annotate test-data/8smi.tab @ 0:ea68b86303e2 draft

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/mordred commit 4ce352d9c9f3f1808e2ab6c019c534fd3e805959

ABC	ABCGG	nAcid	nBase	SpAbs_A	SpMax_A	SpDiam_A	SpAD_A	SpMAD_A	LogEE_A	VE1_A	VE2_A	VE3_A	VR1_A	VR2_A	VR3_A	nAromAtom	nAromBond	nAtom	nHeavyAtom	nSpiro	nBridgehead	nHetero	nH	nB	nC	nN	nO	nS	nP	nF	nCl	nBr	nI	nX	ATS0dv	ATS1dv	ATS2dv	ATS3dv	ATS4dv	ATS5dv	ATS6dv	ATS7dv	ATS8dv	ATS0d	ATS1d	ATS2d	ATS3d	ATS4d	ATS5d	ATS6d	ATS7d	ATS8d	ATS0s	ATS1s	ATS2s	ATS3s	ATS4s	ATS5s	ATS6s	ATS7s	ATS8s	ATS0Z	ATS1Z	ATS2Z	ATS3Z	ATS4Z	ATS5Z	ATS6Z	ATS7Z	ATS8Z	ATS0m	ATS1m	ATS2m	ATS3m	ATS4m	ATS5m	ATS6m	ATS7m	ATS8m	ATS0v	ATS1v	ATS2v	ATS3v	ATS4v	ATS5v	ATS6v	ATS7v	ATS8v	ATS0se	ATS1se	ATS2se	ATS3se	ATS4se	ATS5se	ATS6se	ATS7se	ATS8se	ATS0pe	ATS1pe	ATS2pe	ATS3pe	ATS4pe	ATS5pe	ATS6pe	ATS7pe	ATS8pe	ATS0are	ATS1are	ATS2are	ATS3are	ATS4are	ATS5are	ATS6are	ATS7are	ATS8are	ATS0p	ATS1p	ATS2p	ATS3p	ATS4p	ATS5p	ATS6p	ATS7p	ATS8p	ATS0i	ATS1i	ATS2i	ATS3i	ATS4i	ATS5i	ATS6i	ATS7i	ATS8i	AATS0dv	AATS1dv	AATS2dv	AATS3dv	AATS4dv	AATS5dv	AATS6dv	AATS7dv	AATS8dv	AATS0d	AATS1d	AATS2d	AATS3d	AATS4d	AATS5d	AATS6d	AATS7d	AATS8d	AATS0s	AATS1s	AATS2s	AATS3s	AATS4s	AATS5s	AATS6s	AATS7s	AATS8s	AATS0Z	AATS1Z	AATS2Z	AATS3Z	AATS4Z	AATS5Z	AATS6Z	AATS7Z	AATS8Z	AATS0m	AATS1m	AATS2m	AATS3m	AATS4m	AATS5m	AATS6m	AATS7m	AATS8m	AATS0v	AATS1v	AATS2v	AATS3v	AATS4v	AATS5v	AATS6v	AATS7v	AATS8v	AATS0se	AATS1se	AATS2se	AATS3se	AATS4se	AATS5se	AATS6se	AATS7se	AATS8se	AATS0pe	AATS1pe	AATS2pe	AATS3pe	AATS4pe	AATS5pe	AATS6pe	AATS7pe	AATS8pe	AATS0are	AATS1are	AATS2are	AATS3are	AATS4are	AATS5are	AATS6are	AATS7are	AATS8are	AATS0p	AATS1p	AATS2p	AATS3p	AATS4p	AATS5p	AATS6p	AATS7p	AATS8p	AATS0i	AATS1i	AATS2i	AATS3i	AATS4i	AATS5i	AATS6i	AATS7i	AATS8i	ATSC0c	ATSC1c	ATSC2c	ATSC3c	ATSC4c	ATSC5c	ATSC6c	ATSC7c	ATSC8c	ATSC0dv	ATSC1dv	ATSC2dv	ATSC3dv	ATSC4dv	ATSC5dv	ATSC6dv	ATSC7dv	ATSC8dv	ATSC0d	ATSC1d	ATSC2d	ATSC3d	ATSC4d	ATSC5d	ATSC6d	ATSC7d	ATSC8d	ATSC0s	ATSC1s	ATSC2s	ATSC3s	ATSC4s	ATSC5s	ATSC6s	ATSC7s	ATSC8s	ATSC0Z	ATSC1Z	ATSC2Z	ATSC3Z	ATSC4Z	ATSC5Z	ATSC6Z	ATSC7Z	ATSC8Z	ATSC0m	ATSC1m	ATSC2m	ATSC3m	ATSC4m	ATSC5m	ATSC6m	ATSC7m	ATSC8m	ATSC0v	ATSC1v	ATSC2v	ATSC3v	ATSC4v	ATSC5v	ATSC6v	ATSC7v	ATSC8v	ATSC0se	ATSC1se	