	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	111466-65-0	99,38	-4,617	434,571	5,2841	6	4	1	-7,5783	0,1442558
	111466-66-1	105,45	-5,027	476,608	5,7687	7	3	1	-2,2139	0,1271441
	111466-67-2	105,45	-5,027	476,608	5,7687	7	3	1	-2,4288	0,1251179
	111468-06-5	106,1	-2,063	411,457	1,5765	8	3	0	6,8688	0,5014776
	111517-68-1	259,03	-4,341	985,229	1,6079	20	5	2	5,6679	0,4085095
	111536-18-6	54,37	-6,046	578,834	12,01	3	1	2	-1,2166	0,0267661
	111536-19-7	54,37	-5,52	538,769	10,813	3	1	2	-2,3378	0,0298956
	111537-53-2	101,15	-3,695	420,052	2,9458	5	5	0	-4,1191	0,3687488
	111554-19-9	80,92	-9,664	464,644	6,454	4	4	1	-14,097	0,1203877
	1115-63-5	100,62	-0,151	133,103	-3,813	5	3	0	-11,987	0,4950104
	111574-76-6	105,45	-3,726	370,356	3,1143	7	3	0	0,13304	0,3493641
	111576-31-9	59,06	-3,955	360,492	3,7912	4	1	0	-1,5584	0,249729
	111602-92-7	99,13	-4,832	506,677	5,7884	7	1	2	-2,2959	0,1225903
	111602-96-1	88,9	-5,01	280,459	7,0724	2	0	1	-12,148	0,2011509
	111602-97-2	88,9	-5,28	294,486	7,5268	2	0	1	-12,148	0,1845246
	111602-98-3	88,9	-5,55	308,513	7,9812	2	0	1	-12,148	0,1708069
	111602-99-4	88,9	-5,82	322,539	8,4356	2	0	1	-12,148	0,1593715
	111603-00-0	88,9	-6,09	336,566	8,89	2	0	1	-12,148	0,1497463
	111603-01-1	88,9	-6,36	350,593	9,3444	2	0	1	-12,148	0,1415801
	111603-02-2	88,9	-6,63	364,62	9,7988	2	0	1	-12,148	0,1345993