smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(N)=[NH2+])CC1	ZINC000205748431	562875878	/nfs/dbraw/zinc/87/58/78/562875878.db2.gz	HRDUUSCYRPOMSO-ROUUACIJSA-N	2	3	512.708	-3.622	40	30	in-man	KAEBHP
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCC[NH3+])[C@H](C)O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255985130	572304533	/nfs/dbraw/zinc/30/45/33/572304533.db2.gz	LGIVVZKNEWRIPR-AUYGFBLUSA-N	2	3	672.833	-3.999	40	30		KAEBHP
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCC[NH3+])[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255985131	572304631	/nfs/dbraw/zinc/30/46/31/572304631.db2.gz	LGIVVZKNEWRIPR-LEKSSAKUSA-N	2	3	672.833	-3.999	40	30		KAEBHP
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCC[NH3+])[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255985132	572304553	/nfs/dbraw/zinc/30/45/53/572304553.db2.gz	LGIVVZKNEWRIPR-OXZADQLBSA-N	2	3	672.833	-3.999	40	30		KAEBHP
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCC[NH3+])[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255985133	572304541	/nfs/dbraw/zinc/30/45/41/572304541.db2.gz	LGIVVZKNEWRIPR-QMFSVNIWSA-N	2	3	672.833	-3.999	40	30		KAEBHP