ATSC2se	ATSC3se	ATSC4se	ATSC5se	ATSC6se	ATSC7se	ATSC8se	ATSC0pe	ATSC1pe	ATSC2pe	ATSC3pe	ATSC4pe	ATSC5pe	ATSC6pe	ATSC7pe	ATSC8pe	ATSC0are	ATSC1are	ATSC2are	ATSC3are	ATSC4are	ATSC5are	ATSC6are	ATSC7are	ATSC8are	ATSC0p	ATSC1p	ATSC2p	ATSC3p	ATSC4p	ATSC5p	ATSC6p	ATSC7p	ATSC8p	ATSC0i	ATSC1i	ATSC2i	ATSC3i	ATSC4i	ATSC5i	ATSC6i	ATSC7i	ATSC8i	AATSC0c	AATSC1c	AATSC2c	AATSC3c	AATSC4c	AATSC5c	AATSC6c	AATSC7c	AATSC8c	AATSC0dv	AATSC1dv	AATSC2dv	AATSC3dv	AATSC4dv	AATSC5dv	AATSC6dv	AATSC7dv	AATSC8dv	AATSC0d	AATSC1d	AATSC2d	AATSC3d	AATSC4d	AATSC5d	AATSC6d	AATSC7d	AATSC8d	AATSC0s	AATSC1s	AATSC2s	AATSC3s	AATSC4s	AATSC5s	AATSC6s	AATSC7s	AATSC8s	AATSC0Z	AATSC1Z	AATSC2Z	AATSC3Z	AATSC4Z	AATSC5Z	AATSC6Z	AATSC7Z	AATSC8Z	AATSC0m	AATSC1m	AATSC2m	AATSC3m	AATSC4m	AATSC5m	AATSC6m	AATSC7m	AATSC8m	AATSC0v	AATSC1v	AATSC2v	AATSC3v	AATSC4v	AATSC5v	AATSC6v	AATSC7v	AATSC8v	AATSC0se	AATSC1se	AATSC2se	AATSC3se	AATSC4se	AATSC5se	AATSC6se	AATSC7se	AATSC8se	AATSC0pe	AATSC1pe	AATSC2pe	AATSC3pe	AATSC4pe	AATSC5pe	AATSC6pe	AATSC7pe	AATSC8pe	AATSC0are	AATSC1are	AATSC2are	AATSC3are	AATSC4are	AATSC5are	AATSC6are	AATSC7are	AATSC8are	AATSC0p	AATSC1p	AATSC2p	AATSC3p	AATSC4p	AATSC5p	AATSC6p	AATSC7p	AATSC8p	AATSC0i	AATSC1i	AATSC2i	AATSC3i	AATSC4i	AATSC5i	AATSC6i	AATSC7i	AATSC8i	MATS1c	MATS2c	MATS3c	MATS4c	MATS5c	MATS6c	MATS7c	MATS8c	MATS1dv	MATS2dv	MATS3dv	MATS4dv	MATS5dv	MATS6dv	MATS7dv	MATS8dv	MATS1d	MATS2d	MATS3d	MATS4d	MATS5d	MATS6d	MATS7d	MATS8d	MATS1s	MATS2s	MATS3s	MATS4s	MATS5s	MATS6s	MATS7s	MATS8s	MATS1Z	MATS2Z	MATS3Z	MATS4Z	MATS5Z	MATS6Z	MATS7Z	MATS8Z	MATS1m	MATS2m	MATS3m	MATS4m	MATS5m	MATS6m	MATS7m	MATS8m	MATS1v	MATS2v	MATS3v	MATS4v	MATS5v	MATS6v	MATS7v	MATS8v	MATS1se	MATS2se	MATS3se	MATS4se	MATS5se	MATS6se	MATS7se	MATS8se	MATS1pe	MATS2pe	MATS3pe	MATS4pe	MATS5pe	MATS6pe	MATS7pe	MATS8pe	MATS1are	MATS2are	MATS3are	MATS4are	MATS5are	MATS6are	MATS7are	MATS8are	MATS1p	MATS2p	MATS3p	MATS4p	MATS5p	MATS6p	MATS7p	MATS8p	MATS1i	MATS2i	MATS3i	MATS4i	MATS5i	MATS6i	MATS7i	MATS8i	GATS1c	GATS2c	GATS3c	GATS4c	GATS5c	GATS6c	GATS7c	GATS8c	GATS1dv	GATS2dv	GATS3dv	GATS4dv	GATS5dv	GATS6dv	GATS7dv	GATS8dv	GATS1d	GATS2d	GATS3d	GATS4d	GATS5d	GATS6d	GATS7d	GATS8d	GATS1s	GATS2s	GATS3s	GATS4s	GATS5s	GATS6s	GATS7s	GATS8s	GATS1Z	GATS2Z	GATS3Z	