	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	89002-20-0	9,23	-4,664	288,473	5,0292	1	0	1	-5,8869	0,2853825
	890026-04-7	57,53	-5,471	430,67	6,4466	3	2	1	-10,869	0,0838969
	890028-30-5	46,53	-5,345	342,477	6,8024	3	1	1	-1,2071	0,2320339
	890028-31-6	46,53	-5,345	342,477	6,8024	3	1	1	-1,2071	0,1392203
	890041-67-5	63,6	-5,389	464,644	6,3399	4	1	1	1,1358	0,2986901
	890041-68-6	63,6	-5,389	464,644	6,3399	4	1	1	1,1358	0,2986901
	890041-69-7	51,21	-3,765	316,439	3,514	3	0	0	-6,7565	0,3065172
	890041-70-0	51,21	-3,765	316,439	3,514	3	0	0	-6,7565	0,3065172
	890041-71-1	77,51	-5,32	494,669	6,3729	5	0	1	-1,7116	0,0671653
	890041-72-2	71,44	-4,28	398,541	5,2963	4	1	1	-1,2938	0,3210387
	890153-95-4	99,38	-4,995	448,598	5,6088	6	4	1	-2,0153	0,1403485
	89022-39-9	37,3	-7,791	450,789	12,172	2	1	1	-26,101	0,1087397
	89026-28-8	101,15	-4,857	466,7	4,0436	5	5	0	-2,9833	0,2770087
	89044-36-0	43,37	-2,189	240,257	1,9942	3	0	0	-0,3135	0,6603559
	89064-34-6	40,46	-5,276	398,628	6,7615	2	2	1	-1,2787	0,2212875
	89064-35-7	40,46	-5,276	398,628	6,7615	2	2	1	-1,2787	0,2212875
	89072-27-5	1793,5	-6,21	3804,03	-34,423	109	60	3	-9,9744	0,1537198
	891511-22-1	129,51	-4,056	526,732	3,0214	7	3	1	0,8002	0,484765
	89188-16-9	66,76	-2,933	310,432	2,4116	4	2	0	-2,6848	0,4619279
	89188-17-0	37,3	-6,643	406,692	10,32	2	1	1	-13,97	0,128006