smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@]1(C)O	ZINC000008214478	552984501	/nfs/dbraw/zinc/98/45/01/552984501.db2.gz	UZQBOFAUUTZOQE-VSLWXVDYSA-N	1	0	525.683	2.513	10	30	in-vitro	KFEERO
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)ccc12	ZINC000014949092	561744989	/nfs/dbraw/zinc/74/49/89/561744989.db2.gz	XDHCDHWCFOQOCP-ZEQRLZLVSA-N	1	0	578.670	2.919	10	30		KFEERO
CC(C)[C@H](C(=O)N(OC(=O)[C@@H]1CCC(=O)N1)[C@@H](CC[C@H]([NH3+])Cc1ccccc1)Cc1ccccc1)N1CCCNC1=O	ZINC000100050157	554194589	/nfs/dbraw/zinc/19/45/89/554194589.db2.gz	KYLQUODANUHVAO-PFWSVGDOSA-N	1	0	577.726	2.953	10	30		KFEERO
CC(C)[C@H](C(=O)N(OC(=O)[C@@H]1CCC(=O)N1)[C@H](CC[C@H]([NH3+])Cc1ccccc1)Cc1ccccc1)N1CCCNC1=O	ZINC000100050162	554194585	/nfs/dbraw/zinc/19/45/85/554194585.db2.gz	KYLQUODANUHVAO-QPXUEMTLSA-N	1	0	577.726	2.953	10	30		KFEERO
NC(=[NH2+])NCCC[C@@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1=O	ZINC000210394975	571576019	/nfs/dbraw/zinc/57/60/19/571576019.db2.gz	IWWFHDRZZLWBNU-BJKOFHAPSA-N	1	0	520.678	2.887	10	30		KFEERO
NC(=[NH2+])NCCC[C@@H]1NC(=O)N([C@@H](CC2CCCCC2)C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1=O	ZINC000210395011	571576001	/nfs/dbraw/zinc/57/60/01/571576001.db2.gz	IWWFHDRZZLWBNU-ZEQRLZLVSA-N	1	0	520.678	2.887	10	30		KFEERO
NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@@H](CC2CCCCC2)C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1=O	ZINC000210395042	571576004	/nfs/dbraw/zinc/57/60/04/571576004.db2.gz	IWWFHDRZZLWBNU-RPWUZVMVSA-N	1	0	520.678	2.887	10	30		KFEERO