smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(OCC(=O)[O-])cc3)NC2=O)cc1	ZINC000013943389	556340649	/nfs/dbraw/zinc/34/06/49/556340649.db2.gz	MSGXYKIYPGJHAR-ZTBJCTOSSA-N	-1	2	440.481	2.409	50	30		IEEALM
Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/c3ccc(OCC(=O)[O-])cc3)NC2=O)cc1	ZINC000013943389	556340653	/nfs/dbraw/zinc/34/06/53/556340653.db2.gz	MSGXYKIYPGJHAR-ZTBJCTOSSA-N	-1	2	440.481	2.409	50	30		IEEALM
COc1ccc(Cc2nnc(NN=Cc3cc([N+](=O)[O-])ccc3O)[n-]c2=O)cc1OC	ZINC000253532076	569284035	/nfs/dbraw/zinc/28/40/35/569284035.db2.gz	ZSZQEBFFMBNYID-UHFFFAOYSA-N	-1	2	426.389	2.245	50	30		IEEALM
O=C([O-])CNC(=O)C[C@@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000008763531	569474430	/nfs/dbraw/zinc/47/44/30/569474430.db2.gz	GFPAMSMSSWZPFE-PKOLSWDWSA-N	-1	2	449.492	2.347	50	30		IEEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000008763531	569474431	/nfs/dbraw/zinc/47/44/31/569474431.db2.gz	GFPAMSMSSWZPFE-PKOLSWDWSA-N	-1	2	449.492	2.347	50	30		IEEALM
CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)cc1	ZINC000095447962	518479090	/nfs/dbraw/zinc/47/90/90/518479090.db2.gz	LRZBTQANRRMZOL-UHFFFAOYSA-N	-1	2	435.487	2.042	50	30		IEEALM
Cc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(OCC(=O)[O-])cc3)NC2=O)cc1	ZINC000006812421	556104793	/nfs/dbraw/zinc/10/47/93/556104793.db2.gz	MSGXYKIYPGJHAR-CBVHTYNASA-N	-1	2	440.481	2.409	50	30		IEEALM
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C/c3ccc(OCC(=O)[O-])cc3)NC2=O)cc1	ZINC000006812421	556104800	/nfs/dbraw/zinc/10/48/00/556104800.db2.gz	MSGXYKIYPGJHAR-CBVHTYNASA-N	-1	2	440.481	2.409	50	30		IEEALM
O=C([O-])CNC(=O)C[C@H]1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000001797450	568908395	/nfs/dbraw/zinc/90/83/95/568908395.db2.gz	GFPAMSMSSWZPFE-SCWWFSKWSA-N	-1	2	449.492	2.347	50	30		IEEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2c3ccccc3[nH]c2-c2ccccc2)NC1=O	ZINC000001797450	568908396	/nfs/dbraw/zinc/90/83/96/568908396.db2.gz	GFPAMSMSSWZPFE-SCWWFSKWSA-N	-1	2	449.492	2.347	50	30		IEEALM
Cc1n[nH]c(=S)n(N=Cc2cc(Br)c([O-])c(Br)c2O)c1=O	ZINC000008763725	569474579	/nfs/dbraw/zinc/47/45/79/569474579.db2.gz	ICCUQTAAGJHIJK-LZWSPWQCSA-N	-1	2	436.085	2.428	50	30		IEEALM