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)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C	ZINC000161420032	496173062	/nfs/dbraw/zinc/17/30/62/496173062.db2.gz	FXLBZZIDKGRUKG-SFHVURJKSA-N	2	2	351.922	3.105	10	70		FGIELP
CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C	ZINC000161420032	496173068	/nfs/dbraw/zinc/17/30/68/496173068.db2.gz	FXLBZZIDKGRUKG-SFHVURJKSA-N	2	2	351.922	3.105	10	70		FGIELP
c1oc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)nc1-c1ccccc1	ZINC000160965306	496075624	/nfs/dbraw/zinc/07/56/24/496075624.db2.gz	AISWFVWNQUUYPM-UHFFFAOYSA-N	2	2	368.525	3.335	10	70		FGIELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159464206	495737454	/nfs/dbraw/zinc/73/74/54/495737454.db2.gz	WMDIOOWKNUTTEO-SFHVURJKSA-N	2	2	360.546	3.367	10	70		FGIELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159464206	495737461	/nfs/dbraw/zinc/73/74/61/495737461.db2.gz	WMDIOOWKNUTTEO-SFHVURJKSA-N	2	2	360.546	3.367	10	70		FGIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1	ZINC000160023416	495865703	/nfs/dbraw/zinc/86/57/03/495865703.db2.gz	MOFNXZCBMRYTBO-CQSZACIVSA-N	2	2	374.286	3.495	10	70		FGIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1	ZINC000160023416	495865708	/nfs/dbraw/zinc/86/57/08/495865708.db2.gz	MOFNXZCBMRYTBO-CQSZACIVSA-N	2	2	374.286	3.495	10	70		FGIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1	ZINC000160023416	495865718	/nfs/dbraw/zinc/86/57/18/495865718.db2.gz	MOFNXZCBMRYTBO-CQSZACIVSA-N	2	2	374.286	3.495	10	70		FGIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1	ZINC000160023416	495865722	/nfs/dbraw/zinc/86/57/22/495865722.db2.gz	MOFNXZCBMRYTBO-CQSZACIVSA-N	2	2	374.286	3.495	10	70		FGIELP
CCC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C	ZINC000161420171	496173792	/nfs/dbraw/zinc/17/37/92/496173792.db2.gz	FXLBZZIDKGRUKG-GOSISDBHSA-N	2	2	351.922	3.105	10	70		FGIELP
CCC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+](C)C	ZINC000161420171	496173796	/nfs/dbraw/zinc/17/37/96/496173796.db2.gz	FXLBZZIDKGRUKG-GOSISDBHSA-N	2	2	351.922	3.105	10	70		FGIELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159464067	495737532	/nfs/dbraw/zinc/73/75/32/495737532.db2.gz	WMDIOOWKNUTTEO-GOSISDBHSA-N	2	2	360.546	3.367	10	70		FGIELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159464067	495737540	/nfs/dbraw/zinc/73/75/40/495737540.db2.gz	WMDIOOWKNUTTEO-GOSISDBHSA-N	2	2	360.546	3.367	10	70		FGIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1	ZINC000160023293	495866362	/nfs/dbraw/zinc/86/63/62/495866362.db2.gz	MOFNXZCBMRYTBO-AWEZNQCLSA-N	2	2	374.286	3.495	10	70		FGIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1	ZINC000160023293	495866367	/nfs/dbraw/zinc/86/63/67/495866367.db2.gz	MOFNXZCBMRYTBO-AWEZNQCLSA-N	2	2	374.286	3.495	10	70		FGIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccc(Br)cc2[nH]1	ZINC000160023293	495866372	/nfs/dbraw/zinc/86/63/72/495866372.db2.gz	MOFNXZCBMRYTBO-AWEZNQCLSA-N	2	2	374.286	3.495	10	70		FGIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccc(Br)cc2[nH]1	ZINC000160023293	495866379	/nfs/dbraw/zinc/86/63/79/495866379.db2.gz	MOFNXZCBMRYTBO-AWEZNQCLSA-N	2	2	374.286	3.495	10	70		FGIELP