smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])Oc1ccc(C(c2ccc(OP(=O)([O-])[O-])cc2)c2ccccn2)cc1	ZINC000004217453	562942768	/nfs/dbraw/zinc/94/27/68/562942768.db2.gz	UDOXKBJCUVONJD-UHFFFAOYSA-N	-4	0	437.281	3.205	10	0	in-man	IGAERL
CCN(CC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000035479708	520930683	/nfs/dbraw/zinc/93/06/83/520930683.db2.gz	UPXKWTIDILWZIA-UHFFFAOYSA-N	-2	0	428.308	3.189	10	0		IGAERL
COc1cccc2c(SC[C@H](NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])C(=O)[O-])cc(C)nc12	ZINC000238901807	524201130	/nfs/dbraw/zinc/20/11/30/524201130.db2.gz	MUJPIVCUJRVXDJ-FMKPAKJESA-N	-2	0	446.525	3.104	10	0		IGAERL
O=C([O-])CCCc1cc(I)c([O-])c(I)c1	ZINC000013529969	562991917	/nfs/dbraw/zinc/99/19/17/562991917.db2.gz	QCXDQEWVYZJYED-UHFFFAOYSA-N	-2	0	431.995	3.009	10	0		IGAERL
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1OP(=O)([O-])[O-]	ZINC000043202882	563119433	/nfs/dbraw/zinc/11/94/33/563119433.db2.gz	JNWFIPVDEINBAI-UHFFFAOYSA-N	-2	0	444.384	3.020	10	0		IGAERL
O=C([O-])C(=O)c1ccc(OCc2ccccc2COc2ccc(C(=O)C(=O)[O-])cc2)cc1	ZINC000013490977	562990366	/nfs/dbraw/zinc/99/03/66/562990366.db2.gz	KUDWMAZIIZIKJD-UHFFFAOYSA-N	-2	0	434.400	3.379	10	0		IGAERL