From: sushil r. <ron...@gm...> - 2007-08-31 08:42:31
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[CX4]: Successful [$([CX2](=C)=C)]: Failed The string [$([CX2](=C)=C)] is not a valid SMARTS string: This Token is not yet supported $ [$([CX3]=[CX3])]: Failed The string [$([CX3]=[CX3])] is not a valid SMARTS string: This Token is not yet supported $ [$([CX2]#C)]: Failed The string [$([CX2]#C)] is not a valid SMARTS string: This Token is not yet supported $ [CX3]=[OX1]: Successful [$([CX3]=[OX1]),$([CX3+]-[OX1-])]: Failed The string [$([CX3]=[OX1]),$([CX3+]-[OX1-])] is not a valid SMARTS string: This Token is not yet supported $ [CX3](=[OX1])C: Successful [OX1]=CN: Successful [CX3](=[OX1])O: Successful [CX3](=[OX1])[F,Cl,Br,I]: Successful [CX3H1](=O)[#6]: Successful [CX3](=[OX1])[OX2][CX3](=[OX1]): Successful [NX3][CX3](=[OX1])[#6]: Successful [NX3][CX3]=[NX3+]: Successful [NX3,NX4+][CX3](=[OX1])[OX2,OX1-]: Successful [NX3][CX3](=[OX1])[OX2H0]: Successful [NX3,NX4+][CX3](=[OX1])[OX2H,OX1-]: Successful [CX3](=O)[O-]: Successful [CX3](=[OX1])(O)O: Successful [CX3](=[OX1])([OX2])[OX2H,OX1H0-1]: Successful [CX3](=O)[OX2H1]: Successful [CX3](=O)[OX1H0-,OX2H1]: Successful [NX3][CX2]#[NX1]: Successful [#6][CX3](=O)[OX2H0][#6]: Successful [#6][CX3](=O)[#6]: Successful [OD2]([#6])[#6]: Successful [H]: Successful [!#1]: Successful [H+]: Successful [+H]: Successful [NX3;H2,H1;!$(NC=O)]: Failed The string [NX3;H2,H1;!$(NC=O)] is not a valid SMARTS string: This Token is not yet supported $ [NX3][CX3]=[CX3]: Successful [NX3;H2,H1;!$(NC=O)].[NX3;H2,H1;!$(NC=O)]: Failed The string [NX3;H2,H1;!$(NC=O)].[NX3;H2,H1;!$(NC=O)] is not a valid SMARTS string: This Token is not yet supported $ [NX3][$(C=C),$(cc)]: Failed The string [NX3][$(C=C),$(cc)] is not a valid SMARTS string: This Token is not yet supported $ [NX3,NX4+][CX4H]([*])[CX3](=[OX1])[O,N]: Successful [NX3H2,NH3X4+][CX4H]([*])[CX3](=[OX1])[NX3,NX4+][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-]: Successful [$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N]: Failed The string [$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N] is not a valid SMARTS string: This Token is not yet supported $ [CH3X4]: Successful [CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0])[NH2X3]: Successful [CH2X4][CX3](=[OX1])[NX3H2]: Successful [CH2X4][CX3](=[OX1])[OH0-,OH]: Successful [CH2X4][SX2H,SX1H0-]: Successful [CH2X4][CH2X4][CX3](=[OX1])[OH0-,OH]: Successful [$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][CX3](=[OX1])[OX2H,OX1-,N])]: Failed The string [$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][CX3](=[OX1])[OX2H,OX1-,N])] is not a valid SMARTS string: This Token is not yet supported $ [CH2X4][#6X3]1:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]:: Failed The string [CH2X4][#6X3]1:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]: is not a valid SMARTS string: This Token is not yet supported $ [$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1: Failed The string [$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1 is not a valid SMARTS string: This Token is not yet supported $ [CHX4]([CH3X4])[CH2X4][CH3X4]: Successful [CH2X4][CHX4]([CH3X4])[CH3X4]: Successful [CH2X4][CH2X4][CH2X4][CH2X4][NX4+,NX3+0]: Successful [CH2X4][CH2X4][SX2][CH3X4]: Successful [CH2X4][cX3]1[cX3H][cX3H][cX3H][cX3H][cX3H]1: Successful [$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]: Failed The string [$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N] is not a valid SMARTS string: This Token is not yet supported $ [CH2X4][OX2H]: Successful [NX3][CX3]=[SX1]: Successful [CHX4]([CH3X4])[OX2H]: Successful [CH2X4][cX3]1[cX3H][nX3H][cX3]2[cX3H][cX3H][cX3H][cX3H][cX3]12: Successful [CH2X4][cX3]1[cX3H][cX3H][cX3]([OHX2,OH0X1-])[cX3H][cX3H]1: Successful [CHX4]([CH3X4])[CH3X4]: Successful [CH3X4]: Successful [CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0])[NH2X3]: Successful [CH2X4][CX3](=[OX1])[NX3H2]: Successful [CH2X4][CX3](=[OX1])[OH0-,OH]: Successful [CH2X4][SX2H,SX1H0-]: Successful [CH2X4][CH2X4][CX3](=[OX1])[OH0-,OH]: Successful [CH2X4][#6X3]1:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]:: Failed The string [CH2X4][#6X3]1:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]: is not a valid SMARTS string: This Token is not yet supported $ [$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1: Failed The string [$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1 is not a valid SMARTS string: This Token is not yet supported $ [CHX4]([CH3X4])[CH2X4][CH3X4]: Successful [CH2X4][CHX4]([CH3X4])[CH3X4]: Successful [CH2X4][CH2X4][CH2X4][CH2X4][NX4+,NX3+0]: Successful [CH2X4][CH2X4][SX2][CH3X4]: Successful [CH2X4][cX3]1[cX3H][cX3H][cX3H][cX3H][cX3H]1: Successful [CH2X4][OX2H]: Successful [CHX4]([CH3X4])[OX2H]: Successful [CH2X4][cX3]1[cX3H][nX3H][cX3]2[cX3H][cX3H][cX3H][cX3H][cX3]12: Successful [CH2X4][cX3]1[cX3H][cX3H][cX3]([OHX2,OH0X1-])[cX3H][cX3H]1: Successful [CHX4]([CH3X4])[CH3X4]: Successful [$(*-[NX2-]-[NX2+]#[NX1]),$(*-[NX2]=[NX2+]=[NX1-])]: Failed The string [$(*-[NX2-]-[NX2+]#[NX1]),$(*-[NX2]=[NX2+]=[NX1-])] is not a valid SMARTS string: This Token is not yet supported $ [$([NX1-]=[NX2+]=[NX1-]),$([NX1]#[NX2+]-[NX1-2])]: Failed The string [$([NX1-]=[NX2+]=[NX1-]),$([NX1]#[NX2+]-[NX1-2])] is not a valid SMARTS string: This Token is not yet supported $ [#7]: Successful [NX2]=N: Successful [NX2]=[NX2]: Successful [$([NX2]=[NX3+]([O-])[#6]),$([NX2]=[NX3+0](=[O])[#6])]: Failed The string [$([NX2]=[NX3+]([O-])[#6]),$([NX2]=[NX3+0](=[O])[#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([#6]=[N+]=[N-]),$([#6-]-[N+]#[N])]: Failed The string [$([#6]=[N+]=[N-]),$([#6-]-[N+]#[N])] is not a valid SMARTS string: This Token is not yet supported $ [$([nr5]:[nr5,or5,sr5]),$([nr5]:[cr5]:[nr5,or5,sr5])]: Failed The string [$([nr5]:[nr5,or5,sr5]),$([nr5]:[cr5]:[nr5,or5,sr5])] is not a valid SMARTS string: This Token is not yet supported $ [NX3][NX3]: Successful [NX3][NX2]=[*]: Successful [CX3;$([C]([#6])[#6]),$([CH][#6])]=[NX2][#6]: Failed The string [CX3;$([C]([#6])[#6]),$([CH][#6])]=[NX2][#6] is not a valid SMARTS string: This Token is not yet supported $ [$([CX3]([#6])[#6]),$([CX3H][#6])]=[$([NX2][#6]),$([NX2H])]: Failed The string [$([CX3]([#6])[#6]),$([CX3H][#6])]=[$([NX2][#6]),$([NX2H])] is not a valid SMARTS string: This Token is not yet supported $ [NX3+]=[CX3]: Successful [CX3](=[OX1])[NX3H][CX3](=[OX1]): Successful [CX3](=[OX1])[NX3H0]([#6])[CX3](=[OX1]): Successful [CX3](=[OX1])[NX3H0]([NX3H0]([CX3](=[OX1]))[CX3](=[OX1]))[CX3](=[OX1]): Successful [$([NX3](=[OX1])(=[OX1])O),$([NX3+]([OX1-])(=[OX1])O)]: Failed The string [$([NX3](=[OX1])(=[OX1])O),$([NX3+]([OX1-])(=[OX1])O)] is not a valid SMARTS string: This Token is not yet supported $ [$([OX1]=[NX3](=[OX1])[OX1-]),$([OX1]=[NX3+]([OX1-])[OX1-])]: Failed The string [$([OX1]=[NX3](=[OX1])[OX1-]),$([OX1]=[NX3+]([OX1-])[OX1-])] is not a valid SMARTS string: This Token is not yet supported $ [NX1]#[CX2]: Successful [CX1-]#[NX2+]: Successful [$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8] Hits both forms.: Failed The string [$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8] Hits both forms. is not a valid SMARTS string: This Token is not yet supported $ [$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8].