	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	838862-37-6	66,76	-2,368	262,304	1,1722	4	2	0	-0,75586	0,6136368
	838862-38-7	66,76	-2,368	262,304	1,1722	4	2	0	-0,75586	0,6136368
	83903-58-6	539,13	-13,184	1182,86	4,8733	31	23	3	-2,2054	0,105288
	83903-59-7	489,44	-11,479	1058,77	4,1691	28	21	3	-2,2054	0,1168812
	83903-60-0	369,83	-8,365	794,581	3,1064	21	16	3	-2,2054	0,1364697
	83930-33-0	2180,3	-13,093	4869,51	-26,485	129	71	3	4,6327	0,2488717
	83952-40-3	57,53	-3,78	318,455	5,5973	3	2	1	-10,209	0,2848843
	839731-97-4	29,46	-7,459	516,807	13,2	2	1	2	-1,1544	0,1212099
	83995-04-4	48,67	-5,139	396,525	4,4608	4	0	0	-1,6844	0,306894
	83995-05-5	46,17	-3,997	341,493	3,8035	3	1	0	-0,18527	0,4161672
	83995-06-6	46,17	-3,997	341,493	3,8035	3	1	0	0,15776	0,5508186
	83997-22-2	20,23	-6,405	412,699	7,9911	1	1	1	-6,2842	0,0820089
	84002-60-8	17,07	-3,37	218,339	4,9716	1	0	0	-7,2235	0,340464
	84014-68-6	20,23	-3,292	222,37	3,8869	1	1	0	-0,52626	0,5452423
	84025-32-1	80,67	-5,387	508,696	7,5568	5	1	2	1,1375	0,2437086
	84028-99-9	64,63	-1,331	217,264	0,2449	5	1	0	-2,5808	0,5177249
	84093-63-0	40,46	-3,702	306,488	6,5529	2	2	1	-6,4685	0,2006818
	84093-65-2	72,83	-4,123	406,561	6,5003	5	1	1	-5,6839	0,1331597
	84093-66-3	66,76	-3,713	364,524	6,0157	4	2	1	-5,2128	0,2083457
	84119-17-5	9,23	-4,571	331,68	4,5357	1	0	0	-7,1023	0,0395567