smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F	ZINC001475438838	1069467836	/nfs/dbraw/zinc/46/78/36/1069467836.db2.gz	RTZCXSNXJBBEOM-CABZTGNLSA-N	-2	0	461.459	1.417	20	0		JDADRL
COc1ccc(-n2cc([O-])c(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccc(OC)cc4)C3=O)n2)cc1	ZINC001467808556	1068067455	/nfs/dbraw/zinc/06/74/55/1068067455.db2.gz	LQDYOWKIJLWYJB-QFIPXVFZSA-N	-2	0	451.439	1.707	20	0		JDADRL
Nc1nc2nc(CN3CC[C@@H](c4ccc(F)cc4)[C@@H]([N-]C(=O)C(F)(F)F)C3)cc(=O)n2[n-]1	ZINC001473632605	1069195948	/nfs/dbraw/zinc/19/59/48/1069195948.db2.gz	BGYPTYIYUPLGNF-KBPBESRZSA-N	-2	0	453.400	1.176	20	0		JDADRL
O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(-n3[nH]c(=O)[n-]c3=O)cc2)C1)C(F)(F)F	ZINC001469446812	1068520805	/nfs/dbraw/zinc/52/08/05/1068520805.db2.gz	SQQDIKBZPZYKOS-KOLCDFICSA-N	-2	0	467.326	1.480	20	0		JDADRL
O=C([N-]N1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-]	ZINC001466697911	1067901733	/nfs/dbraw/zinc/90/17/33/1067901733.db2.gz	DDFCHODCUUBZRB-UHFFFAOYSA-N	-2	0	451.460	1.812	20	0		JDADRL
CC(C)Cn1[n-]c(CC(=O)N2CCc3cc(S(=O)(=O)[N-]c4ncccn4)ccc32)cc1=O	ZINC001466971046	1067957008	/nfs/dbraw/zinc/95/70/08/1067957008.db2.gz	QAVGDJIMQOFHCH-UHFFFAOYSA-N	-2	0	456.528	1.555	20	0		JDADRL
COc1ccc([C@@H]2CCN(C(=O)c3c[n-]n4c3nccc4=O)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F	ZINC001469880144	1068612914	/nfs/dbraw/zinc/61/29/14/1068612914.db2.gz	JGBFUMVFIORVBW-WFASDCNBSA-N	-2	0	481.406	1.847	20	0		JDADRL
O=S(=O)([O-])c1cc(O)c2c(c1)cc(S(=O)(=O)[O-])cc2[N-]S(=O)(=O)c1ccccc1	ZINC000001848670	194149959	/nfs/dbraw/zinc/14/99/59/194149959.db2.gz	RXLQXRJNFSMYDL-UHFFFAOYSA-N	-3	0	459.479	1.840	20	0		JDADRL
COc1ccc(-n2cc([O-])c(C(=O)[N-]N3C(=O)N[C@](C)(c4ccc(OC)cc4)C3=O)n2)cc1	ZINC001467808555	1068067403	/nfs/dbraw/zinc/06/74/03/1068067403.db2.gz	LQDYOWKIJLWYJB-JOCHJYFZSA-N	-2	0	451.439	1.707	20	0		JDADRL
O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1)C(F)(F)F	ZINC001470128831	1068705418	/nfs/dbraw/zinc/70/54/18/1068705418.db2.gz	OGJLVBMHNCNGCX-CBAPKCEASA-N	-2	0	453.299	1.650	20	0		JDADRL