Identifier_1	Bioavailability in %	numAtoms_v1.0	nSK_v1.0	nH_v1.0	nC_v1.0	nN_v1.0	nO_v1.0	nP_v1.0	nS_v1.0	nF_v1.0	nCl_v1.0	nBr_v1.0	nI_v1.0	nB_v1.0	nHM_v1.0	nX_v1.0	numBonds_v1.0	nBO_v1.0	nCIC_v1.0	nCIR_v1.0	nBM_v1.0	SCBO_v1.0	RBN_v1.0	RBF_v1.0	nSB_v1.0	nDB_v1.0	nTB_v1.0	nAB_v1.0	nR03_v1.0	nR04_v1.0	nR05_v1.0	nR06_v1.0	nR07_v1.0	nR08_v1.0	nR09_v1.0	nR10_v1.0	nR11_v1.0	nR12_v1.0	nBNZ_v1.0	CH3R_v1.0	CH2R2_v1.0	CHR3_v1.0	CH3X_v1.0	CH2RX_v1.0	CH2X2_v1.0	CHR2X_v1.0	CHRX2_v1.0	CHX3_v1.0	CR4_v1.0	CR3X_v1.0	CR2X2_v1.0	CRX3_v1.0	CX4_v1.0	=CH2_v1.0	=CHR_v1.0	=CR2_v1.0	=CHX_v1.0	=CRX_v1.0	=CX2_v1.0	#CH_v1.0	#CR_v1.0	#CX_v1.0	R--CH--R_v1.0	R--CR--R_v1.0	R--CX--R_v1.0	R--CH--X_v1.0	R--CR--X_v1.0	R--CX--X_v1.0	X--CH--X_v1.0	X--CR--X_v1.0	X--CX--X_v1.0	R-C(=X)-X_v1.0	X-C(=X)-X_v1.0	nCp_v1.0	nCs_v1.0	nCt_v1.0	nCq_v1.0	Hy_v1.0	MW_v1.0	AMW_v1.0	Sv_v1.0	Mv_v1.0	Se_v1.0	Sp_v1.0	Me_v1.0	Mp_v1.0	MLOGP_v1.0	mlogpCX_v1.0	mlogpON_v1.0	mlogpPRX_v1.0	mlogpUB_v1.0	mlogpHB_v1.0	mlogpPOL_v1.0	mlogpAMP_v1.0	mlogpALK_v1.0	mlogpRNG_v1.0	mlogpQN_v1.0	mlogpNO2_v1.0	mlogpNCS_v1.0	mlogpBLM_v1.0	nHDon_v1.0	nHAcc_v1.0	a_hyd_v1.0	BEHm1_v1.0	BEHm2_v1.0	BEHm3_v1.0	BEHm4_v1.0	BEHm5_v1.0	BEHm6_v1.0	BEHm7_v1.0	BEHm8_v1.0	BELm1_v1.0	BELm2_v1.0	BELm3_v1.0	BELm4_v1.0	BELm5_v1.0	BELm6_v1.0	BELm7_v1.0	BELm8_v1.0	BEHv1_v1.0	BEHv2_v1.0	BEHv3_v1.0	BEHv4_v1.0	BEHv5_v1.0	BEHv6_v1.0	BEHv7_v1.0	BEHv8_v1.0	BELv1_v1.0	BELv2_v1.0	BELv3_v1.0	BELv4_v1.0	BELv5_v1.0	BELv6_v1.0	BELv7_v1.0	BELv8_v1.0	BEHe1_v1.0	BEHe2_v1.0	BEHe3_v1.0	BEHe4_v1.0	BEHe5_v1.0	BEHe6_v1.0	BEHe7_v1.0	BEHe8_v1.0	BELe1_v1.0	BELe2_v1.0	BELe3_v1.0	BELe4_v1.0	BELe5_v1.0	BELe6_v1.0	BELe7_v1.0	BELe8_v1.0	BEHp1_v1.0	BEHp2_v1.0	BEHp3_v1.0	BEHp4_v1.0	BEHp5_v1.0	BEHp6_v1.0	BEHp7_v1.0	BEHp8_v1.0	BELp1_v1.0	BELp2_v1.0	BELp3_v1.0	BELp4_v1.0	BELp5_v1.0	BELp6_v1.0	BELp7_v1.0	BELp8_v1.0	ATS1m_v1.0	ATS2m_v1.0	ATS3m_v1.0	ATS4m_v1.0	ATS5m_v1.0	ATS6m_v1.0	ATS7m_v1.0	ATS8m_v1.0	ATS1v_v1.0	ATS2v_v1.0	ATS3v_v1.0	ATS4v_v1.0	ATS5v_v1.0	ATS6v_v1.0	ATS7v_v1.0	ATS8v_v1.0	ATS1e_v1.0	ATS2e_v1.0	ATS3e_v1.0	ATS4e_v1.0	ATS5e_v1.0	ATS6e_v1.0	ATS7e_v1.0	ATS8e_v1.0	ATS1p_v1.0	ATS2p_v1.0	ATS3p_v1.0	ATS4p_v1.0	ATS5p_v1.0	ATS6p_v1.0	ATS7p_v1.0	ATS8p_v1.0	MATS1m_v1.0	MATS2m_v1.0	MATS3m_v1.0	MATS4m_v1.0	MATS5m_v1.0	MATS6m_v1.0	MATS7m_v1.0	MATS8m_v1.0	MATS1v_v1.0	MATS2v_v1.0	MATS3v_v1.0	MATS4v_v1.0	MATS5v_v1.0	MATS6v_v1.0	MATS7v_v1.0	MATS8v_v1.0	MATS1e_v1.0	MATS2e_v1.0	MATS3e_v1.0	MATS4e_v1.0	MATS5e_v1.0	MATS6e_v1.0	MATS7e_v1.0	MATS8e_v1.0	MATS1p_v1.0	MATS2p_v1.0	MATS3p_v1.0	MATS4p_v1.0	MATS5p_v1.0	MATS6p_v1.0	MATS7p_v1.0	MATS8p_v1.0	GATS1m_v1.0	GATS2m_v1.0	GATS3m_v1.0	GATS4m_v1.0	GATS5m_v1.0	GATS6m_v1.0	GATS7m_v1.0	GATS8m_v1.0	GATS1v_v1.0	GATS2v_v1.0	GATS3v_v1.0	GATS4v_v1.0	GATS5v_v1.0	GATS6v_v1.0	GATS7v_v1.0	GATS8v_v1.0	GATS1e_v1.0	GATS2e_v1.0	GATS3e_v1.0	GATS4e_v1.0	GATS5e_v1.0	GATS6e_v1.0	GATS7e_v1.0	GATS8e_v1.0	GATS1p_v1.0	GATS2p_v1.0	GATS3p_v1.0	GATS4p_v1.0	GATS5p_v1.0	GATS6p_v1.0	GATS7p_v1.0	GATS8p_v1.0	T(N..N)_v1.0	T(N..O)_v1.0	T(N..S)_v1.0	T(N..P)_v1.0	T(N..F)_v1.0	T(N..Cl)_v1.0	T(N..Br)_v1.0	T(N..I)_v1.0	T(O..O)_v1.0	T(O..S)_v1.0	T(O..P)_v1.0	T(O..F)_v1.0	T(O..Cl)_v1.0	T(O..Br)_v1.0	T(O..I)_v1.0	T(S..S)_v1.0	T(S..P)_v1.0	T(S..F)_v1.0	T(S..Cl)_v1.0	T(S..Br)_v1.0	T(S..I)_v1.0	T(P..P)_v1.0	T(P..F)_v1.0	T(P..Cl)_v1.0	T(P..Br)_v1.0	T(P..I)_v1.0	T(F..F)_v1.0	T(F..Cl)_v1.0	T(F..Br)_v1.0	T(F..I)_v1.0	T(Cl..Cl)_v1.0	T(Cl..Br)_v1.0	T(Cl..I)_v1.0	T(Br..Br)_v1.0	T(Br..I)_v1.0	T(I..I)_v1.0	X0_v1.0	X1_v1.0	X2_v1.0	X3_v1.0	X4_v1.0	X5_v1.0	X0A_v1.0	X1A_v1.0	X2A_v1.0	X3A_v1.0	X4A_v1.0	X5A_v1.0	X0v_v1.0	X1v_v1.0	X2v_v1.0	