Datasets:

ThorKl
/

theobroma

comp_id large_stringlengths 12 12	Lipinski float64 0 4	QED float64 0 0.95	stereo_centers float64 0 153	PAINS_alert float64 0 4	BRENK_alert float64 0 8	NIH_alert float64 0 6	AMES float64 0 1	BBB_Martins float64 0 1	Bioavailability_Ma float64 0 0.99	CYP1A2_Veith float64 0 1	CYP2C19_Veith float64 0 1	CYP2C9_Substrate_CarbonMangels float64 0 0.73	CYP2C9_Veith float64 0 1	CYP2D6_Substrate_CarbonMangels float64 0 0.93	CYP2D6_Veith float64 0 1	CYP3A4_Substrate_CarbonMangels float64 0 1	CYP3A4_Veith float64 0 1	Carcinogens_Lagunin float64 0 0.97	ClinTox float64 0 0.94	DILI float64 0 1	HIA_Hou float64 0 1	NR_AR_LBD float64 0 1	NR_AR float64 0 1	NR_AhR float64 0 1	NR_Aromatase float64 0 1	NR_ER_LBD float64 0 0.99	NR_ER float64 0 1	NR_PPAR_gamma float64 0 1	PAMPA_NCATS float64 0 1	Pgp_Broccatelli float64 0 1	SR_ARE float64 0 1	SR_ATAD5 float64 0 0.97	SR_HSE float64 0 1	SR_MMP float64 0 1	SR_p53 float64 0 0.99	Skin_Reaction float64 0 1	hERG float64 0 1	Caco2_Wang float64 -53.24 -3.15	Clearance_Hepatocyte_AZ float64 -577.75 514	Clearance_Microsome_AZ float64 -170.89 1.13k	Half_Life_Obach float64 -248.88 1.03k	HydrationFreeEnergy_FreeSolv float64 -502.49 9.25	LD50_Zhu float64 -2.68 11.6	Lipophilicity_AstraZeneca float64 -38.75 9.73	PPBR_AZ float64 -473.4 189	Solubility_AqSolDB float64 -13.15 8.73	VDss_Lombardo float64 -80.98 69.4
THEO_1121886	4	0.686441	6	0	0	0	0.724904	0.633767	0.7477	0.000618	0.023111	0.096347	0.003313	0.069323	0.0346	0.371665	0.004111	0.110412	0.195141	0.181361	0.892818	0.067847	0.045832	0.003242	0.02032	0.043704	0.123735	0.048259	0.277051	0.026109	0.14683	0.02533	0.042706	0.020145	0.106575	0.653035	0.117094	-4.773725	41.309227	5.716677	6.072743	-14.511731	2.069287	-0.124989	28.650822	-0.795576	0.461452
THEO_1122385	4	0.448971	8	0	2	1	0.883817	0.938319	0.651045	0.140444	0.918135	0.058485	0.443214	0.029398	0.0233	0.795555	0.269547	0.229759	0.004309	0.629035	0.999812	0.03546	0.002661	0.012355	0.290167	0.08553	0.096245	0.197544	0.985464	0.069708	0.731536	0.14169	0.3346	0.606038	0.266216	0.899396	0.136594	-4.86391	73.90306	98.46784	76.876114	-7.046542	3.669118	4.22224	96.71265	-5.804803	12.634458
THEO_0035234	3	0.512567	10	0	0	0	0.717106	0.918099	0.837923	0.000636	0.106115	0.044325	0.042201	0.080796	0.003848	0.868007	0.646831	0.007082	0.101708	0.651405	0.999947	0.134266	0.256284	0.010154	0.10924	0.00946	0.050741	0.012397	0.973828	0.645155	0.342787	0.039958	0.019161	0.253386	0.088064	0.246501	0.47549	-4.829894	45.97442	52.319653	9.171133	-14.419757	2.918916	1.714199	78.07091	-3.768096	1.519682
THEO_1122540	3	0.363839	6	0	0	0	0.150239	0.176478	0.253093	0.000313	0.017948	0.005842	0.004129	0.004995	0.009805	0.081753	0.000906	0.026839	0.138886	0.114879	0.087953	0.013508	0.058416	0.004932	0.004304	0.048161	0.166429	0.001745	0.002871	0.003575	0.036593	0.009088	0.002121	0.002093	0.01276	0.257267	0.055863	-6.491787	22.026968	0.480952	-4.017897	-26.944218	1.529896	-1.336902	42.90766	-1.380779	1.548399
THEO_1122544	4	0.350857	5	0	0	0	0.148376	0.360131	0.359654	0.000266	0.013132	0.009642	0.002258	0.004704	0.005372	0.060362	0.000172	0.032614	0.09834	0.120002	0.112208	0.01392	0.056425	0.002486	0.001505	0.019557	0.130068	0.000914	0.005849	0.001558	0.03613	0.004532	0.001493	0.000669	0.013028	0.290615	0.011855	-6.214959	-17.435751	-24.996998	13.088766	-22.846285	1.840232	-2.119747	22.980347	-0.352156	-0.349922
THEO_1122545	4	0.350857	5	0	0	0	0.075445	0.434494	0.564731	0.000416	0.01833	0.026028	0.003361	0.004966	0.004189	0.047686	0.000201	0.101577	0.055504	0.209993	0.264937	0.004356	0.030783	0.001706	0.000856	0.007463	0.075954	0.000832	0.016676	0.001536	0.030962	0.001883	0.001244	0.000427	0.005468	0.276887	0.007559	-6.349874	-23.867304	-27.991482	18.939274	-23.941776	1.786641	-2.364363	21.033548	-0.163255	0.345585
THEO_0074207	4	0.731444	0	0	0	0	0.194795	0.32712	0.904034	0.09211	0.033482	0.087602	0.040413	0.048139	0.007517	0.276709	0.159144	0.139172	0.135135	0.914389	0.98463	0.00655	0.031555	0.277808	0.012035	0.004523	0.037186	0.000847	0.447266	0.015986	0.057559	0.008584	0.002458	0.019475	0.026972	0.127712	0.265159	-5.685682	3.431095	2.282137	69.32545	-21.902061	1.865769	-0.090889	86.215126	-3.684319	8.932904
THEO_0035248	3	0.33761	8	0	0	1	0.385468	0.08957	0.460082	0.002429	0.071047	0.006337	0.02919	0.050263	0.051613	0.405955	0.665152	0.034729	0.141512	0.416906	0.575008	0.036112	0.115312	0.056068	0.049389	0.013216	0.076026	0.006472	0.153668	0.290172	0.106526	0.063171	0.0087	0.105375	0.11948	0.21319	0.885	-5.422099	28.946491	54.25097	13.163263	-17.875774	3.479881	2.654567	98.578186	-4.348298	1.500409
THEO_0035245	2	0.326639	8	0	1	0	0.550959	0.829438	0.738127	0.005904	0.15306	0.137213	0.152234	0.146943	0.170017	0.851683	0.849007	0.050134	0.402408	0.613791	0.999315	0.126341	0.182553	0.034085	0.162442	0.061167	0.137181	0.074995	0.853092	0.939422	0.497035	0.066964	0.090174	0.449682	0.203077	0.27855	0.885218	-4.72056	167.86191	175.12546	-4.737905	-13.879877	2.586501	3.74176	106.1678	-5.435983	1.176337
THEO_1122632	2	0.135637	1	0	1	0	0.680127	0.927339	0.742599	0.464993	0.96953	0.231164	0.924154	0.140079	0.478378	0.849568	0.985318	0.171023	0.184727	0.880921	0.999998	0.006528	0.019215	0.488082	0.238368	0.019675	0.209412	0.02621	0.932941	0.979713	0.484783	0.073892	0.100155	0.429783	0.046153	0.388073	0.963755	-5.216612	92.375595	107.19546	12.970456	-13.295407	2.72361	4.12156	107.195656	-5.437834	-6.341665
THEO_1122680	4	0.171	1	2	4	1	0.7073	0.328757	0.3646	0.12273	0.15591	0.074228	0.154951	0.027699	0.19067	0.367684	0.217148	0.332553	0.265769	0.330711	0.304615	0.119842	0.035105	0.049456	0.035868	0.157251	0.092329	0.093677	0.09085	0.011157	0.480253	0.231341	0.182811	0.046558	0.246894	0.763998	0.218818	-6.071874	21.608593	33.72232	-37.836517	-20.437597	2.647965	-0.915371	78.20229	-2.476544	-1.900183
