smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)NCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]C(C)C)ccc1C2=O	ZINC000040972560	563114907	/nfs/dbraw/zinc/11/49/07/563114907.db2.gz	DKNQCGLIKICHPF-UHFFFAOYSA-N	1	3	436.512	2.335	1	10	in-vivo	IECFHO
N[C@H](CCCC[NH3+])C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447278	563153229	/nfs/dbraw/zinc/15/32/29/563153229.db2.gz	VUNLODYYBQTYFP-HXUWFJFHSA-N	1	3	432.524	2.176	1	10		IECFHO
CCCNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CCC)ccc1C2=O	ZINC000040955172	563114583	/nfs/dbraw/zinc/11/45/83/563114583.db2.gz	OBGMWZLARFADCF-UHFFFAOYSA-N	1	3	436.512	2.338	1	10	in-vivo	IECFHO
N[C@@H](CCCC[NH3+])C(=O)NCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447279	563153226	/nfs/dbraw/zinc/15/32/26/563153226.db2.gz	VUNLODYYBQTYFP-FQEVSTJZSA-N	1	3	432.524	2.176	1	10		IECFHO
CC(C)NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)C[NH2+]C(C)C)cccc1C2=O	ZINC000073258887	563171455	/nfs/dbraw/zinc/17/14/55/563171455.db2.gz	PQGXRRCRUOFIPO-UHFFFAOYSA-N	1	3	436.512	2.335	1	10		IECFHO