X3v_v1.0	X4v_v1.0	X5v_v1.0	X0Av_v1.0	X1Av_v1.0	X2Av_v1.0	X3Av_v1.0	X4Av_v1.0	X5Av_v1.0	J_v1.0	Uindex_v1.0	Vindex_v1.0	Xindex_v1.0	Yindex_v1.0	Jhetm_v1.0	Jhetv_v1.0	Jhete_v1.0	Jhetp_v1.0	JhetZ_v1.0	GGI1_v1.0	GGI2_v1.0	GGI3_v1.0	GGI4_v1.0	GGI5_v1.0	GGI6_v1.0	GGI7_v1.0	GGI8_v1.0	GGI9_v1.0	GGI10_v1.0	JGI1_v1.0	JGI2_v1.0	JGI3_v1.0	JGI4_v1.0	JGI5_v1.0	JGI6_v1.0	JGI7_v1.0	JGI8_v1.0	JGI9_v1.0	JGI10_v1.0	JGT_v1.0	PW2_v1.0	PW3_v1.0	PW4_v1.0	PW5_v1.0	PJI2_v1.0	ECC_v1.0	AECC_v1.0	DECC_v1.0	SEigm_v1.0	SEigv_v1.0	SEige_v1.0	SEigp_v1.0	SEigZ_v1.0	VEA1_v1.0	VEA2_v1.0	VEA3_v1.0	TIE_v1.0	BLI_v1.0	SPI_v1.0	MWC01_v1.0	MWC02_v1.0	MWC03_v1.0	MWC04_v1.0	MWC05_v1.0	MWC06_v1.0	MWC07_v1.0	MWC08_v1.0	MWC09_v1.0	MWC10_v1.0	TWC_v1.0	SRW01_v1.0	SRW02_v1.0	SRW03_v1.0	SRW04_v1.0	SRW05_v1.0	SRW06_v1.0	SRW07_v1.0	SRW08_v1.0	SRW09_v1.0	SRW10_v1.0	MPC01_v1.0	MPC02_v1.0	MPC03_v1.0	MPC04_v1.0	MPC05_v1.0	MPC06_v1.0	MPC07_v1.0	MPC08_v1.0	MPC09_v1.0	MPC10_v1.0	piPC01_v1.0	piPC02_v1.0	piPC03_v1.0	piPC04_v1.0	piPC05_v1.0	piPC06_v1.0	piPC07_v1.0	piPC08_v1.0	piPC09_v1.0	piPC10_v1.0	IC0_v1.0	IC1_v1.0	IC2_v1.0	IC3_v1.0	IC4_v1.0	IC5_v1.0	BIC0_v1.0	BIC1_v1.0	BIC2_v1.0	BIC3_v1.0	BIC4_v1.0	BIC5_v1.0	SIC0_v1.0	SIC1_v1.0	SIC2_v1.0	SIC3_v1.0	SIC4_v1.0	SIC5_v1.0	CIC0_v1.0	CIC1_v1.0	CIC2_v1.0	CIC3_v1.0	CIC4_v1.0	CIC5_v1.0	TIC0_v1.0	TIC1_v1.0	TIC2_v1.0	TIC3_v1.0	TIC4_v1.0	TIC5_v1.0	Lop_v1.0	DP01_v1.0	DP02_v1.0	DP03_v1.0	DP04_v1.0	DP05_v1.0	DP06_v1.0	DP07_v1.0	DP08_v1.0	DP09_v1.0	DP10_v1.0	DP11_v1.0	DP12_v1.0	DP13_v1.0	DP14_v1.0	DP15_v1.0	DP16_v1.0	DP17_v1.0	DP18_v1.0	DP19_v1.0	DP20_v1.0	RDF010u_v1.0	RDF015u_v1.0	RDF020u_v1.0	RDF025u_v1.0	RDF030u_v1.0	RDF035u_v1.0	RDF040u_v1.0	RDF045u_v1.0	RDF050u_v1.0	RDF055u_v1.0	RDF060u_v1.0	RDF065u_v1.0	RDF070u_v1.0	RDF075u_v1.0	RDF080u_v1.0	RDF085u_v1.0	RDF090u_v1.0	RDF095u_v1.0	RDF100u_v1.0	RDF105u_v1.0	RDF110u_v1.0	RDF115u_v1.0	RDF120u_v1.0	RDF125u_v1.0	RDF130u_v1.0	RDF135u_v1.0	RDF140u_v1.0	RDF145u_v1.0	RDF150u_v1.0	RDF155u_v1.0	RDF010m_v1.0	RDF015m_v1.0	RDF020m_v1.0	RDF025m_v1.0	RDF030m_v1.0	RDF035m_v1.0	RDF040m_v1.0	RDF045m_v1.0	RDF050m_v1.0	RDF055m_v1.0	RDF060m_v1.0	RDF065m_v1.0	RDF070m_v1.0	RDF075m_v1.0	RDF080m_v1.0	RDF085m_v1.0	RDF090m_v1.0	RDF095m_v1.0	RDF100m_v1.0	RDF105m_v1.0	RDF110m_v1.0	RDF115m_v1.0	RDF120m_v1.0	RDF125m_v1.0	RDF130m_v1.0	RDF135m_v1.0	RDF140m_v1.0	RDF145m_v1.0	RDF150m_v1.0	RDF155m_v1.0	RDF010v_v1.0	RDF015v_v1.0	RDF020v_v1.0	RDF025v_v1.0	RDF030v_v1.0	RDF035v_v1.0	RDF040v_v1.0	RDF045v_v1.0	RDF050v_v1.0	RDF055v_v1.0	RDF060v_v1.0	RDF065v_v1.0	RDF070v_v1.0	RDF075v_v1.0	RDF080v_v1.0	RDF085v_v1.0	RDF090v_v1.0	RDF095v_v1.0	RDF100v_v1.0	RDF105v_v1.0	RDF110v_v1.0	RDF115v_v1.0	RDF120v_v1.0	RDF125v_v1.0	RDF130v_v1.0	RDF135v_v1.0	RDF140v_v1.0	RDF145v_v1.0	RDF150v_v1.0	RDF155v_v1.0	RDF010e_v1.0	RDF015e_v1.0	RDF020e_v1.0	RDF025e_v1.0	RDF030e_v1.0	RDF035e_v1.0	RDF040e_v1.0	RDF045e_v1.0	RDF050e_v1.0	RDF055e_v1.0	RDF060e_v1.0	RDF065e_v1.0	RDF070e_v1.0	RDF075e_v1.0	RDF080e_v1.0	RDF085e_v1.0	RDF090e_v1.0	RDF095e_v1.0	RDF100e_v1.0	RDF105e_v1.0	RDF110e_v1.0	RDF115e_v1.0	RDF120e_v1.0	RDF125e_v1.0	RDF130e_v1.0	RDF135e_v1.0	RDF140e_v1.0	RDF145e_v1.0	RDF150e_v1.0	RDF155e_v1.0	RDF010p_v1.0	RDF015p_v1.0	RDF020p_v1.0	RDF025p_v1.0	RDF030p_v1.0	RDF035p_v1.0	RDF040p_v1.0	RDF045p_v1.0	RDF050p_v1.0	RDF055p_v1.0	RDF060p_v1.0	RDF065p_v1.0	RDF070p_v1.0	RDF075p_v1.0	RDF080p_v1.0	RDF085p_v1.0	RDF090p_v1.0	RDF095p_v1.0	RDF100p_v1.0	RDF105p_v1.0	RDF110p_v1.0	RDF115p_v1.0	RDF120p_v1.0	RDF125p_v1.0	RDF130p_v1.0	RDF135p_v1.0	RDF140p_v1.0	RDF145p_v1.0	RDF150p_v1.0	RDF155p_v1.0	Mor01u_v1.0	Mor02u_v1.0	Mor03u_v1.0	Mor04u_v1.0	