	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	309965-94-4	55,76	-4,366	338,486	5,6993	4	1	1	-4,2255	0,1570069
	3102-57-6	69,56	-4,045	341,534	5,0355	4	3	1	-21,043	0,3001345
	310396-69-1	63,16	-5,703	630,174	4,5814	6	1	1	4,7344	0,311631
	310396-70-4	71,95	-6,065	616,147	4,3149	6	2	1	2,8047	0,3044954
	3105-95-1	49,33	-0,978	129,158	-2,2705	3	2	0	-2,7231	0,522922
	31063-73-7	40,46	-8,41	566,867	12,054	2	2	2	-3,38	0,0873186
	31089-49-3	20,23	-3,767	218,682	3,7358	1	1	0	-2,0352	0,4330708
	31105-79-0	55,76	-3,165	264,32	3,4303	4	1	0	-8,2553	0,0714908
	31105-82-5	215,83	-2,209	494,404	-0,4169	13	8	2	-3,4331	0,378912
	31110-56-2	212,36	-6,03	660,765	3,7116	12	8	3	-0,026585	0,236975
	31152-45-1	37,3	-4,407	304,472	6,8713	2	1	1	-21,49	0,2227458
	31152-46-2	37,3	-6,171	366,627	9,4455	2	1	1	-21,994	0,1432477
	31159-36-1	155,14	-3,267	446,407	1,2031	10	5	0	2,4571	0,4363712
	31165-13-6	34,25	-2,177	177,202	1,559	3	1	0	-0,67279	0,6335681
	31190-20-2	57,53	-4,566	462,671	8,3006	3	2	1	1,7787	0,3107113
	3119-93-5	33,17	-1,892	178,278	2,3995	1	0	0	1,6768	0,8614111
	3120-04-5	37,38	-2,198	187,197	1,183	3	0	0	-1,2538	0,580433
	31220-44-7	52,82	-6,266	415,659	7,0955	3	2	1	-1,9778	0,16447
	312322-94-4	295,07	-2,474	668,79	-3,6705	17	11	3	7,3581	0,2063569
	3123-73-7	72,83	-8,533	594,958	12,905	5	1	2	-29,867	0,0798846