[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8]: Failed The string [$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8].[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8] is not a valid SMARTS string: This Token is not yet supported $ [NX2]=[OX1]: Successful [$([#7+][OX1-]),$([#7v5]=[OX1]);!$([#7](~[O])~[O]);!$([#7]=[#7])]: Failed The string [$([#7+][OX1-]),$([#7v5]=[OX1]);!$([#7](~[O])~[O]);!$([#7]=[#7])] is not a valid SMARTS string: This Token is not yet supported $ [OX2H]: Successful [#6][OX2H]: Successful [OX2H][CX3]=[OX1]: Successful [OX2H]P: Successful [OX2H][#6X3]=[#6]: Successful [OX2H][cX3]:[c]: Successful [OX2H][$(C=C),$(cc)]: Failed The string [OX2H][$(C=C),$(cc)] is not a valid SMARTS string: This Token is not yet supported $ [$([OH]-*=[!#6])]: Failed The string [$([OH]-*=[!#6])] is not a valid SMARTS string: This Token is not yet supported $ [OX2,OX1-][OX2,OX1-]: Successful [$(P(=[OX1])([$([OX2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)]),$([P+]([OX1-])([$([OX 2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)])]: Failed The string [$(P(=[OX1])([$([OX2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)]),$([P+]([OX1-])([$([OX 2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)])] is not a valid SMARTS string: This Token is not yet supported $ [$(P(=[OX1])([OX2][#6])([$([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)]),$([P+]([OX1-])([OX2][#6])([ $([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)])]: Failed The string [$(P(=[OX1])([OX2][#6])([$([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)]),$([P+]([OX1-])([OX2][#6])([ $([OX2H]),$([OX1-]),$([OX2][#6])])[$([OX2H]),$([OX1-]),$([OX2][#6]),$([OX2]P)])] is not a valid SMARTS string: This Token is not yet supported $ [S-][CX3](=S)[#6]: Successful [#6X3](=[SX1])([!N])[!N]: Successful [SX2]: Successful [#16X2H]: Successful [#16!H0]: Successful [NX3][CX3]=[SX1]: Successful [#16X2H0]: Successful [#16X2H0][!#16]: Successful [#16X2H0][#16X2H0]: Successful [#16X2H0][!#16].[#16X2H0][!#16]: Successful [$([#16X3](=[OX1])[OX2H0]),$([#16X3+]([OX1-])[OX2H0])]: Failed The string [$([#16X3](=[OX1])[OX2H0]),$([#16X3+]([OX1-])[OX2H0])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X3](=[OX1])[OX2H,OX1H0-]),$([#16X3+]([OX1-])[OX2H,OX1H0-])]: Failed The string [$([#16X3](=[OX1])[OX2H,OX1H0-]),$([#16X3+]([OX1-])[OX2H,OX1H0-])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])=[OX1]),$([#16X4+2]([OX1-])[OX1-])]: Failed The string [$([#16X4](=[OX1])=[OX1]),$([#16X4+2]([OX1-])[OX1-])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])(=[OX1])([#6])[#6]),$([#16X4+2]([OX1-])([OX1-])([#6])[#6])]: Failed The string [$([#16X4](=[OX1])(=[OX1])([#6])[#6]),$([#16X4+2]([OX1-])([OX1-])([#6])[#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])(=[OX1])([#6])[OX2H,OX1H0-]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H,OX1H0-])]: Failed The string [$([#16X4](=[OX1])(=[OX1])([#6])[OX2H,OX1H0-]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H,OX1H0-])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])(=[OX1])([#6])[OX2H0]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H0])]: Failed The string [$([#16X4](=[OX1])(=[OX1])([#6])[OX2H0]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H0])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4]([NX3])(=[OX1])(=[OX1])[#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[#6])]: Failed The string [$([#16X4]([NX3])(=[OX1])(=[OX1])[#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[#6])] is not a valid SMARTS string: This Token is not yet supported $ [SX4](C)(C)(=O)=N: Successful [$([SX4](=[OX1])(=[OX1])([!O])[NX3]),$([SX4+2]([OX1-])([OX1-])([!O])[NX3])]: Failed The string [$([SX4](=[OX1])(=[OX1])([!O])[NX3]),$([SX4+2]([OX1-])([OX1-])([!O])[NX3])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X3]=[OX1]),$([#16X3+][OX1-])]: Failed The string [$([#16X3]=[OX1]),$([#16X3+][OX1-])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X3](=[OX1])([#6])[#6]),$([#16X3+]([OX1-])([#6])[#6])]: Failed The string [$([#16X3](=[OX1])([#6])[#6]),$([#16X3+]([OX1-])([#6])[#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])(=[OX1])([OX2H,OX1H0-])[OX2][#6]),$([#16X4+2]([OX1-])([OX1-])([OX2H,OX1H0-])[OX2][#6])]: Failed The string [$([#16X4](=[OX1])(=[OX1])([OX2H,OX1H0-])[OX2][#6]),$([#16X4+2]([OX1-])([OX1-])([OX2H,OX1H0-])[OX2][#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([SX4](=O)(=O)(O)O),$([SX4+2]([O-])([O-])(O)O)]: Failed The string [$([SX4](=O)(=O)(O)O),$([SX4+2]([O-])([O-])(O)O)] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6]),$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6])]: Failed The string [$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6]),$([#16X4](=[OX1])(=[OX1])([OX2][#6])[OX2][#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2][#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2][#6])]: Failed The string [$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2][#6]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2][#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2H,OX1H0-]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2H,OX1H0-])]: Failed The string [$([#16X4]([NX3])(=[OX1])(=[OX1])[OX2H,OX1H0-]),$([#16X4+2]([NX3])([OX1-])([OX1-])[OX2H,OX1H0-])] is not a valid SMARTS string: This Token is not yet supported $ [#16X2][OX2H,OX1H0-]: Successful [#16X2][OX2H0]: Successful [#6][F,Cl,Br,I]: Successful [F,Cl,Br,I]: Successful [F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I]: Successful [CX3](=[OX1])[F,Cl,Br,I]: Successful [$([#6X4@](*)(*)(*)*),$([#6X4@H](*)(*)*)]: Failed The string [$([#6X4@](*)(*)(*)*),$([#6X4@H](*)(*)*)] is not a valid SMARTS string: This Token is not yet supported $ [$([cX2+](:*):*)]: Failed The string [$([cX2+](:*):*)] is not a valid SMARTS string: This Token is not yet supported $ [$([cX3](:*):*),$([cX2+](:*):*)]: Failed The string [$([cX3](:*):*),$([cX2+](:*):*)] is not a valid SMARTS string: This Token is not yet supported $ [$([cX3](:*):*),$([cX2+](:*):*),$([CX3]=*),$([CX2+]=*)]: Failed The string [$([cX3](:*):*),$([cX2+](:*):*),$([CX3]=*),$([CX2+]=*)] is not a valid SMARTS string: This Token is not yet supported $ [$([nX3](:*):*),$([nX2](:*):*),$([#7X2]=*),$([NX3](=*)=*),$([#7X3+](-*)=*),$([#7X3+H]=*)]: Failed The string [$([nX3](:*):*),$([nX2](:*):*),$([#7X2]=*),$([NX3](=*)=*),$([#7X3+](-*)=*),$([#7X3+H]=*)] is not a valid SMARTS string: This Token is not yet supported $ [$([#1X1][$([nX3](:*):*),$([nX2](:*):*),$([#7X2]=*),$([NX3](=*)=*),$([#7X3+](-*)=*),$([#7X3+H]=*)])]: Failed The string [$([#1X1][$([nX3](:*):*),$([nX2](:*):*),$([#7X2]=*),$([NX3](=*)=*),$([#7X3+](-*)=*),$([#7X3+H]=*)])] is not a valid SMARTS string: This Token is not yet supported $ [$([NX4+]),$([NX3]);!