THEO_0035253	3	0.228	8	0	2	1	0.289188	0.95667	0.717573	0.001084	0.012783	0.067056	0.009535	0.507836	0.056451	0.870086	0.12434	0.0302	0.240871	0.066635	0.999968	0.016191	0.042674	0.001546	0.022238	0.055285	0.092428	0.007478	0.98008	0.812452	0.30099	0.001363	0.067618	0.251598	0.022414	0.710454	0.866411	-4.947146	150.81047	146.07646	45.538532	-4.826333	1.774168	4.516291	106.59294	-6.668527	4.20371
THEO_1122815	4	0.730097	1	0	0	0	0.25166	0.831377	0.884497	0.753898	0.545211	0.252617	0.224498	0.17972	0.106893	0.493165	0.065661	0.116862	0.060803	0.599088	0.999836	0.013434	0.02258	0.296372	0.074437	0.08195	0.259901	0.042404	0.924645	0.111153	0.252198	0.049093	0.065829	0.449111	0.089152	0.66322	0.238034	-4.50373	75.49919	52.324074	1.580831	-10.807252	2.582106	2.350709	82.85995	-3.329202	2.481135
THEO_1125684	1	0.134493	28	0	1	1	0.47576	0.023148	0.096512	0	0.008928	0.000022	0.000214	0.001096	0.002603	0.438207	0.000644	0.000037	0.047981	0.030774	0.139037	0.135264	0.091457	0.000025	0.183481	0.235115	0.40401	0.032938	0.00505	0.217536	0.223071	0.077397	0.006521	0.420205	0.31347	0.219972	0.493455	-6.730932	41.725807	66.14549	43.663933	-37.0966	2.70918	2.693056	90.42462	-4.984311	2.104557
THEO_0913319	4	0.338963	0	0	2	0	0.066874	0.99583	0.719209	0.956199	0.789363	0.1197	0.179875	0.295654	0.13352	0.549285	0.073011	0.070207	0.016673	0.142078	1	0.001399	0.00853	0.014311	0.013619	0.006171	0.05423	0.002788	0.995396	0.030004	0.025295	0.00206	0.025476	0.016841	0.002235	0.824915	0.28142	-4.270306	177.09274	133.54941	22.135485	-1.921372	1.527136	3.316649	85.716064	-4.405391	4.982849
THEO_0913548	4	0.566606	0	0	0	0	0.292573	0.058214	0.527621	0.910493	0.665835	0.05735	0.657543	0.014565	0.300731	0.326674	0.607767	0.063121	0.041166	0.902794	0.999686	0.029713	0.060807	0.856237	0.371609	0.56509	0.692321	0.043033	0.788081	0.441524	0.899933	0.331647	0.348031	0.983791	0.533719	0.813527	0.472612	-5.203311	89.75641	85.39839	7.709414	-16.040432	2.802893	3.599886	102.64535	-4.915384	3.411652
THEO_1125715	1	0.156145	22	0	1	1	0.323031	0.031545	0.20063	0	0.006017	0.000107	0.00056	0.013515	0.003223	0.525978	0.005071	0.00006	0.044635	0.0163	0.388773	0.080433	0.069919	0.000068	0.120239	0.171771	0.312905	0.013262	0.040341	0.327381	0.196179	0.018851	0.012356	0.414925	0.162349	0.262768	0.611491	-6.41122	47.010036	57.11106	36.019688	-31.526316	2.334804	2.524897	89.081535	-4.582102	2.644703
THEO_0913573	3	0.357806	9	0	1	0	0.012084	0.990753	0.391148	0.000653	0.326308	0.021481	0.208514	0.129046	0.032626	0.825902	0.267679	0.015768	0.020829	0.085945	1	0.000067	0.000716	0.000196	0.011147	0.015141	0.025239	0.001317	0.988363	0.886033	0.131291	0.000023	0.044953	0.253007	0.00098	0.702364	0.88941	-4.902665	146.07675	146.99455	47.107616	-3.797073	1.858369	4.552491	104.88277	-6.673221	4.38184
THEO_0913601	4	0.362512	2	0	2	2	0.085594	0.937961	0.65221	0.570816	0.822747	0.176492	0.537377	0.152217	0.124938	0.640799	0.191921	0.089158	0.025573	0.341295	0.999985	0.006312	0.009176	0.028815	0.088815	0.096715	0.195267	0.095657	0.976262	0.215148	0.294469	0.021151	0.165424	0.390227	0.062835	0.746246	0.35721	-4.488771	112.366806	94.9132	1.326372	-5.182765	2.314809	3.307887	90.04073	-4.319085	0.795053
THEO_0913633	3	0.15609	0	1	2	2	0.027572	0.955977	0.351461	0.563197	0.104447	0.109492	0.139172	0.077393	0.013127	0.718283	0.071035	0.043944	0.004251	0.371844	0.999998	0.009276	0.030939	0.006073	0.013231	0.082788	0.235895	0.050938	0.909776	0.580428	0.252215	0.00542	0.273583	0.143297	0.074057	0.898128	0.3968	-4.668126	143.47638	131.4775	59.58661	-5.530067	2.201268	4.045028	108.93546	-6.815384	9.641887
THEO_0913703	4	0.608478	1	0	1	0	0.801693	0.947109	0.935673	0.682157	0.087858	0.123117	0.009068	0.611451	0.320255	0.724935	0.314259	0.061924	0.561108	0.733936	0.999923	0.06248	0.081223	0.756839	0.129179	0.024957	0.1441	0.008186	0.951606	0.753637	0.319848	0.135609	0.02662	0.182246	0.150021	0.437641	0.945916	-4.801344	38.18059	50.80838	80.25728	-10.882031	3.342407	3.252689	98.00674	-5.415556	5.811825
THEO_0914012	4	0.353338	2	0	1	1	0.078768	0.177246	0.23555	0.000558	0.017399	0.009671	0.008993	0.000622	0.007527	0.012808	0.000121	0.166615	0.100504	0.202683	0.014084	0.002238	0.020713	0.002743	0.00013	0.008931	0.054587	0.000166	0.000684	0.000146	0.028611	0.001761	0.000745	0.000097	0.00349	0.323255	0.003003	-7.367758	-55.58557	-16.649698	46.417458	-30.720081	2.37848	-4.740073	35.388866	-1.962593	-1.213734
THEO_0914023	4	0.633084	3	1	1	0	0.68906	0.962184	0.831377	0.736598	0.721149	0.296658	0.38432	0.450787	0.649294	0.752062	0.493625	0.198652	0.514705	0.592006	0.999809	0.024667	0.031682	0.511739	0.132422	0.045039	0.182783	0.027471	0.946911	0.642806	0.286811	0.071344	0.081626	0.280283	0.099255	0.649514	0.893136	-4.696676	12.704206	29.461254	15.883738	-13.118032	3.946308	2.713396	89.732605	-4.5084	1.126012
THEO_0914040	1	0.171607	10	0	0	1	0.475932	0.022441	0.435721	0.007349	0.211753	0.009738	0.138869	0.002537	0.009769	0.215778	0.033069	0.101818	0.171238	0.936578	0.619605	0.008148	0.023535	0.098065	0.103283	0.050424	0.224386	0.005514	0.022531	0.077104	0.167161	0.081128	0.005144	0.242532	0.124763	0.133272	0.356961	-7.018472	4.266889	28.821201	26.014713	-38.611763	2.898946	0.528982	75.853455	-3.047378	7.548631
THEO_1125853	3	0.315915	2	1	1	2	0.380881	0.02372	0.447212	0.339692	0.285488	0.018397	0.345613	0.002674	0.108635	0.223039	0.420991	0.034935	0.054685	0.872281	0.990404	0.011782	0.089537	0.576838	0.145992	0.295903	0.519452	0.006479	0.250842	0.078082	0.653007	0.162974	0.098611	0.896702	0.303244	0.67572	0.321979	-6.080494	72.51361	53.460133	-23.750513	-22.53445	2.079766	1.36871	97.03754	-3.176264	1.532944
THEO_0119042	3	0.286225	5	0	2	0	0.754309	0.352508	0.662451	0.004431	0.322763	0.109066	0.383987	0.064933	0.021735	0.896644	0.777464	0.134893	0.099959	0.92909	0.996989	0.136037	0.019967	0.046764	0.340014	0.056455	0.070911	0.308984	0.854758	0.929401	0.753564	0.202054	0.334488	0.770383	0.503612	0.452223	0.731465	-4.800011	28.108585	77.6717	69.8536	-13.946439	4.405708	3.614094	105.022415	-6.083491	5.926292
