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)(CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)[NH+]1CCOCC1	ZINC000161089704	488794745	/nfs/dbraw/zinc/79/47/45/488794745.db2.gz	ZIZGSPYWYZLTGU-APWZRJJASA-N	2	2	353.507	0.840	10	70		FCIELP
CC(C)(CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)[NH+]1CCOCC1	ZINC000161089704	488794748	/nfs/dbraw/zinc/79/47/48/488794748.db2.gz	ZIZGSPYWYZLTGU-APWZRJJASA-N	2	2	353.507	0.840	10	70		FCIELP
O=C(C[NH+]1CCN(c2ccccn2)CC1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160442632	488791374	/nfs/dbraw/zinc/79/13/74/488791374.db2.gz	XXRACTHKMUSACO-KRWDZBQOSA-N	2	2	361.490	0.167	10	70		FCIELP
C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1	ZINC000159447056	488785187	/nfs/dbraw/zinc/78/51/87/488785187.db2.gz	VKRSECBMLPNLGL-INIZCTEOSA-N	2	2	365.522	0.572	10	70		FCIELP
C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1	ZINC000159447056	488785188	/nfs/dbraw/zinc/78/51/88/488785188.db2.gz	VKRSECBMLPNLGL-INIZCTEOSA-N	2	2	365.522	0.572	10	70		FCIELP
C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1	ZINC000159446901	488785385	/nfs/dbraw/zinc/78/53/85/488785385.db2.gz	VKRSECBMLPNLGL-MRXNPFEDSA-N	2	2	365.522	0.572	10	70		FCIELP
C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1	ZINC000159446901	488785386	/nfs/dbraw/zinc/78/53/86/488785386.db2.gz	VKRSECBMLPNLGL-MRXNPFEDSA-N	2	2	365.522	0.572	10	70		FCIELP
COC(=O)Cn1cc(CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nn1	ZINC000160079642	488789198	/nfs/dbraw/zinc/78/91/98/488789198.db2.gz	XTYUSNVIGNQZSK-QGZVFWFLSA-N	2	2	364.494	0.096	10	70		FCIELP
COC(=O)Cn1cc(CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nn1	ZINC000160079642	488789199	/nfs/dbraw/zinc/78/91/99/488789199.db2.gz	XTYUSNVIGNQZSK-QGZVFWFLSA-N	2	2	364.494	0.096	10	70		FCIELP
COC(=O)Cn1cc(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nn1	ZINC000160079769	488789404	/nfs/dbraw/zinc/78/94/04/488789404.db2.gz	XTYUSNVIGNQZSK-KRWDZBQOSA-N	2	2	364.494	0.096	10	70		FCIELP
COC(=O)Cn1cc(CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nn1	ZINC000160079769	488789406	/nfs/dbraw/zinc/78/94/06/488789406.db2.gz	XTYUSNVIGNQZSK-KRWDZBQOSA-N	2	2	364.494	0.096	10	70		FCIELP
C[N@H+](CCN1CC[NH+](CCS(N)(=O)=O)CC1)Cc1ccc(F)cc1	ZINC000160629753	488792693	/nfs/dbraw/zinc/79/26/93/488792693.db2.gz	MJRHVNIHIRTIII-UHFFFAOYSA-N	2	2	358.483	0.164	10	70		FCIELP
C[N@@H+](CCN1CC[NH+](CCS(N)(=O)=O)CC1)Cc1ccc(F)cc1	ZINC000160629753	488792695	/nfs/dbraw/zinc/79/26/95/488792695.db2.gz	MJRHVNIHIRTIII-UHFFFAOYSA-N	2	2	358.483	0.164	10	70		FCIELP
CC(C)(CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[NH+]1CCOCC1	ZINC000161089589	488794792	/nfs/dbraw/zinc/79/47/92/488794792.db2.gz	ZIZGSPYWYZLTGU-VQIMIIECSA-N	2	2	353.507	0.840	10	70		FCIELP
CC(C)(CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[NH+]1CCOCC1	ZINC000161089589	488794794	/nfs/dbraw/zinc/79/47/94/488794794.db2.gz	ZIZGSPYWYZLTGU-VQIMIIECSA-N	2	2	353.507	0.840	10	70		FCIELP
CCC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC	ZINC000160285791	488790469	/nfs/dbraw/zinc/79/04/69/488790469.db2.gz	HHBGEOSDGSRPNN-IAGOWNOFSA-N	2	2	356.511	0.849	10	70		FCIELP
CCC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC	ZINC000160285791	488790468	/nfs/dbraw/zinc/79/04/68/488790468.db2.gz	HHBGEOSDGSRPNN-IAGOWNOFSA-N	2	2	356.511	0.849	10	70		FCIELP
CCC[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1CCOC	ZINC000160285923	488790206	/nfs/dbraw/zinc/79/02/06/488790206.db2.gz	HHBGEOSDGSRPNN-SJORKVTESA-N	2	2	356.511	0.849	10	70		FCIELP
CCC[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1CCOC	ZINC000160285923	488790209	/nfs/dbraw/zinc/79/02/09/488790209.db2.gz	HHBGEOSDGSRPNN-SJORKVTESA-N	2	2	356.511	0.849	10	70		FCIELP