smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCC(C)(C(=O)[O-])C(=O)[O-]	142288687	1169206307	/nfs/dbraw/zinc/20/63/07/1169206307.db2.gz	WQWYHBWDHFVSKN-UHFFFAOYSA-N	-2	0	172.180	1.128	50	30		ADEARL
C#Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1	39419323	166041914	/nfs/dbraw/zinc/04/19/14/166041914.db2.gz	GWDWBZQHNHBODA-UHFFFAOYSA-N	-2	0	190.154	1.064	50	30		ADEARL
C=C(C)CCOP(=O)([O-])[O-]	2557111	166117189	/nfs/dbraw/zinc/11/71/89/166117189.db2.gz	QMZRXYCCCYYMHF-UHFFFAOYSA-N	-2	0	166.113	1.062	50	30	in-vitro	ADEARL
C=CC/C(C(=O)[O-])=C(\CC=C)C(=O)[O-]	71625287	166162043	/nfs/dbraw/zinc/16/20/43/166162043.db2.gz	GYKADMDAFXNZNR-FPLPWBNLSA-N	-2	0	196.202	1.604	50	30		ADEARL
C=CCC(CCC)(C(=O)[O-])C(=O)[O-]	71774093	166164489	/nfs/dbraw/zinc/16/44/89/166164489.db2.gz	CRYLXRKXSREUEA-UHFFFAOYSA-N	-2	0	186.207	1.518	50	30		ADEARL
O=P([O-])([O-])OC#Cc1ccccc1	3181745	342981822	/nfs/dbraw/zinc/98/18/22/342981822.db2.gz	GIOIQGOQVRDIDB-UHFFFAOYSA-N	-2	0	198.114	1.105	50	30		ADEARL
O=[N+]([O-])c1cccc(/C=N/[O-])c1[O-]	35191102	351449491	/nfs/dbraw/zinc/44/94/91/351449491.db2.gz	MTLXRYAXTYRUHQ-XBXARRHUSA-N	-2	0	182.135	1.109	50	30		ADEARL
C#Cc1cc(C(=O)[O-])cc(C(=O)[O-])c1	38846508	518357915	/nfs/dbraw/zinc/35/79/15/518357915.db2.gz	XKEUZQRIANAGPB-UHFFFAOYSA-N	-2	0	190.154	1.064	50	30		ADEARL