smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CCNCC(=O)N3CCC[C@H]3C#N)CC2)cc1	ZINC000013679150	562983973	/nfs/dbraw/zinc/98/39/73/562983973.db2.gz	KEJZQAMISBJAEB-IBGZPJMESA-N	0	3	490.586	-0.028	1	30		JBEFHN
NC(=[NH2+])N[C@H]1CCOC[C@@H]2O[C@H](Oc3c([O-])c4c(cc31)C(=O)c1ccccc1C4=O)[C@@H](O)[C@H](O)[C@H]2O	ZINC000085593140	560065398	/nfs/dbraw/zinc/06/53/98/560065398.db2.gz	WYJXVMQLDKRPTE-BWHQQYENSA-N	0	3	499.476	-0.911	1	30	biogenic,in-vitro	JBEFHN
NC(=[NH2+])N[C@@H]1C=COC[C@@H]2O[C@H](Oc3c([O-])c4c(cc31)C(=O)c1ccccc1C4=O)[C@@H](O)[C@H](O)[C@H]2O	ZINC000103527538	560051134	/nfs/dbraw/zinc/05/11/34/560051134.db2.gz	HJZBIEXPVZETJA-AJHSQJFVSA-N	0	3	497.460	-0.788	1	30	biogenic,in-vitro	JBEFHN