smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCO[C@H](CNC(=O)NC2(C)CCC2)C1	ZINC000160830552	349330142	/nfs/dbraw/zinc/33/01/42/349330142.db2.gz	WDTSQEHQJSGJLM-SNVBAGLBSA-N	1	2	241.335	0.559	10	70		BCIELO
C[N@H+]1CCO[C@H](CNC(=O)NC2(C)CCC2)C1	ZINC000160830552	349330144	/nfs/dbraw/zinc/33/01/44/349330144.db2.gz	WDTSQEHQJSGJLM-SNVBAGLBSA-N	1	2	241.335	0.559	10	70		BCIELO
Cn1cnnc1C[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160901199	359003299	/nfs/dbraw/zinc/00/32/99/359003299.db2.gz	UNNZDHATSHRJQC-UHFFFAOYSA-N	1	2	246.318	0.918	10	70		BCIELO
COC(=O)[C@H](C)[N@@H+](C)CC(OC)OC	ZINC000218166122	592152716	/nfs/dbraw/zinc/15/27/16/592152716.db2.gz	DGBODHYQJZCBKI-ZETCQYMHSA-N	1	2	205.254	0.099	10	70		BCIELO
COC(=O)[C@H](C)[N@H+](C)CC(OC)OC	ZINC000218166122	592152718	/nfs/dbraw/zinc/15/27/18/592152718.db2.gz	DGBODHYQJZCBKI-ZETCQYMHSA-N	1	2	205.254	0.099	10	70		BCIELO
O[C@@H]1CCC[C@H]1[N@@H+]1CCn2ccnc2C1	ZINC000218413467	411291609	/nfs/dbraw/zinc/29/16/09/411291609.db2.gz	HLQAPFLFEQGFEG-NXEZZACHSA-N	1	2	207.277	0.612	10	70		BCIELO
O[C@@H]1CCC[C@H]1[N@H+]1CCn2ccnc2C1	ZINC000218413467	411291610	/nfs/dbraw/zinc/29/16/10/411291610.db2.gz	HLQAPFLFEQGFEG-NXEZZACHSA-N	1	2	207.277	0.612	10	70		BCIELO
C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1	ZINC000161304179	349419616	/nfs/dbraw/zinc/41/96/16/349419616.db2.gz	HCTBUWLLMWDWNK-BBBLOLIVSA-N	1	2	219.288	0.970	10	70		BCIELO
C[N@@H+]1CCO[C@@H](CNC(=O)NC2(C)CCC2)C1	ZINC000160830678	349330280	/nfs/dbraw/zinc/33/02/80/349330280.db2.gz	WDTSQEHQJSGJLM-JTQLQIEISA-N	1	2	241.335	0.559	10	70		BCIELO
C[N@H+]1CCO[C@@H](CNC(=O)NC2(C)CCC2)C1	ZINC000160830678	349330281	/nfs/dbraw/zinc/33/02/81/349330281.db2.gz	WDTSQEHQJSGJLM-JTQLQIEISA-N	1	2	241.335	0.559	10	70		BCIELO
C[NH+]1CCN(C(=O)c2cnc(N)s2)CC1	ZINC000217662413	398322451	/nfs/dbraw/zinc/32/24/51/398322451.db2.gz	FHLUKKTUESEMGP-UHFFFAOYSA-N	1	2	226.305	0.113	10	70		BCIELO