smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(NC(CO)CO)cc1CNCC2=O)N1CCNCC1	ZINC000077261668	553655116	/nfs/dbraw/zinc/65/51/16/553655116.db2.gz	ADCWUEMUGCYKIC-PMACEKPBSA-N	2	1	503.644	0.001	40	0		KCABMP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335400	571535263	/nfs/dbraw/zinc/53/52/63/571535263.db2.gz	ZTQSJWKZYQJWLP-LIRVCHIBSA-N	2	1	711.868	0.787	40	0		KCABMP
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335525	571535364	/nfs/dbraw/zinc/53/53/64/571535364.db2.gz	ZTQSJWKZYQJWLP-GCIGRYLYSA-N	2	1	711.868	0.787	40	0		KCABMP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335645	571535285	/nfs/dbraw/zinc/53/52/85/571535285.db2.gz	ZTQSJWKZYQJWLP-XDIGFQIYSA-N	2	1	711.868	0.787	40	0		KCABMP
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335734	571535369	/nfs/dbraw/zinc/53/53/69/571535369.db2.gz	ZTQSJWKZYQJWLP-QEUNAIBPSA-N	2	1	711.868	0.787	40	0		KCABMP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000197465385	571564241	/nfs/dbraw/zinc/56/42/41/571564241.db2.gz	ZTQSJWKZYQJWLP-BQCXQQNKSA-N	2	1	711.868	0.787	40	0		KCABMP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000197465396	571564250	/nfs/dbraw/zinc/56/42/50/571564250.db2.gz	ZTQSJWKZYQJWLP-GLZVIBFHSA-N	2	1	711.868	0.787	40	0		KCABMP
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3C3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000225444058	571814875	/nfs/dbraw/zinc/81/48/75/571814875.db2.gz	IQMRMAFESHSPSA-QBCYUDNPSA-N	2	1	592.684	0.779	40	0		KCABMP