smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)C(C)(C)[NH2+]Cc1ccn[nH]1	160606683	538043621	/nfs/dbraw/zinc/04/36/21/538043621.db2.gz	ZNTWOUZJYZBSOY-ZETCQYMHSA-N	1	2	183.255	0.659	10	70		ACIELO
C[C@@H](O)C(C)(C)[NH2+]Cc1ccn[nH]1	160606785	538044700	/nfs/dbraw/zinc/04/47/00/538044700.db2.gz	ZNTWOUZJYZBSOY-SSDOTTSWSA-N	1	2	183.255	0.659	10	70		ACIELO
C[C@H](CO)CN1CC[NH+](C2CC2)CC1	160933130	538054101	/nfs/dbraw/zinc/05/41/01/538054101.db2.gz	UGNLZBSQULOWPF-JTQLQIEISA-N	1	2	198.310	0.395	10	70		ACIELO
C[C@@H](CO)CN1CC[NH+](C2CC2)CC1	160933272	538056842	/nfs/dbraw/zinc/05/68/42/538056842.db2.gz	UGNLZBSQULOWPF-SNVBAGLBSA-N	1	2	198.310	0.395	10	70		ACIELO
CNC(=O)C[NH2+][C@@H](C)c1cscn1	161139937	538058941	/nfs/dbraw/zinc/05/89/41/538058941.db2.gz	LTTFTMIXHOFKAG-LURJTMIESA-N	1	2	199.279	0.540	10	70		ACIELO
CNC(=O)C[NH2+][C@H](C)c1cscn1	161140056	538060204	/nfs/dbraw/zinc/06/02/04/538060204.db2.gz	LTTFTMIXHOFKAG-ZCFIWIBFSA-N	1	2	199.279	0.540	10	70		ACIELO
CC[C@@H](CSC)[NH2+]CC(=O)OC	217330515	573288240	/nfs/dbraw/zinc/28/82/40/573288240.db2.gz	XXSIGAJTZWGKEX-ZETCQYMHSA-N	1	2	191.296	0.891	10	70		ACIELO
CC[C@H](CSC)[NH2+]CC(=O)OC	217330516	573290447	/nfs/dbraw/zinc/29/04/47/573290447.db2.gz	XXSIGAJTZWGKEX-SSDOTTSWSA-N	1	2	191.296	0.891	10	70		ACIELO
CCOC(=O)C[NH2+][C@H](C)[C@H](C)CO	160214587	344160015	/nfs/dbraw/zinc/16/00/15/344160015.db2.gz	MCCZOCKWEBEHGD-HTQZYQBOSA-N	1	2	189.255	0.156	10	70		ACIELO
CCOC(=O)C[NH2+][C@H](C)[C@@H](C)CO	160214316	344159917	/nfs/dbraw/zinc/15/99/17/344159917.db2.gz	MCCZOCKWEBEHGD-JGVFFNPUSA-N	1	2	189.255	0.156	10	70		ACIELO
CCOC(=O)C[NH2+][C@@H](C)[C@@H](C)CO	160214204	344160125	/nfs/dbraw/zinc/16/01/25/344160125.db2.gz	MCCZOCKWEBEHGD-YUMQZZPRSA-N	1	2	189.255	0.156	10	70		ACIELO
CCOC(=O)C[NH2+][C@@H](C)[C@H](C)CO	160214441	344160215	/nfs/dbraw/zinc/16/02/15/344160215.db2.gz	MCCZOCKWEBEHGD-SFYZADRCSA-N	1	2	189.255	0.156	10	70		ACIELO
COc1cc[nH+]cc1NC(N)=S	218703465	344415329	/nfs/dbraw/zinc/41/53/29/344415329.db2.gz	CZJXICDPOHDDHC-UHFFFAOYSA-N	1	2	183.236	0.746	10	70		ACIELO