smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[NH+](C)C	ZINC000161300792	402381597	/nfs/dbraw/zinc/38/15/97/402381597.db2.gz	FOCYYFGDSZFRDJ-IAGOWNOFSA-N	1	3	321.465	2.144	10	70		DEIEHO
CCOCCN1CCN(CCC[NH+]2CCCCC2)C[C@@H]1CC	ZINC000161344920	402384266	/nfs/dbraw/zinc/38/42/66/402384266.db2.gz	QARQWKOCCCTBQZ-SFHVURJKSA-N	1	3	311.514	2.295	10	70		DEIEHO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1	ZINC000161235100	402379006	/nfs/dbraw/zinc/37/90/06/402379006.db2.gz	RCDGLULTMGDLGJ-PBHICJAKSA-N	1	3	303.450	2.207	10	70		DEIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1	ZINC000161235100	402379010	/nfs/dbraw/zinc/37/90/10/402379010.db2.gz	RCDGLULTMGDLGJ-PBHICJAKSA-N	1	3	303.450	2.207	10	70		DEIEHO
CCC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)[NH+](C)C	ZINC000161300451	402381541	/nfs/dbraw/zinc/38/15/41/402381541.db2.gz	FOCYYFGDSZFRDJ-IRXDYDNUSA-N	1	3	321.465	2.144	10	70		DEIEHO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(CN(C)C)cc1	ZINC000161225913	402378192	/nfs/dbraw/zinc/37/81/92/402378192.db2.gz	QJWAGIIDVMZPQF-KRWDZBQOSA-N	1	3	305.466	2.454	10	70		DEIEHO
CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1	ZINC000161235217	402379130	/nfs/dbraw/zinc/37/91/30/402379130.db2.gz	RCDGLULTMGDLGJ-YOEHRIQHSA-N	1	3	303.450	2.207	10	70		DEIEHO
CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1	ZINC000161235217	402379132	/nfs/dbraw/zinc/37/91/32/402379132.db2.gz	RCDGLULTMGDLGJ-YOEHRIQHSA-N	1	3	303.450	2.207	10	70		DEIEHO
CCN1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1	ZINC000160795664	402360821	/nfs/dbraw/zinc/36/08/21/402360821.db2.gz	IJARGUWGAFYUAX-QGZVFWFLSA-N	1	3	324.513	2.234	10	70		DEIEHO
CCN1CCC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1	ZINC000160795529	402360802	/nfs/dbraw/zinc/36/08/02/402360802.db2.gz	IJARGUWGAFYUAX-KRWDZBQOSA-N	1	3	324.513	2.234	10	70		DEIEHO
CCOCCN1CCN(CCC[NH+]2CCCCC2)C[C@H]1CC	ZINC000161344793	402383752	/nfs/dbraw/zinc/38/37/52/402383752.db2.gz	QARQWKOCCCTBQZ-GOSISDBHSA-N	1	3	311.514	2.295	10	70		DEIEHO
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(CN(C)C)cc2)[C@@H](C)C1	ZINC000161390032	402385814	/nfs/dbraw/zinc/38/58/14/402385814.db2.gz	NZXZYPPQLIKIKQ-YOEHRIQHSA-N	1	3	303.450	2.207	10	70		DEIEHO
CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(CN(C)C)cc2)[C@@H](C)C1	ZINC000161390032	402385815	/nfs/dbraw/zinc/38/58/15/402385815.db2.gz	NZXZYPPQLIKIKQ-YOEHRIQHSA-N	1	3	303.450	2.207	10	70		DEIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	ZINC000160004490	197379371	/nfs/dbraw/zinc/37/93/71/197379371.db2.gz	LGHRNULAFRGTNL-ZMSDIMECSA-N	1	3	322.497	2.031	10	70		DEIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1	ZINC000160004490	197379373	/nfs/dbraw/zinc/37/93/73/197379373.db2.gz	LGHRNULAFRGTNL-ZMSDIMECSA-N	1	3	322.497	2.031	10	70		DEIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	ZINC000160004216	197379448	/nfs/dbraw/zinc/37/94/48/197379448.db2.gz	LGHRNULAFRGTNL-YQQAZPJKSA-N	1	3	322.497	2.031	10	70		DEIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1	ZINC000160004216	197379450	/nfs/dbraw/zinc/37/94/50/197379450.db2.gz	LGHRNULAFRGTNL-YQQAZPJKSA-N	1	3	322.497	2.031	10	70		DEIEHO
CCC[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)N(C)C	ZINC000161504497	402389960	/nfs/dbraw/zinc/38/99/60/402389960.db2.gz	RQQJNZKQTCTGIW-GOSISDBHSA-N	1	3	317.477	2.281	10	70		DEIEHO
CCC[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)N(C)C	ZINC000161504497	402389962	/nfs/dbraw/zinc/38/99/62/402389962.db2.gz	RQQJNZKQTCTGIW-GOSISDBHSA-N	1	3	317.477	2.281	10	70		DEIEHO
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(CN(C)C)cc1	ZINC000161226043	402378171	/nfs/dbraw/zinc/37/81/71/402378171.db2.gz	QJWAGIIDVMZPQF-QGZVFWFLSA-N	1	3	305.466	2.454	10	70		DEIEHO
