smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)/C(=N/n2c(=O)c3ccccc3nc2-c2ccccc2)C(=O)N1	ZINC000003019174	487470459	/nfs/dbraw/zinc/47/04/59/487470459.db2.gz	TXKHCTUFYDKQJH-UHFFFAOYSA-N	-1	2	361.317	0.634	40	30		FCEBLM
O=C1[N-]C(=O)/C(=N\n2c(=O)c3ccccc3nc2-c2ccccc2)C(=O)N1	ZINC000003019174	487470460	/nfs/dbraw/zinc/47/04/60/487470460.db2.gz	TXKHCTUFYDKQJH-UHFFFAOYSA-N	-1	2	361.317	0.634	40	30		FCEBLM
C[C@@H](NC(=O)CC1SC(NN=Cc2ccccc2O)=NC1=O)C(=O)[O-]	ZINC000006931842	533092316	/nfs/dbraw/zinc/09/23/16/533092316.db2.gz	FFYKEAGHQDKEIM-UNMOCEHJSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@@H](NC(=O)C[C@H]1SC(NN=Cc2ccccc2O)=NC1=O)C(=O)[O-]	ZINC000006931842	533092329	/nfs/dbraw/zinc/09/23/29/533092329.db2.gz	FFYKEAGHQDKEIM-UNMOCEHJSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@H](NC(=O)CC1SC(NN=Cc2ccccc2O)=NC1=O)C(=O)[O-]	ZINC000006929277	534205282	/nfs/dbraw/zinc/20/52/82/534205282.db2.gz	FFYKEAGHQDKEIM-OZQIQIQNSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@H](NC(=O)C[C@H]1SC(NN=Cc2ccccc2O)=NC1=O)C(=O)[O-]	ZINC000006929277	534205304	/nfs/dbraw/zinc/20/53/04/534205304.db2.gz	FFYKEAGHQDKEIM-OZQIQIQNSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@H](NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)[O-]	ZINC000016713261	211168947	/nfs/dbraw/zinc/16/89/47/211168947.db2.gz	FFYKEAGHQDKEIM-VMNJHTTHSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@H](NC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)[O-]	ZINC000016713261	211168951	/nfs/dbraw/zinc/16/89/51/211168951.db2.gz	FFYKEAGHQDKEIM-VMNJHTTHSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@@H](NC(=O)C[C@@H]1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)[O-]	ZINC000016713259	220192056	/nfs/dbraw/zinc/19/20/56/220192056.db2.gz	FFYKEAGHQDKEIM-YVPOMQJGSA-N	-1	2	364.383	0.293	40	30		FCEBLM
C[C@@H](NC(=O)CC1S/C(=N/N=C/c2ccccc2O)NC1=O)C(=O)[O-]	ZINC000016713259	220192060	/nfs/dbraw/zinc/19/20/60/220192060.db2.gz	FFYKEAGHQDKEIM-YVPOMQJGSA-N	-1	2	364.383	0.293	40	30		FCEBLM