smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C(=Cc2cn(CC(=O)[O-])nn2)C(=O)N(C)C1=O	ZINC000759069738	582146880	/nfs/dbraw/zinc/14/68/80/582146880.db2.gz	BMGDEXOEJHZEEE-UHFFFAOYSA-N	-1	0	293.239	-1.204	20	10		CACDRM
O=C(CN1C(=O)CSC1=S)NCc1nnn[n-]1	ZINC001144848548	781466133	/nfs/dbraw/zinc/46/61/33/781466133.db2.gz	QTJKHFAGQRGJLL-UHFFFAOYSA-N	-1	0	272.315	-1.324	20	10		CACDRM
NC(=O)[C@H](CO)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889242	781523059	/nfs/dbraw/zinc/52/30/59/781523059.db2.gz	CRGRKLJSPFILPQ-JTQLQIEISA-N	-1	0	290.279	-1.258	20	10		CACDRM
NC(=O)[C@@H](CO)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889243	781523150	/nfs/dbraw/zinc/52/31/50/781523150.db2.gz	CRGRKLJSPFILPQ-SNVBAGLBSA-N	-1	0	290.279	-1.258	20	10		CACDRM
NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc([O-])[nH]c(=O)c3)C[C@H]12	ZINC001270176345	775525659	/nfs/dbraw/zinc/52/56/59/775525659.db2.gz	QHMLBEISJSGKOH-NKWVEPMBSA-N	-1	0	292.251	-1.195	20	10		CACDRM
O=C(CN1C(=O)CSC1=S)NCc1n[nH]c(=O)[n-]1	ZINC001144848061	781465351	/nfs/dbraw/zinc/46/53/51/781465351.db2.gz	AMPLXVLUFTXZQV-UHFFFAOYSA-N	-1	0	287.326	-1.013	20	10		CACDRM
O=C(CN1C(=O)CSC1=S)NCS(=O)(=O)[O-]	ZINC001144848820	781465480	/nfs/dbraw/zinc/46/54/80/781465480.db2.gz	XXBJDGIIBNCNDC-UHFFFAOYSA-N	-1	0	284.340	-1.192	20	10		CACDRM
O=C(CN1C(=O)CSC1=S)N[C@@H]1CO[N-]C1=O	ZINC001144848077	781465724	/nfs/dbraw/zinc/46/57/24/781465724.db2.gz	AYUUUVZLPBLSSN-SCSAIBSYSA-N	-1	0	275.311	-1.607	20	10		CACDRM
O=C(N[C@@H]1CO[N-]C1=O)c1cc(O)c(O)c(O)c1	ZINC001148589744	781537087	/nfs/dbraw/zinc/53/70/87/781537087.db2.gz	JQIGLNIMFAVOJU-RXMQYKEDSA-N	-1	0	254.198	-1.037	20	10		CACDRM