	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	39707-56-7	34,14	-4,241	312,451	4,4279	2	0	0	-4,9917	0,2642198
	39707-59-0	34,14	-4,074	312,451	4,3496	2	0	0	-2,3328	0,2948052
	39741-91-8	3,24	-0,534	200,038	-0,2705	1	0	0	-1,5308	0,5763238
	3978-11-8	109,49	-2,503	236,226	-2,6502	6	3	0	-11,79	0,471136
	3979-51-9	20,23	-0,855	60,0955	0,4098	1	1	0	-2,6347	0,0680807
	398119-17-0	93,06	-1,628	272,296	0,1798	6	2	0	1,6883	0,8754937
	398119-18-1	66,76	-1,734	214,26	0,1879	4	2	0	-3,582	0,4941793
	398119-19-2	66,76	-1,734	214,26	0,1879	4	2	0	-3,582	0,4941793
	398143-16-3	84,15	-3,598	403,504	1,2251	6	4	0	2,575	0,7568735
	398144-68-8	41,29	-2,931	321,551	4,0721	3	2	0	-11,128	0,3838076
	398144-69-9	44,37	-3,526	351,577	4,3617	4	2	0	-6,7615	0,348425
	39832-30-9	20,23	-6,275	386,661	7,0348	1	1	1	-1,0058	0,1160465
	39832-31-0	20,23	-6,566	400,688	7,7079	1	1	1	-8,4935	0,1376481
	39832-68-3	26,3	-6,685	428,698	7,5194	2	0	1	-0,82392	0,1034773
	39850-89-0	17,07	-2,821	178,274	2,7693	1	0	0	-1,5971	0,5221612
	39877-24-2	463,25	-4,659	1188,41	-5,9628	28	14	3	8,9058	0,3961804
	39895-69-7	3,24	-0,534	200,038	-0,2705	1	0	0	-1,5308	0,5763238
	39895-81-3	20,23	-3,074	165,087	2,1117	1	1	0	-2,2456	0,495086
	39910-94-6	70,06	-0,475	156,137	-1,4202	4	2	0	1,3231	0,5293594
	39946-45-7	46,53	-4,169	346,509	3,4798	3	1	0	1,9099	0,4037733