smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Cc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3[O-])[n-]c2=O)cc1OC	ZINC000253532076	569284033	/nfs/dbraw/zinc/28/40/33/569284033.db2.gz	ZSZQEBFFMBNYID-UHFFFAOYSA-N	-2	0	426.389	2.245	50	30		IEEARL
N#CCCN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036357682	526460843	/nfs/dbraw/zinc/46/08/43/526460843.db2.gz	OQPBDDDLRICFAV-GOSISDBHSA-N	-2	0	449.305	2.145	50	30		IEEARL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)NCCCC(=O)[O-])C1=O)O2	ZINC000218524551	568759915	/nfs/dbraw/zinc/75/99/15/568759915.db2.gz	GRSFRYUXQZOMIM-RCJYHZQCSA-N	-2	0	429.425	2.023	50	30	biogenic	IEEARL
N#CCCN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036357681	526460694	/nfs/dbraw/zinc/46/06/94/526460694.db2.gz	OQPBDDDLRICFAV-SFHVURJKSA-N	-2	0	449.305	2.145	50	30		IEEARL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCC(=O)[O-])C1=O)O2	ZINC000103147037	557423543	/nfs/dbraw/zinc/42/35/43/557423543.db2.gz	GRSFRYUXQZOMIM-NCSHYYEOSA-N	-2	0	429.425	2.023	50	30	biogenic	IEEARL
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2C)cc1	ZINC000095447962	518479062	/nfs/dbraw/zinc/47/90/62/518479062.db2.gz	LRZBTQANRRMZOL-UHFFFAOYSA-N	-2	0	435.487	2.042	50	30		IEEARL
CCOc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1	ZINC000100913592	557200877	/nfs/dbraw/zinc/20/08/77/557200877.db2.gz	GNVGQGQBSXWFTB-UNOMPAQXSA-N	-2	0	432.454	2.173	50	30		IEEARL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCCC(=O)[O-])C1=O)O2	ZINC000253410274	569265713	/nfs/dbraw/zinc/26/57/13/569265713.db2.gz	NDECAKZQMZKBRI-LJJIPZOBSA-N	-2	0	443.452	2.413	50	30	biogenic	IEEARL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)NCCCCC(=O)[O-])C1=O)O2	ZINC000253410276	569265744	/nfs/dbraw/zinc/26/57/44/569265744.db2.gz	NDECAKZQMZKBRI-UUFSLDAJSA-N	-2	0	443.452	2.413	50	30	biogenic	IEEARL
C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000002830458	557321910	/nfs/dbraw/zinc/32/19/10/557321910.db2.gz	UXTNPNLYIOMMHB-UHFFFAOYSA-N	-2	0	436.420	2.450	50	30		IEEARL