	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	89837-98-9	77,76	-4,706	430,626	4,4357	4	3	0	-2,1105	0,1089668
	89837-99-0	77,76	-4,706	430,626	4,4357	4	3	0	-0,25066	0,2356287
	89838-00-6	37,3	-7,099	410,724	10,825	2	1	1	-11,172	0,1213187
	89846-17-3	187,04	1,495	274,201	-5,3225	10	5	0	-0,16936	0,4233549
	89886-42-0	57,53	-3,696	294,433	5,1929	3	2	1	-16,659	0,3115536
	89896-73-1	17,07	-1,814	112,171	1,858	1	0	0	-8,802	0,2866425
	89913-50-8	60,44	-2,993	290,358	3,7941	4	0	0	-1,5197	0,2835272
	89919-57-3	77,76	-1,169	182,174	0,2297	4	3	0	-0,6215	0,6575784
	89926-70-5	86,99	-4,667	458,636	6,8932	5	3	1	-1,8765	0,1232775
	89955-50-0	20,23	-6,603	426,726	8,3751	1	1	1	-7,5536	0,1287282
	89999-14-4	142,5	-3,872	538,975	1,7729	10	1	1	-1,2681	0,0471253
	89999-15-5	142,5	-3,778	538,975	1,9361	10	1	1	-0,38778	0,0546043
	9002-69-1	138,45	0,564	196,154	-3,4954	7	6	1	2,049	0,9290625
	9002-96-4	82,06	-7,728	574,84	9,5162	6	1	2	-4,7184	0,0314006
	90038-24-7	20,23	-6,382	400,688	7,528	1	1	1	-1,8899	0,1610986
	90042-98-1	186,12	-2,555	540,56	0,041	12	4	2	4,9313	0,6581108
	90042-99-2	160,96	-4,409	601,043	1,656	12	1	2	-0,22092	0,0464891
	90043-00-8	160,96	-5,579	663,114	3,0998	12	1	2	-0,22092	0,0334283
	90052-60-1	0	-3,377	232,753	4,3588	0	0	0	0,41587	0,5965752
	90052-61-2	0	-3,519	277,204	4,4898	0	0	0	-5,1576	0,3587272