THEO_0914894	3	0.62562	2	0	1	0	0.053266	0.980612	0.661202	0.160434	0.469255	0.100428	0.143194	0.385626	0.25368	0.685619	0.156967	0.036501	0.04136	0.073416	0.999998	0.000762	0.005878	0.007317	0.03927	0.025357	0.072603	0.003553	0.986171	0.459283	0.109242	0.00062	0.04567	0.287891	0.003857	0.749973	0.770907	-4.709317	128.86977	108.77997	19.600353	-4.623812	1.824713	3.955024	97.738556	-5.255581	4.886013
THEO_0119041	3	0.294277	5	0	3	0	0.792222	0.913281	0.807474	0.007777	0.28161	0.101229	0.101915	0.189835	0.016778	0.85161	0.693181	0.055875	0.157482	0.585235	0.99958	0.040403	0.066954	0.033157	0.208489	0.034484	0.102399	0.052527	0.962463	0.804889	0.585126	0.066176	0.10045	0.353351	0.140609	0.447525	0.674869	-4.852068	118.69505	109.31258	18.208641	-7.788822	2.16708	3.717248	101.30412	-4.879882	4.541815
THEO_0374883	2	0.148914	1	0	2	0	0.167834	0.402792	0.643617	0.036616	0.712129	0.155548	0.854815	0.027527	0.019847	0.703357	0.688943	0.090323	0.02452	0.973505	0.999982	0.01871	0.037863	0.188687	0.228087	0.085537	0.327688	0.155827	0.746519	0.987538	0.742762	0.084601	0.22082	0.83778	0.336358	0.258541	0.66167	-4.674691	43.107365	77.38303	154.5275	-10.254496	4.547525	4.147617	106.68156	-7.850455	-2.054111
THEO_0915606	4	0.668943	3	0	1	0	0.304363	0.319551	0.784199	0.053096	0.135924	0.290323	0.155428	0.04496	0.026305	0.393513	0.062118	0.32898	0.129408	0.802948	0.841119	0.049054	0.051505	0.03871	0.056565	0.070177	0.12947	0.176394	0.303868	0.092778	0.259609	0.074567	0.067681	0.096183	0.146624	0.504347	0.122822	-4.719727	20.798779	31.749023	-8.137583	-10.919714	3.431358	1.570621	97.68071	-4.647409	-3.784331
THEO_0915802	4	0.233902	7	0	3	0	0.796978	0.882363	0.652904	0.010482	0.167967	0.107374	0.058894	0.164924	0.166508	0.787188	0.529965	0.086069	0.263986	0.216322	0.998072	0.205217	0.154829	0.011583	0.136955	0.102282	0.163885	0.055225	0.894934	0.473121	0.560703	0.06949	0.175385	0.174544	0.214907	0.650528	0.613186	-4.521342	114.83982	119.41422	-1.50832	-10.261325	2.830513	3.096114	90.569016	-4.331678	1.866366
THEO_0698845	4	0.518737	1	0	1	0	0.186145	0.706553	0.807531	0.113821	0.706037	0.325514	0.690436	0.245322	0.219656	0.844551	0.921563	0.1617	0.275159	0.863692	0.999807	0.025279	0.042153	0.279515	0.224653	0.031123	0.096935	0.089403	0.907634	0.955368	0.437589	0.053574	0.082949	0.392701	0.11936	0.23979	0.894872	-4.771108	8.47978	26.975378	51.62495	-13.034946	4.124457	3.350062	99.17207	-4.950542	5.302478
THEO_0848829	4	0.455459	6	0	0	0	0.424855	0.281272	0.881056	0.004008	0.133468	0.120678	0.031637	0.162635	0.035849	0.731964	0.325258	0.052009	0.26143	0.731838	0.972985	0.022199	0.037481	0.061548	0.181478	0.037296	0.079033	0.083463	0.619226	0.691372	0.347925	0.059894	0.035963	0.466149	0.196004	0.215811	0.77883	-5.600085	24.056023	27.440525	12.786186	-20.821827	3.03654	1.984184	90.97644	-3.547051	5.158495
THEO_0848830	4	0.510747	6	0	0	0	0.530154	0.320374	0.847614	0.004848	0.130713	0.116269	0.034861	0.139575	0.042939	0.695942	0.214294	0.064875	0.292126	0.684606	0.958198	0.031592	0.042115	0.053498	0.178953	0.050762	0.108521	0.103991	0.523851	0.589663	0.335055	0.077705	0.039365	0.446609	0.216925	0.266763	0.732753	-5.598178	27.23045	23.928709	15.58318	-20.231785	2.887662	2.138196	93.34874	-3.662459	4.845506
THEO_0917940	3	0.383545	6	0	1	0	0.406577	0.169624	0.705542	0.002483	0.187182	0.144241	0.140115	0.092327	0.094752	0.719859	0.727785	0.12207	0.346403	0.692123	0.954281	0.042886	0.038057	0.039888	0.214521	0.091139	0.14007	0.154122	0.472501	0.719752	0.459771	0.085731	0.119229	0.401955	0.269424	0.243423	0.762943	-5.356797	55.849907	73.08122	-5.807149	-15.77139	2.97695	3.028076	94.459076	-3.880333	3.15505
THEO_0119098	4	0.534534	5	0	1	0	0.492372	0.411334	0.739514	0.097933	0.19189	0.22415	0.247056	0.104412	0.067495	0.645656	0.28948	0.143649	0.208518	0.84838	0.99378	0.215438	0.152795	0.148387	0.338643	0.180167	0.328507	0.233311	0.700666	0.72258	0.507155	0.239853	0.179981	0.717796	0.497884	0.426814	0.60036	-5.022666	50.23191	41.755642	6.818851	-13.165578	2.599036	2.452702	99.46037	-4.910678	0.486276
THEO_0918029	3	0.382624	3	1	3	1	0.458299	0.642756	0.637758	0.278863	0.486405	0.167723	0.383332	0.165106	0.131623	0.768792	0.404057	0.101552	0.100426	0.507955	0.999525	0.047118	0.016634	0.203237	0.353624	0.341077	0.400314	0.204493	0.892367	0.733599	0.731013	0.165641	0.46985	0.909201	0.469803	0.698563	0.719337	-5.113094	72.48458	69.10121	1.116586	-11.494684	2.804706	3.436858	104.35957	-5.192126	1.998695
THEO_0918427	4	0.203411	5	0	2	1	0.951684	0.897881	0.564699	0.219394	0.588745	0.163095	0.230221	0.159624	0.419953	0.823205	0.624457	0.30859	0.165083	0.351432	0.997822	0.269982	0.022334	0.029284	0.314928	0.26357	0.192565	0.32446	0.93904	0.187837	0.829842	0.381906	0.566856	0.483003	0.537893	0.906177	0.640549	-4.626457	126.10612	129.99403	34.95433	-7.338066	2.848773	3.799311	96.14608	-5.236851	7.632549
THEO_0918741	4	0.568124	0	1	1	0	0.541364	0.528195	0.561725	0.40513	0.516154	0.104822	0.657049	0.055341	0.043389	0.695041	0.398795	0.139298	0.037137	0.9713	0.999683	0.12598	0.047667	0.36842	0.252936	0.129678	0.254843	0.225128	0.904936	0.906261	0.796932	0.240178	0.341057	0.83271	0.476014	0.73446	0.42197	-4.688594	96.70589	97.49918	87.30209	-11.322509	2.394296	3.991578	106.00166	-6.88889	5.736785
THEO_0918802	3	0.328222	2	0	2	0	0.164062	0.945017	0.445459	0.4051	0.743199	0.165149	0.505337	0.255599	0.812705	0.737844	0.887905	0.243378	0.159197	0.200255	0.999939	0.008109	0.007302	0.032763	0.140258	0.031363	0.075607	0.033071	0.948921	0.693004	0.392151	0.006391	0.260908	0.190184	0.039045	0.801213	0.933946	-4.840684	99.74599	94.02232	30.127295	-9.450607	2.521922	4.091531	101.96973	-5.144368	8.002416
THEO_0919600	1	0.020019	23	0	1	1	0.320468	0.0002	0.041514	0	0.001608	0.000001	0.000107	0.000006	0.058893	0.08536	0.093563	0.00036	0.078562	0.110022	0.000077	0.005974	0.07203	0	0.000161	0.078481	0.316298	0.000048	0.000019	0.009923	0.022816	0.004045	0.000012	0.000095	0.082044	0.171483	0.167865	-10.133139	-18.212023	155.89796	-22.733944	-67.809875	3.338764	-1.149392	49.918385	-3.159617	-7.555389