$(*=*)&!$(*:*)]: Failed The string [$([NX4+]),$([NX3]);!$(*=*)&!$(*:*)] is not a valid SMARTS string: This Token is not yet supported $ [$([#1X1][$([NX4+]),$([NX3]);!$(*=*)&!$(*:*)])]: Failed The string [$([#1X1][$([NX4+]),$([NX3]);!$(*=*)&!$(*:*)])] is not a valid SMARTS string: This Token is not yet supported $ [$([$([NX3]=O),$([NX3+][O-])])]: Failed The string [$([$([NX3]=O),$([NX3+][O-])])] is not a valid SMARTS string: This Token is not yet supported $ [$([$([NX4]=O),$([NX4+][O-])])]: Failed The string [$([$([NX4]=O),$([NX4+][O-])])] is not a valid SMARTS string: This Token is not yet supported $ [$([$([NX4]=O),$([NX4+][O-,#0])])]: Failed The string [$([$([NX4]=O),$([NX4+][O-,#0])])] is not a valid SMARTS string: This Token is not yet supported $ [$([NX4+]),$([NX4]=*)]: Failed The string [$([NX4+]),$([NX4]=*)] is not a valid SMARTS string: This Token is not yet supported $ [$([SX3]=N)]: Failed The string [$([SX3]=N)] is not a valid SMARTS string: This Token is not yet supported $ [$([SX1]=[#6])]: Failed The string [$([SX1]=[#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([NX1]#*)]: Failed The string [$([NX1]#*)] is not a valid SMARTS string: This Token is not yet supported $ [$([OX2])]: Failed The string [$([OX2])] is not a valid SMARTS string: This Token is not yet supported $ [R0;D2][R0;D2][R0;D2][R0;D2]: Successful [R0;D2]~[R0;D2]~[R0;D2]~[R0;D2]: Successful [AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]~[AR0]: Successful [!$([#6+0]);!$(C(F)(F)F);!$(c(:[!c]):[!c])!$([#6]=,#[!#6])]: Failed The string [!$([#6+0]);!$(C(F)(F)F);!$(c(:[!c]):[!c])!$([#6]=,#[!#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([#6+0]);!$(C(F)(F)F);!$(c(:[!c]):[!c])!$([#6]=,#[!#6])]: Failed The string [$([#6+0]);!$(C(F)(F)F);!$(c(:[!c]):[!c])!$([#6]=,#[!#6])] is not a valid SMARTS string: This Token is not yet supported $ [$([SX1]~P)]: Failed The string [$([SX1]~P)] is not a valid SMARTS string: This Token is not yet supported $ [$([NX3]C=N)]: Failed The string [$([NX3]C=N)] is not a valid SMARTS string: This Token is not yet supported $ [$([NX3]N=C)]: Failed The string [$([NX3]N=C)] is not a valid SMARTS string: This Token is not yet supported $ [$([NX3]N=N)]: Failed The string [$([NX3]N=N)] is not a valid SMARTS string: This Token is not yet supported $ [$([OX2]C=N)]: Failed The string [$([OX2]C=N)] is not a valid SMARTS string: This Token is not yet supported $ [!$(*#*)&!D1]-!@[!$(*#*)&!D1]: Failed The string [!$(*#*)&!D1]-!@[!$(*#*)&!D1] is not a valid SMARTS string: This Token is not yet supported $ [$([*R2]([*R])([*R])([*R]))].[$([*R2]([*R])([*R])([*R]))]: Failed The string [$([*R2]([*R])([*R])([*R]))].[$([*R2]([*R])([*R])([*R]))] is not a valid SMARTS string: This Token is not yet supported $ c12ccccc1cccc2: Successful [r;!r3;!r4;!r5;!r6;!r7]: Successful [sX2r5]: Successful [oX2r5]: Successful [cR1]1[cR1][cR1][cR1][cR1][cR1]1: Successful [cR1]1[cR1][cR1][cR1][cR1][cR1]1.