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-])CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc21	ZINC000006578005	562948026	/nfs/dbraw/zinc/94/80/26/562948026.db2.gz	UVQFENVRRAERSI-UHFFFAOYSA-N	-2	1	432.454	2.013	3	0		IEAFML
CCCCCNC(=O)[C@H](N)Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000026188035	563029915	/nfs/dbraw/zinc/02/99/15/563029915.db2.gz	IVGIJUNTVQKKSX-GOSISDBHSA-N	-2	1	441.484	2.310	1	0		IEAFML
O=C([O-])CN1C[C@H](c2ccsc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029571901	563083039	/nfs/dbraw/zinc/08/30/39/563083039.db2.gz	QOMSTJUDHMNZIH-OKZBNKHCSA-N	-2	1	448.566	2.493	1	0		IEAFML
O=C([O-])CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@H]1c1cccs1	ZINC000026152764	563029052	/nfs/dbraw/zinc/02/90/52/563029052.db2.gz	DDZAWUSTAAZYBS-ULQDDVLXSA-N	-2	1	448.566	2.493	1	0		IEAFML
O=C([O-])CN1c2ccccc2CC[C@H](N[C@@H](CSCCc2ccccc2)C(=O)[O-])C1=O	ZINC000029339015	563078388	/nfs/dbraw/zinc/07/83/88/563078388.db2.gz	DHQXBKIHWXJRQL-OALUTQOASA-N	-2	1	442.537	2.438	1	0		IEAFML
CC(=O)c1c([O-])c(C(C)=O)c(O)c(Cc2c([O-])c(C(C)=O)c(O)c(C(C)=O)c2O)c1O	ZINC000014721974	563014926	/nfs/dbraw/zinc/01/49/26/563014926.db2.gz	OQALYYVWRAPBOC-UHFFFAOYSA-N	-2	1	432.381	2.321	1	0		IEAFML
NC(=O)[C@H](Cc1ccccc1)N[P@](=O)([O-])[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000027728055	563046087	/nfs/dbraw/zinc/04/60/87/563046087.db2.gz	RTBALMSTNAERMH-HOTGVXAUSA-N	-2	1	443.362	2.105	1	0		IEAFML
O=C([O-])CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@H]1c1ccccc1	ZINC000029570160	563083051	/nfs/dbraw/zinc/08/30/51/563083051.db2.gz	HGENZIJEOCHEPV-UFYCRDLUSA-N	-2	1	442.537	2.432	1	0		IEAFML
O=C([O-])CN1C[C@H](c2ccccc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029571414	563083061	/nfs/dbraw/zinc/08/30/61/563083061.db2.gz	RYEAECHOAWRETF-SLFFLAALSA-N	-2	1	442.537	2.432	1	0		IEAFML
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)CO[N-]C(=O)CCc1ccccc1	ZINC000058583288	563145274	/nfs/dbraw/zinc/14/52/74/563145274.db2.gz	NRCIXOJRQMZJIV-SFHVURJKSA-N	-2	1	428.441	2.006	1	0		IEAFML
COc1ccc(-c2cc(=O)c3c([O-])c([C@H]4C[C@@H](O)[C@H](O)[C@H](C)O4)c([O-])cc3o2)cc1O	ZINC000040873270	291334883	/nfs/dbraw/zinc/33/48/83/291334883.db2.gz	VOXHZFGNVVKUEG-NRGAKEJDSA-N	-2	1	430.409	2.157	1	0	biogenic,in-vitro	IEAFML
CCCCCNC(=O)[C@@H](N)Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000013519777	562991232	/nfs/dbraw/zinc/99/12/32/562991232.db2.gz	IVGIJUNTVQKKSX-SFHVURJKSA-N	-2	1	441.484	2.310	1	0		IEAFML
O=C([O-])[C@H]1[C@@H](C(=O)[O-])NCCN1C(=O)c1ccc(-c2ccccc2Br)cc1	ZINC000013642329	562998509	/nfs/dbraw/zinc/99/85/09/562998509.db2.gz	VIAYYCHNLYHTSB-JKSUJKDBSA-N	-2	1	433.258	2.068	1	0		IEAFML
O=C([O-])CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@@H]1c1ccccc1	ZINC000026157766	563029137	/nfs/dbraw/zinc/02/91/37/563029137.db2.gz	HGENZIJEOCHEPV-SLFFLAALSA-N	-2	1	442.537	2.432	1	0		IEAFML
O=C([O-])CN1c2ccccc2CC[C@H](N[C@@H](CSCc2ccccc2)C(=O)[O-])C1=O	ZINC000029392657	563079118	/nfs/dbraw/zinc/07/91/18/563079118.db2.gz	XCJANLVRPWZEHK-ROUUACIJSA-N	-2	1	428.510	2.395	1	0		IEAFML
O=C([O-])CN1C[C@@H](c2ccccc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029569219	563082790	/nfs/dbraw/zinc/08/27/90/563082790.db2.gz	RYEAECHOAWRETF-UFYCRDLUSA-N	-2	1	442.537	2.432	1	0		IEAFML
O=C([O-])CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)[O-])CSC[C@@H]1c1cccs1	ZINC000026152755	563029039	/nfs/dbraw/zinc/02/90/39/563029039.db2.gz	DDZAWUSTAAZYBS-YESZJQIVSA-N	-2	1	448.566	2.493	1	0		IEAFML
NC(=O)[C@H](Cc1ccccc1)N[P@](=O)([O-])[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000027728064	563046046	/nfs/dbraw/zinc/04/60/46/563046046.db2.gz	RTBALMSTNAERMH-JKSUJKDBSA-N	-2	1	443.362	2.105	1	0		IEAFML
O=C([O-])CN1C[C@@H](c2ccsc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029569479	563082984	/nfs/dbraw/zinc/08/29/84/563082984.db2.gz	QOMSTJUDHMNZIH-BZSNNMDCSA-N	-2	1	448.566	2.493	1	0		IEAFML