smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)COc1ccc(N2CCNCC2)cc1	ZINC000019688495	132326258	/nfs/dbraw/zinc/32/62/58/132326258.db2.gz	GXOVNBCESPLCKM-UHFFFAOYSA-N	0	3	235.287	-0.040	10	10		BBCEHN
COc1cccc(CNCC(N)=O)c1O	ZINC000022143972	175263309	/nfs/dbraw/zinc/26/33/09/175263309.db2.gz	WFEKJKQWWQEJCG-UHFFFAOYSA-N	0	3	210.233	-0.024	10	10		BBCEHN
CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1	ZINC000040457811	173296447	/nfs/dbraw/zinc/29/64/47/173296447.db2.gz	VSDCUWQCRMWTPT-ZETCQYMHSA-N	0	3	210.233	-0.286	10	10		BBCEHN
NC(=O)CNCc1cc2c(cc1O)OCO2	ZINC000042878957	181235589	/nfs/dbraw/zinc/23/55/89/181235589.db2.gz	YNYGGNOXDNLRHN-UHFFFAOYSA-N	0	3	224.216	-0.304	10	10		BBCEHN
[O-]c1cc(O)ccc1C[NH2+]C[C@H](O)CO	ZINC000083347257	183111090	/nfs/dbraw/zinc/11/10/90/183111090.db2.gz	VVRWQINGNFAGCO-VIFPVBQESA-N	0	3	213.233	-0.459	10	10		BBCEHN
[O-]c1cc(O)ccc1C[NH2+]C[C@@H](O)CO	ZINC000083347258	183143110	/nfs/dbraw/zinc/14/31/10/183143110.db2.gz	VVRWQINGNFAGCO-SECBINFHSA-N	0	3	213.233	-0.459	10	10		BBCEHN
OC[C@H](O)CNCc1ccc(O)c(O)c1	ZINC000083347260	537894905	/nfs/dbraw/zinc/89/49/05/537894905.db2.gz	RIRHGDVESSYMGH-MRVPVSSYSA-N	0	3	213.233	-0.459	10	10		BBCEHN
[O-]c1c(O)cccc1C[NH2+]C[C@H](O)CO	ZINC000083347261	183111964	/nfs/dbraw/zinc/11/19/64/183111964.db2.gz	ZJWNKZIOMDEIKS-QMMMGPOBSA-N	0	3	213.233	-0.459	10	10		BBCEHN
[O-]c1c(O)cccc1C[NH2+]C[C@@H](O)CO	ZINC000083347262	183142578	/nfs/dbraw/zinc/14/25/78/183142578.db2.gz	ZJWNKZIOMDEIKS-MRVPVSSYSA-N	0	3	213.233	-0.459	10	10		BBCEHN
[O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)CO	ZINC000083348134	538469744	/nfs/dbraw/zinc/46/97/44/538469744.db2.gz	PKRSXYRNEKZYGF-SECBINFHSA-N	0	3	215.224	-0.026	10	10		BBCEHN
COc1cccc(C[NH2+]C[C@H](O)CO)c1[O-]	ZINC000083355255	175266147	/nfs/dbraw/zinc/26/61/47/175266147.db2.gz	KOJMOWRJCJIDDY-VIFPVBQESA-N	0	3	227.260	-0.156	10	10		BBCEHN
COc1cccc(C[NH2+]C[C@@H](O)CO)c1[O-]	ZINC000083355256	175264683	/nfs/dbraw/zinc/26/46/83/175264683.db2.gz	KOJMOWRJCJIDDY-SECBINFHSA-N	0	3	227.260	-0.156	10	10		BBCEHN
COc1ccc(C[NH2+]C[C@@H](O)CO)c([O-])c1	ZINC000083355262	175107510	/nfs/dbraw/zinc/10/75/10/175107510.db2.gz	ZVQUDSNQSSINHG-SECBINFHSA-N	0	3	227.260	-0.156	10	10		BBCEHN
COc1ccc([O-])c(C[NH2+]C[C@H](O)CO)c1	ZINC000083355265	175159533	/nfs/dbraw/zinc/15/95/33/175159533.db2.gz	PYMRQJSMEOONQV-VIFPVBQESA-N	0	3	227.260	-0.156	10	10		BBCEHN
COc1ccc([O-])c(C[NH2+]C[C@@H](O)CO)c1	ZINC000083355266	175159035	/nfs/dbraw/zinc/15/90/35/175159035.db2.gz	PYMRQJSMEOONQV-SECBINFHSA-N	0	3	227.260	-0.156	10	10		BBCEHN
CNCC(=O)NCCc1ccc(O)c(O)c1	ZINC000193134725	173328650	/nfs/dbraw/zinc/32/86/50/173328650.db2.gz	FJTKSSLAAFCEPW-UHFFFAOYSA-N	0	3	224.260	-0.024	10	10		BBCEHN