Mor05u_v1.0	Mor06u_v1.0	Mor07u_v1.0	Mor08u_v1.0	Mor09u_v1.0	Mor10u_v1.0	Mor11u_v1.0	Mor12u_v1.0	Mor13u_v1.0	Mor14u_v1.0	Mor15u_v1.0	Mor16u_v1.0	Mor17u_v1.0	Mor18u_v1.0	Mor19u_v1.0	Mor20u_v1.0	Mor21u_v1.0	Mor22u_v1.0	Mor23u_v1.0	Mor24u_v1.0	Mor25u_v1.0	Mor26u_v1.0	Mor27u_v1.0	Mor28u_v1.0	Mor29u_v1.0	Mor30u_v1.0	Mor31u_v1.0	Mor32u_v1.0	Mor01m_v1.0	Mor02m_v1.0	Mor03m_v1.0	Mor04m_v1.0	Mor05m_v1.0	Mor06m_v1.0	Mor07m_v1.0	Mor08m_v1.0	Mor09m_v1.0	Mor10m_v1.0	Mor11m_v1.0	Mor12m_v1.0	Mor13m_v1.0	Mor14m_v1.0	Mor15m_v1.0	Mor16m_v1.0	Mor17m_v1.0	Mor18m_v1.0	Mor19m_v1.0	Mor20m_v1.0	Mor21m_v1.0	Mor22m_v1.0	Mor23m_v1.0	Mor24m_v1.0	Mor25m_v1.0	Mor26m_v1.0	Mor27m_v1.0	Mor28m_v1.0	Mor29m_v1.0	Mor30m_v1.0	Mor31m_v1.0	Mor32m_v1.0	Mor01v_v1.0	Mor02v_v1.0	Mor03v_v1.0	Mor04v_v1.0	Mor05v_v1.0	Mor06v_v1.0	Mor07v_v1.0	Mor08v_v1.0	Mor09v_v1.0	Mor10v_v1.0	Mor11v_v1.0	Mor12v_v1.0	Mor13v_v1.0	Mor14v_v1.0	Mor15v_v1.0	Mor16v_v1.0	Mor17v_v1.0	Mor18v_v1.0	Mor19v_v1.0	Mor20v_v1.0	Mor21v_v1.0	Mor22v_v1.0	Mor23v_v1.0	Mor24v_v1.0	Mor25v_v1.0	Mor26v_v1.0	Mor27v_v1.0	Mor28v_v1.0	Mor29v_v1.0	Mor30v_v1.0	Mor31v_v1.0	Mor32v_v1.0	Mor01e_v1.0	Mor02e_v1.0	Mor03e_v1.0	Mor04e_v1.0	Mor05e_v1.0	Mor06e_v1.0	Mor07e_v1.0	Mor08e_v1.0	Mor09e_v1.0	Mor10e_v1.0	Mor11e_v1.0	Mor12e_v1.0	Mor13e_v1.0	Mor14e_v1.0	Mor15e_v1.0	Mor16e_v1.0	Mor17e_v1.0	Mor18e_v1.0	Mor19e_v1.0	Mor20e_v1.0	Mor21e_v1.0	Mor22e_v1.0	Mor23e_v1.0	Mor24e_v1.0	Mor25e_v1.0	Mor26e_v1.0	Mor27e_v1.0	Mor28e_v1.0	Mor29e_v1.0	Mor30e_v1.0	Mor31e_v1.0	Mor32e_v1.0	Mor01p_v1.0	Mor02p_v1.0	Mor03p_v1.0	Mor04p_v1.0	Mor05p_v1.0	Mor06p_v1.0	Mor07p_v1.0	Mor08p_v1.0	Mor09p_v1.0	Mor10p_v1.0	Mor11p_v1.0	Mor12p_v1.0	Mor13p_v1.0	Mor14p_v1.0	Mor15p_v1.0	Mor16p_v1.0	Mor17p_v1.0	Mor18p_v1.0	Mor19p_v1.0	Mor20p_v1.0	Mor21p_v1.0	Mor22p_v1.0	Mor23p_v1.0	Mor24p_v1.0	Mor25p_v1.0	Mor26p_v1.0	Mor27p_v1.0	Mor28p_v1.0	Mor29p_v1.0	Mor30p_v1.0	Mor31p_v1.0	Mor32p_v1.0	L1m_v1.0	L2m_v1.0	L3m_v1.0	P1m_v1.0	P2m_v1.0	E1m_v1.0	E2m_v1.0	E3m_v1.0	Tm_v1.0	Am_v1.0	Vm_v1.0	Km_v1.0	Dm_v1.0	L1v_v1.0	L2v_v1.0	L3v_v1.0	P1v_v1.0	P2v_v1.0	E1v_v1.0	E2v_v1.0	E3v_v1.0	Tv_v1.0	Av_v1.0	Vv_v1.0	Kv_v1.0	Dv_v1.0	L1e_v1.0	L2e_v1.0	L3e_v1.0	P1e_v1.0	P2e_v1.0	E1e_v1.0	E2e_v1.0	E3e_v1.0	Te_v1.0	Ae_v1.0	Ve_v1.0	Ke_v1.0	De_v1.0	L1p_v1.0	L2p_v1.0	L3p_v1.0	P1p_v1.0	P2p_v1.0	E1p_v1.0	E2p_v1.0	E3p_v1.0	Tp_v1.0	Ap_v1.0	Vp_v1.0	Kp_v1.0	Dp_v1.0	L1u_v1.0	L2u_v1.0	L3u_v1.0	P1u_v1.0	P2u_v1.0	E1u_v1.0	E2u_v1.0	E3u_v1.0	Tu_v1.0	Au_v1.0	Vu_v1.0	Ku_v1.0	Du_v1.0	L1s_v1.0	L2s_v1.0	L3s_v1.0	P1s_v1.0	P2s_v1.0	E1s_v1.0	E2s_v1.0	E3s_v1.0	Ts_v1.0	As_v1.0	Vs_v1.0	Ks_v1.0	Ds_v1.0	HATS0m_v1.0	HATS1m_v1.0	HATS2m_v1.0	HATS3m_v1.0	HATS4m_v1.0	HATS5m_v1.0	HATS6m_v1.0	HATS7m_v1.0	HATS8m_v1.0	H0m_v1.0	H1m_v1.0	H2m_v1.0	H3m_v1.0	H4m_v1.0	H5m_v1.0	H6m_v1.0	H7m_v1.0	H8m_v1.0	R1m_v1.0	R2m_v1.0	R3m_v1.0	R4m_v1.0	R5m_v1.0	R6m_v1.0	R7m_v1.0	R8m_v1.0	R1m+_v1.0	R2m+_v1.0	R3m+_v1.0	R4m+_v1.0	R5m+_v1.0	R6m+_v1.0	R7m+_v1.0	R8m+_v1.0	HATSm_v1.0	HTm_v1.0	RTm_v1.0	HATS0v_v1.0	HATS1v_v1.0	HATS2v_v1.0	HATS3v_v1.0	HATS4v_v1.0	HATS5v_v1.0	HATS6v_v1.0	HATS7v_v1.0	HATS8v_v1.0	H0v_v1.0	H1v_v1.0	H2v_v1.0	H3v_v1.0	H4v_v1.0	H5v_v1.0	H6v_v1.0	H7v_v1.0	H8v_v1.0	R1v_v1.0	R2v_v1.0	R3v_v1.0	R4v_v1.0	R5v_v1.0	R6v_v1.0	R7v_v1.0	R8v_v1.0	R1v+_v1.0	R2v+_v1.0	R3v+_v1.0	R4v+_v1.0	R5v+_v1.0	R6v+_v1.0	R7v+_v1.0	R8v+_v1.0	HATSv_v1.0	HTv_v1.0	RTv_v1.0	HATS0e_v1.0	HATS1e_v1.0	HATS2e_v1.0	HATS3e_v1.0	HATS4e_v1.0	HATS5e_v1.0	HATS6e_v1.0	HATS7e_v1.0	HATS8e_v1.0	H0e_v1.0	H1e_v1.0	H2e_v1.0	H3e_v1.0	H4e_v1.0	H5e_v1.0	H6e_v1.0	H7e_v1.0	H8e_v1.0	R1e_v1.0	R2e_v1.0	R3e_v1.0	R4e_v1.0	R5e_v1.0	R6e_v1.0	R7e_v1.0	R8e_v1.0	