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(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	ZINC000043300328	562647392	/nfs/dbraw/zinc/64/73/92/562647392.db2.gz	LFXQJPLSGITUKM-UHFFFAOYSA-N	2	2	500.427	4.403	40	70		KIIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	ZINC000043300435	562647430	/nfs/dbraw/zinc/64/74/30/562647430.db2.gz	CDBJTQNRWOHIBD-UHFFFAOYSA-N	2	2	500.427	4.403	40	70		KIIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)cc2)c(Cl)c1	ZINC000043307573	562647578	/nfs/dbraw/zinc/64/75/78/562647578.db2.gz	XRLFNMNZWUJTLQ-UHFFFAOYSA-N	2	2	559.023	4.015	40	70		KIIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	ZINC000043706278	562650825	/nfs/dbraw/zinc/65/08/25/562650825.db2.gz	MQTIONOODXSMIB-UHFFFAOYSA-N	2	2	500.427	4.403	40	70		KIIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043860732	562651090	/nfs/dbraw/zinc/65/10/90/562651090.db2.gz	MUJBURJCNWOOJV-UHFFFAOYSA-N	2	2	500.427	4.403	40	70		KIIBLP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1	ZINC000043871712	562651136	/nfs/dbraw/zinc/65/11/36/562651136.db2.gz	DLWNCBJHSVAOML-UHFFFAOYSA-N	2	2	500.427	4.403	40	70		KIIBLP