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@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]21)N1CCOCC1	ZINC001235549238	1069620958	/nfs/dbraw/zinc/62/09/58/1069620958.db2.gz	DUZWPHXOARVDHY-DBXWQHBBSA-N	2	1	465.572	-0.032	20	10		JBCDMP
O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]21)N1CCOCC1	ZINC001235549243	1069621289	/nfs/dbraw/zinc/62/12/89/1069621289.db2.gz	DUZWPHXOARVDHY-WAOWUJCRSA-N	2	1	465.572	-0.032	20	10		JBCDMP
O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]21)N1CCOCC1	ZINC001235549259	1069621109	/nfs/dbraw/zinc/62/11/09/1069621109.db2.gz	FBYYLXZNFPFEAX-KCZVDYSFSA-N	2	1	478.615	-0.104	20	10		JBCDMP
O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]21)N1CCOCC1	ZINC001235549261	1069621077	/nfs/dbraw/zinc/62/10/77/1069621077.db2.gz	FBYYLXZNFPFEAX-TUNNFDKTSA-N	2	1	478.615	-0.104	20	10		JBCDMP
CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O)C(=O)NCC(N)=O	ZINC001235881389	1069621996	/nfs/dbraw/zinc/62/19/96/1069621996.db2.gz	FHZMUMSJFNZNFU-PMACEKPBSA-N	2	1	474.606	-0.101	20	10		JBCDMP
CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2)C(=O)NCC(N)=O	ZINC001235882837	1069621918	/nfs/dbraw/zinc/62/19/18/1069621918.db2.gz	QEXJLMVAANRRIO-ROUUACIJSA-N	2	1	461.563	-0.029	20	10		JBCDMP
CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2)C(=O)NCC(N)=O	ZINC001235882837	1069621916	/nfs/dbraw/zinc/62/19/16/1069621916.db2.gz	QEXJLMVAANRRIO-ROUUACIJSA-N	2	1	461.563	-0.029	20	10		JBCDMP