GATS4Z	GATS5Z	GATS6Z	GATS7Z	GATS8Z	GATS1m	GATS2m	GATS3m	GATS4m	GATS5m	GATS6m	GATS7m	GATS8m	GATS1v	GATS2v	GATS3v	GATS4v	GATS5v	GATS6v	GATS7v	GATS8v	GATS1se	GATS2se	GATS3se	GATS4se	GATS5se	GATS6se	GATS7se	GATS8se	GATS1pe	GATS2pe	GATS3pe	GATS4pe	GATS5pe	GATS6pe	GATS7pe	GATS8pe	GATS1are	GATS2are	GATS3are	GATS4are	GATS5are	GATS6are	GATS7are	GATS8are	GATS1p	GATS2p	GATS3p	GATS4p	GATS5p	GATS6p	GATS7p	GATS8p	GATS1i	GATS2i	GATS3i	GATS4i	GATS5i	GATS6i	GATS7i	GATS8i	BCUTc-1h	BCUTc-1l	BCUTdv-1h	BCUTdv-1l	BCUTd-1h	BCUTd-1l	BCUTs-1h	BCUTs-1l	BCUTZ-1h	BCUTZ-1l	BCUTm-1h	BCUTm-1l	BCUTv-1h	BCUTv-1l	BCUTse-1h	BCUTse-1l	BCUTpe-1h	BCUTpe-1l	BCUTare-1h	BCUTare-1l	BCUTp-1h	BCUTp-1l	BCUTi-1h	BCUTi-1l	BalabanJ	SpAbs_DzZ	SpMax_DzZ	SpDiam_DzZ	SpAD_DzZ	SpMAD_DzZ	LogEE_DzZ	SM1_DzZ	VE1_DzZ	VE2_DzZ	VE3_DzZ	VR1_DzZ	VR2_DzZ	VR3_DzZ	SpAbs_Dzm	SpMax_Dzm	SpDiam_Dzm	SpAD_Dzm	SpMAD_Dzm	LogEE_Dzm	SM1_Dzm	VE1_Dzm	VE2_Dzm	VE3_Dzm	VR1_Dzm	VR2_Dzm	VR3_Dzm	SpAbs_Dzv	SpMax_Dzv	SpDiam_Dzv	SpAD_Dzv	SpMAD_Dzv	LogEE_Dzv	SM1_Dzv	VE1_Dzv	VE2_Dzv	VE3_Dzv	VR1_Dzv	VR2_Dzv	VR3_Dzv	SpAbs_Dzse	SpMax_Dzse	SpDiam_Dzse	SpAD_Dzse	SpMAD_Dzse	LogEE_Dzse	SM1_Dzse	VE1_Dzse	VE2_Dzse	VE3_Dzse	VR1_Dzse	VR2_Dzse	VR3_Dzse	SpAbs_Dzpe	SpMax_Dzpe	SpDiam_Dzpe	SpAD_Dzpe	SpMAD_Dzpe	LogEE_Dzpe	SM1_Dzpe	VE1_Dzpe	VE2_Dzpe	VE3_Dzpe	VR1_Dzpe	VR2_Dzpe	VR3_Dzpe	SpAbs_Dzare	SpMax_Dzare	SpDiam_Dzare	SpAD_Dzare	SpMAD_Dzare	LogEE_Dzare	SM1_Dzare	VE1_Dzare	VE2_Dzare	VE3_Dzare	VR1_Dzare	VR2_Dzare	VR3_Dzare	SpAbs_Dzp	SpMax_Dzp	SpDiam_Dzp	SpAD_Dzp	SpMAD_Dzp	LogEE_Dzp	SM1_Dzp	VE1_Dzp	VE2_Dzp	VE3_Dzp	VR1_Dzp	VR2_Dzp	VR3_Dzp	SpAbs_Dzi	SpMax_Dzi	SpDiam_Dzi	SpAD_Dzi	SpMAD_Dzi	LogEE_Dzi	SM1_Dzi	VE1_Dzi	VE2_Dzi	VE3_Dzi	VR1_Dzi	VR2_Dzi	VR3_Dzi	BertzCT	nBonds	nBondsO	nBondsS	nBondsD	nBondsT	nBondsA	nBondsM	nBondsKS	nBondsKD	RNCG	RPCG	C1SP1	C2SP1	C1SP2	C2SP2	C3SP2	C1SP3	C2SP3	C3SP3	C4SP3	HybRatio	FCSP3	Xch-3d	Xch-4d	Xch-5d	Xch-6d	Xch-7d	Xch-3dv	Xch-4dv	Xch-5dv	Xch-6dv	Xch-7dv	Xc-3d	Xc-4d	Xc-5d	Xc-6d	Xc-3dv	Xc-4dv	Xc-5dv	Xc-6dv	Xpc-4d	Xpc-5d	Xpc-6d	Xpc-4dv	Xpc-5dv	Xpc-6dv	Xp-0d	Xp-1d	Xp-2d	Xp-3d	Xp-4d	Xp-5d	Xp-6d	Xp-7d	AXp-0d	AXp-1d	AXp-2d	AXp-3d	AXp-4d	AXp-5d	AXp-6d	AXp-7d	Xp-0dv	Xp-1dv	Xp-2dv	Xp-3dv	Xp-4dv	Xp-5dv	Xp-6dv	Xp-7dv	AXp-0dv	AXp-1dv	AXp-2dv	AXp-3dv	AXp-4dv	