smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1CC[C@H](n2ccc(N)nc2=O)O1	ZINC000003589815	562927175	/nfs/dbraw/zinc/92/71/75/562927175.db2.gz	NZCQWOIOZLKJHJ-DGCLKSJQSA-O	-1	0	457.337	0.460	1	5		JCBFRM
CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)Cn1[n-]c(=O)c2c(cccc2[N+](=O)[O-])c1=O	ZINC000013585506	562976332	/nfs/dbraw/zinc/97/63/32/562976332.db2.gz	KVTZOGYCKQFPRN-AAEUAGOBSA-N	-1	0	475.458	0.999	1	5		JCBFRM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1CC[C@@H](n2ccc(N)nc2=O)O1	ZINC000017176251	563013575	/nfs/dbraw/zinc/01/35/75/563013575.db2.gz	NZCQWOIOZLKJHJ-AAEUAGOBSA-O	-1	0	457.337	0.460	1	5		JCBFRM
O=[N+]([O-])c1ccc(CCNS(=O)(=O)[N-]S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000028017132	563055052	/nfs/dbraw/zinc/05/50/52/563055052.db2.gz	NQZMPRRBGKCCGZ-UHFFFAOYSA-N	-1	0	473.489	0.547	1	5		JCBFRM
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNC(=O)c4ccncc4)c3)cc21	ZINC000036338517	563126381	/nfs/dbraw/zinc/12/63/81/563126381.db2.gz	UCTNZJNATOCSCH-UHFFFAOYSA-N	-1	0	464.394	0.798	1	5		JCBFRM
COc1c([O-])cc2c(=O)oc3c(O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c43	ZINC000040864091	563150707	/nfs/dbraw/zinc/15/07/07/563150707.db2.gz	IAYGIELPGJHKME-UKZWKHHHSA-N	-1	0	462.363	0.117	1	5		JCBFRM
NC(=[NH2+])NCCC[C@H](NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000049017044	563197396	/nfs/dbraw/zinc/19/73/96/563197396.db2.gz	BRHWBVXFXBEJOE-ZDUSSCGKSA-N	-1	0	484.516	0.903	1	5		JCBFRM
NC(=[NH2+])NCCC[C@H](NC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000049019795	563197589	/nfs/dbraw/zinc/19/75/89/563197589.db2.gz	CTKGKGLPEMCBGI-NSHDSACASA-N	-1	0	484.516	0.903	1	5		JCBFRM
COc1c([O-])cc2c(=O)oc3c(O)c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c43	ZINC000095913629	291436800	/nfs/dbraw/zinc/43/68/00/291436800.db2.gz	IAYGIELPGJHKME-IOPSKVIRSA-N	-1	0	462.363	0.117	1	5	biogenic,in-vitro	JCBFRM
COc1cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c([O-])cc4c(=O)oc(c1O)c2c43	ZINC000095913630	560056509	/nfs/dbraw/zinc/05/65/09/560056509.db2.gz	VNUVSIWYGWCDKI-IOPSKVIRSA-N	-1	0	462.363	0.117	1	5	biogenic,in-vitro	JCBFRM
C[N+](C)(C)CCO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1CC[C@@H](n2ccc(N)nc2=O)O1	ZINC000254224179	717170636	/nfs/dbraw/zinc/17/06/36/717170636.db2.gz	NZCQWOIOZLKJHJ-YPMHNXCESA-O	-1	0	457.337	0.460	1	5		JCBFRM