smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)cc1	ZINC000754099878	1072094205	/nfs/dbraw/zinc/09/42/05/1072094205.db2.gz	ZKQLQDCLZNDXBM-MSOLQXFVSA-N	1	0	417.510	-1.179	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)cc1	ZINC000754099892	1072094439	/nfs/dbraw/zinc/09/44/39/1072094439.db2.gz	ZKQLQDCLZNDXBM-QZTJIDSGSA-N	1	0	417.510	-1.179	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)cc1	ZINC000754099893	1072094313	/nfs/dbraw/zinc/09/43/13/1072094313.db2.gz	ZKQLQDCLZNDXBM-ROUUACIJSA-N	1	0	417.510	-1.179	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)cc1	ZINC000754099894	1072094371	/nfs/dbraw/zinc/09/43/71/1072094371.db2.gz	ZKQLQDCLZNDXBM-ZWKOTPCHSA-N	1	0	417.510	-1.179	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1	ZINC000779222852	1072039465	/nfs/dbraw/zinc/03/94/65/1072039465.db2.gz	XLTGVWCVPRMBMP-KRWDZBQOSA-N	1	0	413.544	-1.001	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1	ZINC000779222853	1072039280	/nfs/dbraw/zinc/03/92/80/1072039280.db2.gz	XLTGVWCVPRMBMP-QGZVFWFLSA-N	1	0	413.544	-1.001	20	10		HACDRO
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+]	ZINC001161135160	1072219662	/nfs/dbraw/zinc/21/96/62/1072219662.db2.gz	UNUWDEMAJDHYCS-UHFFFAOYSA-N	1	0	406.487	-1.592	20	10		HACDRO
COc1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)CC2)cc1	ZINC001307927257	1072373507	/nfs/dbraw/zinc/37/35/07/1072373507.db2.gz	BODDADCELBQUAR-CGTJXYLNSA-N	1	0	405.499	-1.303	20	10		HACDRO
COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)CC2)cc1	ZINC001307927258	1072373558	/nfs/dbraw/zinc/37/35/58/1072373558.db2.gz	BODDADCELBQUAR-NXHRZFHOSA-N	1	0	405.499	-1.303	20	10		HACDRO
COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)CC2)cc1	ZINC001307927259	1072373517	/nfs/dbraw/zinc/37/35/17/1072373517.db2.gz	BODDADCELBQUAR-RYQLBKOJSA-N	1	0	405.499	-1.303	20	10		HACDRO
COc1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)CC2)cc1	ZINC001307927260	1072373453	/nfs/dbraw/zinc/37/34/53/1072373453.db2.gz	BODDADCELBQUAR-SZMVWBNQSA-N	1	0	405.499	-1.303	20	10		HACDRO
CNC(=O)CN(CC(=O)NC)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC001620554931	1072666452	/nfs/dbraw/zinc/66/64/52/1072666452.db2.gz	HMBSLKZREGPKPK-KRWDZBQOSA-N	1	0	407.515	-1.028	20	10		HACDRO
CNC(=O)CN(CC(=O)NC)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC001620554932	1072666656	/nfs/dbraw/zinc/66/66/56/1072666656.db2.gz	HMBSLKZREGPKPK-QGZVFWFLSA-N	1	0	407.515	-1.028	20	10		HACDRO
NC(=O)[C@H]1C[NH+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(N)=O	ZINC001643814350	1072733003	/nfs/dbraw/zinc/73/30/03/1072733003.db2.gz	IYKJOJVWIROXOD-KBPBESRZSA-N	1	0	407.446	-1.203	20	10		HACDRO
NC(=O)[C@H]1C[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(N)=O	ZINC001643814351	1072733186	/nfs/dbraw/zinc/73/31/86/1072733186.db2.gz	IYKJOJVWIROXOD-OKILXGFUSA-N	1	0	407.446	-1.203	20	10		HACDRO
NC(=O)[C@@H]1C[NH+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(N)=O	ZINC001643814352	1072733018	/nfs/dbraw/zinc/73/30/18/1072733018.db2.gz	IYKJOJVWIROXOD-ZIAGYGMSSA-N	1	0	407.446	-1.203	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@H](O)CN3CCN(CC(N)=O)C(=O)C3)CC2)cc1	ZINC001654691554	1072754080	/nfs/dbraw/zinc/75/40/80/1072754080.db2.gz	VJTCFFWPXRLKCV-KRWDZBQOSA-N	1	0	405.499	-1.192	20	10		HACDRO
COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCN(CC(N)=O)C(=O)C3)CC2)cc1	ZINC001654691555	1072754180	/nfs/dbraw/zinc/75/41/80/1072754180.db2.gz	VJTCFFWPXRLKCV-QGZVFWFLSA-N	1	0	405.499	-1.192	20	10		HACDRO