smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCN(CCC#N)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[n-]1	ZINC000020157062	526454818	/nfs/dbraw/zinc/45/48/18/526454818.db2.gz	MQZCWCDXQNHLFQ-UHFFFAOYSA-N	-1	1	346.376	-0.024	40	30		EBEBMM
N#CCCN(CCC#N)C(=O)CSc1nc2c([n-]1)nc(N)[nH]c2=O	ZINC000020157062	526454821	/nfs/dbraw/zinc/45/48/21/526454821.db2.gz	MQZCWCDXQNHLFQ-UHFFFAOYSA-N	-1	1	346.376	-0.024	40	30		EBEBMM
N#Cc1c(O)cc(CC(=O)NCCN2C(=O)C=CC2=O)c([O-])c1C#N	ZINC000022057099	212273809	/nfs/dbraw/zinc/27/38/09/212273809.db2.gz	XOGMKERMQVKVPW-UHFFFAOYSA-N	-1	1	340.295	-0.575	40	30	in-vitro	EBEBMM
N#Cc1nn(-c2ccccc2-c2n[nH]c(=S)[nH]c2=O)c(=O)[n-]c1=O	ZINC000016450564	381223918	/nfs/dbraw/zinc/22/39/18/381223918.db2.gz	GOLRJASEGDNHPM-UHFFFAOYSA-N	-1	1	341.312	-0.400	40	30		EBEBMM
CCOC(=O)C(=O)C(=Cn1c([O-])cc(=O)[nH]c1=S)C(=O)OCC	ZINC000016958370	375996990	/nfs/dbraw/zinc/99/69/90/375996990.db2.gz	PMMMDWHZOQYWLX-SREVYHEPSA-N	-1	1	342.329	-0.801	40	30		EBEBMM