smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-]	ZINC000004705988	194393799	/nfs/dbraw/zinc/39/37/99/194393799.db2.gz	VCCBSXQXECFSJO-VHEBQXMUSA-N	-2	1	468.425	2.945	50	10		JFCAML
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)cc1	ZINC000009311427	555087825	/nfs/dbraw/zinc/08/78/25/555087825.db2.gz	QTWYKXQJIRORSB-UHFFFAOYSA-N	-2	1	461.293	2.641	50	10		JFCAML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-]	ZINC000257347802	570152268	/nfs/dbraw/zinc/15/22/68/570152268.db2.gz	VCCBSXQXECFSJO-UHFFFAOYSA-N	-3	1	468.425	2.945	50	10		JFCAML
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000001151549	194050981	/nfs/dbraw/zinc/05/09/81/194050981.db2.gz	IUOWWDZASBZQDH-YHARCJFQSA-N	-2	1	450.454	2.609	50	10		JFCAML
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000032109805	556420237	/nfs/dbraw/zinc/42/02/37/556420237.db2.gz	IUOWWDZASBZQDH-BMJUYKDLSA-N	-2	1	450.454	2.609	50	10		JFCAML
O=C1[N-]C(=S)NC(=O)C1=Cc1c(Br)cc(Br)c([O-])c1Br	ZINC000015015422	555855888	/nfs/dbraw/zinc/85/58/88/555855888.db2.gz	JSQKJBUDMZOIFD-UHFFFAOYSA-N	-2	1	484.951	2.594	50	10		JFCAML
CC(=O)Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c32)c(S(=O)(=O)[O-])c1	ZINC000100049641	569751937	/nfs/dbraw/zinc/75/19/37/569751937.db2.gz	IJPUPVHRAZCFRI-QURGRASLSA-N	-2	1	480.480	2.995	50	10		JFCAML
O=Cc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000257347270	570152079	/nfs/dbraw/zinc/15/20/79/570152079.db2.gz	BXGFPMHXFNPUKK-UHFFFAOYSA-N	-3	1	452.422	2.972	50	10		JFCAML
O=Cc1ccc(NN=C2C(=O)c3c([O-])cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000257347270	570152080	/nfs/dbraw/zinc/15/20/80/570152080.db2.gz	BXGFPMHXFNPUKK-UHFFFAOYSA-N	-3	1	452.422	2.972	50	10		JFCAML