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(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043300606	563119967	/nfs/dbraw/zinc/11/99/67/563119967.db2.gz	IQHXPLJJDASOCX-UHFFFAOYSA-N	2	1	446.508	2.102	40	70		IEIBMP
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCCCCC1	ZINC000217559985	557171528	/nfs/dbraw/zinc/17/15/28/557171528.db2.gz	HSOIAQSJLYVVJJ-RBUKOAKNSA-N	2	1	438.572	2.248	40	70		IEIBMP
CC1CC[NH+](Cc2c(O)c(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)n2C)CC1	ZINC000217562087	557171421	/nfs/dbraw/zinc/17/14/21/557171421.db2.gz	RRJHGBUWGMKKPK-RBUKOAKNSA-N	2	1	438.572	2.104	40	70		IEIBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300477	563119899	/nfs/dbraw/zinc/11/98/99/563119899.db2.gz	XLBWQEGQTYJCBL-UHFFFAOYSA-N	2	1	446.508	2.102	40	70		IEIBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1	ZINC000044201864	563121746	/nfs/dbraw/zinc/12/17/46/563121746.db2.gz	HZWVVBOMSDGROE-UHFFFAOYSA-N	2	1	446.508	2.102	40	70		IEIBMP