smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CCC(=O)C[C@@H](CCc2cc(O)c(O)c(OC)c2)S(=O)(=O)[O-])cc(O)c1O	ZINC000095918650	291472887	/nfs/dbraw/zinc/47/28/87/291472887.db2.gz	ZKNBKMKBFDAWTE-OAHLLOKOSA-N	-1	0	470.496	2.307	1	10	biogenic,in-vitro	JECFRM
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cc([N+](=O)[O-])c4cccnc4c3[O-])CC2)cc1	ZINC000053295091	563205629	/nfs/dbraw/zinc/20/56/29/563205629.db2.gz	CNXDQGFFHFMUOW-UHFFFAOYSA-N	-1	0	473.467	2.263	1	10		JECFRM
CCCn1c2[nH]c(-c3ccc(OCC(=O)[O-])cc3)nc2c(=O)n(CCc2ccc(N)cc2)c1=O	ZINC000027848966	563051880	/nfs/dbraw/zinc/05/18/80/563051880.db2.gz	KODAKUZWJVEWJD-UHFFFAOYSA-N	-1	0	463.494	2.252	1	10		JECFRM
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])OCCOc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000040810625	563148692	/nfs/dbraw/zinc/14/86/92/563148692.db2.gz	DWTRSJPTHPXZJK-JYJNAYRXSA-N	-1	0	467.375	2.024	1	10		JECFRM
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])OCCOc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000027085138	563039271	/nfs/dbraw/zinc/03/92/71/563039271.db2.gz	DWTRSJPTHPXZJK-XHSDSOJGSA-N	-1	0	467.375	2.024	1	10		JECFRM
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000027308447	563042475	/nfs/dbraw/zinc/04/24/75/563042475.db2.gz	QZHWKSSHKHBHOE-XQQFMLRXSA-N	-1	0	491.463	2.251	1	10		JECFRM
CC(=O)[C@@]1(O)c2cc(O)c(O)cc2C=C1c1cc2oc(=O)c3cc([O-])c(O)cc3c2c(=O)o1	ZINC000028861963	563083161	/nfs/dbraw/zinc/08/31/61/563083161.db2.gz	NITFEFGLVNCSOC-HSZRJFAPSA-N	-1	0	450.355	2.053	1	10		JECFRM
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000040488539	563144493	/nfs/dbraw/zinc/14/44/93/563144493.db2.gz	QZHWKSSHKHBHOE-AVGNSLFASA-N	-1	0	491.463	2.251	1	10		JECFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])NCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O	ZINC000045245145	563181565	/nfs/dbraw/zinc/18/15/65/563181565.db2.gz	LHSFRNDQOZDXJU-GVDBMIGSSA-N	-1	0	475.402	2.200	1	10		JECFRM
CC(=O)[C@]1(O)c2cc(O)c(O)cc2C=C1c1cc2oc(=O)c3cc([O-])c(O)cc3c2c(=O)o1	ZINC000028861960	563083156	/nfs/dbraw/zinc/08/31/56/563083156.db2.gz	NITFEFGLVNCSOC-QHCPKHFHSA-N	-1	0	450.355	2.053	1	10		JECFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])Oc3cccnc3Cl)O2)c(=O)[nH]c1=O	ZINC000052565931	563204792	/nfs/dbraw/zinc/20/47/92/563204792.db2.gz	PIBPBYVQCDAOBR-MVWJERBFSA-N	-1	0	458.755	2.056	1	10		JECFRM
CCCn1c(=O)c2nc(-c3ccc(OCC(=O)[O-])cc3)[nH]c2n(CCc2ccc(N)cc2)c1=O	ZINC000027860013	563052149	/nfs/dbraw/zinc/05/21/49/563052149.db2.gz	VQDCOMSLMASLMJ-UHFFFAOYSA-N	-1	0	463.494	2.252	1	10		JECFRM
C[C@@H]1O[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)c(O)c2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O	ZINC000095914727	291474635	/nfs/dbraw/zinc/47/46/35/291474635.db2.gz	VBHRATZJDZCXOA-CPGBUXPPSA-N	-1	0	488.445	2.287	1	10	biogenic,in-vitro	JECFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])Oc3cncc(Cl)c3)O2)c(=O)[nH]c1=O	ZINC000052566052	563204816	/nfs/dbraw/zinc/20/48/16/563204816.db2.gz	ASLBAOQLSZFTKY-YNEHKIRRSA-N	-1	0	458.755	2.056	1	10		JECFRM