AXp-5dv	AXp-6dv	AXp-7dv	SZ	Sm	Sv	Sse	Spe	Sare	Sp	Si	MZ	Mm	Mv	Mse	Mpe	Mare	Mp	Mi	SpAbs_Dt	SpMax_Dt	SpDiam_Dt	SpAD_Dt	SpMAD_Dt	LogEE_Dt	SM1_Dt	VE1_Dt	VE2_Dt	VE3_Dt	VR1_Dt	VR2_Dt	VR3_Dt	DetourIndex	SpAbs_D	SpMax_D	SpDiam_D	SpAD_D	SpMAD_D	LogEE_D	VE1_D	VE2_D	VE3_D	VR1_D	VR2_D	VR3_D	NsLi	NssBe	NssssBe	NssBH	NsssB	NssssB	NsCH3	NdCH2	NssCH2	NtCH	NdsCH	NaaCH	NsssCH	NddC	NtsC	NdssC	NaasC	NaaaC	NssssC	NsNH3	NsNH2	NssNH2	NdNH	NssNH	NaaNH	NtN	NsssNH	NdsN	NaaN	NsssN	NddsN	NaasN	NssssN	NsOH	NdO	NssO	NaaO	NsF	NsSiH3	NssSiH2	NsssSiH	NssssSi	NsPH2	NssPH	NsssP	NdsssP	NsssssP	NsSH	NdS	NssS	NaaS	NdssS	NddssS	NsCl	NsGeH3	NssGeH2	NsssGeH	NssssGe	NsAsH2	NssAsH	NsssAs	NsssdAs	NsssssAs	NsSeH	NdSe	NssSe	NaaSe	NdssSe	NddssSe	NsBr	NsSnH3	NssSnH2	NsssSnH	NssssSn	NsI	NsPbH3	NssPbH2	NsssPbH	NssssPb	SsLi	SssBe	SssssBe	SssBH	SsssB	SssssB	SsCH3	SdCH2	SssCH2	StCH	SdsCH	SaaCH	SsssCH	SddC	StsC	SdssC	SaasC	SaaaC	SssssC	SsNH3	SsNH2	SssNH2	SdNH	SssNH	SaaNH	StN	SsssNH	SdsN	SaaN	SsssN	SddsN	SaasN	SssssN	SsOH	SdO	SssO	SaaO	SsF	SsSiH3	SssSiH2	SsssSiH	SssssSi	SsPH2	SssPH	SsssP	SdsssP	SsssssP	SsSH	SdS	SssS	SaaS	SdssS	SddssS	SsCl	SsGeH3	SssGeH2	SsssGeH	SssssGe	SsAsH2	SssAsH	SsssAs	SsssdAs	SsssssAs	SsSeH	SdSe	SssSe	SaaSe	SdssSe	SddssSe	SsBr	SsSnH3	SssSnH2	SsssSnH	SssssSn	SsI	SsPbH3	SssPbH2	SsssPbH	SssssPb	MAXsLi	MAXssBe	MAXssssBe	MAXssBH	MAXsssB	MAXssssB	MAXsCH3	MAXdCH2	MAXssCH2	MAXtCH	MAXdsCH	MAXaaCH	MAXsssCH	MAXddC	MAXtsC	MAXdssC	MAXaasC	MAXaaaC	MAXssssC	MAXsNH3	MAXsNH2	MAXssNH2	MAXdNH	MAXssNH	MAXaaNH	MAXtN	MAXsssNH	MAXdsN	MAXaaN	MAXsssN	MAXddsN	MAXaasN	MAXssssN	MAXsOH	MAXdO	MAXssO	MAXaaO	MAXsF	MAXsSiH3	MAXssSiH2	MAXsssSiH	MAXssssSi	MAXsPH2	MAXssPH	MAXsssP	MAXdsssP	MAXsssssP	MAXsSH	MAXdS	MAXssS	MAXaaS	MAXdssS	MAXddssS	MAXsCl	MAXsGeH3	MAXssGeH2	MAXsssGeH	MAXssssGe	MAXsAsH2	MAXssAsH	MAXsssAs	MAXsssdAs	MAXsssssAs	MAXsSeH	MAXdSe	MAXssSe	MAXaaSe	MAXdssSe	MAXddssSe	MAXsBr	MAXsSnH3	MAXssSnH2	MAXsssSnH	MAXssssSn	MAXsI	MAXsPbH3	MAXssPbH2	MAXsssPbH	MAXssssPb	MINsLi	MINssBe	MINssssBe	MINssBH	MINsssB	MINssssB	MINsCH3	MINdCH2	MINssCH2	MINtCH	MINdsCH	MINaaCH	MINsssCH	MINddC	MINtsC	MINdssC	MINaasC	MINaaaC	MINssssC	MINsNH3	MINsNH2	MINssNH2	MINdNH	MINssNH	MINaaNH	MINtN	MINsssNH	MINdsN	MINaaN	MINsssN	MINddsN	MINaasN	MINssssN	MINsOH	MINdO	