", | |
| ".c12 ccc3cc1", | |
| ".c12 ncn", | |
| ".c12 ccc(O)c(O)c1", | |
| ".c12 c(C)cccc1C", | |
| "[C@H]3 OC", | |
| "[C@H]3 O1", | |
| "[C@H]3 C(=O)N[C@H]1", | |
| "[C@H]3 [C@@H](O)C[C@@]12C", | |
| ")C S[C@H]12", | |
| "cnc %10", | |
| ".C%12 8", | |
| ".C%12 (=O)O", | |
| ".C%12 C6", | |
| ".C%12 7=O", | |
| ".C%12 C%10", | |
| "(N)=O .[C@@H]1", | |
| "ncc 4", | |
| ".C%13 %15", | |
| ".C%13 (F)(F)F", | |
| ".C%13 (=O)C8", | |
| ".O4 P(=O)(O)O", | |
| "[C@@]1 4", | |
| "[C@@]1 (C)C[C@@H]2O", | |
| ".N%10 C", | |
| "cn1 C", | |
| "cccc2 c14", | |
| "cccc2 c1C", | |
| "5CC C(=O)O", | |
| "5CC [C@@H]12", | |
| "c13 .Cl", | |
| "%23 .N%26", | |
| ".N%11 2", | |
| ".N%11 %14", | |
| ".N%11 C(=N)N", | |
| "4CC (=O)O", | |
| "ccc5 cc3", | |
| "ccc4 [C@H]3CC[C@@]21C", | |
| "c1cc (F)", | |
| "(CCC %4", | |
| "(CCC %5", | |
| "(CCC %12C", | |
| "(CCC %21C", | |
| "(C)(C) CCC1", | |
| "c7 cc4", | |
| "c2c1 =O", | |
| "[C@@H](C) N", | |
| "[C@@H](C) [C@@H]6", | |
| "[C@@H](C) [C@@](O)", | |
| "1C )", | |
| "%25 NC(=O)[C@H]", | |
| ".c14ccccc1 C", | |
| ".c14ccccc1 .N35", | |
| ".c1%10 ccc8", | |
| ".c1%10 ccc6cc1", | |
| ".c1%10 ccc9cc1", | |
| "ccc6 nn1", | |
| "ccc6 c8c1", | |
| "[C@@H](O)C 7", | |
| ".O8 7.c17", | |
| "[N+] (CCCC", | |
| "c16 ccc4cc1", | |
| "CN .C%14", | |
| "O[C@H] (C)", | |
| "O[C@H] %10", | |
| "O[C@H] (C)[C@@H]", | |
| "O[C@H] (C)[C@@H](O)", | |
| "C7 8", | |
| "C7 (C)C", | |
| ".c1cc (S", | |
| ".O=C (O)CCC(=O)O", | |
| "CC2 )", | |
| ".O%11 6", | |
| "[C@]2 (C)C(", | |
| ".c1(C) c5", | |
| ".c1(C) cc5", | |
| ".c1(C) cccc(C)", | |
| ".N16 CCCCC1", | |
| ".N%12 9", | |
| ".N%12 (C)C", | |
| ".O6C .O7C", | |
| "35 .[C@H]1(O)C[C@@]2(C)[C@@H](C", | |
| "(=O)N OC", | |
| "(=O)N [C@H](C", | |
| ".O7C .c13", | |
| "ccc8 n1", | |
| "ccc8 c(C)c1", | |
| ".C4C 8", | |
| ".C4C =C", | |
| ".C4C (N)=O", | |
| "cc(Cl) cc(Cl)", | |
| "[C@@H](C)O C(=O)", | |
| ".C7C %12", | |
| "(=O)[C@H] %6", | |
| "cc4 c2c1", | |
| "cc4 ccc1Cl", | |
| ".C%3 7", | |
| ".c15ccccc1 4", | |
| ".c15ccccc1 .c14cccc3c1", | |
| "OC [C@](C)(O)", | |
| ".c1%11 ccc2", | |
| ".c1%11 ccc7cc1", | |
| ".c1%11 ccc8cc1", | |
| ".C%15 (C)C", | |
| ".C%15 %17", | |
| "C(=O)N[C@@H] 5", | |
| "C(=O)N[C@@H] 6", | |
| "C(=O)N[C@@H] %20", | |
| ".C8C %10", | |
| ".C8C #N", | |
| "cc3 c2c1", | |
| ".N%13 3", | |
| "[C@]4 3C)", | |
