smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)C(=[NH+]C2CCCCC2)C(C)(C)C1=[NH+]C1CCCCC1	ZINC000001718066	563293343	/nfs/dbraw/zinc/29/33/43/563293343.db2.gz	HNLKPFJQXCHRAT-UHFFFAOYSA-N	2	2	302.506	5.600	40	30		DKEBLP
C[C@@H](C/C=[NH+]\CC/[NH+]=C/C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000022796498	182334926	/nfs/dbraw/zinc/33/49/26/182334926.db2.gz	XPDSARUMAVQAKY-KBMCMPRBSA-N	2	2	308.554	6.053	40	30		DKEBLP
CCCCCCCCCC[C@@H](C[NH+]1CCCC1)[NH+]1CCCC1	ZINC000100933374	563554733	/nfs/dbraw/zinc/55/47/33/563554733.db2.gz	SSQWWINRSYZEQA-FQEVSTJZSA-N	2	2	308.554	5.077	40	30		DKEBLP
CCCCCCCCCC[C@H](C[NH+]1CCCC1)[NH+]1CCCC1	ZINC000100933375	563554862	/nfs/dbraw/zinc/55/48/62/563554862.db2.gz	SSQWWINRSYZEQA-HXUWFJFHSA-N	2	2	308.554	5.077	40	30		DKEBLP
C[C@@H](C/C=[NH+]\CC/[NH+]=C\C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259726	563563706	/nfs/dbraw/zinc/56/37/06/563563706.db2.gz	XPDSARUMAVQAKY-FNZAMBHKSA-N	2	2	308.554	6.053	40	30		DKEBLP
C[C@@H](C/C=[NH+]/CC/[NH+]=C\C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259732	563563895	/nfs/dbraw/zinc/56/38/95/563563895.db2.gz	XPDSARUMAVQAKY-CVNJYVSTSA-N	2	2	308.554	6.053	40	30		DKEBLP
C[C@@H](C/C=[NH+]/CC/[NH+]=C/C[C@@H](C)CC(C)(C)C)CC(C)(C)C	ZINC000104259739	563563855	/nfs/dbraw/zinc/56/38/55/563563855.db2.gz	XPDSARUMAVQAKY-MECGADHSSA-N	2	2	308.554	6.053	40	30		DKEBLP