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)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029334775	563100760	/nfs/dbraw/zinc/10/07/60/563100760.db2.gz	HNVLTLIDTWHFKZ-PZJWPPBQSA-N	1	3	450.543	1.320	1	30		JDEFHO
CC[C@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H]([NH3+])CS	ZINC000027847551	563051790	/nfs/dbraw/zinc/05/17/90/563051790.db2.gz	WFQPZFFCDFEPDQ-JFZIVLOISA-N	1	3	498.759	1.860	1	30		JDEFHO
CC[C@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@@H]([NH3+])CS	ZINC000027847537	563051800	/nfs/dbraw/zinc/05/18/00/563051800.db2.gz	WFQPZFFCDFEPDQ-WFMNFSIZSA-N	1	3	498.759	1.860	1	30		JDEFHO
CN[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028251260	563058922	/nfs/dbraw/zinc/05/89/22/563058922.db2.gz	SBWRJWPVMXNQFR-LWSSLDFYSA-N	1	3	494.640	1.383	1	30		JDEFHO
CN[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000028251269	563058993	/nfs/dbraw/zinc/05/89/93/563058993.db2.gz	SBWRJWPVMXNQFR-JLLPCOHGSA-N	1	3	494.640	1.383	1	30		JDEFHO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029348213	563101432	/nfs/dbraw/zinc/10/14/32/563101432.db2.gz	HNVLTLIDTWHFKZ-TZIWHRDSSA-N	1	3	450.543	1.320	1	30		JDEFHO
CC[C@@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H]([NH3+])CS	ZINC000027847544	563051788	/nfs/dbraw/zinc/05/17/88/563051788.db2.gz	WFQPZFFCDFEPDQ-ZQOQTTQJSA-N	1	3	498.759	1.860	1	30		JDEFHO
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029339859	563100985	/nfs/dbraw/zinc/10/09/85/563100985.db2.gz	HNVLTLIDTWHFKZ-FPOVZHCZSA-N	1	3	450.543	1.320	1	30		JDEFHO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1	ZINC000029334770	563100684	/nfs/dbraw/zinc/10/06/84/563100684.db2.gz	HNVLTLIDTWHFKZ-CTNGQTDRSA-N	1	3	450.543	1.320	1	30		JDEFHO
CC[C@@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@@H]([NH3+])CS	ZINC000027847530	563051773	/nfs/dbraw/zinc/05/17/73/563051773.db2.gz	WFQPZFFCDFEPDQ-MBMVPVEPSA-N	1	3	498.759	1.860	1	30		JDEFHO
CN1CCN(/C=[NH+]/c2ccc3nc(N4CCN(C)CC4)c(N4CCN(C)CC4)nc3c2)CC1	ZINC000026162772	563022932	/nfs/dbraw/zinc/02/29/32/563022932.db2.gz	CEPJGEIDXFMUTK-NCELDCMTSA-N	1	3	451.623	1.041	1	30		JDEFHO