| "[C@@H]1O .Cl", | |
| ".C3C (O)CO", | |
| ".C3C .Cl.C2(F)(F)F", | |
| "(C#N) c1", | |
| "(O)CC [C@H]2[C@@H]3CCc4", | |
| "(C)[C@@H] 2C", | |
| "[C@H](N) [C@@H]1O", | |
| ".N2 6", | |
| "(=C [N+](=O)[O-])", | |
| ".[C@]1 4", | |
| "6CC [C@H]2[C@@H]3CCC4=CC(=O)CCC4", | |
| ".c1%12 ccc6cc1", | |
| ".c1%12 c[nH]cn1", | |
| "ccn n1", | |
| "ccc9 cn1", | |
| "[C@H]4 CC1", | |
| "[C@H]4 [C@@H](O)", | |
| "CCCN1 8", | |
| "CCCN1 9", | |
| "nc(N) c1", | |
| "nc(N) c1Cl", | |
| "nc(N) c2ncn", | |
| "cc8 c1", | |
| "[C@H]6 [C@H]1O", | |
| ".[ H+]", | |
| "N5 C1", | |
| "C(=O)C =C", | |
| "C8 5", | |
| "C8 (=O)O", | |
| ".N18 CCC", | |
| ".N18 CCN6CC1", | |
| "[C@]3 1", | |
| "C(=O)N1 3", | |
| ".N65 3.C3", | |
| "[C@H](O)C =2", | |
| "%9 4", | |
| "%9 9", | |
| ".C(C) CCCCCCCC", | |
| "CCC[C@H]1 3", | |
| "CCC[C@H]1 8", | |
| "CCC[C@H]1 %23", | |
| ".C9C (F)(F)F", | |
| "cs c4n1", | |
| "cs c(C)n1", | |
| "[C@H](C) [C@H]12", | |
| "[C@H](C) /C=C/C=C", | |
| "[C@H](C) [C@@H]1C(=C(O)", | |
| ".N17 CCN5CC1", | |
| ".N17 CCN%11CC1", | |
| "(CC(=O)O) (CC(=O)O)C(=O)O", | |
| "3) N(C)CC", | |
| "nc5 n2", | |
| ".O58 .C5", | |
| ".O58 .C8C", | |
| "c(Cl)c1 )O2", | |
| "[C@]4(C) [C@H]3[C@@H](O)C[C@@]21C", | |
| "C9 %10", | |
| "nc4 c(C)", | |
| "ncnc2 cc1", | |
| ".[C@@]1 76", | |
| "N7 4", | |
| ".C%4 5", | |
| "ccc(C) n1", | |
| "ccc(C) cn1", | |
| "N4 C(=O)O1", | |
| "=C( N3", | |
| ".O47 .c15ccccc1", | |
| ".O47 .N65", | |
| ".C%5 8", | |
| ".c15cccc 8c1", | |
| ".c15cccc (Cl)c1", | |
| ".N15 CCC2", | |
| ".N15 c2ccccc2S", | |
| "C(=N)N 4", | |
| "cc9 c%10", | |
| "CCCCCCCC (=O)O", | |
| "CCCCCCCC (=O)[O-]", | |
| ".c17ccccc1 3", | |
| "[C@@H]2C N(C)C", | |
| "5=O.N %11", | |
| "[C@@H]6 NC1", | |
| ".O%14 8", | |
| "c(=O)n 5", | |
| "O4 7.c15", | |
| ".C=4 CCCC(=O)O", | |
| "[C@@H](C 3)N(C)CC", | |
| ".O35 .C4(=O)O", | |
| ".[C@H]4 (C)C", | |
| ".[C@H]4 (C)CC", | |
| ".[C@H]4 (C3C", | |
| ".C%16 8", | |
| ".N%15 %13", | |
| ".N%15 %14", | |
| ".N%15 C(=N)N", | |
| "nc(C) cc(C)", | |
| ".C5(=O)C 7", | |
| ".C5(=O)C 8", | |
| ".C5(=O)C O", | |
| ".C5(=O)C (C)C", | |
| ".C5(=O)C (C)(C)C", | |
| ".N14 CCC", | |
| ".N14 CCCN", | |
| ".N14 CCN(C)CC1", | |
| ".N14 CCC[C@H]1", | |
| "NC (=N)N2", | |
| ".C%17 (=O)[C@H]", | |
| "%12C [C@H]9", | |
| "S(=O)(=O) N1C", | |
| "cc2c(cc1 7", | |
| ".c1cccc 5c1", | |
