smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C(=O)[O-])ccc1NN=C1C(=O)[N-]C(=O)NC1=O	ZINC000008727961	301155629	/nfs/dbraw/zinc/15/56/29/301155629.db2.gz	UYDPPTWRMQLQID-UHFFFAOYSA-N	-2	0	290.235	-0.173	40	30		CBEBRL
Cc1ccc(S(=O)(=O)NN=C(C(=O)[O-])C(=O)[O-])cc1	ZINC000002025145	351306454	/nfs/dbraw/zinc/30/64/54/351306454.db2.gz	HYAQTKQVOMDGBO-UHFFFAOYSA-N	-2	0	286.265	-0.201	40	30		CBEBRL
O=c1nc2[n-]c(N=NCc3ccccc3)nnc-2c(=O)[n-]1	ZINC000006565684	170213749	/nfs/dbraw/zinc/21/37/49/170213749.db2.gz	NALSCRSNJFBRLT-AWNIVKPZSA-N	-2	0	283.251	-0.153	40	30		CBEBRL
NC1=NC(=O)[N-]C(=O)C1=NNc1ccc(C(=O)[O-])cc1	ZINC000102568504	303359968	/nfs/dbraw/zinc/35/99/68/303359968.db2.gz	WLXNQVQSWJVEAO-APSNUPSMSA-N	-2	0	275.224	-0.036	40	30		CBEBRL
Cc1ccc(S(=O)(=O)[N-]C(=O)NS(=O)(=O)[O-])cc1	ZINC000001655055	351304783	/nfs/dbraw/zinc/30/47/83/351304783.db2.gz	QGTURJWTCFSQEV-UHFFFAOYSA-N	-2	0	294.310	-0.010	40	30		CBEBRL
O=C1c2ccccc2C([O-])=C1C1(O)C(=O)[N-]C(=O)NC1=O	ZINC000059488892	419461167	/nfs/dbraw/zinc/46/11/67/419461167.db2.gz	VXOWZABSXVVRQU-UHFFFAOYSA-N	-2	0	288.215	-0.751	40	30		CBEBRL
O=c1nc2[n-]c(NN=Cc3ccco3)nnc-2c(=O)[n-]1	ZINC000005555105	170112908	/nfs/dbraw/zinc/11/29/08/170112908.db2.gz	VNFNYPYNAMUXGX-WCIBSUBMSA-N	-2	0	273.212	-0.560	40	30		CBEBRL
O=c1nc2nc(NN=Cc3ccccc3O)[n-]nc-2c(=O)[n-]1	ZINC000006694607	326819152	/nfs/dbraw/zinc/81/91/52/326819152.db2.gz	GYPJNWCBCSEEDT-WLRTZDKTSA-N	-2	0	299.250	-0.447	40	30		CBEBRL
Cc1cccc(NN=C2C(=O)[N-]C(=O)NC2=O)c1C(=O)[O-]	ZINC000008727890	302004778	/nfs/dbraw/zinc/00/47/78/302004778.db2.gz	ZYOVEGCXVLHHNZ-UHFFFAOYSA-N	-2	0	290.235	-0.173	40	30		CBEBRL
NS(=O)(=O)[N-]C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000035189336	303433416	/nfs/dbraw/zinc/43/34/16/303433416.db2.gz	QHZQZBUFBRMQIN-UCROKIRRSA-N	-2	0	260.271	-0.331	40	30		CBEBRL