smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(-c2ccc(/C=N/N3CC(=O)[N-]C3=O)s2)ccc1O	ZINC000029044109	202180033	/nfs/dbraw/zinc/18/00/33/202180033.db2.gz	HCCFUPRXKRNKCF-OMCISZLKSA-N	-2	3	345.336	1.705	1	30		EDEFHL
COCCNC(=O)/C(Cc1ccc([O-])c(Br)c1)=N/[O-]	ZINC000072111434	216010356	/nfs/dbraw/zinc/01/03/56/216010356.db2.gz	WBAMECLXOKCJOZ-XNTDXEJSSA-N	-2	3	331.166	1.290	1	30		EDEFHL
CCO[P@](=O)([O-])[C@@H](N[C@@H](CS)C(=O)[O-])c1ccccc1[O-]	ZINC000073197466	216362559	/nfs/dbraw/zinc/36/25/59/216362559.db2.gz	DNVXNOAVYRTSSQ-GXSJLCMTSA-N	-3	3	335.318	1.585	1	30		EDEFHL
O=C([O-])[C@H]1CCCCN1C(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1	ZINC000026574113	202145651	/nfs/dbraw/zinc/14/56/51/202145651.db2.gz	JWBDKOVIYGTOQN-ZIAGYGMSSA-N	-2	3	334.372	1.207	1	30		EDEFHL
O=C([O-])c1cc(-c2ccc(/C=N/N3CC(=O)[N-]C3=O)o2)ccc1O	ZINC000029044121	202180642	/nfs/dbraw/zinc/18/06/42/202180642.db2.gz	SAOOIMQYHXRKKB-OMCISZLKSA-N	-2	3	329.268	1.236	1	30		EDEFHL
COc1cc([O-])c2c(c1C(N)=O)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000040403365	213299462	/nfs/dbraw/zinc/29/94/62/213299462.db2.gz	MWCPUXRKEXHROH-QGZVFWFLSA-N	-2	3	345.307	1.018	1	30		EDEFHL
COc1cc([O-])c2c(c1C(N)=O)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000040403365	213299465	/nfs/dbraw/zinc/29/94/65/213299465.db2.gz	MWCPUXRKEXHROH-QGZVFWFLSA-N	-2	3	345.307	1.018	1	30		EDEFHL
COc1cc([O-])c2c(c1C(N)=O)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000040403365	213299467	/nfs/dbraw/zinc/29/94/67/213299467.db2.gz	MWCPUXRKEXHROH-QGZVFWFLSA-N	-2	3	345.307	1.018	1	30		EDEFHL
O=C(CCCC1CCN(S(=O)(=O)c2ccccc2[O-])CC1)N[O-]	ZINC000073169390	216359983	/nfs/dbraw/zinc/35/99/83/216359983.db2.gz	OIVICTQZQBGRSE-UHFFFAOYSA-N	-2	3	342.417	1.469	1	30		EDEFHL
O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1	ZINC000026508845	202145237	/nfs/dbraw/zinc/14/52/37/202145237.db2.gz	JWBDKOVIYGTOQN-KGLIPLIRSA-N	-2	3	334.372	1.207	1	30		EDEFHL
CCO[P@](=O)([O-])[C@H](N[C@@H](CS)C(=O)[O-])c1ccccc1[O-]	ZINC000073197465	216362455	/nfs/dbraw/zinc/36/24/55/216362455.db2.gz	DNVXNOAVYRTSSQ-ONGXEEELSA-N	-3	3	335.318	1.585	1	30		EDEFHL