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-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409190181	570161718	/nfs/dbraw/zinc/16/17/18/570161718.db2.gz	MDBGIJFDCISNKW-LDADJPATSA-N	-2	1	461.455	2.705	40	10		JFCBML
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409193634	570162736	/nfs/dbraw/zinc/16/27/36/570162736.db2.gz	IFNXNWLQALBARD-LDADJPATSA-N	-2	1	461.455	2.705	40	10		JFCBML
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(Br)c(Br)c1[O-]	ZINC000409230759	570177676	/nfs/dbraw/zinc/17/76/76/570177676.db2.gz	GEOJPVDJLPLXSC-BJMVGYQFSA-N	-2	1	497.099	2.987	40	10		JFCBML
CN(C)S(=O)(=O)c1ccc(Nc2ccc([O-])c3c2C(=O)c2c([N+](=O)[O-])ccc([O-])c2C3=O)cc1	ZINC000033363604	521988777	/nfs/dbraw/zinc/98/87/77/521988777.db2.gz	BBBZZDRRJUPEIV-UHFFFAOYSA-N	-2	1	483.458	2.775	40	10	in-vitro	JFCBML
CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C(=O)[N-]C1=S	ZINC000408913988	570074237	/nfs/dbraw/zinc/07/42/37/570074237.db2.gz	WTAFCHLUOATFTQ-RIYZIHGNSA-N	-2	1	475.320	2.983	40	10		JFCBML
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000408909634	570072092	/nfs/dbraw/zinc/07/20/92/570072092.db2.gz	HWJOVBQGMBXVEC-VGOFMYFVSA-N	-2	1	460.895	2.882	40	10		JFCBML
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c12	ZINC000299888245	570177852	/nfs/dbraw/zinc/17/78/52/570177852.db2.gz	BIRSOLGVSAACRW-UHFFFAOYSA-N	-3	1	468.425	2.945	40	10		JFCBML
O=Cc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000102311617	569812351	/nfs/dbraw/zinc/81/23/51/569812351.db2.gz	BXGFPMHXFNPUKK-VHEBQXMUSA-N	-2	1	452.422	2.972	40	10		JFCBML
O=Cc1ccc(NN=C2C(=O)c3c([O-])cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000102311617	569812352	/nfs/dbraw/zinc/81/23/52/569812352.db2.gz	BXGFPMHXFNPUKK-VHEBQXMUSA-N	-3	1	452.422	2.972	40	10		JFCBML
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(SCC(=O)[O-])c(O)c4ccccc34)ccc21	ZINC000001893406	194153029	/nfs/dbraw/zinc/15/30/29/194153029.db2.gz	MPVOMYOUCHNTSW-UHFFFAOYSA-N	-2	1	460.489	2.968	40	10		JFCBML
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2cc([N+](=O)[O-])ccc2[O-])C1=O	ZINC000016282417	526167861	/nfs/dbraw/zinc/16/78/61/526167861.db2.gz	LNHVHCFXLAHOKC-WQLSENKSSA-N	-2	1	461.228	2.950	40	10		JFCBML
Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1[O-])C(S(=O)(=O)[O-])=C2	ZINC000299888537	570177919	/nfs/dbraw/zinc/17/79/19/570177919.db2.gz	NQGIFVWQIYLXKQ-UHFFFAOYSA-N	-3	1	484.424	2.650	40	10		JFCBML
O=Cc1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000004583953	194392664	/nfs/dbraw/zinc/39/26/64/194392664.db2.gz	BXGFPMHXFNPUKK-HNENSFHCSA-N	-2	1	452.422	2.972	40	10		JFCBML
O=Cc1ccc(NN=C2C(=O)c3c([O-])cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000004583953	194392665	/nfs/dbraw/zinc/39/26/65/194392665.db2.gz	BXGFPMHXFNPUKK-HNENSFHCSA-N	-3	1	452.422	2.972	40	10		JFCBML
CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)[N-]C1=S	ZINC000009323251	555096529	/nfs/dbraw/zinc/09/65/29/555096529.db2.gz	IDZQNDWPBVUOHA-RIYZIHGNSA-N	-2	1	475.320	2.983	40	10		JFCBML
CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)[O-])cc([O-])c32)c(S(=O)(=O)[O-])c1	ZINC000263614380	570172629	/nfs/dbraw/zinc/17/26/29/570172629.db2.gz	IJPUPVHRAZCFRI-UHFFFAOYSA-N	-3	1	480.480	2.995	40	10	in-vitro	JFCBML
Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1/N=N\c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-]	ZINC000017311127	527509578	/nfs/dbraw/zinc/50/95/78/527509578.db2.gz	VCCBSXQXECFSJO-HNENSFHCSA-N	-3	1	468.425	2.945	40	10		JFCBML
O=C([O-])c1ccc(NN=C2C(=O)c3c([O-])cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1O	ZINC000299888227	570177928	/nfs/dbraw/zinc/17/79/28/570177928.db2.gz	AVQNYAVVZFBCKZ-UHFFFAOYSA-N	-4	1	484.420	2.564	40	10		JFCBML