THEO_0919701	4	0.676753	4	0	1	0	0.272846	0.526166	0.714333	0.000695	0.01639	0.087733	0.007659	0.282467	0.058808	0.622582	0.030067	0.021141	0.132602	0.072209	0.991251	0.031725	0.041281	0.004048	0.062232	0.106541	0.131266	0.047821	0.715304	0.279024	0.218493	0.008065	0.063346	0.243091	0.065551	0.531456	0.458578	-4.800457	43.704334	23.952587	18.141111	-12.151981	2.452186	1.34591	45.728745	-1.781547	3.69229
THEO_0919713	4	0.320618	6	0	3	2	0.729116	0.71416	0.745343	0.002079	0.069421	0.123249	0.021876	0.156211	0.106826	0.685925	0.103121	0.063008	0.268136	0.223852	0.9897	0.111326	0.078026	0.00956	0.102892	0.101538	0.159068	0.119415	0.723294	0.267168	0.388335	0.048507	0.132174	0.207486	0.228562	0.615149	0.427751	-4.680211	69.8271	57.590004	-6.023812	-11.202733	2.426717	1.797936	72.46485	-3.240173	-0.639541
THEO_0036529	4	0.795326	4	0	1	0	0.144569	0.973012	0.755293	0.25799	0.581206	0.168571	0.556091	0.259845	0.151763	0.746344	0.865503	0.065828	0.153698	0.406792	0.999994	0.012445	0.04569	0.042423	0.086097	0.015849	0.053783	0.008613	0.985933	0.601745	0.185379	0.007796	0.05606	0.080397	0.012663	0.431877	0.709073	-4.626432	91.16946	60.986988	-3.002929	-6.766428	1.956331	2.821554	98.32951	-4.456027	0.260271
THEO_0119202	4	0.38318	2	0	2	0	0.24646	0.949739	0.707479	0.064607	0.08483	0.205363	0.062248	0.17339	0.030398	0.68717	0.347788	0.111534	0.084072	0.225462	0.999683	0.158546	0.137181	0.007845	0.03009	0.037651	0.109724	0.044656	0.948462	0.242894	0.240008	0.019937	0.084353	0.028336	0.046979	0.71625	0.279353	-4.406596	79.73303	42.575054	-11.086748	-8.82501	1.995488	1.573866	79.92617	-3.392804	-1.44563
THEO_0919967	4	0.389288	0	0	3	0	0.688208	0.328867	0.677796	0.841087	0.463486	0.127859	0.468789	0.057061	0.106733	0.539194	0.231192	0.212592	0.05428	0.956085	0.998077	0.088431	0.041363	0.721704	0.24478	0.244402	0.332847	0.229517	0.908734	0.559224	0.876308	0.325041	0.331104	0.937774	0.545395	0.900744	0.364913	-4.628732	101.442924	88.3833	40.964867	-9.449884	2.560852	2.924045	103.79452	-5.498764	0.933056
THEO_0865712	2	0.212013	5	1	1	0	0.69756	0.140468	0.429721	0.041941	0.072825	0.02193	0.037256	0.02062	0.070181	0.339521	0.069632	0.055454	0.471975	0.789127	0.702711	0.084414	0.107679	0.316719	0.148154	0.110623	0.266169	0.014273	0.073579	0.094581	0.278975	0.20865	0.020482	0.251177	0.263856	0.305331	0.593614	-6.054545	42.179153	36.345448	0.809524	-26.901417	2.688949	1.453686	94.773964	-4.078939	3.905641
THEO_0374932	4	0.670487	4	0	1	0	0.272274	0.911645	0.854258	0.010834	0.015974	0.136632	0.005903	0.380323	0.042229	0.502113	0.04052	0.033079	0.178827	0.102816	0.999396	0.021675	0.069605	0.008447	0.007655	0.010165	0.073747	0.0038	0.879433	0.037594	0.043871	0.003987	0.011863	0.006311	0.011337	0.531302	0.271082	-4.479785	36.062023	-3.305858	2.610734	-8.736569	2.377488	0.284047	27.330723	-0.965659	-1.238439
THEO_1127588	4	0.681001	5	0	0	0	0.201435	0.895839	0.798083	0.016462	0.041793	0.136493	0.01628	0.564008	0.097348	0.650039	0.034995	0.029157	0.101336	0.0508	0.999554	0.015532	0.037666	0.005609	0.02696	0.054441	0.11609	0.01046	0.955391	0.239099	0.116351	0.002212	0.033917	0.146166	0.014017	0.713412	0.49977	-4.426199	76.156494	28.982666	15.968584	-7.786084	1.77689	2.234109	64.62735	-2.923655	3.131874
THEO_0076308	4	0.817787	1	0	0	0	0.225045	0.967249	0.813472	0.090375	0.433189	0.142501	0.298641	0.161844	0.017367	0.746682	0.591779	0.036321	0.092408	0.585645	0.999985	0.009146	0.041837	0.056162	0.063793	0.009864	0.06195	0.009771	0.979711	0.494137	0.214434	0.021514	0.026239	0.059422	0.017002	0.298077	0.502282	-4.347704	81.60523	63.706646	1.69825	-10.195654	2.584973	2.037188	62.102943	-2.785546	-0.815594
THEO_1127607	2	0.177329	17	0	1	0	0.316025	0.16582	0.523443	0.000002	0.008545	0.003987	0.004405	0.054481	0.004738	0.862208	0.143294	0.000989	0.133681	0.092422	0.975241	0.079917	0.043849	0.000486	0.160759	0.108605	0.121629	0.092109	0.568013	0.889258	0.458724	0.019113	0.084433	0.761233	0.267638	0.282156	0.835832	-5.470463	76.45816	89.04021	34.544315	-20.143295	2.797192	3.944505	104.37872	-5.517182	3.17718
THEO_0921230	4	0.580326	2	0	1	0	0.622623	0.735014	0.75249	0.389125	0.410507	0.251533	0.211409	0.23012	0.398873	0.668298	0.254352	0.235157	0.304537	0.369614	0.985663	0.087805	0.033696	0.163178	0.207424	0.199736	0.279958	0.161561	0.760589	0.198941	0.491794	0.143141	0.248285	0.387029	0.313433	0.731204	0.574781	-4.93779	90.79311	73.94374	-17.8164	-14.482007	2.309719	2.227089	83.93858	-3.344961	1.621891
THEO_0921232	4	0.706422	3	0	0	0	0.917051	0.893934	0.907772	0.353614	0.214032	0.181759	0.027192	0.177752	0.054838	0.483551	0.018835	0.136576	0.144038	0.504432	0.999306	0.045952	0.022884	0.21235	0.107042	0.090853	0.248026	0.063358	0.865641	0.04668	0.430169	0.120344	0.121634	0.344599	0.206449	0.811938	0.243196	-4.520806	95.39762	54.49989	2.012206	-8.525693	2.222513	2.420839	71.3671	-2.461835	1.336429
THEO_0921918	4	0.777902	4	0	1	0	0.234585	0.499556	0.732146	0.001517	0.01487	0.138581	0.009886	0.0972	0.037596	0.460439	0.009647	0.102749	0.209181	0.158767	0.90187	0.044805	0.046053	0.003054	0.017925	0.052499	0.133596	0.07218	0.311771	0.061316	0.122788	0.011168	0.046626	0.024311	0.057753	0.589455	0.16213	-4.984578	14.607788	-0.37004	-18.142895	-13.767596	2.444351	-0.070285	62.828564	-2.46057	-4.33701
THEO_0921983	4	0.765204	2	0	0	0	0.138875	0.148518	0.635348	0.782184	0.64059	0.172578	0.701798	0.02794	0.180403	0.418684	0.4304	0.158544	0.030259	0.87517	0.997985	0.031687	0.047418	0.443544	0.170984	0.381753	0.419296	0.207501	0.802897	0.179135	0.755418	0.213295	0.374246	0.900199	0.427267	0.765545	0.193524	-4.806348	40.98594	39.31029	-7.554349	-13.812231	3.159845	1.706249	94.889435	-3.912766	1.434724
THEO_0119328	4	0.598372	4	0	2	0	0.565262	0.946536	0.912026	0.107428	0.04455	0.1963	0.034785	0.269187	0.022732	0.614795	0.092522	0.073279	0.241725	0.585522	0.999394	0.054757	0.089887	0.056208	0.014074	0.009386	0.077897	0.008839	0.919368	0.084016	0.084147	0.033661	0.010293	0.020675	0.052913	0.486006	0.305568	-4.956666	11.417204	8.540312	-8.922874	-11.479307	2.678858	0.18622	63.42917	-2.488088	-2.264948
