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)c1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(N(C)C)cc2)cc1	ZINC000017376616	522132394	/nfs/dbraw/zinc/13/23/94/522132394.db2.gz	TZTVWMFSHHFTPL-FQHZWJPGSA-N	2	0	378.564	4.917	50	30		GJEARP
CN(C)c1ccc(/C=[NH+]\CCCCCC/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000102891533	522136484	/nfs/dbraw/zinc/13/64/84/522136484.db2.gz	TZTVWMFSHHFTPL-DQIQZUARSA-N	2	0	378.564	4.917	50	30		GJEARP
CCCCCCCC(=O)OC(C[N+]1(C)CCCCC1)C[N+]1(C)CCCCC1	ZINC000100757726	519966974	/nfs/dbraw/zinc/96/69/74/519966974.db2.gz	MAKNKUOLEXNZCY-UHFFFAOYSA-N	2	0	382.633	4.520	50	30		GJEARP
C=CC[NH+](CC=C)Cc1c(O)ccc2c1ccc(O)c2C[NH+](CC=C)CC=C	ZINC000001505910	570585422	/nfs/dbraw/zinc/58/54/22/570585422.db2.gz	NDDXFDZMKPIPHG-UHFFFAOYSA-N	2	0	378.516	4.599	50	30		GJEARP
CN(C)c1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000102891535	522131596	/nfs/dbraw/zinc/13/15/96/522131596.db2.gz	TZTVWMFSHHFTPL-GAHATOAQSA-N	2	0	378.564	4.917	50	30		GJEARP
CC=C1C[N@+]2(C)CC[C@]34c5ccccc5N=C3C(=C[NH2+]Nc3ccccc3)[C@H]1C[C@@H]42	ZINC000253487485	717165865	/nfs/dbraw/zinc/16/58/65/717165865.db2.gz	KZDYDLFVHMLGCE-LWNMXTOFSA-N	2	0	397.546	4.901	50	30	biogenic	GJEARP
CC=C1C[N@@H+]2CC[C@]34c5ccccc5N=C3C(=C[NH2+]Nc3ccccc3)[C@H]1C[C@H]24	ZINC000055065576	518556454	/nfs/dbraw/zinc/55/64/54/518556454.db2.gz	OJZNJHNPLYYHOW-UYYGVTAYSA-N	2	0	382.511	4.756	50	30	biogenic	GJEARP
CC=C1C[N@@+]2(C)CC[C@]34c5ccccc5N=C3C(=C[NH2+]Nc3ccccc3)[C@H]1C[C@@H]42	ZINC000253487486	717165848	/nfs/dbraw/zinc/16/58/48/717165848.db2.gz	KZDYDLFVHMLGCE-SAJJPLCNSA-N	2	0	397.546	4.901	50	30	biogenic	GJEARP
CCCCCCCCCOCn1c2ccccc2n(CC[NH+](CC)CC)c1=[NH2+]	ZINC000100518476	520030188	/nfs/dbraw/zinc/03/01/88/520030188.db2.gz	CHEZSPWXEBITAB-UHFFFAOYSA-N	2	0	388.600	4.989	50	30		GJEARP