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(=[NH2+])N1c1ccc(OCc2c(Cl)cccc2S(=O)(=O)F)c(Cl)c1	ZINC000044146368	563171788	/nfs/dbraw/zinc/17/17/88/563171788.db2.gz	JTKDLOSJPMXAMI-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	ZINC000043307423	563169317	/nfs/dbraw/zinc/16/93/17/563169317.db2.gz	USYVSBKHQJHLLP-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	ZINC000043845615	563171164	/nfs/dbraw/zinc/17/11/64/563171164.db2.gz	HKVSCCTWYYGOLP-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(OCCCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300479	563169237	/nfs/dbraw/zinc/16/92/37/563169237.db2.gz	SOYSPCZKTKOYNT-UHFFFAOYSA-N	2	2	497.980	3.422	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2cc(S(=O)(=O)F)ccc2Cl)c(Cl)c1	ZINC000043300460	563169247	/nfs/dbraw/zinc/16/92/47/563169247.db2.gz	KEDAQUITONUFML-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(OCCCOc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043307705	563169447	/nfs/dbraw/zinc/16/94/47/563169447.db2.gz	FAVCTFGGUCHENW-UHFFFAOYSA-N	2	2	483.953	3.032	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2cccc(S(=O)(=O)F)c2Cl)c(Cl)c1	ZINC000043307545	563169429	/nfs/dbraw/zinc/16/94/29/563169429.db2.gz	LLCKURMTIPTKES-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300454	563169284	/nfs/dbraw/zinc/16/92/84/563169284.db2.gz	VGRUCVGXTATKTB-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
Cc1cc(S(=O)(=O)F)ccc1COc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1Cl	ZINC000044201915	563171966	/nfs/dbraw/zinc/17/19/66/563171966.db2.gz	RIHSQLBPRXXXOI-UHFFFAOYSA-N	2	2	453.927	3.071	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043307681	563169361	/nfs/dbraw/zinc/16/93/61/563169361.db2.gz	PBNISSZGQFAIKS-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	ZINC000043871498	563171238	/nfs/dbraw/zinc/17/12/38/563171238.db2.gz	LYTIFVTYWZPYNH-UHFFFAOYSA-N	2	2	474.345	3.416	1	70		JGIFLP