smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCNc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000005315317	204201745	/nfs/dbraw/zinc/20/17/45/204201745.db2.gz	JATOTVFVQYRPDU-UHFFFAOYSA-N	0	3	369.512	7.124	10	10		FKCEHN
[O-]c1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(C(F)(F)F)c1	ZINC000011839351	207324589	/nfs/dbraw/zinc/32/45/89/207324589.db2.gz	MPCHGIPFXZNJQM-UHFFFAOYSA-N	0	3	357.375	5.368	10	10		FKCEHN
CC1CC[NH+](Cc2cc(-c3ccnc4cc(Cl)ccc43)ccc2[O-])CC1	ZINC000012151645	570723687	/nfs/dbraw/zinc/72/36/87/570723687.db2.gz	IBIVRHZCVDUZCL-UHFFFAOYSA-N	0	3	366.892	5.493	10	10		FKCEHN
COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)c(OC)c1	ZINC000029348189	204899690	/nfs/dbraw/zinc/89/96/90/204899690.db2.gz	HWFMNVIMYZZGGU-UHFFFAOYSA-N	0	3	373.412	5.319	10	10		FKCEHN
CC[NH+](CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1[O-]	ZINC000036378506	414980821	/nfs/dbraw/zinc/98/08/21/414980821.db2.gz	QGFYFOHMBDMGBZ-UHFFFAOYSA-N	0	3	355.869	5.179	10	10	aggregator,in-man	FKCEHN