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@H]1SC(O)=C(C)C1=O	101391698	573863471	/nfs/dbraw/zinc/86/34/71/573863471.db2.gz	MIKKIHBNFIGEBB-RXMQYKEDSA-N	0	2	158.222	1.870	1	30		ADEFLN
C#CC[C@@]1(C)SC(=O)C(C)=C1O	13588800	166031983	/nfs/dbraw/zinc/03/19/83/166031983.db2.gz	XSSMWLARHYHZLA-SECBINFHSA-N	0	2	182.244	1.874	1	30		ADEFLN
C#CC[C@]1(C)SC(=O)C(C)=C1O	13588801	166034292	/nfs/dbraw/zinc/03/42/92/166034292.db2.gz	XSSMWLARHYHZLA-VIFPVBQESA-N	0	2	182.244	1.874	1	30		ADEFLN
C=C[C@]1(C)SC(=O)C=C1O	101124268	166221997	/nfs/dbraw/zinc/22/19/97/166221997.db2.gz	UVABYLYXKLNBDK-ZETCQYMHSA-N	0	2	156.206	1.646	1	30		ADEFLN
CC[C@@H]1SC(O)=C(C)C1=O	101391701	167573165	/nfs/dbraw/zinc/57/31/65/167573165.db2.gz	MIKKIHBNFIGEBB-YFKPBYRVSA-N	0	2	158.222	1.870	1	30		ADEFLN
COC/C(=N/O)c1ccc(OC)cc1	72180406	168142130	/nfs/dbraw/zinc/14/21/30/168142130.db2.gz	QLBNZUUHTMFNCP-KHPPLWFESA-N	0	2	195.218	1.520	1	30		ADEFLN
C=C[C@@]1(C)SC(=O)C=C1O	101453899	171146066	/nfs/dbraw/zinc/14/60/66/171146066.db2.gz	UVABYLYXKLNBDK-SSDOTTSWSA-N	0	2	156.206	1.646	1	30		ADEFLN