smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)n1cc(C[NH2+][C@H](C)c2ccccc2Br)cn1	ZINC000218146904	340492364	/nfs/dbraw/zinc/49/23/64/340492364.db2.gz	DYRYOTIEKYMSCF-GFCCVEGCSA-N	1	1	322.250	4.077	10	70		DIIEMO
Cn1nccc1C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1	ZINC000160067904	332755224	/nfs/dbraw/zinc/75/52/24/332755224.db2.gz	MTMUHVKMEYAANG-UHFFFAOYSA-N	1	1	324.255	4.107	10	70		DIIEMO
CC(C)n1cc(C[NH2+][C@@H](C)c2ccccc2Br)cn1	ZINC000218147249	340492336	/nfs/dbraw/zinc/49/23/36/340492336.db2.gz	DYRYOTIEKYMSCF-LBPRGKRZSA-N	1	1	322.250	4.077	10	70		DIIEMO
CCn1cc(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cn1	ZINC000160465600	523356911	/nfs/dbraw/zinc/35/69/11/523356911.db2.gz	PWORMAWEWJHURM-UHFFFAOYSA-N	1	1	321.827	4.075	10	70		DIIEMO