smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H]1CC[C@](CCc2cc(C[NH2+]C)c(O)c(OC)c2)(OC(C)=O)C[C@H]1O	ZINC000085627678	291249533	/nfs/dbraw/zinc/24/95/33/291249533.db2.gz	FYMRIADKJAOCIS-XQFWAAQXSA-N	1	0	407.551	3.706	1	10	biogenic,in-vitro	HHCFRO
C[C@H](CCCCCNC(=O)OCc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000027729711	581094848	/nfs/dbraw/zinc/09/48/48/581094848.db2.gz	DZEFSBVJMODQSH-VGSWGCGISA-N	1	0	416.518	3.596	1	10		HHCFRO
C[C@@H](CCCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000027729689	581094752	/nfs/dbraw/zinc/09/47/52/581094752.db2.gz	DZEFSBVJMODQSH-HTAPYJJXSA-N	1	0	416.518	3.596	1	10		HHCFRO
COc1cc2nc(Cl)nc(Nc3ccc(O)c(C[N+](C)(C)C)c3)c2cc1OC	ZINC000040620370	717127315	/nfs/dbraw/zinc/12/73/15/717127315.db2.gz	XCHRCDHXYIIQHP-UHFFFAOYSA-O	1	0	403.890	3.956	1	10		HHCFRO
Cc1cccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2ccc3c(c2)n(C)c(=O)n3C)c1	ZINC000028000374	581092095	/nfs/dbraw/zinc/09/20/95/581092095.db2.gz	FCMPDTKSOYPNKV-UHFFFAOYSA-N	1	0	401.514	3.710	1	10		HHCFRO
C[C@H](CCCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000027729697	581094812	/nfs/dbraw/zinc/09/48/12/581094812.db2.gz	DZEFSBVJMODQSH-VGOFRKELSA-N	1	0	416.518	3.596	1	10		HHCFRO
CCC[C@@H]1c2cc[nH]c2CC=C1C(=O)CC(=O)CCc1cc(C[NH2+]C)c(O)c(OC)c1	ZINC000103531659	291249601	/nfs/dbraw/zinc/24/96/01/291249601.db2.gz	STZKXXCFZMCXPG-TZIWHRDSSA-N	1	0	423.533	3.922	1	10	biogenic,in-vitro	HHCFRO
C[C@@H](CCCCCNC(=O)OCc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000027729703	581094801	/nfs/dbraw/zinc/09/48/01/581094801.db2.gz	DZEFSBVJMODQSH-JTSKRJEESA-N	1	0	416.518	3.596	1	10		HHCFRO