Index No.	Chemical Formula	Compound Name	   CAS #	Chemical Family	"Vcosmo, A3"	COSMO Segments	Pre-opt tool	Temp. (K)	ln Pvap
1	        C1H1                      Reline	   01-01-1        CHCL         110.455179	 100              DMOL           500
2	        C2H2                      ChCl_Gly	   02-02-2        CHCL         149.065109	 200              DMOL           500
3	        C3H3                      ChCl_2Gly 	   03-03-3        CHCL         123.0078098       300              DMOL           500
4	        C4H4                      ChCl_6MEA        04-04-4        CHCL         100.2149922       400              DMOL           500
5               C5H5                      L_Gly            05-05-5        L-PROLINE    149.065109        500              DMOL           500
6               C6H6                      L_2Gly_PDO       06-06-6        L-PROLINE    117.4256288       600              DMOL           500
7	        CO2	                  CO2              07-07-7        CARBON       47.87211867	 56               DMOL           500
8	         N2	                  N2               08-08-8        NITROGEN     37.14502509       46	          DMOL           500