MINssO	MINaaO	MINsF	MINsSiH3	MINssSiH2	MINsssSiH	MINssssSi	MINsPH2	MINssPH	MINsssP	MINdsssP	MINsssssP	MINsSH	MINdS	MINssS	MINaaS	MINdssS	MINddssS	MINsCl	MINsGeH3	MINssGeH2	MINsssGeH	MINssssGe	MINsAsH2	MINssAsH	MINsssAs	MINsssdAs	MINsssssAs	MINsSeH	MINdSe	MINssSe	MINaaSe	MINdssSe	MINddssSe	MINsBr	MINsSnH3	MINssSnH2	MINsssSnH	MINssssSn	MINsI	MINsPbH3	MINssPbH2	MINsssPbH	MINssssPb	ECIndex	ETA_alpha	AETA_alpha	ETA_shape_p	ETA_shape_y	ETA_shape_x	ETA_beta	AETA_beta	ETA_beta_s	AETA_beta_s	ETA_beta_ns	AETA_beta_ns	ETA_beta_ns_d	AETA_beta_ns_d	ETA_eta	AETA_eta	ETA_eta_L	AETA_eta_L	ETA_eta_R	AETA_eta_R	ETA_eta_RL	AETA_eta_RL	ETA_eta_F	AETA_eta_F	ETA_eta_FL	AETA_eta_FL	ETA_eta_B	AETA_eta_B	ETA_eta_BR	AETA_eta_BR	ETA_dAlpha_A	ETA_dAlpha_B	ETA_epsilon_1	ETA_epsilon_2	ETA_epsilon_3	ETA_epsilon_4	ETA_epsilon_5	ETA_dEpsilon_A	ETA_dEpsilon_B	ETA_dEpsilon_C	ETA_dEpsilon_D	ETA_dBeta	AETA_dBeta	ETA_psi_1	ETA_dPsi_A	ETA_dPsi_B	fragCpx	fMF	nHBAcc	nHBDon	IC0	IC1	IC2	IC3	IC4	IC5	TIC0	TIC1	TIC2	TIC3	TIC4	TIC5	SIC0	SIC1	SIC2	SIC3	SIC4	SIC5	BIC0	BIC1	BIC2	BIC3	BIC4	BIC5	CIC0	CIC1	CIC2	CIC3	CIC4	CIC5	MIC0	MIC1	MIC2	MIC3	MIC4	MIC5	ZMIC0	ZMIC1	ZMIC2	ZMIC3	ZMIC4	ZMIC5	Kier1	Kier2	Kier3	Lipinski	GhoseFilter	FilterItLogS	VMcGowan	LabuteASA	PEOE_VSA1	PEOE_VSA2	PEOE_VSA3	PEOE_VSA4	PEOE_VSA5	PEOE_VSA6	PEOE_VSA7	PEOE_VSA8	PEOE_VSA9	PEOE_VSA10	PEOE_VSA11	PEOE_VSA12	PEOE_VSA13	SMR_VSA1	SMR_VSA2	SMR_VSA3	SMR_VSA4	SMR_VSA5	SMR_VSA6	SMR_VSA7	SMR_VSA8	SMR_VSA9	SlogP_VSA1	SlogP_VSA2	SlogP_VSA3	SlogP_VSA4	SlogP_VSA5	SlogP_VSA6	SlogP_VSA7	SlogP_VSA8	SlogP_VSA9	SlogP_VSA10	SlogP_VSA11	EState_VSA1	EState_VSA2	EState_VSA3	EState_VSA4	EState_VSA5	EState_VSA6	EState_VSA7	EState_VSA8	EState_VSA9	EState_VSA10	VSA_EState1	VSA_EState2	VSA_EState3	VSA_EState4	VSA_EState5	VSA_EState6	VSA_EState7	VSA_EState8	VSA_EState9	MDEC-11	MDEC-12	MDEC-13	MDEC-14	MDEC-22	MDEC-23	MDEC-24	MDEC-33	MDEC-34	MDEC-44	MDEO-11	MDEO-12	MDEO-22	MDEN-11	MDEN-12	MDEN-13	MDEN-22	MDEN-23	MDEN-33	MID	AMID	MID_h	AMID_h	MID_C	AMID_C	MID_N	AMID_N	MID_O	AMID_O	MID_X	AMID_X	MPC2	MPC3	MPC4	MPC5	MPC6	MPC7	MPC8	MPC9	MPC10	TMPC10	piPC1	piPC2	piPC3	piPC4	piPC5	piPC6	piPC7	piPC8	piPC9	piPC10	TpiPC10	apol	bpol	nRing	n3Ring	n4Ring	n5Ring	n6Ring	n7Ring	n8Ring	n9Ring	