| "%37 .O", | |
| "c(N)nc 3ccccc3", | |
| "[C@@H](C)C 6=O)", | |
| "[C@H](C)C [C@@H]2", | |
| "[C@H]2C [C@H]1O", | |
| "SSC [C@@H]", | |
| ".C1CN 6", | |
| ".C1CN (C)CCN1", | |
| "c18 ccc2", | |
| ".C2C N", | |
| ".C2C 43", | |
| "=CC(=O)C=C [C@@]3", | |
| "c1cccc 3c1", | |
| "c2c( nc3", | |
| ".N76 .C18CC1", | |
| ".O%15 9", | |
| "(=O)[C@@H]%2 7CO", | |
| "nc2c1 ncn25", | |
| ".c1(N) ccc(S3(=O)=O)cc1", | |
| ".N%17 %11", | |
| ".N%17 %22", | |
| "[C@H]3C 2", | |
| "cc1Cl .Cl", | |
| "nc3 c(", | |
| "%34 .O", | |
| "(=O)[C@@H](N) CO", | |
| "(=O)[C@@H](N) CC(=O)O", | |
| "(=O)[C@@H](N) CCCCN", | |
| "ccccc3 c2", | |
| ".C(C)C 5", | |
| ".C(C)C 6", | |
| ".C(C)C 4=O", | |
| ".C(C)C 3=O", | |
| ".N1(C) [C@@H]2CC[C@H]1C", | |
| "(=O)[C@@H]%4 3CC", | |
| "[C@](C) (O)C", | |
| "c3c( cccc1", | |
| "c3c( [nH]c12", | |
| "c13ccccc1 .C4", | |
| "c13ccccc1 .N1(C)C(=O)", | |
| "O5C .C2(=O)C1=C(C)NC(C)=C(C", | |
| "no c1C", | |
| "n(C) c(=O)n1C", | |
| ".C4(=O)C 2", | |
| ".[C@H]7 (CCC(=O)[O-])", | |
| "C3C 6", | |
| "[C@@H]7 [C@H]2SC1", | |
| "[C@H]8 [C@@H](O)[C@H]1O", | |
| "CCNCC1 .C5C", | |
| ".[C@@H]15 N[C@H]4", | |
| ".n17 c(=O)[nH]", | |
| ".c1%15 c[nH]cn1", | |
| "4.c14 ccc(Cl)cc1", | |
| ".S3 (N)(=O)=O", | |
| ".N4(C)C .Cl", | |
| ".N16CCN 8CC1", | |
| ".N16CCN %10CC1", | |
| ".c1%13 ccc(C=", | |
| ".C6(=O)C 9", | |
| ".C6(=O)C O", | |
| ".C34 =O.N3", | |
| "[Na+] .C(C)CC2C", | |
| ".S6 (=O)(=O)", | |
| "ccc(N)nc1 =O.C", | |
| "C6C .C34=O.N3", | |
| "NC1 =O)", | |
| "O6 9", | |
| "c2[nH] c3", | |
| "c2[nH] c(N)nc(=O)", | |
| "c(=O)n1 5", | |
| "[C@@H](O)[C@H]1O .c1(N)", | |
| ".C=4C =7", | |
| "n[nH] c(=O)", | |
| "n[nH] c2c1", | |
| "nc8 c(C)", | |
| ".C16 CCN5CC1", | |
| ".C6(=O)O .n15cc6c(=O)c2cc(F)", | |
| "ccc16 .n16", | |
| "[C@@H]2O [C@@]3(C)CC", | |
| "([N+](=O)[O-]) n12", | |
| ".N13 CCOCC1", | |
| ".N13 CCC4CC1", | |
| ".C(C)CC 4", | |
| "[C@@H]4C O2", | |
| ".N1%11 CC", | |
| "nc2ccccc2 n1", | |
| "cncc (F)c12", | |
| "ccnc1 4", | |
| "CC= 4C", | |
| ".c1(Cl) ccccc1", | |
| ".N1%10 CCC[C@H]17", | |
| ".S4 6", | |
| ".S4 (C)(=O)", | |
| ".[C@@H]4 (C)", | |
| "(C(N)=O) C(C)C", | |
| "(CO)C %20", | |
| "cnc1 C", | |
| "C(=O)CC [C@@]3(O)[C@H]1C5", | |
| "n15 ccnc1", | |
| "ncn2 4", | |
| ".[C@@H]14 O[C@H]5", | |
| ".[C@@H]14 [C@@H]2C(=C", | |
| ".Cl.C3 CC4.N3(C)C" | |
| ] | |
| } | |
| } |