smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000001612188	557275951	/nfs/dbraw/zinc/27/59/51/557275951.db2.gz	CXNPLSGKWMLZPZ-QOBDMFJFSA-N	0	3	422.446	-2.219	50	0	endogenous,in-man	HAAAHN
CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000003594207	560189008	/nfs/dbraw/zinc/18/90/08/560189008.db2.gz	CXNPLSGKWMLZPZ-ZNIXKSQXSA-N	0	3	422.446	-2.219	50	0	in-vitro	HAAAHN
CN(C)CCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1	ZINC000004337193	558421507	/nfs/dbraw/zinc/42/15/07/558421507.db2.gz	CLIKBYIGIJICAN-CQSZACIVSA-N	0	3	402.448	-1.033	50	0		HAAAHN
CN(C)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(F)cc1	ZINC000004337196	558421450	/nfs/dbraw/zinc/42/14/50/558421450.db2.gz	CLIKBYIGIJICAN-AWEZNQCLSA-N	0	3	402.448	-1.033	50	0		HAAAHN
C[C@@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)N)CCOCCOCC1	ZINC000004661806	558874736	/nfs/dbraw/zinc/87/47/36/558874736.db2.gz	IILZRNRJZPPHNX-HZPDHXFCSA-N	0	3	404.508	-1.582	50	0		HAAAHN
C[C@H](N)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)N)CCOCCOCC1	ZINC000004661807	558874669	/nfs/dbraw/zinc/87/46/69/558874669.db2.gz	IILZRNRJZPPHNX-HOTGVXAUSA-N	0	3	404.508	-1.582	50	0		HAAAHN
COc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCN(C)C)cc1	ZINC000009600234	571272977	/nfs/dbraw/zinc/27/29/77/571272977.db2.gz	PFONWYYQHDSGLU-OAHLLOKOSA-N	0	3	414.484	-1.164	50	0		HAAAHN
COc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCN(C)C)cc1	ZINC000009600235	571272999	/nfs/dbraw/zinc/27/29/99/571272999.db2.gz	PFONWYYQHDSGLU-HNNXBMFYSA-N	0	3	414.484	-1.164	50	0		HAAAHN
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)N)C(N)=O	ZINC000013541272	558537641	/nfs/dbraw/zinc/53/76/41/558537641.db2.gz	YQVAAFNUCHSBSF-SNPRPXQTSA-N	0	3	423.539	-1.100	50	0		HAAAHN
CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@H]1C(=O)[O-])C(N)=[NH2+]	ZINC000137318780	1070911171	/nfs/dbraw/zinc/91/11/71/1070911171.db2.gz	CXNPLSGKWMLZPZ-DUBDDPSESA-N	0	3	422.446	-2.219	50	0		HAAAHN