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](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O	ZINC000085427178	553681676	/nfs/dbraw/zinc/68/16/76/553681676.db2.gz	UCWISUCKJRPWFZ-HFYXWKFHSA-N	1	3	706.955	0.071	40	0	in-vitro	KCABHO
CC(C)(N)C(=O)N[C@@H](C[C@@H]1C=NC=N1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335400	571535272	/nfs/dbraw/zinc/53/52/72/571535272.db2.gz	ZTQSJWKZYQJWLP-LIRVCHIBSA-N	1	3	711.868	0.787	40	0		KCABHO
CC(C)(N)C(=O)N[C@H](C[C@@H]1C=NC=N1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335525	571535367	/nfs/dbraw/zinc/53/53/67/571535367.db2.gz	ZTQSJWKZYQJWLP-GCIGRYLYSA-N	1	3	711.868	0.787	40	0		KCABHO
CC(C)(N)C(=O)N[C@@H](C[C@H]1C=NC=N1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335645	571535293	/nfs/dbraw/zinc/53/52/93/571535293.db2.gz	ZTQSJWKZYQJWLP-XDIGFQIYSA-N	1	3	711.868	0.787	40	0		KCABHO
CC(C)(N)C(=O)N[C@H](C[C@H]1C=NC=N1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000163335734	571535372	/nfs/dbraw/zinc/53/53/72/571535372.db2.gz	ZTQSJWKZYQJWLP-QEUNAIBPSA-N	1	3	711.868	0.787	40	0		KCABHO
CC(C)(N)C(=O)N[C@@H](C[C@@H]1C=NC=N1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000197465385	571564244	/nfs/dbraw/zinc/56/42/44/571564244.db2.gz	ZTQSJWKZYQJWLP-BQCXQQNKSA-N	1	3	711.868	0.787	40	0		KCABHO
CC(C)(N)C(=O)N[C@@H](C[C@H]1C=NC=N1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000197465396	571564253	/nfs/dbraw/zinc/56/42/53/571564253.db2.gz	ZTQSJWKZYQJWLP-GLZVIBFHSA-N	1	3	711.868	0.787	40	0		KCABHO
CCN(CC)CCCN(CC(=O)CN(CCC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000575420877	1066233507	/nfs/dbraw/zinc/23/35/07/1066233507.db2.gz	FGTSEDAMHVCWLD-DNQXCXABSA-N	1	3	550.832	0.998	40	0		KCABHO
CCN(CC)CCCN(CC(=O)CN(CCC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	ZINC000575420881	1066233240	/nfs/dbraw/zinc/23/32/40/1066233240.db2.gz	FGTSEDAMHVCWLD-ZEQRLZLVSA-N	1	3	550.832	0.998	40	0		KCABHO
CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H](OC)[C@H]1CCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000585293775	1066206035	/nfs/dbraw/zinc/20/60/35/1066206035.db2.gz	MAFMMPOCZLHUTI-QWDLEPIUSA-N	1	3	632.807	0.050	40	0		KCABHO