smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)c1[nH]cnc1NN=C(C(N)=S)C(=O)N1CCOCC1	ZINC000003766772	375159205	/nfs/dbraw/zinc/15/92/05/375159205.db2.gz	ZUUBSKIBMOTWPF-UHFFFAOYSA-N	0	1	339.381	-1.318	50	30		EAEAMN
NC(=O)NC(=O)Cc1sc(N[NH2+]c2csc(=O)[nH]2)nc1[O-]	ZINC000015953217	526925374	/nfs/dbraw/zinc/92/53/74/526925374.db2.gz	YNCBFINXNOSFCM-VKHMYHEASA-N	0	1	330.351	-1.071	50	30		EAEAMN
NC(=O)NC(=O)Cc1sc(N[NH2+]c2csc(=O)[nH]2)nc1[O-]	ZINC000018043372	526926651	/nfs/dbraw/zinc/92/66/51/526926651.db2.gz	YNCBFINXNOSFCM-GSVOUGTGSA-N	0	1	330.351	-1.071	50	30		EAEAMN
CNC(=O)CN1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000025579942	374614199	/nfs/dbraw/zinc/61/41/99/374614199.db2.gz	WGNPTBRNEWHRDO-UHFFFAOYSA-N	0	1	334.380	-1.422	50	30		EAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@@H](O)CO	ZINC000256000051	303479101	/nfs/dbraw/zinc/47/91/01/303479101.db2.gz	RSCSYLOUHOXZCJ-AHBBWCPWSA-N	0	1	337.281	-4.342	50	30		EAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@H](O)CO	ZINC000256000052	374606599	/nfs/dbraw/zinc/60/65/99/374606599.db2.gz	RSCSYLOUHOXZCJ-CGZJGHHCSA-N	0	1	337.281	-4.342	50	30		EAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@@H](O)CO	ZINC000256000053	374607303	/nfs/dbraw/zinc/60/73/03/374607303.db2.gz	RSCSYLOUHOXZCJ-PUHQRAHWSA-N	0	1	337.281	-4.342	50	30		EAEAMN
[NH3+][C@H](C=O)[C@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@@H]1O)[C@H](O)CO	ZINC000256000054	374606579	/nfs/dbraw/zinc/60/65/79/374606579.db2.gz	RSCSYLOUHOXZCJ-USVDFJDLSA-N	0	1	337.281	-4.342	50	30		EAEAMN