THEO_0922630	4	0.173473	1	0	3	0	0.262608	0.341386	0.218324	0.048567	0.026854	0.009049	0.005486	0.386623	0.480827	0.12432	0.033129	0.121459	0.017729	0.011017	0.229168	0.01682	0.02524	0.015627	0.058144	0.072422	0.106888	0.002344	0.31121	0.025391	0.257512	0.007984	0.018709	0.115266	0.025302	0.866652	0.652319	-7.171711	10.90542	40.48844	-23.105188	-29.75118	2.470045	-1.02448	14.251966	-1.605844	-0.415641
THEO_0211050	4	0.635614	0	0	1	1	0.820285	0.987945	0.968369	0.796408	0.129022	0.32278	0.011874	0.261707	0.006835	0.544594	0.005614	0.27035	0.048522	0.783264	0.999973	0.009599	0.016324	0.085107	0.006572	0.004967	0.104851	0.005694	0.983578	0.008022	0.05	0.027376	0.009536	0.014026	0.014905	0.765521	0.08194	-4.142457	109.600235	62.529785	11.933174	-4.564681	1.763821	1.760321	66.80823	-2.632078	-1.084317
THEO_1128028	2	0.207757	15	0	1	1	0.157698	0.312595	0.613072	0.000003	0.147171	0.012472	0.069813	0.064196	0.008736	0.82611	0.438285	0.025016	0.028571	0.149152	0.951369	0.000859	0.001763	0.000165	0.067757	0.034925	0.032685	0.022321	0.835333	0.892022	0.435143	0.000463	0.03543	0.48289	0.019283	0.476499	0.850874	-5.717012	45.670193	59.217243	27.91442	-22.925354	2.504523	2.72494	79.42485	-4.207154	2.708159
THEO_0036668	4	0.823656	0	0	1	1	0.738577	0.793774	0.853217	0.872512	0.357108	0.238368	0.229956	0.190835	0.047356	0.615829	0.089077	0.243345	0.082518	0.900102	0.998694	0.073979	0.033826	0.54626	0.122838	0.093091	0.197854	0.142128	0.947411	0.211972	0.570566	0.237657	0.136954	0.648101	0.322213	0.783538	0.250851	-4.448556	52.74486	15.86572	8.225431	-9.716463	1.886491	1.084686	68.01808	-2.68816	0.072919
THEO_0119338	2	0.202159	10	0	1	0	0.207061	0.549041	0.717903	0.000026	0.007625	0.02372	0.011725	0.015996	0.005196	0.697315	0.434191	0.018652	0.050296	0.48779	0.997523	0.205144	0.303443	0.000385	0.009177	0.006446	0.041591	0.004872	0.646197	0.455432	0.16205	0.005956	0.00804	0.015792	0.041382	0.258065	0.205174	-5.380508	49.56202	50.763298	-1.576895	-18.654362	1.994185	0.108131	83.43504	-4.01201	-3.991753
THEO_1128100	4	0.613758	3	0	1	0	0.050747	0.891447	0.845948	0.014859	0.040817	0.175643	0.013647	0.251483	0.030106	0.3576	0.002603	0.137641	0.04552	0.072448	0.999072	0.005205	0.00954	0.002127	0.007767	0.013983	0.047657	0.010822	0.886952	0.016792	0.051065	0.001186	0.020938	0.018623	0.005291	0.671748	0.099798	-4.253544	59.762707	10.560324	13.125552	-7.804642	2.116031	1.071312	35.625618	-0.926017	2.616437
THEO_1128101	4	0.53454	6	0	1	2	0.280315	0.365807	0.735245	0.001133	0.186706	0.204617	0.104665	0.04222	0.010221	0.554774	0.086332	0.194331	0.068791	0.60773	0.943563	0.054912	0.030212	0.004707	0.074866	0.067277	0.100114	0.230749	0.524139	0.179675	0.39419	0.050675	0.114945	0.064366	0.159098	0.476791	0.12205	-4.682971	54.522198	44.349922	-0.397265	-14.193634	2.638474	0.854994	51.332314	-2.001482	0.83743
THEO_0080958	4	0.80002	1	0	0	0	0.105113	0.55392	0.920297	0.049254	0.129599	0.487715	0.133484	0.068078	0.016119	0.317989	0.017586	0.299102	0.087375	0.881568	0.991622	0.015678	0.040989	0.049355	0.019993	0.026502	0.143053	0.074942	0.508191	0.087168	0.091576	0.019913	0.015471	0.077339	0.039893	0.375352	0.104878	-4.909178	36.83013	9.890867	-16.125422	-12.313493	1.948993	0.285985	79.94955	-2.820255	-3.279151
THEO_0923932	3	0.258582	2	0	2	0	0.242317	0.792825	0.501745	0.41763	0.753443	0.185488	0.717851	0.145477	0.586511	0.73818	0.933204	0.169035	0.149068	0.377776	0.999646	0.046873	0.019296	0.099409	0.313924	0.148234	0.152069	0.151365	0.910284	0.61238	0.692078	0.076153	0.556035	0.485223	0.237718	0.67603	0.801792	-4.753627	118.06649	101.893616	-2.038957	-8.841931	2.221143	3.391008	103.52101	-5.08925	2.468643
THEO_0751915	4	0.296193	0	1	2	3	0.189352	0.956911	0.386405	0.914632	0.758348	0.091476	0.584502	0.090042	0.06403	0.705122	0.412987	0.05636	0.011903	0.57833	0.999991	0.036545	0.032349	0.115348	0.077282	0.08616	0.197732	0.072777	0.96558	0.337684	0.399549	0.07217	0.322106	0.244969	0.135298	0.857314	0.293736	-4.379646	173.44003	152.03865	27.604893	-4.838067	1.733709	3.412774	101.73691	-5.93906	5.285142
THEO_0119444	4	0.277244	5	0	1	1	0.78905	0.534362	0.683743	0.000056	0.001154	0.016888	0.000218	0.008523	0.001317	0.145578	0.000202	0.069655	0.066416	0.256606	0.46435	0.028569	0.036617	0.000561	0.000307	0.008233	0.127921	0.000578	0.0392	0.000553	0.030892	0.006039	0.001561	0.000092	0.056012	0.731909	0.013466	-5.970128	-7.940368	-15.339388	-0.163	-20.39599	1.911099	-2.1231	2.328384	0.385965	-1.045744
THEO_1128625	4	0.597085	2	0	0	1	0.03124	0.399609	0.589581	0.000066	0.002788	0.047177	0.001493	0.004055	0.00188	0.040707	0.000019	0.240326	0.047869	0.10663	0.316146	0.003368	0.009415	0.000198	0.000202	0.005946	0.045659	0.0019	0.010686	0.000195	0.02046	0.000679	0.001942	0.000118	0.002042	0.4842	0.003059	-5.518532	8.211141	-11.961767	-10.007929	-16.399652	1.575733	-2.868645	45.388256	-1.358275	-2.797013
THEO_0924514	4	0.288458	0	0	2	0	0.477783	0.060897	0.553666	0.7001	0.315152	0.037592	0.42115	0.007439	0.097748	0.310878	0.451348	0.101687	0.077908	0.989509	0.99908	0.03842	0.132359	0.906988	0.320962	0.329198	0.629769	0.036128	0.725269	0.575207	0.910294	0.329899	0.152063	0.979845	0.515542	0.831185	0.407604	-5.186204	45.74767	19.227375	29.684717	-18.03843	2.420158	2.119038	95.01052	-4.114074	2.901492
THEO_0924592	1	0.030702	7	0	2	2	0.197893	0.604713	0.341981	0.001295	0.008343	0.054206	0.005752	0.24326	0.04816	0.885914	0.298939	0.029182	0.086101	0.171633	0.997933	0.006354	0.002957	0.002101	0.145479	0.065466	0.088096	0.222105	0.693824	0.973881	0.719408	0.004474	0.503852	0.581066	0.23646	0.723907	0.904124	-5.430504	78.56326	93.763794	71.83842	-17.418827	2.864543	4.48366	112.296524	-6.402998	12.682467
THEO_1128723	3	0.25078	9	0	0	1	0.313257	0.201405	0.137285	0.000106	0.034112	0.001622	0.003902	0.003266	0.009321	0.083179	0.001332	0.007862	0.1121	0.055495	0.032581	0.053994	0.084318	0.002613	0.012072	0.09615	0.247015	0.002346	0.002593	0.004659	0.066483	0.020724	0.002348	0.003651	0.038634	0.294628	0.053445	-6.728792	-5.750593	-7.294627	8.523062	-30.407618	1.801426	-2.023909	21.117687	-1.00263	-0.048305
