smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])ccc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1	ZINC000541798341	567872803	/nfs/dbraw/zinc/87/28/03/567872803.db2.gz	CZQWONXBWLCRHM-KAMYIIQDSA-N	-1	0	368.414	4.918	20	5		FJBDRM
CSc1ccc(Cl)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000541823580	567913965	/nfs/dbraw/zinc/91/39/65/567913965.db2.gz	ZHRGTYNEDNPOLD-UHFFFAOYSA-N	-1	0	373.217	4.581	20	5		FJBDRM
Cc1cc([N+](=O)[O-])ccc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1	ZINC000541798342	567868187	/nfs/dbraw/zinc/86/81/87/567868187.db2.gz	CZQWONXBWLCRHM-SDNWHVSQSA-N	-1	0	368.414	4.918	20	5		FJBDRM
O=C(Nc1ccccc1SC1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436632856	568103971	/nfs/dbraw/zinc/10/39/71/568103971.db2.gz	DLDBODUKCCCJGY-UHFFFAOYSA-N	-1	0	358.419	4.587	20	5		FJBDRM
Cc1cc([N+](=O)[O-])ccc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1	ZINC000541801388	567860713	/nfs/dbraw/zinc/86/07/13/567860713.db2.gz	PVGQOXNVHCYDNZ-LCYFTJDESA-N	-1	0	354.387	4.528	20	5		FJBDRM
CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000568300971	568030988	/nfs/dbraw/zinc/03/09/88/568030988.db2.gz	UZKYCEWVIJYCSJ-UHFFFAOYSA-N	-1	0	355.221	4.632	20	5		FJBDRM
CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000007053903	207185375	/nfs/dbraw/zinc/18/53/75/207185375.db2.gz	ZVYDWDNLRKIBIG-UHFFFAOYSA-N	-1	0	362.451	4.642	20	5		FJBDRM