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-])Cn1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2c2c1CCC2	ZINC000028335539	207340225	/nfs/dbraw/zinc/34/02/25/207340225.db2.gz	PCIBERRZCVARIA-UHFFFAOYSA-N	-2	1	388.420	3.155	1	0		GGAFML
O=C(c1ccccc1[O-])n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC000066260268	211001655	/nfs/dbraw/zinc/00/16/55/211001655.db2.gz	FBDPXQQZUGOMFH-UHFFFAOYSA-N	-2	1	394.408	3.344	1	0		GGAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](C[P@](=O)([O-])O)C(=O)[O-]	ZINC000013742382	221286933	/nfs/dbraw/zinc/28/69/33/221286933.db2.gz	WNJLAHFABBCSSD-PKZBUFLYSA-N	-2	1	387.413	3.153	1	0		GGAFML
Cc1ccc(-c2ccc(CCC[C@@H]([P@](=O)([O-])O)S(=O)(=O)[O-])cc2)cc1	ZINC000013746360	221287046	/nfs/dbraw/zinc/28/70/46/221287046.db2.gz	VZDJYSNFOJHTJU-KRWDZBQOSA-N	-2	1	384.390	3.376	1	0		GGAFML
O=[P@]([O-])(O)[C@H](CCCc1cccc(Nc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000040898513	205074492	/nfs/dbraw/zinc/07/44/92/205074492.db2.gz	CSBMAVBLBVKTJH-INIZCTEOSA-N	-2	1	385.378	3.145	1	0		GGAFML
O=[P@@]([O-])(O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)[P@@](=O)([O-])CO	ZINC000013742090	210088502	/nfs/dbraw/zinc/08/85/02/210088502.db2.gz	UWJXVPCIZBZVJD-KRWDZBQOSA-N	-2	1	384.305	3.400	1	0		GGAFML
O=C([O-])COc1cc(OCc2ccccc2)ccc1C=C1SC(=O)[N-]C1=O	ZINC000072109265	222205823	/nfs/dbraw/zinc/20/58/23/222205823.db2.gz	HJWVWLYWCSVNKP-PXNMLYILSA-N	-2	1	385.397	3.053	1	0		GGAFML