THEO_0924986	1	0.036834	16	0	5	3	0.977421	0.039016	0.065593	0.000001	0.027512	0.000065	0.000878	0.000061	0.014972	0.32045	0.015843	0.001815	0.067644	0.48147	0.033604	0.503797	0.060512	0.000039	0.133344	0.159585	0.153458	0.029842	0.001563	0.00947	0.409837	0.464642	0.019659	0.08126	0.685695	0.44427	0.155456	-6.413941	27.356485	70.035225	28.329355	-36.579525	2.983084	2.085406	94.89366	-5.065674	3.09831
THEO_0925115	4	0.607929	9	0	1	0	0.37965	0.906325	0.685909	0.008355	0.100688	0.09905	0.093382	0.400139	0.131804	0.81628	0.512627	0.026704	0.265837	0.09607	0.999621	0.102524	0.16357	0.019305	0.108275	0.098276	0.15531	0.021334	0.961013	0.642213	0.367179	0.018645	0.100925	0.27042	0.075169	0.512269	0.787787	-5.052735	82.85697	72.043564	27.905365	-11.311574	2.394301	3.80629	100.27533	-5.00692	5.918429
THEO_0119510	4	0.469084	4	0	1	0	0.657123	0.948398	0.659275	0.002183	0.385013	0.045281	0.137346	0.03623	0.003281	0.780276	0.693605	0.027739	0.010102	0.583021	0.999988	0.040672	0.024409	0.006521	0.043034	0.006541	0.021142	0.010449	0.98497	0.181597	0.325554	0.009697	0.039522	0.028464	0.023615	0.569631	0.162525	-4.383969	124.824684	111.72091	-2.963074	-7.979372	1.932946	1.852026	81.05022	-3.508138	1.982274
THEO_0119536	3	0.233692	0	0	1	0	0.106255	0.06127	0.575802	0.290028	0.555104	0.114804	0.719519	0.006479	0.039022	0.407558	0.296716	0.153612	0.005199	0.958885	0.999689	0.028262	0.051017	0.18015	0.197667	0.463834	0.720374	0.212375	0.681261	0.783596	0.842592	0.134898	0.399215	0.963079	0.548443	0.770546	0.244625	-4.912488	122.50399	110.153114	-4.022001	-12.314562	2.375747	3.370208	105.95016	-5.109602	-4.266961
THEO_0925520	1	0.051449	11	0	0	0	0.415759	0.005467	0.10984	0.000017	0.028617	0.001483	0.025561	0.001062	0.170771	0.451064	0.579914	0.026302	0.614743	0.60017	0.085864	0.027934	0.084508	0.001513	0.153392	0.13034	0.219275	0.10273	0.001126	0.563811	0.356096	0.154461	0.037617	0.123654	0.420122	0.081836	0.894468	-8.043394	-8.152487	123.65221	-8.572398	-46.571102	3.761774	1.753525	97.73553	-3.487251	-9.41464
THEO_0925521	1	0.056566	10	0	0	0	0.449246	0.005868	0.139046	0.000051	0.039782	0.002681	0.048846	0.001888	0.200177	0.49155	0.635806	0.040182	0.678577	0.696722	0.155318	0.036049	0.081447	0.00399	0.222613	0.120416	0.192204	0.12839	0.002321	0.623336	0.420616	0.216566	0.053249	0.190407	0.512022	0.078075	0.929987	-7.949275	-13.742688	119.14882	10.601636	-46.43939	3.76545	1.839789	99.42317	-3.528863	-6.396825
THEO_0925605	4	0.736111	6	0	1	0	0.464272	0.914663	0.874259	0.170654	0.236986	0.187722	0.130774	0.27634	0.023072	0.77163	0.330043	0.027561	0.129431	0.425347	0.999899	0.074553	0.139784	0.077836	0.099444	0.047696	0.140766	0.02784	0.973475	0.325411	0.248336	0.049118	0.047041	0.318854	0.07272	0.469333	0.387167	-4.591691	135.39842	107.00199	-4.410892	-8.230589	1.808044	3.503314	99.08357	-5.043327	1.203517
THEO_0035258	3	0.269656	11	0	2	1	0.876474	0.838842	0.719712	0.000192	0.166853	0.032512	0.039864	0.109602	0.040291	0.917281	0.698527	0.019459	0.314176	0.365501	0.999605	0.060035	0.033148	0.007131	0.23415	0.066762	0.099329	0.0971	0.923445	0.931676	0.663684	0.062135	0.169683	0.772938	0.392727	0.448286	0.896217	-5.104735	100.39388	124.451584	28.334015	-14.388593	3.006533	3.88865	103.96316	-5.447761	5.538333
THEO_1122820	3	0.255418	5	0	2	0	0.247769	0.089615	0.774676	0.000043	0.004224	0.026797	0.001711	0.001772	0.001133	0.091784	0.001063	0.070449	0.097108	0.768696	0.219737	0.006255	0.052706	0.000873	0.000909	0.006073	0.073095	0.001927	0.004577	0.002572	0.018495	0.003633	0.000615	0.000301	0.018221	0.297975	0.017902	-5.850943	14.582889	46.377296	-24.695257	-20.158804	3.107874	0.485168	73.088135	-2.806622	-3.489662
THEO_0035260	3	0.595254	10	0	1	0	0.099119	0.749094	0.678993	0.002248	0.033043	0.088295	0.039478	0.434007	0.081891	0.787079	0.107775	0.006157	0.158375	0.036726	0.999924	0.049349	0.113356	0.003477	0.048289	0.185957	0.238237	0.008399	0.953073	0.622068	0.296271	0.003044	0.05324	0.268795	0.033664	0.446859	0.755031	-4.949505	61.10741	44.85478	22.315126	-11.338653	2.446965	3.207762	90.909134	-4.936477	3.308682
THEO_1122918	4	0.777416	1	0	1	2	0.59714	0.781875	0.902089	0.122944	0.76374	0.182731	0.433836	0.07216	0.004823	0.736054	0.317692	0.07633	0.024487	0.948104	0.999974	0.004441	0.014408	0.219941	0.171208	0.030013	0.18069	0.056692	0.949857	0.625449	0.373591	0.072887	0.042672	0.493803	0.092687	0.375128	0.391587	-4.654094	135.91472	116.94688	6.792007	-7.541791	2.063851	3.036106	96.44423	-4.517585	0.707757
THEO_0035263	4	0.64571	2	0	1	0	0.145478	0.982651	0.755926	0.422297	0.412919	0.142997	0.108477	0.404629	0.139886	0.665676	0.130967	0.077019	0.052027	0.094224	0.999991	0.003651	0.012812	0.009789	0.025963	0.021408	0.070691	0.006075	0.98982	0.092138	0.072433	0.002357	0.04466	0.064598	0.006255	0.813761	0.490402	-4.381348	154.49637	116.639694	15.504448	-3.132745	1.564163	3.522927	88.10179	-4.529935	3.533309
THEO_1122956	3	0.204237	6	0	3	0	0.701594	0.576798	0.689582	0.005431	0.129491	0.110858	0.038441	0.118684	0.128147	0.716011	0.288676	0.140637	0.257017	0.362717	0.951896	0.067366	0.039118	0.009787	0.170654	0.088179	0.154061	0.207639	0.647938	0.545723	0.48664	0.059231	0.142719	0.258147	0.280731	0.584371	0.624093	-4.636469	117.66724	111.15538	-0.18497	-13.516747	2.647064	3.03047	89.42761	-4.144913	4.32613
THEO_1123156	4	0.314123	4	0	2	0	0.411314	0.611318	0.651881	0.007745	0.038111	0.08632	0.025032	0.285353	0.12412	0.786571	0.281547	0.060357	0.195704	0.105525	0.977574	0.049003	0.027936	0.006566	0.076054	0.117341	0.121028	0.070048	0.849484	0.376449	0.355992	0.017044	0.133844	0.253166	0.10868	0.69996	0.700037	-4.817796	93.598854	98.258804	17.93427	-11.924579	2.866354	3.451062	93.766884	-4.666592	6.556557
