	CAS number	Polar Surface Area	calculated LogS	Molweight	calculated LogP	H-Acceptors	H-Donors	Ro5 violations	Druglikeness	DrugScore
	96820-14-3	185,49	-10,237	750,398	5,4527	15	0	3	-1,2321	0,0896053
	96820-16-5	194,58	-9,201	562,438	5,1088	13	5	3	-1,8762	0,1118267
	96829-60-6	9,23	-4,229	286,457	4,9117	1	0	0	-3,2214	0,1924369
	96829-61-7	18,46	-4,171	316,483	4,9891	2	0	0	-5,5161	0,182375
	96829-62-8	29,46	-3,83	302,456	4,0596	2	1	0	-2,4692	0,2346093
	96845-19-1	94,23	-4,854	498,058	4,8133	7	1	0	-17,465	0,0686991
	96845-20-4	75,63	-4,548	440,022	5,3453	5	2	1	-17,4	0,073184
	96845-21-5	55,4	-4,947	424,023	6,1974	4	1	1	-19,265	0,0613263
	96845-55-5	61,35	-5,924	680,419	5,7786	5	1	2	0,87494	0,0714608
	96853-15-5	4,93	-6,127	509,119	5,3804	1	0	2	2,3212	0,3077684
	96886-12-3	37,3	-5,794	398,628	6,3321	2	1	1	-17,313	0,0842388
	96920-28-4	18,46	-7,267	515,821	5,886	2	0	2	-3,8293	0,0471743
	96928-49-3	184,42	-4,046	765,038	7,1026	10	4	2	0,96286	0,2139037
	96960-92-8	38,69	-4,177	330,55	6,1801	3	1	1	-25,063	0,2465113
	96964-91-9	125,43	-6,175	618,805	5,6379	9	1	2	-0,52082	0,1022055
	96999-35-8	82,06	-4,115	392,49	2,6829	6	1	0	-2,5677	0,3897215
	96999-36-9	75,99	-3,705	350,453	2,1983	5	2	0	-2,9778	0,4220908
	97042-20-1	82,06	-4,655	420,544	3,5917	6	1	0	-6,5426	0,3081385
	97049-74-6	83,07	-6,143	486,515	4,1544	9	0	0	-1,9113	0,2293684
	97068-30-9	205,69	-6,741	653,635	1,8622	14	5	2	3,369	0,1886636