smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	ZINC000100799970	717144196	/nfs/dbraw/zinc/14/41/96/717144196.db2.gz	DDPVKNAANMEFRI-UHFFFAOYSA-N	2	0	350.507	0.282	1	5		FCBFRP
[NH3+]CCNc1ccc2c(C[NH2+]CCO)nn3c2c1c(=O)c1c(O)cccc13	ZINC000003800755	204110498	/nfs/dbraw/zinc/11/04/98/204110498.db2.gz	HLYQEHUIUQCKRO-UHFFFAOYSA-N	2	0	367.409	0.597	1	5		FCBFRP
[NH3+]CCNCc1nn2c3c1ccc(NCC[NH3+])c3c(=O)c1ccccc12	ZINC000101153660	222263321	/nfs/dbraw/zinc/26/33/21/222263321.db2.gz	VMWYKJAFDYFISH-UHFFFAOYSA-N	2	0	350.426	0.858	1	5		FCBFRP
O=C(CCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	ZINC000029468423	717119188	/nfs/dbraw/zinc/11/91/88/717119188.db2.gz	USAWMAKHBUFYNM-UHFFFAOYSA-N	2	0	364.534	0.672	1	5		FCBFRP