n10Ring	n11Ring	n12Ring	nG12Ring	nHRing	n3HRing	n4HRing	n5HRing	n6HRing	n7HRing	n8HRing	n9HRing	n10HRing	n11HRing	n12HRing	nG12HRing	naRing	n3aRing	n4aRing	n5aRing	n6aRing	n7aRing	n8aRing	n9aRing	n10aRing	n11aRing	n12aRing	nG12aRing	naHRing	n3aHRing	n4aHRing	n5aHRing	n6aHRing	n7aHRing	n8aHRing	n9aHRing	n10aHRing	n11aHRing	n12aHRing	nG12aHRing	nARing	n3ARing	n4ARing	n5ARing	n6ARing	n7ARing	n8ARing	n9ARing	n10ARing	n11ARing	n12ARing	nG12ARing	nAHRing	n3AHRing	n4AHRing	n5AHRing	n6AHRing	n7AHRing	n8AHRing	n9AHRing	n10AHRing	n11AHRing	n12AHRing	nG12AHRing	nFRing	n4FRing	n5FRing	n6FRing	n7FRing	n8FRing	n9FRing	n10FRing	n11FRing	n12FRing	nG12FRing	nFHRing	n4FHRing	n5FHRing	n6FHRing	n7FHRing	n8FHRing	n9FHRing	n10FHRing	n11FHRing	n12FHRing	nG12FHRing	nFaRing	n4FaRing	n5FaRing	n6FaRing	n7FaRing	n8FaRing	n9FaRing	n10FaRing	n11FaRing	n12FaRing	nG12FaRing	nFaHRing	n4FaHRing	n5FaHRing	n6FaHRing	n7FaHRing	n8FaHRing	n9FaHRing	n10FaHRing	n11FaHRing	n12FaHRing	nG12FaHRing	nFARing	n4FARing	n5FARing	n6FARing	n7FARing	n8FARing	n9FARing	n10FARing	n11FARing	n12FARing	nG12FARing	nFAHRing	n4FAHRing	n5FAHRing	n6FAHRing	n7FAHRing	n8FAHRing	n9FAHRing	n10FAHRing	n11FAHRing	n12FAHRing	nG12FAHRing	nRot	RotRatio	SLogP	SMR	TopoPSA(NO)	TopoPSA	GGI1	GGI2	GGI3	GGI4	GGI5	GGI6	GGI7	GGI8	GGI9	GGI10	JGI1	JGI2	JGI3	JGI4	JGI5	JGI6	JGI7	JGI8	JGI9	JGI10	JGT10	Diameter	Radius	TopoShapeIndex	PetitjeanIndex	Vabc	VAdjMat	MWC01	MWC02	MWC03	MWC04	MWC05	MWC06	MWC07	MWC08	MWC09	MWC10	TMWC10	SRW02	SRW03	SRW04	SRW05	SRW06	SRW07	SRW08	SRW09	SRW10	TSRW10	MW	AMW	WPath	WPol	Zagreb1	Zagreb2	mZagreb1	mZagreb2
13.427806	11.797726	0	0	19.655124	2.493535	4.98707	19.655124	1.156184	3.772794	3.787716	0.222807	1.862391	76.744425	4.514378	4.871109	6	6	25	17	0	0	10	8	0	7	3	4	2	0	0	1	0	0	1	272.493827	141.111111	428.111111	341.962963	318.666667	157.407407	313.777778	30.0	0.0	102.0	125.0	185.0	203.0	167.0	118.0	68.0	33.0	14.0	255.882011	65.059156	315.407922	255.087849	298.999057	155.482396	382.010802	102.993827	43.0	1464.0	1424.0	1817.0	2104.0	2080.0	1726.0	1310.0	293.0	62.0	5942.82721	5620.979403	7073.131742	8071.211781	7954.125387	6595.216569	5043.15085	866.662887	121.024512	6506.319327	7977.954903	12112.970315	13744.729736	11991.888248	