R1e+_v1.0	R2e+_v1.0	R3e+_v1.0	R4e+_v1.0	R5e+_v1.0	R6e+_v1.0	R7e+_v1.0	R8e+_v1.0	HATSe_v1.0	HTe_v1.0	RTe_v1.0	HATS0p_v1.0	HATS1p_v1.0	HATS2p_v1.0	HATS3p_v1.0	HATS4p_v1.0	HATS5p_v1.0	HATS6p_v1.0	HATS7p_v1.0	HATS8p_v1.0	H0p_v1.0	H1p_v1.0	H2p_v1.0	H3p_v1.0	H4p_v1.0	H5p_v1.0	H6p_v1.0	H7p_v1.0	H8p_v1.0	R1p_v1.0	R2p_v1.0	R3p_v1.0	R4p_v1.0	R5p_v1.0	R6p_v1.0	R7p_v1.0	R8p_v1.0	R1p+_v1.0	R2p+_v1.0	R3p+_v1.0	R4p+_v1.0	R5p+_v1.0	R6p+_v1.0	R7p+_v1.0	R8p+_v1.0	HATSp_v1.0	HTp_v1.0	RTp_v1.0	HATS0u_v1.0	HATS1u_v1.0	HATS2u_v1.0	HATS3u_v1.0	HATS4u_v1.0	HATS5u_v1.0	HATS6u_v1.0	HATS7u_v1.0	HATS8u_v1.0	H0u_v1.0	H1u_v1.0	H2u_v1.0	H3u_v1.0	H4u_v1.0	H5u_v1.0	H6u_v1.0	H7u_v1.0	H8u_v1.0	R1u_v1.0	R2u_v1.0	R3u_v1.0	R4u_v1.0	R5u_v1.0	R6u_v1.0	R7u_v1.0	R8u_v1.0	R1u+_v1.0	R2u+_v1.0	R3u+_v1.0	R4u+_v1.0	R5u+_v1.0	R6u+_v1.0	R7u+_v1.0	R8u+_v1.0	HATSu_v1.0	HTu_v1.0	RTu_v1.0	tSA_v1.0	tVSA_v1.0	tPSA_v1.0	tNPSA_v1.0	tPVSA_v1.0	tNPVSA_v1.0	fPSA_v1.0	fNPSA_v1.0	fPVSA_v1.0	fNPVSA_v1.0	t+veSA_v1.0	t-veSA_v1.0	t+veVSA_v1.0	t-veVSA_v1.0	f+veSA_v1.0	f-veSA_v1.0	f+veVSA_v1.0	f-veVSA_v1.0	tHpbSA_v1.0	tHplSA_v1.0	tHpbVSA_v1.0	tHplVSA_v1.0	fHpbSA_v1.0	fHplSA_v1.0	fHpbVSA_v1.0	fHplVSA_v1.0	tAromSA_v1.0	tAromVSA_v1.0	fAromSA_v1.0	fAromVSA_v1.0	tHDonorSA_v1.0	tHAccSA_v1.0	tHDonorVSA_v1.0	tHAccVSA_v1.0	fHDonorSA_v1.0	fHAccSA_v1.0	fHDonorVSA_v1.0	fHAccVSA_v1.0	HOMA_v1.0	HOMT_v1.0	RCI_v1.0	J3D_v1.0	RGyr_v1.0	Electro_v1.0
Molecule 525	20.0	32.0	16.0	16.0	13.0	1.0	1.0	0.0	0.0	0.0	1.0	0.0	0.0	0.0	16.0	1.0	33.0	17.0	2.0	2.0	7.0	21.0	2.0	0.060606062	26.0	1.0	0.0	6.0	0.0	0.0	0.0	2.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	0.0	0.0	0.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	-0.29052252	237.72461	7.428894	20.023252	0.62572664	31.86198	21.382954	0.9956869	0.6682173	3.363996	14.0	2.0	0.0	4.0	1.0	2.0	0.0	0.0	1.0	0.0	0.0	0.0	0.0	1.0	2.0	7.0	3.9683592	3.6298912	3.2397702	3.1190403	2.8532274	2.67287	2.4347677	2.10617	2.0108516	1.8125081	1.5164318	1.2999451	1.220233	1.0214828	0.8364105	0.62046224	3.861445	3.5583467	3.0359173	2.8135273	2.7057912	2.680485	2.399039	1.6151918	2.0083785	1.788264	1.5006189	1.2515618	1.1457286	0.95793504	0.79241264	0.4942393	3.9235466	3.6644022	3.2543786	3.0184789	2.8822649	2.7942996	2.5633485	2.0624495	1.9120829	1.654154	1.21221	0.9908918	0.90291286	0.7820668	0.57726383	0.012492512	3.8672466	3.565504	3.038031	2.8244362	2.731268	2.6978614	2.4216342	1.6319505	2.0000799	1.7736677	1.4861119	1.2293949	1.1144882	0.92636126	0.7567987	0.45315868	0.6355414	0.5265173	0.44412214	0.42132223	0.3263045	0.2568371	0.10204366	0.032839544	0.62505835	0.5199405	0.4448791	0.40536264	0.35403123	0.29161054	0.20173702	0.14257006	1.005428	0.9959036	1.0027566	0.99769443	0.9944124	0.99129623	0.9520743	0.93127924	0.6626012	0.56388324	0.49416476	0.46127468	0.41720268	0.35731637	0.26392853	0.20017222	0.009155456	0.052214574	-0.016678242	-0.0058415607	-0.14983368	-0.14711125	0.051396456	0.30560088	0.032783926	0.025737638	-2.544029E-4	-0.109055355	-0.099835694	-0.16079454	0.13002487	0.4185394	-0.029237716	-0.011145126	-0.11706587	0.08160252	-0.14105068	0.0015381865	-0.0076660244	0.058701303	0.029049536	0.032904934	0.022322455	-0.097502984	-0.10157934	-0.18085344	0.09786737	0.41248852	1.3099324	1.3510163	1.7490106	1.9635926	2.6766698	2.6934047	1.7813324	0.7641727	2.0116153	1.9481953	1.9278036	2.1485357	2.129868	2.2270625	1.6093718	0.97568613	1.2039024	1.3421702	2.2195113	1.7545801	2.5105908	2.5180483	1.8555539	1.4802083	1.9373949	1.8642881	1.8592075	2.128294	2.1973765	2.337489	1.6486913	0.88257134	0.0	4.0	0.0	0.0	0.0	4.0	0.0	0.0	0.0	0.0	0.0	0.0	6.