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)n(C(=C(Cl)Br)n2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1[N+](=O)[O-]	ZINC000008934182	554828644	/nfs/dbraw/zinc/82/86/44/554828644.db2.gz	GKJNFEHCZGXDCM-UHFFFAOYSA-N	-1	1	451.533	0.110	50	5		JCBAMM
COc1ccc(C(=O)[N-]C(=O)COC(=O)CCNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	ZINC000009666396	194865850	/nfs/dbraw/zinc/86/58/50/194865850.db2.gz	JHIRJDDCHUZIIL-UHFFFAOYSA-N	-1	1	495.466	0.780	50	5		JCBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(S(=O)(=O)c4ccccc4)C[C@H]32)C(=O)N1	ZINC000012376837	555964736	/nfs/dbraw/zinc/96/47/36/555964736.db2.gz	FZRIPNBNGDOHIC-KRWDZBQOSA-N	-1	1	485.478	0.383	50	5		JCBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(S(=O)(=O)c4ccccc4)C[C@@H]32)C1=O	ZINC000012416559	523718991	/nfs/dbraw/zinc/71/89/91/523718991.db2.gz	DKVLWVIIFPKOMX-XMSQKQJNSA-N	-1	1	499.505	0.725	50	5		JCBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(S(=O)(=O)c4ccccc4)C[C@@H]32)C1=O	ZINC000015023401	555864275	/nfs/dbraw/zinc/86/42/75/555864275.db2.gz	DKVLWVIIFPKOMX-GCJKJVERSA-N	-1	1	499.505	0.725	50	5		JCBAMM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(S(=O)(=O)c4ccccc4)C[C@@H]32)C(=O)N1	ZINC000015023691	555864675	/nfs/dbraw/zinc/86/46/75/555864675.db2.gz	FZRIPNBNGDOHIC-QGZVFWFLSA-N	-1	1	485.478	0.383	50	5		JCBAMM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(S(=O)(=O)c4ccccc4)C[C@H]32)C1=O	ZINC000230058369	570044294	/nfs/dbraw/zinc/04/42/94/570044294.db2.gz	DKVLWVIIFPKOMX-AVRDEDQJSA-N	-1	1	499.505	0.725	50	5		JCBAMM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(S(=O)(=O)c4ccccc4)C[C@H]32)C1=O	ZINC000230058375	570044210	/nfs/dbraw/zinc/04/42/10/570044210.db2.gz	DKVLWVIIFPKOMX-PGRDOPGGSA-N	-1	1	499.505	0.725	50	5		JCBAMM