THEO_1123361	3	0.268657	2	0	2	1	0.260382	0.688722	0.526882	0.316438	0.449144	0.146494	0.332252	0.277966	0.50785	0.779638	0.704836	0.114259	0.11994	0.175801	0.996293	0.019781	0.007356	0.094847	0.283126	0.193731	0.176431	0.098226	0.897874	0.609767	0.609464	0.037622	0.46245	0.68865	0.220544	0.776249	0.879764	-4.967123	150.7327	143.735	-3.289663	-13.243118	2.314343	4.294675	101.98091	-5.024437	3.661665
THEO_1123651	4	0.645809	2	0	0	0	0.045223	0.959936	0.831776	0.033919	0.030664	0.165728	0.010196	0.403555	0.032647	0.442127	0.002807	0.042372	0.05409	0.046222	0.999937	0.005331	0.029229	0.002008	0.007885	0.022946	0.12047	0.004164	0.9641	0.059174	0.049284	0.000956	0.012926	0.021117	0.003928	0.61489	0.179539	-4.317496	32.07747	-8.556081	7.201346	-8.613724	2.408083	0.510176	27.111568	-0.999407	-1.933488
THEO_1123755	1	0.098158	25	0	0	0	0.97325	0.023137	0.62639	0	0.016257	0.001029	0.001153	0.000834	0.002041	0.647194	0.049584	0.003277	0.294402	0.92839	0.659248	0.254252	0.020985	0.000215	0.626613	0.069042	0.143686	0.264782	0.051035	0.582272	0.69303	0.377376	0.020199	0.881496	0.928052	0.253997	0.853569	-6.50771	39.33702	99.12654	68.420204	-39.064247	3.799901	2.856606	94.8129	-5.270099	14.099277
THEO_0759776	4	0.55813	2	0	0	0	0.575011	0.986204	0.941111	0.067932	0.033219	0.233826	0.003599	0.215285	0.004051	0.450614	0.002401	0.183489	0.050381	0.282323	0.999868	0.006996	0.014581	0.004597	0.00301	0.002421	0.040928	0.003044	0.970935	0.003424	0.025038	0.003963	0.007927	0.001316	0.004606	0.721826	0.03964	-3.908435	69.381035	3.205908	-1.459412	-6.318849	1.493039	-0.086432	25.694813	-0.178152	-1.905418
THEO_0375153	4	0.583163	5	0	0	0	0.454869	0.059702	0.113259	0.000845	0.003889	0.000033	0.000081	0.133508	0.007227	0.006277	0.003299	0.032812	0.000117	0.00293	0.029852	0.002855	0.063154	0.004091	0.001421	0.002634	0.072199	0	0.025321	0.000061	0.013368	0.000276	0.000033	0.00024	0.000251	0.829048	0.231197	-5.739974	16.419079	-11.800584	9.505761	-19.477669	1.914083	-1.722887	-12.305975	-0.518133	-0.056837
THEO_0927188	4	0.522358	3	0	1	0	0.314477	0.935763	0.718145	0.025377	0.356744	0.177008	0.155985	0.208325	0.112874	0.732744	0.365924	0.115795	0.154781	0.284788	0.999783	0.030658	0.045737	0.010906	0.093407	0.044814	0.115813	0.045227	0.951532	0.530147	0.337372	0.014204	0.080407	0.157946	0.051178	0.60739	0.582905	-4.302679	114.37417	88.665115	-12.611122	-7.484486	1.936608	2.493748	87.26375	-3.977965	-1.04101
THEO_0927225	4	0.187932	0	0	5	0	0.715552	0.483329	0.613161	0.445899	0.126975	0.069339	0.086076	0.160918	0.296248	0.404942	0.242562	0.228818	0.283959	0.40717	0.619747	0.172219	0.08376	0.217119	0.059955	0.071213	0.102146	0.032489	0.44194	0.02879	0.272634	0.146107	0.054313	0.091773	0.259697	0.64241	0.52214	-6.305594	0.1037	14.230632	8.658674	-23.435032	2.429141	-0.043248	60.771374	-2.626297	3.794614
THEO_0119665	4	0.832663	1	0	0	0	0.456543	0.935945	0.780935	0.305968	0.748711	0.265255	0.41234	0.227291	0.281762	0.744231	0.809573	0.158177	0.219867	0.653379	0.999958	0.018039	0.030317	0.18038	0.098306	0.018243	0.110908	0.023255	0.942695	0.564686	0.249865	0.04408	0.061198	0.097788	0.04626	0.498852	0.753479	-4.642921	72.31466	52.587364	-15.967242	-12.340803	2.274024	1.659675	75.56398	-3.160398	-4.825215
THEO_0927575	1	0.022404	8	0	3	4	0.261145	0.352577	0.319259	0.001385	0.049858	0.050356	0.027734	0.139462	0.081431	0.894247	0.70891	0.073548	0.129671	0.208813	0.948777	0.029566	0.006943	0.003698	0.279993	0.102333	0.094084	0.452834	0.69902	0.95127	0.80806	0.042618	0.58622	0.616145	0.414648	0.593429	0.917559	-5.658292	83.64928	113.06807	44.216194	-22.0428	2.979113	4.284953	110.43799	-5.924079	7.710848
THEO_1129753	2	0.272182	8	0	0	0	0.596997	0.247066	0.489103	0.003816	0.114936	0.024539	0.025816	0.128124	0.160294	0.678709	0.52543	0.024166	0.199235	0.235037	0.876205	0.076787	0.055264	0.03535	0.180526	0.116128	0.143839	0.070394	0.394833	0.577829	0.393714	0.095575	0.082774	0.416641	0.229549	0.39635	0.834484	-5.678248	57.662933	93.647415	7.403942	-19.44601	2.978308	3.638714	104.58982	-4.926024	0.729798
THEO_0928202	4	0.330276	5	0	3	2	0.55755	0.83672	0.734827	0.011716	0.117719	0.133805	0.055556	0.297032	0.135438	0.752057	0.423421	0.065837	0.244074	0.178341	0.997946	0.054898	0.072449	0.016626	0.120974	0.081462	0.131483	0.050708	0.897283	0.516135	0.424227	0.024752	0.137608	0.217418	0.116025	0.580669	0.629701	-4.539437	123.10048	106.1876	-7.213978	-9.541533	2.140394	2.970446	88.34631	-4.105054	0.5952
THEO_1129848	4	0.500266	3	0	0	0	0.839697	0.708843	0.804755	0.010443	0.003571	0.050853	0.002942	0.010806	0.003109	0.167308	0.001169	0.201268	0.338954	0.961523	0.840092	0.014998	0.018068	0.078107	0.005838	0.00657	0.107385	0.001516	0.071083	0.002155	0.105199	0.033518	0.005891	0.009623	0.184752	0.376005	0.072706	-6.069719	-2.94189	-6.036026	3.069791	-23.735607	2.320553	-0.925272	36.524384	-2.206764	2.781175
THEO_0119734	2	0.100478	5	0	2	0	0.109214	0.500815	0.506811	0.000914	0.663374	0.099106	0.867935	0.029567	0.016921	0.885799	0.940843	0.059649	0.054436	0.954242	0.999996	0.002291	0.005281	0.067685	0.297979	0.03402	0.125967	0.134013	0.753966	0.99941	0.814094	0.021957	0.327631	0.833851	0.18787	0.107317	0.959667	-5.229656	57.13264	98.611435	87.603615	-14.352091	4.084845	4.401588	108.382545	-5.864646	-0.049012
THEO_1130091	1	0.195322	14	0	1	0	0.522131	0.217525	0.700997	0.000035	0.018657	0.012752	0.006111	0.028851	0.004851	0.810106	0.092811	0.004287	0.212742	0.580423	0.973563	0.174108	0.067418	0.00263	0.296982	0.052323	0.128258	0.201104	0.492918	0.834459	0.452298	0.118487	0.042782	0.82293	0.519371	0.229653	0.793968	-5.753985	21.626852	83.2808	42.737556	-23.29225	4.208145	3.778632	102.49441	-4.712388	4.75963
THEO_0929949	2	0.094686	6	0	2	1	0.483639	0.488525	0.444399	0.01664	0.157839	0.059507	0.041605	0.219982	0.314737	0.72002	0.536567	0.123114	0.196518	0.222031	0.820248	0.054429	0.031765	0.018775	0.272003	0.132259	0.193598	0.233012	0.604345	0.701714	0.564597	0.063212	0.236972	0.400164	0.278801	0.660602	0.83443	-5.722056	57.799725	64.09763	15.968031	-20.507298	2.499426	2.498827	83.60237	-3.718096	6.605007

