smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNc1nc(C#C[C@@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000013475057	562988807	/nfs/dbraw/zinc/98/88/07/562988807.db2.gz	JBCZHYLZMXKPBJ-QHFMHODHSA-N	0	0	425.445	-0.045	10	30		IBEERN
CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000013475058	562988801	/nfs/dbraw/zinc/98/88/01/562988801.db2.gz	JBCZHYLZMXKPBJ-YWYKXHLWSA-N	0	0	425.445	-0.045	10	30		IBEERN
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000013826594	560220568	/nfs/dbraw/zinc/22/05/68/560220568.db2.gz	OLNJKAXRBXUBTB-JYJNAYRXSA-N	0	0	442.561	-0.309	10	30	in-vitro	IBEERN
Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)c1	ZINC000034754303	563087084	/nfs/dbraw/zinc/08/70/84/563087084.db2.gz	GHCPCZIUEYRYJT-UHFFFAOYSA-N	0	0	436.494	-0.413	10	30		IBEERN