smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](CCC[NH3+])Cc1c2ccccc2cc2ccccc21	ZINC000021994734	171347224	/nfs/dbraw/zinc/34/72/24/171347224.db2.gz	IQEIPNQGUAMOCC-UHFFFAOYSA-N	2	0	292.426	4.164	1	5		CIBFRP
C[NH+](C)Cc1c2ccccc2c(C[NH+](C)C)c2ccccc21	ZINC000005524972	560202383	/nfs/dbraw/zinc/20/23/83/560202383.db2.gz	ADZLKYIUIDQSBV-UHFFFAOYSA-N	2	0	292.426	4.116	1	5	in-vitro	CIBFRP
CC[NH+](CC)CCNc1cc[nH+]c2ccc3ccccc3c12	ZINC000045194829	175326828	/nfs/dbraw/zinc/32/68/28/175326828.db2.gz	FQZSUBCRKHDTNL-UHFFFAOYSA-N	2	0	293.414	4.142	1	5		CIBFRP