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THEOBROMA v1.36

An aggregated open database of 1,132,805 natural products from 29 sources, with per-compound license auditing, three-tier classification provenance, and stereochemistry-aware deduplication.

Live instance: https://theobroma.l3s.uni-hannover.de
Archival record: https://doi.org/10.5281/zenodo.20443051 (concept DOI, resolves to latest)
This release: https://doi.org/10.5281/zenodo.22816330
Preprint: https://doi.org/10.64898/2026.06.12.731585

Licensing

This dataset is not uniformly licensed. Each compound carries a resolved license tier in the license_tier column, computed under a most-restrictive-wins rule across all attesting sources.

Tier	Compounds
CC BY 4.0	887,999
CC BY-NC 4.0	229,397
CC0	8,243
Unspecified	7,166

896,242 compounds (79.12%) are open-licensed under the most restrictive resolution. A least-restrictive bound is also recorded in tier_rank_min, under which 1,029,587 compounds (90.9%) reach CC BY or better from at least one attesting source. Downstream use must be governed by license_tier per compound, not by any single license applied to the whole dataset. The license_attestations table records which source asserted which terms for each compound, and source_licenses maps each source to its tier.

Tables

File	Rows	Contents
`compounds`	1,132,805	structures, identifiers, descriptors, classification, license tier
`compound_taxonomy`	1,504,425	per-source organism attestations
`resolved_taxonomy`	1,132,805	majority-voted lineage
`license_attestations`	1,512,594	per-source license attestation chain
`source_licenses`	53	source-to-tier map; `in_corpus` marks the 29 integrated sources
`synonyms`	481,817	compound synonyms
`regions`	772,870	macro-region mapping
`admet`	1,132,789	47-column in silico ADMET surface
`scaffolds`	1,132,805	Bemis-Murcko scaffolds

Note that license_tier appears in two tables with different meanings: in compounds it is the resolved tier after most-restrictive-wins across all attesting sources, and in license_attestations it is the tier stated by that individual source. Use suffixes when joining the two.

Nested columns are stored as Arrow structs rather than JSON strings: chebi_xrefs, the three lineage columns in compound_taxonomy, and native_distribution. secondary_kingdoms in resolved_taxonomy is a list of strings.

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