smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])C(=O)[N-]C1=S	ZINC000004723836	181142153	/nfs/dbraw/zinc/14/21/53/181142153.db2.gz	JBRAPSQIMKTUKX-RMKNXTFCSA-N	-2	1	320.326	0.407	50	10		DCCAML
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1C(=O)[O-]	ZINC000000036930	180674490	/nfs/dbraw/zinc/67/44/90/180674490.db2.gz	MRASLCYUYOMTTD-UHFFFAOYSA-N	-2	1	306.299	0.308	50	10		DCCAML
O=C([O-])COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000004723721	181142165	/nfs/dbraw/zinc/14/21/65/181142165.db2.gz	YYAVFPBHUPPMET-UHFFFAOYSA-N	-2	1	306.299	0.064	50	10		DCCAML
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCC(=O)[O-]	ZINC000002120023	395681215	/nfs/dbraw/zinc/68/12/15/395681215.db2.gz	AVGNISQQLUQZKV-UHFFFAOYSA-N	-2	1	307.258	0.256	50	10	biogenic	DCCAML
CN1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000020235554	182199750	/nfs/dbraw/zinc/19/97/50/182199750.db2.gz	LTJKTXWJHMPWOF-TWGQIWQCSA-N	-2	1	305.315	0.554	50	10		DCCAML
Cc1cc(=O)oc2c1ccc([O-])c2C[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000000056570	301068745	/nfs/dbraw/zinc/06/87/45/301068745.db2.gz	RJPSHDMGSVVHFA-UHFFFAOYSA-N	-2	1	321.285	0.778	50	10	biogenic	DCCAML
O=C([O-])CN1C(=O)C(=C2SC(=S)[N-]C2=O)c2ccccc21	ZINC000001202867	304066581	/nfs/dbraw/zinc/06/65/81/304066581.db2.gz	LGKPLVYDSREBLT-KTKRTIGZSA-N	-2	1	320.351	0.977	50	10		DCCAML
CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000000567366	395680554	/nfs/dbraw/zinc/68/05/54/395680554.db2.gz	KMCJHANFXNMYMZ-UXBLZVDNSA-N	-2	1	320.326	0.407	50	10		DCCAML
CN1C(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000016265732	415151252	/nfs/dbraw/zinc/15/12/52/415151252.db2.gz	RDJFRZCSOMGMHF-TWGQIWQCSA-N	-2	1	305.315	0.554	50	10		DCCAML