smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2ccc(Br)c([O-])c2c(O)c2c1C[C@H]1CC([O-])=C(C(N)=O)C(=O)[C@]1(O)C2=O	ZINC000071769627	569697746	/nfs/dbraw/zinc/69/77/46/569697746.db2.gz	CZEHDMVXMZUTHC-SVWIBVJCSA-N	-2	1	462.252	1.678	50	30		JDEAML
Cn1c2ccccc2c([O-])c(C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nnn[n-]2)c1=O	ZINC000252601418	570085192	/nfs/dbraw/zinc/08/51/92/570085192.db2.gz	FAHDDGIWQLXVQZ-UHFFFAOYSA-N	-2	1	451.359	1.438	50	30		JDEAML
Cn1c2ccccc2c([O-])c(C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nnn[n-]2)c1=O	ZINC000008384810	554567758	/nfs/dbraw/zinc/56/77/58/554567758.db2.gz	FAHDDGIWQLXVQZ-HKWRFOASSA-N	-2	1	451.359	1.438	50	30		JDEAML
Cc1c2ccc(Br)c([O-])c2c(O)c2c1C[C@@H]1CC([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O	ZINC000071769629	569697810	/nfs/dbraw/zinc/69/78/10/569697810.db2.gz	CZEHDMVXMZUTHC-GLEHDBDLSA-N	-2	1	462.252	1.678	50	30		JDEAML
C=CCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)[O-])cc2Br)C(=O)[N-]C1=S	ZINC000002996479	194197848	/nfs/dbraw/zinc/19/78/48/194197848.db2.gz	ZGUBJISTOHDQEU-BJMVGYQFSA-N	-2	1	455.286	1.734	50	30		JDEAML
Cc1c2ccc(Br)c([O-])c2c(O)c2c1C[C@@H]1CC([O-])=C(C(N)=O)C(=O)[C@]1(O)C2=O	ZINC000071769625	569697775	/nfs/dbraw/zinc/69/77/75/569697775.db2.gz	CZEHDMVXMZUTHC-JLPJYYFKSA-N	-2	1	462.252	1.678	50	30		JDEAML
Cc1c2ccc(Br)c([O-])c2c(O)c2c1C[C@H]1CC([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O	ZINC000071769630	569697816	/nfs/dbraw/zinc/69/78/16/569697816.db2.gz	CZEHDMVXMZUTHC-JKNYTWMOSA-N	-2	1	462.252	1.678	50	30		JDEAML
O=S(=O)([O-])c1ccc(N=NC(N=Nc2nn[n-]n2)c2ccccc2)c(S(=O)(=O)[O-])c1	ZINC000008817748	554700960	/nfs/dbraw/zinc/70/09/60/554700960.db2.gz	PTVVVJPXICYQAZ-HPHQGHHHSA-N	-3	1	452.434	1.251	50	30		JDEAML
O=S(=O)([O-])c1ccc(N=NC(N=Nc2nn[nH]n2)c2ccccc2)c(S(=O)(=O)[O-])c1	ZINC000008817748	554700963	/nfs/dbraw/zinc/70/09/63/554700963.db2.gz	PTVVVJPXICYQAZ-HPHQGHHHSA-N	-2	1	452.434	1.251	50	30		JDEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc1[O-]	ZINC000006975126	554562887	/nfs/dbraw/zinc/56/28/87/554562887.db2.gz	OZLGBWRKGBTNBY-RPJLVFAOSA-N	-2	1	478.464	1.759	50	30		JDEAML