	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	547-98-8	97,99	-5,18	450,657	4,3065	5	4	0	-1,8847	0,2820327
	54826-89-0	96,22	-3,272	300,265	2,2115	6	3	0	0,20037	0,6667348
	54848-29-2	20,23	-6,011	384,645	6,9303	1	1	1	1,2386	0,2280123
	54854-92-1	119,36	-4,522	530,655	3,4424	8	2	1	-1,2205	0,3193306
	54869-11-3	13,14	-5,227	292,505	7,2071	1	0	1	-4,0561	0,1939746
	548773-66-6	56,33	-5,307	369,217	3,0213	4	2	0	0,60675	0,503286
	54899-94-4	17,07	-4,132	429,771	4,1023	1	0	0	-16,489	0,0401199
	54899-95-5	17,07	-3,437	350,875	3,402	1	0	0	-20,159	0,0503288
	54899-96-6	17,07	-3,693	350,875	3,5691	1	0	0	-22,169	0,0485692
	54899-97-7	17,07	-3,274	397,871	3,8215	1	0	0	-19,05	0,0780964
	54911-84-1	52,6	-0,996	156,137	-0,3649	4	0	0	-9,3114	0,2354329
	5492-30-8	20,23	-4,633	296,537	7,4212	1	1	1	-3,7661	0,2111223
	54928-01-7	0	-5,23	398,609	5,9043	0	0	1	-15,37	0,0474093
	54928-03-9	9,23	-3,286	220,355	3,4965	1	0	0	-8,0252	0,1981884
	54934-56-4	26,3	-4,797	298,509	7,1631	2	0	1	-25,352	0,205061
	549494-83-9	29,1	-7,408	363,543	6,8653	2	1	1	-11,503	0,140974
	549502-97-8	72,83	-3,536	344,406	2,9345	5	1	0	-18	0,3989344
	549503-63-1	63,6	-3,498	332,438	1,9238	4	1	0	-0,38267	0,5877831
	549520-74-3	26,03	-6,783	379,586	9,1854	2	0	1	-9,2007	0,1313039
	549521-28-0	130,55	-2,272	326,311	-0,393	8	4	0	3,3962	0,8988278