smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2F)nc(C2CC[NH2+]CC2)n1	ZINC000019710129	556871927	/nfs/dbraw/zinc/87/19/27/556871927.db2.gz	BWSHXGWGOXOXHL-UHFFFAOYSA-N	2	2	440.611	3.771	40	10		IHCBLP
CN(C)c1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2F)nc(C2CC[NH2+]CC2)n1	ZINC000019710129	556871931	/nfs/dbraw/zinc/87/19/31/556871931.db2.gz	BWSHXGWGOXOXHL-UHFFFAOYSA-N	2	2	440.611	3.771	40	10		IHCBLP
Oc1ccccc1C[NH+]1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1	ZINC000225473989	291377204	/nfs/dbraw/zinc/37/72/04/291377204.db2.gz	JUUXQJGOUQUPSR-UHFFFAOYSA-N	2	2	435.593	3.891	40	10	biogenic,in-vitro	IHCBLP
Oc1ccccc1C[NH+]1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1	ZINC000225473989	291377206	/nfs/dbraw/zinc/37/72/06/291377206.db2.gz	JUUXQJGOUQUPSR-UHFFFAOYSA-N	2	2	435.593	3.891	40	10	biogenic,in-vitro	IHCBLP