smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)N1	ZINC000003025846	203981475	/nfs/dbraw/zinc/98/14/75/203981475.db2.gz	VVINTTGNGCYWKI-UHFFFAOYSA-N	-2	0	393.406	0.606	50	10		GCCARL
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(Br)cc1OCC(=O)[O-]	ZINC000004918568	206215080	/nfs/dbraw/zinc/21/50/80/206215080.db2.gz	HERNEXBIWPIJPF-UHFFFAOYSA-N	-2	0	399.153	0.671	50	10		GCCARL
CCCCCCN1C(=O)[N-]C(=O)C(=CN[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1=O	ZINC000020567545	210349097	/nfs/dbraw/zinc/34/90/97/210349097.db2.gz	QGDVPDYYFWYBHB-SUIFULHWSA-N	-2	0	377.401	0.538	50	10		GCCARL
O=C([O-])CC[C@H](NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000095170317	136177814	/nfs/dbraw/zinc/17/78/14/136177814.db2.gz	RQQXNDQAXFZJOC-IEHMKBBKSA-N	-3	0	377.378	0.226	50	10		GCCARL
O=C([O-])CC[C@@H](NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000095170318	136177964	/nfs/dbraw/zinc/17/79/64/136177964.db2.gz	RQQXNDQAXFZJOC-HIJJYWJESA-N	-3	0	377.378	0.226	50	10		GCCARL
CCCCCCN1C(=O)[N-]C(=O)C(=CN[C@H](Cc2c[nH]cn2)C(=O)[O-])C1=O	ZINC000020567546	570268322	/nfs/dbraw/zinc/26/83/22/570268322.db2.gz	QGDVPDYYFWYBHB-KIWPFMIBSA-N	-2	0	377.401	0.538	50	10		GCCARL
Nc1c(S(=O)(=O)[O-])ccc2c1C(=O)c1cccc(S(=O)(=O)[O-])c1C2=O	ZINC000006445348	209650125	/nfs/dbraw/zinc/65/01/25/209650125.db2.gz	NFLRIAOPGYWCEQ-UHFFFAOYSA-N	-2	0	383.359	0.538	50	10		GCCARL
O=C([O-])CN(CC(=O)[O-])Cc1cc2c(c(O)c1[O-])C(=O)c1ccccc1C2=O	ZINC000003861001	209457016	/nfs/dbraw/zinc/45/70/16/209457016.db2.gz	PWIGYBONXWGOQE-UHFFFAOYSA-N	-3	0	385.328	0.844	50	10	biogenic,in-vitro	GCCARL
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000001811550	209339785	/nfs/dbraw/zinc/33/97/85/209339785.db2.gz	RQSLTVUOPFHVJT-QXMHVHEDSA-N	-2	0	378.387	0.774	50	10		GCCARL
Nc1c(S(=O)(=O)[O-])ccc2c1C(=O)c1ccc(S(=O)(=O)[O-])cc1C2=O	ZINC000004044212	530941214	/nfs/dbraw/zinc/94/12/14/530941214.db2.gz	CGRNCNOQLQMUGN-UHFFFAOYSA-N	-2	0	383.359	0.538	50	10		GCCARL