smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCC[NH+](C)C)ccc3n2)CC1	ZINC000020153544	568590850	/nfs/dbraw/zinc/59/08/50/568590850.db2.gz	FWOQORGCRAJKQQ-UHFFFAOYSA-N	2	0	400.596	2.944	50	30		HFEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)C[NH+](CC)CC)c(OC)c1	ZINC000012057079	518687994	/nfs/dbraw/zinc/68/79/94/518687994.db2.gz	TWOJCTZNXYRRED-FQEVSTJZSA-N	2	0	406.567	2.750	50	30		HFEARP
Cc1ccccc1NC(=O)C[N+]12CC[N+](CC(=O)Nc3ccccc3C)(CC1)CC2	ZINC000001768510	525243147	/nfs/dbraw/zinc/24/31/47/525243147.db2.gz	AERCPIWVFUTECX-UHFFFAOYSA-P	2	0	408.546	2.541	50	30		HFEARP
CCC[N+]1(CC#Cc2ccc(C#CC[N+]3(CCC)CCOCC3)cc2)CCOCC1	ZINC000001275216	568910217	/nfs/dbraw/zinc/91/02/17/568910217.db2.gz	YIQUUXSWBMWVGY-UHFFFAOYSA-N	2	0	410.602	2.904	50	30		HFEARP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000012581961	568995347	/nfs/dbraw/zinc/99/53/47/568995347.db2.gz	LYGAILULQXAAIH-OAQYLSRUSA-N	2	0	404.551	2.709	50	30		HFEARP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)C[NH+](CC)CC)c(OC)c1	ZINC000012057077	518687396	/nfs/dbraw/zinc/68/73/96/518687396.db2.gz	TWOJCTZNXYRRED-HXUWFJFHSA-N	2	0	406.567	2.750	50	30		HFEARP
CN(CC[NH+]1CCCC1)CC(C)(C)C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000108150350	560898185	/nfs/dbraw/zinc/89/81/85/560898185.db2.gz	GBILJLCFBSCZGB-IBGZPJMESA-N	2	0	417.623	2.711	50	30		HFEARP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000012581952	568995164	/nfs/dbraw/zinc/99/51/64/568995164.db2.gz	LYGAILULQXAAIH-NRFANRHFSA-N	2	0	404.551	2.709	50	30		HFEARP
CC(C)N(C(=O)C[N+]12CC[N+](CC(=O)c3ccccc3)(CC1)CC2)c1ccccc1	ZINC000003285979	568872571	/nfs/dbraw/zinc/87/25/71/568872571.db2.gz	CTLUABNOHXUHHS-UHFFFAOYSA-N	2	0	407.558	2.972	50	30		HFEARP
CN(CC[NH+]1CCCC1)CC(C)(C)C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000095452041	568615103	/nfs/dbraw/zinc/61/51/03/568615103.db2.gz	GBILJLCFBSCZGB-LJQANCHMSA-N	2	0	417.623	2.711	50	30		HFEARP