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(OCc2ccc(COc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1	ZINC000043300591	562647460	/nfs/dbraw/zinc/64/74/60/562647460.db2.gz	UPOLIGTXRYISGC-UHFFFAOYSA-N	2	2	546.024	4.342	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCC2CCC(COc3ccc(S(=O)(=O)F)cc3)CC2)c(Cl)c1	ZINC000043300626	562647498	/nfs/dbraw/zinc/64/74/98/562647498.db2.gz	WCYBQSFAVSHTHH-UHFFFAOYSA-N	2	2	552.072	4.448	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043300631	562647540	/nfs/dbraw/zinc/64/75/40/562647540.db2.gz	DLPUGSCFZXDCJS-UHFFFAOYSA-N	2	2	500.427	4.403	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1	ZINC000043307539	562647517	/nfs/dbraw/zinc/64/75/17/562647517.db2.gz	JKEFGVQEUDULPU-UHFFFAOYSA-N	2	2	559.023	4.015	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccccc2C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307575	562647593	/nfs/dbraw/zinc/64/75/93/562647593.db2.gz	IAASIROUWADJRR-UHFFFAOYSA-N	2	2	559.023	4.015	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307626	562647582	/nfs/dbraw/zinc/64/75/82/562647582.db2.gz	KRIHPSHIXHMOJW-UHFFFAOYSA-N	2	2	526.034	4.202	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)c(Cl)c1	ZINC000043307779	562647564	/nfs/dbraw/zinc/64/75/64/562647564.db2.gz	IPIDACHJKIQTMP-UHFFFAOYSA-N	2	2	559.023	4.015	1	70		KIIFLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2cccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)c2)c(Cl)c1	ZINC000043834694	562650994	/nfs/dbraw/zinc/65/09/94/562650994.db2.gz	PVQRYUPRHPSKFJ-UHFFFAOYSA-N	2	2	559.023	4.015	1	70		KIIFLP
COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(N4CCN(C(=O)C[NH+](C)C)CC4)c3c2)cc(Cl)c1O	ZINC000217400022	562877550	/nfs/dbraw/zinc/87/75/50/562877550.db2.gz	UQVVVEQIKFQOQQ-UHFFFAOYSA-N	2	2	523.033	4.072	1	70		KIIFLP