smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN(CCN(C)C)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161309293	376402577	/nfs/dbraw/zinc/40/25/77/376402577.db2.gz	XRTRKGJTQUJBOV-GFCCVEGCSA-N	0	3	310.402	-0.188	10	70		DBIEHN
NC(=O)NC(=O)CCN1CCC(c2ccnn2CCO)CC1	ZINC000160656311	378296031	/nfs/dbraw/zinc/29/60/31/378296031.db2.gz	GSJVZHBJBQPHEE-UHFFFAOYSA-N	0	3	309.370	-0.360	10	70		DBIEHN
COC(=O)Cn1cc(CCN2CCO[C@H](CN(C)C)C2)nn1	ZINC000160013166	375204318	/nfs/dbraw/zinc/20/43/18/375204318.db2.gz	UODQGVZYWGTVPM-CYBMUJFWSA-N	0	3	311.386	-0.744	10	70		DBIEHN
COCCN(CCN(C)C)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161309402	376402975	/nfs/dbraw/zinc/40/29/75/376402975.db2.gz	XRTRKGJTQUJBOV-LBPRGKRZSA-N	0	3	310.402	-0.188	10	70		DBIEHN
O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CCc2ncnn2C1	ZINC000160939022	376390561	/nfs/dbraw/zinc/39/05/61/376390561.db2.gz	APMCEMXBBQTRKT-STQMWFEESA-N	0	3	322.413	-0.261	10	70		DBIEHN
COC(=O)Cn1cc(CCN2CCC[C@@H](n3cncn3)C2)nn1	ZINC000160006899	533787150	/nfs/dbraw/zinc/78/71/50/533787150.db2.gz	KPGUJUXBHHDMRT-CYBMUJFWSA-N	0	3	319.369	-0.078	10	70		DBIEHN
O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000160938889	376390296	/nfs/dbraw/zinc/39/02/96/376390296.db2.gz	APMCEMXBBQTRKT-OLZOCXBDSA-N	0	3	322.413	-0.261	10	70		DBIEHN
O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000160939147	376390719	/nfs/dbraw/zinc/39/07/19/376390719.db2.gz	APMCEMXBBQTRKT-CHWSQXEVSA-N	0	3	322.413	-0.261	10	70		DBIEHN
COC(=O)Cn1cc(CCN2CCC[C@H](n3cncn3)C2)nn1	ZINC000160006764	533787571	/nfs/dbraw/zinc/78/75/71/533787571.db2.gz	KPGUJUXBHHDMRT-ZDUSSCGKSA-N	0	3	319.369	-0.078	10	70		DBIEHN
COC(=O)Cn1cc(CCN2CCO[C@@H](CN(C)C)C2)nn1	ZINC000160013298	375204527	/nfs/dbraw/zinc/20/45/27/375204527.db2.gz	UODQGVZYWGTVPM-ZDUSSCGKSA-N	0	3	311.386	-0.744	10	70		DBIEHN
Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3)C2=O)cc1	ZINC000160925440	524976552	/nfs/dbraw/zinc/97/65/52/524976552.db2.gz	DRNXVKDQZGERRM-IHRRRGAJSA-N	0	3	303.362	-0.061	10	70		DBIEHN
O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CCc2ncnn2C1	ZINC000160939288	376390055	/nfs/dbraw/zinc/39/00/55/376390055.db2.gz	APMCEMXBBQTRKT-QWHCGFSZSA-N	0	3	322.413	-0.261	10	70		DBIEHN