smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(CNC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000020457905	527313036	/nfs/dbraw/zinc/31/30/36/527313036.db2.gz	NNGAXLDVHCERJB-UHFFFAOYSA-N	0	0	488.610	2.764	10	10		JFCERN
O=C1/C(=C\c2c(=O)n3ccccc3nc2NC[C@H]2CCCO2)SC(=S)N1C[C@@H]1CCCO1	ZINC000012779363	195123356	/nfs/dbraw/zinc/12/33/56/195123356.db2.gz	YMJSJYZRSPBJMO-NIRMRBTQSA-N	0	0	472.592	2.666	10	10		JFCERN
O=C1/C(=C\c2c(=O)n3ccccc3nc2NCCO)SC(=S)N1CCc1ccccc1	ZINC000033344824	526944128	/nfs/dbraw/zinc/94/41/28/526944128.db2.gz	FIGDCTQPYAAZID-SAPNQHFASA-N	0	0	452.561	2.543	10	10		JFCERN
CCCCCN1C(=O)/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	ZINC000033651476	520177512	/nfs/dbraw/zinc/17/75/12/520177512.db2.gz	ALXMVTFLUCQRRY-JQIJEIRASA-N	0	0	462.597	2.507	10	10		JFCERN
CCOc1cccc([C@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1O	ZINC000008873406	521425125	/nfs/dbraw/zinc/42/51/25/521425125.db2.gz	ZDMUFUSVYQUKEI-MIOZMULLSA-N	0	0	484.574	2.813	10	10		JFCERN
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)NC3N=NC(=S)S3)CC2)cc1	ZINC000013796996	562993362	/nfs/dbraw/zinc/99/33/62/562993362.db2.gz	HRTBANZNKKWZHU-IBGZPJMESA-N	0	0	498.634	2.917	10	10		JFCERN
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCOCC3)cc1CNCC2=O	ZINC000072320687	569702123	/nfs/dbraw/zinc/70/21/23/569702123.db2.gz	IBEGDRZNUYGDBZ-VXKWHMMOSA-N	0	0	486.657	2.509	10	10		JFCERN