smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nnc(CCC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(=O)[nH]1	ZINC000218099768	241297566	/nfs/dbraw/zinc/29/75/66/241297566.db2.gz	AGMXVJJOQMSKQM-BHDSKKPTSA-N	0	2	344.375	-0.297	50	70		EBIALN
CSCC[C@@H](CO)NC(=O)CCc1nn2c(nc(C)cc2=O)[nH]1	ZINC000218569693	379727312	/nfs/dbraw/zinc/72/73/12/379727312.db2.gz	OKWDMZXEUAZFEZ-JTQLQIEISA-N	0	2	339.421	-0.111	50	70		EBIALN
C[NH+](C)[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)OCO2	ZINC000218078567	241296029	/nfs/dbraw/zinc/29/60/29/241296029.db2.gz	HRAFKRSCQAIZDV-ZDUSSCGKSA-N	0	2	333.348	-0.212	50	70		EBIALN
Cc1cc(=O)n2nc(CC(=O)NCCSc3nnnn3C)[nH]c2n1	ZINC000217713074	241271121	/nfs/dbraw/zinc/27/11/21/241271121.db2.gz	REPQUBBTMXTYFG-UHFFFAOYSA-N	0	2	349.380	-0.887	50	70		EBIALN
Nc1nnc(CCC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(=O)[nH]1	ZINC000218674310	241337335	/nfs/dbraw/zinc/33/73/35/241337335.db2.gz	AGMXVJJOQMSKQM-RBZYPMLTSA-N	0	2	344.375	-0.297	50	70		EBIALN
Nc1nnc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(=O)[nH]1	ZINC000218674229	241337492	/nfs/dbraw/zinc/33/74/92/241337492.db2.gz	AGMXVJJOQMSKQM-ISTVAULSSA-N	0	2	344.375	-0.297	50	70		EBIALN
Nc1nnc(CCC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(=O)[nH]1	ZINC000218099699	241298121	/nfs/dbraw/zinc/29/81/21/241298121.db2.gz	AGMXVJJOQMSKQM-GPCCPHFNSA-N	0	2	344.375	-0.297	50	70		EBIALN
C[NH+](C)[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)OCO2	ZINC000218078496	241295709	/nfs/dbraw/zinc/29/57/09/241295709.db2.gz	HRAFKRSCQAIZDV-CYBMUJFWSA-N	0	2	333.348	-0.212	50	70		EBIALN