CCC[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N(C)C	ZINC000161307927	402381905	/nfs/dbraw/zinc/38/19/05/402381905.db2.gz	NMCFLXBZYZZGSI-QGZVFWFLSA-N	1	3	305.466	2.355	10	70		DEIEHO
CCC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N(C)C	ZINC000161307927	402381906	/nfs/dbraw/zinc/38/19/06/402381906.db2.gz	NMCFLXBZYZZGSI-QGZVFWFLSA-N	1	3	305.466	2.355	10	70		DEIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC000160004346	197379399	/nfs/dbraw/zinc/37/93/99/197379399.db2.gz	LGHRNULAFRGTNL-BFYDXBDKSA-N	1	3	322.497	2.031	10	70		DEIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1	ZINC000160004346	197379401	/nfs/dbraw/zinc/37/94/01/197379401.db2.gz	LGHRNULAFRGTNL-BFYDXBDKSA-N	1	3	322.497	2.031	10	70		DEIEHO
CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C	ZINC000161172463	520585238	/nfs/dbraw/zinc/58/52/38/520585238.db2.gz	KLOMVXMMFFUVRX-SFHVURJKSA-N	1	3	317.477	2.498	10	70		DEIEHO
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1	ZINC000161330256	402382922	/nfs/dbraw/zinc/38/29/22/402382922.db2.gz	HFMBIBNBNUKQLW-NUJGCVRESA-N	1	3	321.509	2.486	10	70		DEIEHO
CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1	ZINC000161330256	402382925	/nfs/dbraw/zinc/38/29/25/402382925.db2.gz	HFMBIBNBNUKQLW-NUJGCVRESA-N	1	3	321.509	2.486	10	70		DEIEHO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(CN(C)C)cc2)C1	ZINC000161389905	402385940	/nfs/dbraw/zinc/38/59/40/402385940.db2.gz	NZXZYPPQLIKIKQ-PBHICJAKSA-N	1	3	303.450	2.207	10	70		DEIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(CN(C)C)cc2)C1	ZINC000161389905	402385943	/nfs/dbraw/zinc/38/59/43/402385943.db2.gz	NZXZYPPQLIKIKQ-PBHICJAKSA-N	1	3	303.450	2.207	10	70		DEIEHO
CN(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1	ZINC000160592883	402353054	/nfs/dbraw/zinc/35/30/54/402353054.db2.gz	NCIQWLBXZPSLRB-GOSISDBHSA-N	1	3	305.441	2.428	10	70		DEIEHO
CN(CCN1CC[N@H+]2CCCC[C@@H]2C1)Cc1ccc(F)cc1	ZINC000160592883	402353058	/nfs/dbraw/zinc/35/30/58/402353058.db2.gz	NCIQWLBXZPSLRB-GOSISDBHSA-N	1	3	305.441	2.428	10	70		DEIEHO
CCC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C	ZINC000161172570	402376296	/nfs/dbraw/zinc/37/62/96/402376296.db2.gz	KLOMVXMMFFUVRX-GOSISDBHSA-N	1	3	317.477	2.498	10	70		DEIEHO
CCC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[NH+](C)C	ZINC000161300658	402381517	/nfs/dbraw/zinc/38/15/17/402381517.db2.gz	FOCYYFGDSZFRDJ-DLBZAZTESA-N	1	3	321.465	2.144	10	70		DEIEHO
CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)[NH+](C)C	ZINC000161300538	402381440	/nfs/dbraw/zinc/38/14/40/402381440.db2.gz	FOCYYFGDSZFRDJ-SJORKVTESA-N	1	3	321.465	2.144	10	70		DEIEHO
CCC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N(C)C	ZINC000161307787	402382277	/nfs/dbraw/zinc/38/22/77/402382277.db2.gz	NMCFLXBZYZZGSI-KRWDZBQOSA-N	1	3	305.466	2.355	10	70		DEIEHO
CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N(C)C	ZINC000161307787	402382279	/nfs/dbraw/zinc/38/22/79/402382279.db2.gz	NMCFLXBZYZZGSI-KRWDZBQOSA-N	1	3	305.466	2.355	10	70		DEIEHO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1	ZINC000160004089	197379323	/nfs/dbraw/zinc/37/93/23/197379323.db2.gz	LGHRNULAFRGTNL-HLLBOEOZSA-N	1	3	322.497	2.031	10	70		DEIEHO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1	ZINC000160004089	197379324	/nfs/dbraw/zinc/37/93/24/197379324.db2.gz	LGHRNULAFRGTNL-HLLBOEOZSA-N	1	3	322.497	2.031	10	70		DEIEHO
CCC[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)N(C)C	ZINC000161504371	402389902	/nfs/dbraw/zinc/38/99/02/402389902.db2.gz	RQQJNZKQTCTGIW-SFHVURJKSA-N	1	3	317.477	2.281	10	70		DEIEHO
CCC[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)N(C)C	ZINC000161504371	402389903	/nfs/dbraw/zinc/38/99/03/402389903.db2.gz	RQQJNZKQTCTGIW-SFHVURJKSA-N	1	3	317.477	2.281	10	70		DEIEHO