smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(NN=C2C(=O)[N-]C(=O)NC2=O)cc(C(=O)[O-])c1	ZINC000003248787	382641188	/nfs/dbraw/zinc/64/11/88/382641188.db2.gz	INLUUFXUIKAHAS-UHFFFAOYSA-N	-3	0	320.217	-0.783	50	30		DBEARL
O=C1[N-]OC[C@H]1/N=C/c1ccc(/C=N/[C@@H]2CO[N-]C2=O)cc1	ZINC000005785445	181283433	/nfs/dbraw/zinc/28/34/33/181283433.db2.gz	ODKYYBOHSVLGNU-OPNURDJNSA-N	-2	0	302.290	-0.616	50	30	world	DBEARL
O=C1[N-]C(=O)C(=NNc2cccc(S(=O)(=O)[O-])c2)C(=O)N1	ZINC000018191801	392781292	/nfs/dbraw/zinc/78/12/92/392781292.db2.gz	ISSTUQUWIDJNOW-UHFFFAOYSA-N	-2	0	312.263	-0.093	50	30		DBEARL
CS(=O)(=O)n1[n-]c(=N)c(N=Nc2ccc(C(=O)[O-])cc2)c1N	ZINC000008694848	382666276	/nfs/dbraw/zinc/66/62/76/382666276.db2.gz	ZVOPLWWCLXSBOJ-YBPNIDACSA-N	-2	0	324.322	-0.113	50	30		DBEARL
O=C1[N-]OC[C@H]1/N=C/c1ccc(/C=N/[C@H]2CO[N-]C2=O)cc1	ZINC000000000747	374233473	/nfs/dbraw/zinc/23/34/73/374233473.db2.gz	ODKYYBOHSVLGNU-RATLJOGBSA-N	-2	0	302.290	-0.616	50	30	world	DBEARL
O=c1nc2[n-]c(NN=Cc3ccc([N+](=O)[O-])o3)nnc-2c(=O)[n-]1	ZINC000013510905	374353204	/nfs/dbraw/zinc/35/32/04/374353204.db2.gz	KLYIHEUFYSXCCD-QDEBKDIKSA-N	-2	0	318.209	-0.651	50	30		DBEARL
O=C1[N-]C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)N1	ZINC000018996456	182103169	/nfs/dbraw/zinc/10/31/69/182103169.db2.gz	YWQWCJYMMQJOLE-UHFFFAOYSA-N	-2	0	312.263	-0.093	50	30		DBEARL
O=C1[N-]OC[C@@H]1/N=C/c1ccc(/C=N/[C@H]2CO[N-]C2=O)cc1	ZINC000030691445	374432373	/nfs/dbraw/zinc/43/23/73/374432373.db2.gz	ODKYYBOHSVLGNU-AESBOGCRSA-N	-2	0	302.290	-0.616	50	30	world	DBEARL