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	11.596012	7.6774693	6.785684	9.90138	7.902489	7.1413393	0.72475076	0.45161584	0.28273684	0.2538815	0.116213076	0.06264333	9.424041	5.6346703	4.380958	6.7951484	4.088054	3.6688187	0.58900255	0.33145118	0.18253992	0.17423458	0.060118444	0.03218262	2.1166239	3.4922233	4.8847637	3.4867637	3.8675385	7.404347	7.7190104	9.497845	7.9330816	7.790388	4.0	2.4444444	1.6875	0.8933333	0.4861111	0.18040816	0.027777778	0.0	0.0	0.0	0.26666668	0.16296296	0.1125	0.059555557	0.032407407	0.012027211	0.0018518518	0.0	0.0	0.0	0.64797163	0.58536583	0.3298969	0.17154811	0.08	0.75	90.0	5.625	0.796875	1.0530281	-1.3586993	0.5985419	-1.6018531	1.0399159	0.0	0.0	0.0	70.11078	0.9943536	27.221315	1.230449	1.6127839	1.9867717	2.378398	2.7596679	3.15351	3.536937	3.9315088	4.3157396	4.7105827	4.9366193	0.0	34.0	0.0	130.0	0.0	622.0	0.0	3298.0	0.0	18394.0	17.0	24.0	32.0	41.0	46.0	39.0	34.0	28.0	19.0	13.0	21.0	58.0	114.5	196.5	277.5	281.5	289.5	277.0	214.5	162.5	1.4966964	2.6686451	3.7889097	4.53891	4.60141	4.60141	0.28730392	0.5122697	0.7273143	0.8712833	0.88328075	0.88328075	0.29933926	0.533729	0.7577819	0.90778196	0.92028195	0.92028195	3.5033038	2.331355	1.2110902	0.46109024	0.39859024	0.39859024	47.894283	85.396645	121.24511	145.24512	147.24512	147.24512	1.5052408	54.40324	113.84276	175.75569	218.5823	229.00583	207.78572	166.4387	119.38941	77.55107	46.027534	25.146263	12.725189	5.9966364	2.6437054	1.0948162	0.42741537	0.15780798	0.055261746	0.018401917	0.00584072	9.773889	1.9050749E-4	13.500293	4.1239495	3.6998072	7.1577106	7.230667	1.6593928	1.6161991	1.1418333	1.7050004	4.847148E-5	1.3790059E-29	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10.137177	4.7340195E-4	14.967003	4.342891	5.0000587	12.158883	12.35533	1.8375078	1.8442558	1.8826724	2.9440367	4.847148E-5	1.3790059E-29	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.169108	1.6851221E-4	12.589766	3.9383152	2.7136307	6.3958	7.09598	1.3386569	1.3992503	0.7170675	1.6751117	4.847148E-5	1.3790059E-29	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	10.10216	2.4460745E-4	14.132523	4.239995	4.460049	8.322296	8.055334	1.8343681	1.7749625	1.4957441	1.9018687	4.847148E-5	1.3790059E-29	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	9.034034	1.9309038E-4	12.482277	3.9050295	2.6634634	6.755494	7.587458	1.2669209	1.3823459	0.713765	1.7775689	4.847148E-5	1.3790059E-29	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	7.9317894	-1.9142088	-0.77813303	-2.710777	2.1883483	1.460326	-1.496064	-0.15561146	0.36902836	0.94193107	-0.15899064	-0.7404676	0.51558834	0.0660648	-0.009817473	0.025529671	-0.15122133	0.31826606	0.0549598	-0.11880485	0.068192884	0.015207626	0.1687207	-0.11261247	-0.1468156	0.04417627	0.066501245	0.08456043	0.027451845	-0.17519164	-0.046876088	0.0	7.255446	-1.9383141	-0.7722195	-3.432757	2.7311814	1.3616151	-1.468629	0.04755324	0.34576666	1.207408	-0.25477818	-0.61843646	0.67680556	-0.0076821097	-0.055529784	0.24234478	-0.16319163	0.3238952	0.10047824	-0.07412923	0.09964194	-0.077760294	0.31278712	-0.18366912	-0.1338244	0.0066675264	0.21070462	0.10443	-0.041638307	-0.06439121	-0.082197845	0.0	7.7230635	-1.8781712	-0.6394116	-2.616723	2.1995616	1.3038031	-1.438438	-0.11529476	0.35441342	0.96326303	-0.22891635	-0.72507554	0.49952394	0.07019122	0.0056119817	0.026988477	-0.1864313	0.2810692	0.09000874	-0.11196344	0.058901403	-0.032942936	0.16509904	-0.0596354	-0.14286523	0.03991379	0.051121518	0.06503212	0.047040403	-0.17193456	-0.051103543	0.0	7.8960147	-1.9304612	-0.8508147	