8503.385774	5766.540006	2501.933885	855.795083	220.106419	221.03221	390.644302	488.447121	497.475247	389.436047	306.30282	178.617212	95.551488	182.5951	183.8662	328.0937	401.3705	410.1002	313.1757	255.3474	144.272	74.228	179.6608	177.9576	322.3049	391.766	401.1518	305.4786	252.5419	144.261	74.668	50.854419	58.642266	87.168092	103.149971	88.596899	66.167261	39.456538	18.515666	7.611557	4125.246083	3899.608252	7059.634735	9060.846594	9251.326072	7531.202093	5616.559366	3595.765567	2181.935071	10.899753	5.42735	9.51358	5.895913	5.590643	3.4219	9.805556	1.5	0.0	4.08	4.807692	4.111111	3.5	2.929825	2.565217	2.125	1.65	1.166667	10.23528	2.502275	7.009065	4.398066	5.245597	3.380052	11.937838	5.149691	3.583333	58.56	54.769231	40.377778	36.275862	36.491228	37.521739	40.9375	14.65	5.166667	237.713088	216.191515	157.180705	139.158824	139.546059	143.374273	157.598464	43.333144	10.085376	260.252773	306.844419	269.177118	236.978099	210.384004	184.856212	180.204375	125.096694	71.316257	8.804257	8.501239	8.680984	8.421502	8.727636	8.466001	9.571963	8.930861	7.962624	7.303804	7.071777	7.290971	6.920181	7.19474	6.808167	7.979606	7.2136	6.185667	7.186432	6.844523	7.162331	6.754586	7.037751	6.640839	7.891934	7.21305	6.222333	2.034177	2.255472	1.937069	1.778448	1.554332	1.438419	1.233017	0.925783	0.634296	165.009843	149.984933	156.880772	156.221493	162.303966	163.721785	175.51748	179.788278	181.827923	0.657307	-0.455292	0.315498	-0.247283	0.151029	-0.552607	0.896636	-0.492691	0.019194	123.111111	-38.691358	61.716049	-29.592593	-55.333333	-35.160494	101.111111	-78.098765	-11.407407	24.56	1.3776	-1.208	-8.0592	0.3632	-10.5504	-3.5968	1.672	5.4112	115.88345	-37.670339	73.334867	-28.97192	-51.917328	-66.091036	124.173594	-58.314198	-19.953777	539.84	74.7264	-106.712	-111.3088	-81.0752	161.4944	-103.2352	-262.712	55.6768	2397.148731	325.495351	-430.75237	-473.129749	-394.41973	670.757108	-432.104703	-1188.798825	249.040883	1159.70392	165.255991	145.096054	-91.752966	-633.903398	-103.749945	-286.753401	-300.564208	198.994542	3.751738	-0.056416	1.44122	-2.432217	-1.196331	-1.212047	4.684773	-3.047763	-0.546528	4.9062	-0.898264	2.22852	-2.533832	-1.498208	-1.929504	6.428312	-4.30418	-0.814568	5.315184	