smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000599175962	1074572838	/nfs/dbraw/zinc/57/28/38/1074572838.db2.gz	LEUWXVKSSKAUOP-ZIAGYGMSSA-N	2	1	395.464	-1.506	20	5		GABDMP
Cc1nc(NCC[NH+]2CC[C@@H](O)C2)nc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000599175962	1074572833	/nfs/dbraw/zinc/57/28/33/1074572833.db2.gz	LEUWXVKSSKAUOP-ZIAGYGMSSA-N	2	1	395.464	-1.506	20	5		GABDMP
Cc1nc(NCC[N@H+]2CC[C@@H](O)C2)nc(NCC[NH+]2CC[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000599175962	1074572828	/nfs/dbraw/zinc/57/28/28/1074572828.db2.gz	LEUWXVKSSKAUOP-ZIAGYGMSSA-N	2	1	395.464	-1.506	20	5		GABDMP
Cc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-]	ZINC000599199450	1074572958	/nfs/dbraw/zinc/57/29/58/1074572958.db2.gz	LEUWXVKSSKAUOP-KBPBESRZSA-N	2	1	395.464	-1.506	20	5		GABDMP
Cc1nc(NCC[NH+]2CC[C@H](O)C2)nc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-]	ZINC000599199450	1074572949	/nfs/dbraw/zinc/57/29/49/1074572949.db2.gz	LEUWXVKSSKAUOP-KBPBESRZSA-N	2	1	395.464	-1.506	20	5		GABDMP
Cc1nc(NCC[N@H+]2CC[C@H](O)C2)nc(NCC[NH+]2CC[C@H](O)C2)c1[N+](=O)[O-]	ZINC000599199450	1074572944	/nfs/dbraw/zinc/57/29/44/1074572944.db2.gz	LEUWXVKSSKAUOP-KBPBESRZSA-N	2	1	395.464	-1.506	20	5		GABDMP