smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2c(Cl)cccc2S(=O)(=O)F)c(Cl)c1	ZINC000044146368	563171787	/nfs/dbraw/zinc/17/17/87/563171787.db2.gz	JTKDLOSJPMXAMI-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	ZINC000043307423	563169315	/nfs/dbraw/zinc/16/93/15/563169315.db2.gz	USYVSBKHQJHLLP-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	ZINC000043845615	563171162	/nfs/dbraw/zinc/17/11/62/563171162.db2.gz	HKVSCCTWYYGOLP-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(OCCCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300479	563169236	/nfs/dbraw/zinc/16/92/36/563169236.db2.gz	SOYSPCZKTKOYNT-UHFFFAOYSA-N	1	0	497.980	3.422	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cc(S(=O)(=O)F)ccc2Cl)c(Cl)c1	ZINC000043300460	563169246	/nfs/dbraw/zinc/16/92/46/563169246.db2.gz	KEDAQUITONUFML-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)c(OCCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307705	563169446	/nfs/dbraw/zinc/16/94/46/563169446.db2.gz	FAVCTFGGUCHENW-UHFFFAOYSA-N	1	0	483.953	3.032	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cccc(S(=O)(=O)F)c2Cl)c(Cl)c1	ZINC000043307545	563169427	/nfs/dbraw/zinc/16/94/27/563169427.db2.gz	LLCKURMTIPTKES-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300454	563169283	/nfs/dbraw/zinc/16/92/83/563169283.db2.gz	VGRUCVGXTATKTB-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
Cc1cc(S(=O)(=O)F)ccc1COc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1Cl	ZINC000044201915	563171965	/nfs/dbraw/zinc/17/19/65/563171965.db2.gz	RIHSQLBPRXXXOI-UHFFFAOYSA-N	1	0	453.927	3.071	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043307681	563169359	/nfs/dbraw/zinc/16/93/59/563169359.db2.gz	PBNISSZGQFAIKS-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	ZINC000043871498	563171236	/nfs/dbraw/zinc/17/12/36/563171236.db2.gz	LYTIFVTYWZPYNH-UHFFFAOYSA-N	1	0	474.345	3.416	1	70		JGIFRO