-2.8556476	2.2391655	1.5348046	-1.5146867	-0.14506558	0.36591628	0.96468836	-0.12909847	-0.7265928	0.5453022	0.04846324	-0.02321896	0.058945496	-0.13189025	0.33423272	0.043434396	-0.11285213	0.07744639	0.02707572	0.18953346	-0.14981486	-0.14612746	0.038073495	0.096207224	0.099228784	0.007656555	-0.16215692	-0.051131856	0.0	7.5736156	-1.8564156	-0.62543195	-2.654397	2.2330914	1.2688749	-1.4238155	-0.08484283	0.34220254	0.9899619	-0.24951357	-0.71091735	0.5121819	0.057005648	0.00604607	0.047049433	-0.19347396	0.26881647	0.101238854	-0.10480517	0.057343725	-0.052029047	0.17461719	-0.054257166	-0.14248423	0.033361416	0.061593797	0.062466864	0.044131085	-0.1622652	-0.056040958	0.0	4.846563	2.6065075	0.7136292	0.59345436	0.31916294	0.48867017	0.18693702	0.14820549	8.166698	17.951332	35.133026	0.39018142	0.82381266	4.8196197	2.6926517	0.78294456	0.58101207	0.32460302	0.3917757	0.32659146	0.18017995	8.295215	18.85925	37.31517	0.37151796	0.8985471	5.0851088	3.2326062	1.0663095	0.54189014	0.34447983	0.43023968	0.5060392	0.33434257	9.384022	25.307411	52.219593	0.32955474	1.2706214	4.9219813	2.8091235	0.80701804	0.576471	0.3290094	0.40858644	0.35538232	0.19141498	8.538125	20.065594	39.761917	0.36470667	0.9553838	4.198492	2.3057764	0.61090505	0.59007597	0.32406473	0.319625	0.19597584	0.10484068	7.1151724	13.654274	26.683487	0.3851138	0.6204415	4.4046426	2.559932	0.67657363	0.5764372	0.33501926	0.41152132	0.18985835	0.11933673	7.641149	15.987633	31.257545	0.36718476	0.7207164	0.23475808	0.09469575	0.12281977	0.14223424	0.20152824	0.24326366	0.23764376	0.05762062	0.006882589	2.1537018	1.0571824	0.79788774	-0.0065497737	-0.49696055	-0.7506255	-0.8501502	-0.18140765	-0.020418698	0.13773297	0.11116292	0.0778181	0.08273867	0.07441265	0.09064555	0.031706013	0.0029217985	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.3414468	1.7026596	3.775251	0.10237751	0.0995067	0.12820075	0.15521418	0.19595392	0.25460705	0.22405185	0.10724769	0.027314652	1.1317338	1.09134	0.8699492	0.11833028	-0.54200625	-0.77911836	-0.7218071	-0.38357055	-0.101779014	0.06469078	0.038966388	0.027277894	0.020757489	0.026084168	0.015971629	0.012628922	0.0047744834	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.2944742	0.683072	4.156355	0.35780653	0.20560062	0.36661872	0.5648887	0.6332137	0.85654813	0.87197447	0.5740668	0.20356989	3.024749	2.1400793	2.6949162	1.5739732	-1.2658988	-2.0253754	-2.2224464	-1.606461	-0.66303337	0.13758482	0.07129724	0.08608054	0.05366434	0.04745837	0.04004496	0.04016437	0.0328298	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.6342874	1.6505026	12.161232	0.11889313	0.11029534	0.1489285	0.18484204	0.23296565	0.31040376	0.2788212	0.14191554	0.038732365	1.2711275	1.2006307	1.0379285	0.2230432	-0.58243513	-0.87714446	-0.8650698	-0.50668454	-0.14482084	0.06469078	0.04664651	0.03265426	0.024848709	0.031225255	0.016611245	0.012628922	0.006054506	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.5657976	0.75657505	4.862301	0.3472015	0.20562552	0.3746653	0.55708903	0.63220817	0.85554075	0.8582178	0.59705	0.214693	3.0	2.1409762	2.755582	1.5810329	-1.2270572	-1.9577663	-2.2574599	-1.670317	-0.7253078	0.11825635	0.08002097	0.06853344	0.042725127	0.053265244	0.033524256	0.031977057	0.026137603	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	4.642291	1.6396827	12.29162	3958.433	1234.1321	783.7863	3174.6467	253.3111	980.821	0.19800419	0.8019958	0.20525445	0.79474556	1360.3671	1180.6229	426.2317	412.34793	0.343663	0.29825512	0.3453696	0.33411977	1062.8356	1907.9984	379.49936	519.5542	0.26849905	0.48200852	0.30750304	0.42098752	913.784	326.99802	0.23084489	0.26496193	145.7722	269.39624	49.35177	87.66041	0.036825735	0.06805628	0.03998905	0.071030006	0.9478429	0.31294256	1.5652124	3.0529306	2.7982256	-0.5083906
Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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Molecule 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22108
Molecule 4	25.0	61.0	29.0	32.0	24.0	0.0	4.0	0.0	1.0	0.0	0.0	0.0	0.0	0.0	29.0	0.0	65.0	33.0	5.0	11.0	4.0	37.0	2.0	0.03076923	61.0	4.0	0.0	0.0	0.0	0.0	2.0	3.0	0.0	0.0	1.0	2.0	0.0	0.0	0.0	3.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	0.0	3.0	0.0	0.0	0.0	-0.8193372	416.5722	6.8290524	36.699585	0.60163254	60.604877	39.59773	0.9935226	0.6491431	3.3933158	24.0	4.0	1.0	4.0	0.0	0.0	0.0	0.0	1.0	0.0	0.0	0.0	0.0	0.0	3.0	1.0	4.0246816	3.8339012	3.7322578	3.4645894	3.2000847	3.0909438	2.9506943	2.8294115	2.0995479	1.874487	1.764519	1.5807111	1.5501775	1.5003089	1.4821551	1.3788888	3.9605865	3.7659829	3.4318867	3.30551	3.1567364	3.0677698	2.9696035	2.8124397	2.0742567	1.84528	1.719954	1.589616	1.565274	1.4555347	1.4297605	1.2961438	4.0277824	3.856978	3.5738704	3.446866	3.3071618	3.238559	3.125305	2.9798722	1.9844911	1.7243252	1.5646358	1.3998339	1.3270714	1.2497461	1.205386	1.0328456	3.9721177	3.772082	3.4727266	3.3664532	3.1654222	3.0843463	2.9839208	2.8271306	2.0593057	1.8326635	1.6993985	1.5690283	1.5346231	1.4348392	1.4056792	1.2665049	0.6259265	0.53598946	0.39985695	0.32219204	0.27109534	0.2845432	0.3056785	0.24686022	0.6199968	0.5224918	0.45645696	0.4009869	0.32505628	0.32292193	0.34578738	0.2899077	1.0001905	0.9914564	0.99446285	0.97573453	0.9611712	0.9778593	0.99139386	1.004051	0.6723252	0.5781487	0.51711595	0.46654496	0.3943155	0.38840887	0.4039345	0.34266683	0.08057259	0.15550937	-0.16721925	-0.13752756	0.068982795	-0.0012182739	-0.06486099	-0.08430987	0.06364961	0.0846059	-0.06585465	-0.17881556	0.009178261	0.06479731	-0.11677313	-0.09693315	0.004866826	0.15834488	-0.11509813	-0.06264657	0.025251748	-0.023194972	-0.056634683	0.0060528284	0.077078275	0.06840907	-0.07108961	-0.12610957	0.023285288	-0.0057867393	-0.12116475	-0.0879119	1.6254377	1.6235875	2.405269	2.0811427	1.8679513	2.377531	2.0770178	2.015826	2.2299685	2.0510266	2.25719	2.4409065	1.9538488	1.8064004	2.178638	2.0020769	1.1239481	0.97884864	1.9381876	1.4308121	1.2177414	1.8988078	2.2591746	2.8622808	2.102559	2.0654879	2.3265097	2.2590828	1.9612901	2.1758335	2.1742954	1.9064708	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	50.0	22.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	20.604084	13.683925	14.121077	23.096642	19.613895	15.721257	0.71048564	0.4146644	0.26150143	0.2309664	0.09662018	0.038532495	17.791954	11.314766	10.658879	18.917486	14.823049	12.566644	0.6135157	0.3428717	0.19738665	0.18917486	0.073019944	0.030800598	1.5031962	2.4235604	3.4124582	2.4323199	2.6910384	4.501668	4.7704673	6.0959554	4.9733815	4.801483	9.5	6.2222223	4.173611	2.9916666	1.9311111	1.3331065	0.81172055	0.36357552	0.2303318	0.046013672	0.3392857	0.22222222	0.14905754	0.10684524	0.06896825	0.04761095	0.02899002	0.01298484	0.008226136	0.0016433455	0.98583424	0.62068963	0.36199096	0.1996587	0.10711953	1.0	260.0	8.965517	1.2841855	1.6226388	-3.731372	1.0653353	-4.3849516	1.625	0.0	0.0	0.0	390.74014	1.0286151	715.37683	1.5185139	1.9395193	2.3443923	2.7678976	3.1849751	3.6103406	4.0327396	4.459166	4.8841662	5.31119	5.5151134	0.0	66.0	0.0	282.0	20.0	1470.0	252.0	8514.0	2340.0	52466.0	33.0	54.0	80.0	117.0	164.0	210.0	270.0	335.0	399.0	441.0	