smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC(=O)NCCNC(=O)CCC[NH3+]	ZINC000013444064	181372983	/nfs/dbraw/zinc/37/29/83/181372983.db2.gz	ODBGUYJHZUAXDI-UHFFFAOYSA-N	2	0	230.312	-1.303	1	0		BAAFRP
[NH3+]CCC[NH2+]C[C@@H](O)[C@@H](O)C[NH2+]CCC[NH3+]	ZINC000064448086	181383396	/nfs/dbraw/zinc/38/33/96/181383396.db2.gz	QKPNWYSPAZUHJP-AOOOYVTPSA-N	4	0	234.344	-2.415	1	0		BAAFRP
C[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1CCNC(N)=[NH2+]	ZINC000064539491	173205622	/nfs/dbraw/zinc/20/56/22/173205622.db2.gz	YAXBDFGVNZOPAX-FKSUSPILSA-N	2	0	232.284	-2.744	1	0		BAAFRP
NC(=[NH2+])Nc1nc(N)nc2c1ncn2CC[NH3+]	ZINC000095592127	181191604	/nfs/dbraw/zinc/19/16/04/181191604.db2.gz	LLXFRSWPKMGMGX-UHFFFAOYSA-N	2	0	235.255	-1.327	1	0		BAAFRP