smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC(=O)N[C@H](c1ccccc1)[C@@H](C)OP(=O)([O-])[O-]	ZINC000043443333	205101908	/nfs/dbraw/zinc/10/19/08/205101908.db2.gz	FPDRUQTXTISTSU-PBHICJAKSA-N	-2	0	357.387	3.702	1	30		FHEFRL
CC(=Nc1c2c(ccc1O)nc1c2c(C)c2cn(C)ccc2c1C)C(=O)[O-]	ZINC000040503466	208255642	/nfs/dbraw/zinc/25/56/42/208255642.db2.gz	BRDFOHCZYLXEGE-WSDLNYQXSA-O	-2	0	362.409	3.798	1	30		FHEFRL
CCCCCCCC(=O)N(C)[C@@H](COP(=O)([O-])[O-])c1ccccc1	ZINC000043443226	208304487	/nfs/dbraw/zinc/30/44/87/208304487.db2.gz	XULFVBZQZLYSMA-INIZCTEOSA-N	-2	0	357.387	3.656	1	30		FHEFRL
CC1(C)CC=C(c2cc(C(=O)[O-])ccc2NC(=O)c2ncc(C#N)[n-]2)CC1	ZINC000103285576	209252121	/nfs/dbraw/zinc/25/21/21/209252121.db2.gz	MQEMXHCRAIJXMN-UHFFFAOYSA-N	-2	0	364.405	3.825	1	30		FHEFRL
O=C([O-])c1c(CCS)c2ccccc2n1Cc1ccccc1C(=O)[O-]	ZINC000003816718	210494283	/nfs/dbraw/zinc/49/42/83/210494283.db2.gz	NZCQAIHWIMBPHI-UHFFFAOYSA-N	-2	0	355.415	3.558	1	30		FHEFRL
O=C([O-])c1c(CCS)c2ccccc2n1Cc1ccc(C(=O)[O-])cc1	ZINC000003816717	219526362	/nfs/dbraw/zinc/52/63/62/219526362.db2.gz	DHGLLNLERWLFEA-UHFFFAOYSA-N	-2	0	355.415	3.558	1	30		FHEFRL
O=C([O-])CCCC=C1C(=O)c2ccccc2C(=O)C1CCCCC(=O)[O-]	ZINC000013861900	220097661	/nfs/dbraw/zinc/09/76/61/220097661.db2.gz	ZIWFTCLAYMWLOK-UHFFFAOYSA-N	-2	0	358.390	3.652	1	30		FHEFRL