37.0	117.0	253.0	491.0	861.0	1316.0	1969.0	2799.0	3759.0	4631.0	1.3727193	2.573459	3.9906905	5.07394	5.4018083	5.4018083	0.22472191	0.42128977	0.6532986	0.8306326	0.8843066	0.8843066	0.23145847	0.4339189	0.6728827	0.8555327	0.9108157	0.9108157	4.5580177	3.3572783	1.9400467	0.8567975	0.52892864	0.52892864	83.73588	156.98099	243.43211	309.5103	329.5103	329.5103	0.94014406	144.43895	455.92584	1100.9705	2193.2532	3744.9631	5614.7393	7518.7227	9109.174	10086.11	10290.248	9739.016	8599.106	7117.6865	5546.022	4082.8022	2848.7522	1889.2827	1193.9266	720.56866	416.17056	16.447586	0.21994378	22.224623	7.1029882	8.4807625	15.436517	12.070152	14.36002	8.34634	6.501903	7.7544255	10.819958	7.8671975	5.4196086	3.720584	4.293682	1.9565514	2.5411618	0.13963033	0.78543967	0.41945827	7.3037945E-8	0.40839252	4.4045094E-16	0.0	0.0	0.0	0.0	0.0	0.0	16.485657	0.4318938	24.996658	7.427885	10.440386	18.829115	13.001123	18.07525	11.298734	7.313604	8.231396	13.164019	10.296264	6.099154	4.486667	4.820643	2.4775321	3.3603559	0.18381959	1.1764224	0.55876374	1.2960426E-7	0.72468376	7.8157075E-16	0.0	0.0	0.0	0.0	0.0	0.0	16.406387	0.13818309	21.207872	7.11402	7.086283	15.078232	10.703203	13.554521	7.3001003	5.405951	7.0570436	9.75804	6.644028	4.421056	2.8036718	3.5195205	1.1947035	1.3374041	0.074697025	0.32864565	0.21476176	1.9146835E-8	0.107059754	1.1546384E-16	0.0	0.0	0.0	0.0	0.0	0.0	16.476295	0.31565362	23.036121	7.1217647	9.505467	15.92796	12.996447	15.173433	9.23218	7.249413	8.227108	11.667399	8.822104	6.0962224	4.3502502	4.818339	2.47528	3.3568215	0.18362895	1.1745962	0.55816275	1.2932561E-7	0.7231257	7.798904E-16	0.0	0.0	0.0	0.0	0.0	0.0	16.40482	0.17212282	21.316404	7.2208624	7.246307	16.036905	10.545662	14.463467	7.8906493	5.2972174	6.976812	10.148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Molecule 481	5.0	32.0	18.0	14.0	10.0	4.0	4.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	18.0	0.0	33.0	19.0	2.0	3.0	11.0	25.0	5.0	0.15151516	22.0	1.0	0.0	10.0	0.0	0.0	1.0	1.0	0.0	0.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	2.0	1.0	1.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	1.0	1.0	0.0	1.0	0.0	2.0	0.0	0.0	1.0	0.0	0.0	2.0	1.0	0.0	0.0	2.2138152	254.242	7.9450626	19.011448	0.59410775	33.190094	19.628408	1.0371904	0.61338776	0.08098811	10.0	8.0	6.0	6.0	1.0	3.0	0.0	0.0	1.0	0.0	0.0	0.0	0.0	4.0	5.0	6.0	4.1019487	3.518215	3.3707616	3.025193	2.7326202	2.6984286	2.367074	2.0398083	1.9057742	1.7255987	1.5898479	1.2716217	1.1741197	1.011343	0.84271955	0.5526548	3.9727774	3.3626213	3.2140543	2.8399868	2.5318158	2.5147026	2.263002	1.8000336	2.063207	1.8065739	1.6435932	1.3367255	1.2291356	1.0726897	0.9616894	0.596281	4.121428	3.6038358	3.4544215	3.089378	2.9259167	2.8369331	2.5133793	2.2347028	1.8698211	1.5499036	1.4127281	1.0619738	0.79502535	0.7035151	0.60894656	0.10462326	3.959309	3.362256	3.1978657	2.827296	2.5411496	2.511616	2.2574267	1.7985374	2.0852156	1.8087513	1.6421411	1.3378326	1.2144138	1.0715442	0.9631343	0.58275646	0.70492023	0.6042748	0.5121617	0.44922405	0.35103765	0.40328556	0.34902763	0.38645065	0.5375047	0.46393737	0.39350984	0.344387	0.3243974	0.36205196	0.30902702	0.3199974	1.0987749	1.1022137	1.0894343	1.086674	1.0607383	1.0570505	1.041781	1.0605527	0.53773254	0.47434726	0.40941358	0.36814576	0.35148418	0.39456642	0.34201723	0.34857935	-0.024660328	-0.027600532	-0.022291906	-0.017309846	-0.061114833	-0.13352723	0.09685979	-0.118378974	0.009812896	0.09212065	-0.05008127	-0.092746794	0.12297714	-0.22186147	-0.010286486	-0.38934073	-0.2542351	-0.06499954	-0.06667599	0.07732113	-0