	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	85337-13-9	66,76	-4,797	416,6	3,905	4	2	0	-7,0308	0,2937499
	85337-14-0	66,76	-4,833	416,6	3,6768	4	2	0	-7,0992	0,2987856
	85337-15-1	72,83	-5,243	458,636	4,1614	5	1	0	-3,3379	0,1537544
	85344-76-9	46,51	-4,513	326,434	5,5575	3	1	1	-1,7898	0,2981632
	85354-71-8	75,99	-5,075	460,652	4,4344	5	2	0	-5,3793	0,2461279
	85356-02-1	61,83	-3,82	336,426	3,0071	5	0	0	-4,4326	0,3938041
	85356-03-2	44,76	-3,299	308,416	3,4441	4	0	0	-7,1429	0,4023276
	853885-46-8	82,55	-2,819	333,426	1,9889	5	3	0	0,41679	0,6985336
	853885-48-0	73,32	-2,923	317,427	3,6445	4	3	0	1,2323	0,4284337
	853885-50-4	45,39	-3,404	299,412	4,2309	3	1	0	-0,2939	0,5272164
	85404-63-3	20,23	-3,195	220,355	3,5079	1	1	0	-3,8194	0,4238245
	85404-64-4	46,51	-4,528	326,434	5,7833	3	1	1	-3,358	0,2590588
	85407-33-6	78,9	-2,183	258,269	1,1148	6	0	0	-3,2393	0,48614
	854203-78-4	69,67	-5,697	508,696	6,7476	5	0	2	0,87282	0,2403819
	854215-33-1	193,36	-2,912	564,734	0,4186	10	7	2	-6,9802	0,3093394
	85431-47-6	0	-3,662	204,356	4,6223	0	0	0	-20,356	0,351941
	85432-35-5	66,48	-2,203	226,275	1,1882	5	1	0	4,5838	0,3379107
	85443-36-3	66,76	-3,436	334,454	3,9214	4	2	0	-2,2214	0,2468361
	85443-37-4	72,83	-3,846	376,491	4,406	5	1	0	-1,8002	0,2249212
	85452-78-4	39,58	-3,197	168,199	2,0352	2	1	0	-4,4284	0,4543811