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)NCc1ccccc1C[NH+]1CCN(CC)CC1)[NH+](C)C	ZINC000160023989	546000490	/nfs/dbraw/zinc/00/04/90/546000490.db2.gz	NVMMHETURUOVGJ-HXUWFJFHSA-N	2	2	360.546	2.171	10	70		FEIELP
CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)[NH+](C)C	ZINC000161267024	326993718	/nfs/dbraw/zinc/99/37/18/326993718.db2.gz	CWPAHMBTVYVOBR-KRWDZBQOSA-N	2	2	351.466	2.209	10	70		FEIELP
CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)[NH+](C)C	ZINC000161267146	546115487	/nfs/dbraw/zinc/11/54/87/546115487.db2.gz	CWPAHMBTVYVOBR-QGZVFWFLSA-N	2	2	351.466	2.209	10	70		FEIELP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1	ZINC000160232474	546020676	/nfs/dbraw/zinc/02/06/76/546020676.db2.gz	XRHGUBRRZFBYPL-QRQLOZEOSA-N	2	2	367.497	2.370	10	70		FEIELP
CCC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1)[NH+](C)C	ZINC000160023894	546001358	/nfs/dbraw/zinc/00/13/58/546001358.db2.gz	NVMMHETURUOVGJ-FQEVSTJZSA-N	2	2	360.546	2.171	10	70		FEIELP
CN(CC[NH+](C)C1CC[NH+](C)CC1)CC[N@H+](C)Cc1ccc(F)cc1	ZINC000161179512	546106919	/nfs/dbraw/zinc/10/69/19/546106919.db2.gz	UEQHHTKMVJJFOZ-UHFFFAOYSA-N	3	2	350.526	2.215	10	70		FEIELP
CN(CC[NH+](C)C1CC[NH+](C)CC1)CC[N@@H+](C)Cc1ccc(F)cc1	ZINC000161179512	546106923	/nfs/dbraw/zinc/10/69/23/546106923.db2.gz	UEQHHTKMVJJFOZ-UHFFFAOYSA-N	3	2	350.526	2.215	10	70		FEIELP
CCC(CC)(C[NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1	ZINC000161288846	546117167	/nfs/dbraw/zinc/11/71/67/546117167.db2.gz	IGXNTHBFQAVWQE-HNNXBMFYSA-N	2	2	353.532	2.345	10	70		FEIELP
CCC(CC)(C[NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1	ZINC000161288963	326994694	/nfs/dbraw/zinc/99/46/94/326994694.db2.gz	IGXNTHBFQAVWQE-OAHLLOKOSA-N	2	2	353.532	2.345	10	70		FEIELP