-1.403423	2.968801	-2.646987	-2.030756	-2.394315	7.437632	-4.373787	-0.991976	11.133306	-1.596108	1.474615	-0.535133	-2.023549	-2.890942	-3.424013	-0.184523	2.203077	45.312371	-3.042103	20.89904	-18.246806	-15.386054	-32.47014	11.772087	5.210981	5.893732	0.026292	-0.017511	0.007011	-0.004263	0.00265	-0.012013	0.02802	-0.024635	0.001599	4.924444	-1.488129	1.371468	-0.510217	-0.97076	-0.764359	3.159722	-3.904938	-0.950617	0.9824	0.052985	-0.026844	-0.138952	0.006372	-0.229357	-0.1124	0.0836	0.450933	4.635338	-1.448859	1.629664	-0.499516	-0.91083	-1.436762	3.880425	-2.91571	-1.662815	21.5936	2.874092	-2.371378	-1.919117	-1.422372	3.510748	-3.2261	-13.1356	4.639733	95.885949	12.519052	-9.572275	-8.157409	-6.919644	14.581676	-13.503272	-59.439941	20.753407	46.388157	6.356	3.224357	-1.581948	-11.121112	-2.255434	-8.961044	-15.02821	16.582879	0.15007	-0.00217	0.032027	-0.041935	-0.020988	-0.026349	0.146399	-0.152388	-0.045544	0.196248	-0.034549	0.049523	-0.043687	-0.026284	-0.041946	0.200885	-0.215209	-0.067881	0.212607	-0.053978	0.065973	-0.045638	-0.035627	-0.05205	0.232426	-0.218689	-0.082665	0.445332	-0.061389	0.032769	-0.009226	-0.035501	-0.062847	-0.107	-0.009226	0.18359	1.812495	-0.117004	0.464423	-0.3146	-0.269931	-0.705873	0.367878	0.260549	0.491144	-0.666023	0.266659	-0.162158	0.100776	-0.45691	1.065708	-0.93695	0.060835	-0.302192	0.278502	-0.103609	-0.197131	-0.155217	0.64164	-0.79297	-0.193041	0.053934	-0.027325	-0.141441	0.006486	-0.233466	-0.114414	0.085098	0.459012	-0.312568	0.351574	-0.107763	-0.196497	-0.309958	0.83714	-0.629018	-0.358726	0.133099	-0.109819	-0.088874	-0.06587	0.162583	-0.149401	-0.60831	0.214866	0.130562	-0.09983	-0.085074	-0.072165	0.152073	-0.140826	-0.619903	0.216438	0.137018	0.069508	-0.034102	-0.23974	-0.048621	-0.193175	-0.323967	0.357481	-0.014459	0.213415	-0.279436	-0.139857	-0.175578	0.975542	-1.015451	-0.303486	-0.176046	0.252347	-0.22261	-0.133934	-0.213738	1.023627	-1.096618	-0.345892	-0.253885	0.310306	-0.214657	-0.167573	-0.244819	1.093217	-1.028607	-0.388814	-0.137849	0.073584	-0.020718	-0.079718	-0.141123	-0.240271	-0.020717	0.412253	-0.064554	0.256234	-0.173573	-0.148928	-0.389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