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"[C@H]2CC [C@@H](C", |
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"(=O)[C@@H] 8C", |
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"[C@@H](O) [C@@H](C)", |
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"[C@@]2 (C)[C@@H]", |
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".N8 (C)C", |
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")C N", |
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"(=O)[C@@H] 6C", |
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"C(=O)N (C)", |
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"2 H]", |
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"6 9", |
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"CC CCN", |
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"(C %10C", |
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"(=O) C1=C", |
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"[C@H]1 9", |
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"(N) C2", |
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"(Cl) Cl", |
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"CCN 9CC1", |
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".C8 (=O)O", |
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"[C@H]2 1", |
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"[C@@H](O) CC(=O)[O-]", |
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"C2 O", |
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"c5 c4", |
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"N2 CC", |
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"CCO C1", |
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"[C@@H](C) C(=O)O", |
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"[C@@H](O)C [C@@H](O)CC(=O)[O-]", |
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"O[C@H] 4", |
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"O[C@H] (C)C", |
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"%8 2", |
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"%8 4", |
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"cn 4", |
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"CCC4 CC1", |
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"(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", |
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"2=C (C)[C@@H]", |
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".C5(C)=O.O 57", |
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".c14ccc2c(c1) N3c1ccccc1S2", |
|
".C=%14 C(=O)O", |
|
".C2CC4 3", |
|
"c(F)cc2 c1=O", |
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"(=O)(=O)C1 CC1", |
|
"[C@@]3(O) [C@H]1C5", |
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"(F)(F)F) C(F)(F)F", |
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"[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", |
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"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", |
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"c2cc3c( cc2", |
|
"C123C(=O)NC(=O)NC1=O.C (=C)C2", |
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"/C(=C /", |
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"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", |
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"[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", |
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"N2C(=O)[C@@H]8 [C@H]2SC1(C)C", |
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"c2cc3cc1Oc1ccc( cc1C", |
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"[C@@]2(O)[C@H]3Cc4ccc(O) c5c4[C@@]2(CCN3", |
|
"( S(=O)(=O)O)", |
|
") C2", |
|
"/ N", |
|
"/ C1=C", |
|
"1 .C6", |
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"2 5", |
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"2 \\", |
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"2 =O.N6", |
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"3 .N", |
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"3 cc1", |
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"3 .C1", |
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"3 C(=O)O", |
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"3 )O", |
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"4 .c18", |
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"4 =O.N%12", |
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"4 [C@@]5", |
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"4 )C(=O)N", |
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"5 3", |
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"5 N", |
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"5 .c13", |
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"6 n1", |
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"6 .Cl", |
|
"6 .C4(F)(F)F", |
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"7 .c1", |
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"7 (C)C", |
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"7 .c18", |
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"7 .C%11", |
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"7 .c1%10", |
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"8 .c1", |
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"8 cn1", |
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"8 .O8C", |
|
"8 CC(=O)O", |
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"8 .C%40", |
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"9 6", |
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"9 CC", |
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"C [C@H]", |
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"C %16", |
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"C [C@H]1C", |
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"C %30", |
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"C #N", |
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"C /C=C/C", |
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"C (Cl)(Cl)", |
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"C (CCCCCC)", |
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"F .C6O", |
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"H +]", |
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"N \\", |
|
"N C(=O)O", |
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"N C(=O)N", |
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"N %17", |
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"N %13C", |
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"N C2=O)", |
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"N CCCN14", |
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"O CO", |
|
"O C(=O)C", |
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"O C(=O)C=", |
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"O CCO2", |
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"O [C@@]2(O)[C@@H]3CCCN3C(=O)", |
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"S C(=O)NC1=O", |
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"[ K+]", |
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"\\ O)", |
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"c %15", |
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"c [n+]([O-])", |
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"n nc5", |
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"o nc(C)", |
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"s c(C)", |
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"s c7", |
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"s c16", |
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"cc ccc", |
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"cc %16", |
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"cc ccc4", |
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"cc (C=", |
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"cc -2", |
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"cc sc1", |
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"c1 %15", |
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"c1 c2c(", |
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"c1 nc3", |
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"c1 (=O)[nH]", |
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"c1 =S", |
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"[C l-]", |
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"=O .c13", |
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"CC c1", |
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"CC =6", |
|
".C c1", |
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".C %63", |
|
".C %66", |
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".C O8", |
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".C (CC(=O)O)C(=O)O", |
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".C (C4", |
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".C (CCCCCC)", |
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"(C %12", |
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"(C =C2", |
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"(C %15C", |
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"=O) NC(=O)", |
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"(=O) C1", |
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"(=O) CC1", |
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"(=O) C(=O)O", |
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"(=O) [C@@H]13", |
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"(C) [C@H]3O", |
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".c1 c4", |
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".c1 c5", |
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".c1 ncc", |
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".c1 %29", |
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".c1 %30", |
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".c1 %40", |
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".c1 ccc%10cc1", |
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".c1 cncc", |
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".N %16C", |
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".N %61", |
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".N %72", |
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"[C@@H] %22", |
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"[C@@H] %14C", |
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"[C@H] %14", |
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"[C@H] %17", |
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"[C@H] %18", |
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"[C@H] 4CC", |
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"[C@H] (CO)[C@@H](O)[C@H](O)", |
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".O %22", |
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".O %27", |
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".O C(=O)C", |
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".O %39", |
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".O C(=O)CC", |
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".O [C@H](CO)[C@@H](O)[C@H](O)", |
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"ccc [n+]", |
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"O) O", |
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"O) C(=O)", |
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"(O) c2ccccc2", |
|
"(O) =C3", |
|
"%10 5", |
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"%10 =O)", |
|
"%10 n1", |
|
"C(=O) C1", |
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"C(=O) [C@H](C)C", |
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"C(=O) [C@@H]2CC", |
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"C(=O) [C@@H]7", |
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"C(=O) (O)CC(O)(CC(=O)O)C(=O)O", |
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"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", |
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"(C)C (", |
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"(C)C %4", |
|
"(C)C %5", |
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"(C)C [C@@H]2O", |
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"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" |
|
] |
|
} |
|
} |