smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N=Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(CP(=O)([O-])[O-])c(C=O)c1[O-]	ZINC000013861572	563002491	/nfs/dbraw/zinc/00/24/91/563002491.db2.gz	BEUAGQZJDAPBKT-WUKNDPDISA-N	-5	3	495.384	1.495	1	10		JDCFHL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(CP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000013861572	563002492	/nfs/dbraw/zinc/00/24/92/563002492.db2.gz	BEUAGQZJDAPBKT-WUKNDPDISA-N	-4	3	495.384	1.495	1	10		JDCFHL
N=c1oc2cc([O-])c(O)cc2cc1C(=O)NCCCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=N	ZINC000049070563	563201179	/nfs/dbraw/zinc/20/11/79/563201179.db2.gz	CMHXJFWEROQJQM-UHFFFAOYSA-N	-2	3	494.460	1.900	1	10		JDCFHL
N=c1oc2cc([O-])c(O)cc2cc1C(=O)NCCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=N	ZINC000049070526	563201221	/nfs/dbraw/zinc/20/12/21/563201221.db2.gz	FKOFIPBOYPUDNV-UHFFFAOYSA-N	-2	3	480.433	1.510	1	10		JDCFHL
N=c1oc2c(ccc([O-])c2O)cc1C(=O)NCCCNC(=O)c1cc2ccc([O-])c(O)c2oc1=N	ZINC000049088221	563201678	/nfs/dbraw/zinc/20/16/78/563201678.db2.gz	WOZKPVAKLXHYED-UHFFFAOYSA-N	-2	3	480.433	1.510	1	10		JDCFHL
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc([O-])c1C3=O)[C@@]1(C)O[C@@H](O2)[C@H](O)[C@H](N(C)C)[C@H]1O	ZINC000011592971	562957373	/nfs/dbraw/zinc/95/73/73/562957373.db2.gz	HQNMNCHWQYMBPJ-LZNULQBSSA-N	-2	3	491.496	1.951	1	10		JDCFHL
N=c1oc2c(ccc([O-])c2O)cc1C(=O)NCCNC(=O)c1cc2ccc([O-])c(O)c2oc1=N	ZINC000049070557	563201199	/nfs/dbraw/zinc/20/11/99/563201199.db2.gz	GNUASFZMLHVMHE-UHFFFAOYSA-N	-2	3	466.406	1.120	1	10		JDCFHL
N=c1oc2cc([O-])c(O)cc2cc1C(=O)NCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=N	ZINC000049071564	563201350	/nfs/dbraw/zinc/20/13/50/563201350.db2.gz	XZLPFMGUWBWCGR-UHFFFAOYSA-N	-2	3	466.406	1.120	1	10		JDCFHL
N=c1oc2c(ccc([O-])c2O)cc1C(=O)NCCCCNC(=O)c1cc2ccc([O-])c(O)c2oc1=N	ZINC000049087507	563201586	/nfs/dbraw/zinc/20/15/86/563201586.db2.gz	IEPGJHAKNHDXTF-UHFFFAOYSA-N	-2	3	494.460	1.900	1	10		JDCFHL
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc([O-])c1C3=O)[C@@]1(C)O[C@@H](O2)[C@H](O)[C@H](N(C)C)[C@@H]1O	ZINC000005440133	562934001	/nfs/dbraw/zinc/93/40/01/562934001.db2.gz	HQNMNCHWQYMBPJ-OUDJFBKESA-N	-2	3	491.496	1.951	1	10		JDCFHL
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc([O-])c1C3=O)[C@@]1(C)O[C@@H](O2)[C@H](O)[C@@H](N(C)C)[C@H]1O	ZINC000011592970	562957386	/nfs/dbraw/zinc/95/73/86/562957386.db2.gz	HQNMNCHWQYMBPJ-PDNMKEEMSA-N	-2	3	491.496	1.951	1	10		JDCFHL
Cc1ccc2c([O-])c3c(cc2c1)C(=O)c1c2c(cc([O-])c1C3=O)[C@@]1(C)O[C@@H](O2)[C@@H](O)[C@H](N(C)C)[C@H]1O	ZINC000011592973	562957407	/nfs/dbraw/zinc/95/74/07/562957407.db2.gz	HQNMNCHWQYMBPJ-UHJJGBGMSA-N	-2	3	491.496	1.951	1	10		JDCFHL