smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@@H]2[C@@H](C1)[C@@H]1C=C[C@H]2CC1	ZINC000013099038	401796618	/nfs/dbraw/zinc/79/66/18/401796618.db2.gz	JMKKOXFXRSJPNL-ARRBULDWSA-N	2	0	306.494	2.142	40	5	in-vitro	DEBBRP
C[N+]1(CCC[N+]2(C)CCOCC2)C[C@H]2[C@@H](C1)[C@H]1C=C[C@@H]2CC1	ZINC000003954197	401724729	/nfs/dbraw/zinc/72/47/29/401724729.db2.gz	JMKKOXFXRSJPNL-XHNZOXCMSA-N	2	0	306.494	2.142	40	5	in-vitro	DEBBRP