[cR1]1[cR1][cR1][cR1][cR1][cR1]1: Successful [NX3,NX4+][CX4H]([*])[CX3](=[OX1])[O,N]: Successful [$([$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]),: Failed The string [$([$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]), is not a valid SMARTS string: This Token is not yet supported $ [$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]: Failed The string [$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N] is not a valid SMARTS string: This Token is not yet supported $ [$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][CX3](=[OX1])[OX2H,OX1-,N])]: Failed The string [$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][CX3](=[OX1])[OX2H,OX1-,N])] is not a valid SMARTS string: This Token is not yet supported $ [$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N]: Failed The string [$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N] is not a valid SMARTS string: This Token is not yet supported $ [#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1),: Failed The string [#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1), is not a valid SMARTS string: This Token is not yet supported $ [$([$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3]: Failed The string [$([$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3] is not a valid SMARTS string: This Token is not yet supported $ [#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1),: Failed The string [#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:[#6X3H]1), is not a valid SMARTS string: This Token is not yet supported $ [$([NX3,NX4+][CX4H]([*])[CX3](=[OX1])[O,N]);!$([$([$([NX3H,NX4H2+]),: Failed The string [$([NX3,NX4+][CX4H]([*])[CX3](=[OX1])[O,N]);!$([$([$([NX3H,NX4H2+]), is not a valid SMARTS string: This Token is not yet supported $ [$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]:: Failed The string [$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),$([#7X3H])]: is not a valid SMARTS string: This Token is not yet supported $ [#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]),: Failed The string [#6X3H]:[$([#7X3H+,#7X2H0+0]:[#6X3H]:[#7X3H]), is not a valid SMARTS string: This Token is not yet supported $ [#16X2H0]: Successful [#16X2H0][!#16]: Successful [#16X2H0][#16X2H0]: Successful [#16X2H0][!#16].[#16X2H0][!#16]: Successful [OX2H,OX1H0-]: Successful [OX2H0]: Successful [H1,H0-]: Successful ([Cl!$(Cl~c)].[c!$(c~Cl)]): Failed The string ([Cl!$(Cl~c)].[c!$(c~Cl)]) is not a valid SMARTS string: This Token is not yet supported $ ([Cl]).([c]): Successful ([Cl].[c]): Successful [NX3;H2,H1;!$(NC=O)].[NX3;H2,H1;!$(NC=O)]: Failed The string [NX3;H2,H1;!$(NC=O)].[NX3;H2,H1;!$(NC=O)] is not a valid SMARTS string: This Token is not yet supported $ [#0]: Successful [*!H0,#1]: Successful [#6!H0,#1]: Successful [H,#1]: Successful [!H0;F,Cl,Br,I,N+,$([OH]-*=[!#6]),+]: Failed The string [!H0;F,Cl,Br,I,N+,$([OH]-*=[!#6]),+] is not a valid SMARTS string: This Token is not yet supported $ [CX3](=O)[OX2H1]: Successful [CX3](=O)[OX1H0-,OX2H1]: Successful [$([OH]-*=[!#6])]: Failed The string [$([OH]-*=[!#6])] is not a valid SMARTS string: This Token is not yet supported $ [$(P(=[OX1])([$([OX2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)]),$([P+]([OX1-])([$([OX 2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)])]: Failed The string [$(P(=[OX1])([$([OX2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)]),$([P+]([OX1-])([$([OX 2H]),$([OX1-]),$([OX2]P)])([$([OX2H]),$([OX1-]),$([OX2]P)])[$([OX2H]),$([OX1-]),$([OX2]P)])] is not a valid SMARTS string: This Token is not yet supported $ [$([#16X4](=[OX1])(=[OX1])([#6])[OX2H,OX1H0-]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H,OX1H0-])]: Failed The string [$([#16X4](=[OX1])(=[OX1])([#6])[OX2H,OX1H0-]),$([#16X4+2]([OX1-])([OX1-])([#6])[OX2H,OX1H0-])] is not a valid SMARTS string: This Token is not yet supported $ [CX3](=[OX1])[F,Cl,Br,I]: Successful [NX2-]: Successful [OX2H+]=*: Successful [OX3H2+]: Successful [#6+]: Successful [$([cX2+](:*):*)]: Failed The string [$([cX2+](:*):*)] is not a valid SMARTS string: This Token is not yet supported $ [$([NX1-]=[NX2+]=[NX1-]),$([NX1]#[NX2+]-[NX1-2])]: Failed The string [$([NX1-]=[NX2+]=[NX1-]),$([NX1]#[NX2+]-[NX1-2])] is not a valid SMARTS string: This Token is not yet supported $ [+1]~*~*~[-1]: Successful [$([!-0!-1!-2!-3!-4]~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~[!+0!+1!+2!+3!+4]),$([ !-0!-1!-2!-3!-4]~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~*~[!+0!+1!+2!+3!+ 4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~ *~*~*~*~*~[!+0!+1!+2!+3!+4])]: Failed The string [$([!-0!-1!-2!-3!-4]~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~[!+0!+1!+2!+3!+4]),$([ !-0!-1!-2!-3!-4]~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~*~[!+0!+1!+2!+3!+ 4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~*~*~*~*~[!+0!+1!+2!+3!+4]),$([!-0!-1!-2!-3!-4]~*~*~*~*~ *~*~*~*~*~[!+0!+1!+2!+3!+4])] is not a valid SMARTS string: This Token is not yet supported $ ([!-0!-1!-2!-3!-4].[!+0!+1!+2!+3!+4]): Successful [#6,#7;R0]=[#8]: Successful [!$([#6,F,Cl,Br,I,o,s,nX3,#7v5,#15v5,#16v4,#16v6,*+1,*+2,*+3,])]: Failed The string [!$([#6,F,Cl,Br,I,o,s,nX3,#7v5,#15v5,#16v4,#16v6,*+1,*+2,*+3,])] is not a valid SMARTS string: This Token is not yet supported $ [!$([#6,H0,-,-2,-3])]: Failed The string [!$([#6,H0,-,-2,-3])] is not a valid SMARTS string: This Token is not yet supported $ [!H0;#7,#8,#9]: Successful [O,N;!H0]-*~*-*=[$([C,N;R0]=O)]: Failed The string [O,N;!H0]-*~*-*=[$([C,N;R0]=O)] is not a valid SMARTS string: This Token is not yet supported $ [#6;X3v3+0]: Successful [#7;X2v4+0]: Successful [$([$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]),$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][ CX3](=[OX1])[OX2H,OX1-,N]),$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N])] i: Failed The string [$([$([NX3H,NX4H2+]),$([NX3](C)(C)(C))]1[CX4H]([CH2][CH2][CH2]1)[CX3](=[OX1])[OX2H,OX1-,N]),$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H2][ CX3](=[OX1])[OX2H,OX1-,N]),$([$([NX3H2,NX4H3+]),$([NX3H](C)(C))][CX4H]([*])[CX3](=[OX1])[OX2H,OX1-,N])] i is not a valid SMARTS string: This Token is not yet supported $ [#6][CX3](=O)[$([OX2H0]([#6])[#6]),$([#7])]: Failed The string [#6][CX3](=O)[$([OX2H0]([#6])[#6]),$([#7])] is not a valid SMARTS string: This Token is not yet supported $ [#8]=[C,N]-aaa[F,Cl,Br,I]: Successful [O,N;!H0;R0]: Successful [#8]=[C,N] or O=[C,N]: Successful [$(c:cCl),$(c:c:cCl),$(c:c:c:cCl)]-[$(c:cCl),$(c:c:cCl),$(c:c:c:cCl)]: Failed The string [$(c:cCl),$(c:c:cCl),$(c:c:c:cCl)]-[$(c:cCl),$(c:c:cCl),$(c:c:c:cCl)] is not a valid SMARTS string: This Token is not yet supported $ [nX3r5+]:c:n: Successful [c;$([*Cl]),$([*H1])]1ccc(O)c(C)c1 or Cc1:c(O):c:c:[$(cCl),$([cH])]:c1: Failed The string [c;$([*Cl]),$([*H1])]1ccc(O)c(C)c1 or Cc1:c(O):c:c:[$(cCl),$([cH])]:c1 is not a valid SMARTS string: This Token is not yet supported $ [!#1;!#2;!#3;!#5;!#6;!#7;!#8;!#9;!#11;!#12;!#15;!#16;!#17;!#19;!#20;!#35;!#53]: Successful Total: 235; Failed: 96 Time: 656 milli seconds |