smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(/C=N/[O-])o3)cc2)cc1	ZINC000226306476	206120257	/nfs/dbraw/zinc/12/02/57/206120257.db2.gz	CANSMBZQURAWOT-XDHOZWIPSA-N	-2	3	356.403	3.864	10	30		FHEEHL
[O-]c1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000102494868	209236469	/nfs/dbraw/zinc/23/64/69/209236469.db2.gz	KYJFDVAARWOXGC-CHHVJCJISA-N	-2	3	365.212	3.551	10	30		FHEEHL
CCCCCCCCc1ccc2[nH]c([C@@H](N)COP(=O)([O-])[O-])nc2c1	ZINC000038149376	208200168	/nfs/dbraw/zinc/20/01/68/208200168.db2.gz	FZEKCWYSFVMPDZ-AWEZNQCLSA-N	-2	3	369.402	3.575	10	30		FHEEHL
CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)([O-])[O-])[nH]c2c1	ZINC000038149376	208200174	/nfs/dbraw/zinc/20/01/74/208200174.db2.gz	FZEKCWYSFVMPDZ-AWEZNQCLSA-N	-2	3	369.402	3.575	10	30		FHEEHL
CCCCCCCCCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000038158614	208199016	/nfs/dbraw/zinc/19/90/16/208199016.db2.gz	AFHBJHZWUKBVNT-UHFFFAOYSA-N	-4	3	374.351	3.689	10	30		FHEEHL
C=C(C(=O)c1ccc([O-])c(OC)c1)C(C)C(=O)c1ccc([O-])c(OC)c1	ZINC000103291148	522050355	/nfs/dbraw/zinc/05/03/55/522050355.db2.gz	ZTNYRNGTBAGYIZ-QXMHVHEDSA-N	-2	3	356.374	3.517	10	30		FHEEHL
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2ccc(/C=N/[O-])o2)cc1	ZINC000226306466	527248871	/nfs/dbraw/zinc/24/88/71/527248871.db2.gz	VHVQVRLONHELAH-YBFXNURJSA-N	-2	3	360.366	3.695	10	30		FHEEHL
CCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1cccc([O-])c1	ZINC000016935793	211173831	/nfs/dbraw/zinc/17/38/31/211173831.db2.gz	MJMUOSJCNIQUHA-SMFDUERQSA-N	-2	3	368.414	3.714	10	30		FHEEHL
C=C(C(=O)c1ccc([O-])c(OC)c1)C(C)C(=O)c1ccc([O-])c(OC)c1	ZINC000015222309	522049874	/nfs/dbraw/zinc/04/98/74/522049874.db2.gz	ZTNYRNGTBAGYIZ-VAWYXSNFSA-N	-2	3	356.374	3.517	10	30		FHEEHL
COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(/C=N/[O-])o3)cc2)cc1	ZINC000226306487	524689515	/nfs/dbraw/zinc/68/95/15/524689515.db2.gz	ZRLHMTLNFIMNLM-XDHOZWIPSA-N	-2	3	372.402	3.564	10	30		FHEEHL
O=c1[n-][nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1[O-])C1=C(CCCC1=O)N2	ZINC000018195904	220228205	/nfs/dbraw/zinc/22/82/05/220228205.db2.gz	QBKVPTLGVWWLCH-LLVKDONJSA-N	-2	3	366.204	3.692	10	30		FHEEHL
Cc1ccc(/N=C2\S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)c([O-])c1	ZINC000016936107	220197026	/nfs/dbraw/zinc/19/70/26/220197026.db2.gz	WNPFUUYHDLKOOO-SMFDUERQSA-N	-2	3	368.414	3.633	10	30		FHEEHL
O=c1[n-][nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1[O-])C1=C(CCCC1=O)N2	ZINC000018195905	220228416	/nfs/dbraw/zinc/22/84/16/220228416.db2.gz	QBKVPTLGVWWLCH-NSHDSACASA-N	-2	3	366.204	3.692	10	30		FHEEHL