smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC[C@@H](C[NH+](CCCC)CCCC)[NH+](CCCC)CCCC	ZINC000100923603	570279305	/nfs/dbraw/zinc/27/93/05/570279305.db2.gz	FBGXRVIRNTXTBB-SANMLTNESA-N	2	2	396.748	7.910	40	30		GKEBLP
C/C(CC(=O)c1ccccc1)=[NH+]\CCCCC/[NH+]=C(\C)CC(=O)c1ccccc1	ZINC000104207926	570299555	/nfs/dbraw/zinc/29/95/55/570299555.db2.gz	FNNLPTYQRNVYRT-CRYYDKFDSA-N	2	2	390.527	5.625	40	30		GKEBLP
C/C(CC(=O)c1ccccc1)=[NH+]/CCCC/[NH+]=C(/C)CC(=O)c1ccccc1	ZINC000017120123	518473453	/nfs/dbraw/zinc/47/34/53/518473453.db2.gz	DEOSFAQXYILCQW-DQIQZUARSA-N	2	2	376.500	5.234	40	30		GKEBLP
CCCCCCCC[C@H](C[NH+](CCCC)CCCC)[NH+](CCCC)CCCC	ZINC000100923605	570279215	/nfs/dbraw/zinc/27/92/15/570279215.db2.gz	FBGXRVIRNTXTBB-AREMUKBSSA-N	2	2	396.748	7.910	40	30		GKEBLP
C/C(CC(=O)c1ccccc1)=[NH+]\CCCCC/[NH+]=C(/C)CC(=O)c1ccccc1	ZINC000101811620	518474618	/nfs/dbraw/zinc/47/46/18/518474618.db2.gz	FNNLPTYQRNVYRT-QRNPONQASA-N	2	2	390.527	5.625	40	30		GKEBLP
C/C(CC(=O)c1ccccc1)=[NH+]/CCCCC/[NH+]=C(/C)CC(=O)c1ccccc1	ZINC000005502773	518473369	/nfs/dbraw/zinc/47/33/69/518473369.db2.gz	FNNLPTYQRNVYRT-AQPNWFMJSA-N	2	2	390.527	5.625	40	30		GKEBLP
CC(C)(C)[NH+]=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl	ZINC000017123164	518550937	/nfs/dbraw/zinc/55/09/37/518550937.db2.gz	ZWDLFJBYZJGDCP-UHFFFAOYSA-N	2	2	398.982	5.161	40	30		GKEBLP
C/C(CC(=O)c1ccccc1)=[NH+]\CCCC/[NH+]=C(\C)CC(=O)c1ccccc1	ZINC000104207955	570299387	/nfs/dbraw/zinc/29/93/87/570299387.db2.gz	DEOSFAQXYILCQW-FQHZWJPGSA-N	2	2	376.500	5.234	40	30		GKEBLP
C/C(CC(=O)c1ccccc1)=[NH+]\CCCC/[NH+]=C(/C)CC(=O)c1ccccc1	ZINC000104207959	570299439	/nfs/dbraw/zinc/29/94/39/570299439.db2.gz	DEOSFAQXYILCQW-GAHATOAQSA-N	2	2	376.500	5.234	40	30		GKEBLP
CC(C)(C)c1cc2oc3c(c2c(/C=[NH+]/CCCn2cc[nH+]c2)c1O)CCCC3	ZINC000005613738	519007859	/nfs/dbraw/zinc/00/78/59/519007859.db2.gz	FAYLLGFCLLZDHO-ZVHZXABRSA-N	2	2	379.504	5.020	40	30		GKEBLP