smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Cl)c2)C1=O	ZINC000409236616	231185088	/nfs/dbraw/zinc/18/50/88/231185088.db2.gz	SHDYOZZLQYVPQW-FMIVXFBMSA-N	-2	1	386.791	3.111	40	10		GGCBML
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[N-]C1=S	ZINC000020035571	207174912	/nfs/dbraw/zinc/17/49/12/207174912.db2.gz	JMLUWMWJEIYPLE-MHWRWJLKSA-N	-2	1	397.456	3.279	40	10		GGCBML
O=S(=O)([N-]c1ccc([O-])c(Sc2nc[nH]n2)c1)c1ccc(Cl)cc1	ZINC000005545049	564217392	/nfs/dbraw/zinc/21/73/92/564217392.db2.gz	RSHGQATUUXQKGC-UHFFFAOYSA-N	-2	1	382.854	3.116	40	10		GGCBML
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)c(C)c1	ZINC000005545035	1398452664	/nfs/dbraw/zinc/45/26/64/1398452664.db2.gz	LAEFUTMJWLJOOO-UHFFFAOYSA-N	-2	1	376.463	3.079	40	10		GGCBML
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1[C@H](C)C(=O)[O-]	ZINC000107745776	1411405176	/nfs/dbraw/zinc/40/51/76/1411405176.db2.gz	JKGCNWVUFLRCKO-IIMQCXAKSA-N	-2	1	389.411	3.057	40	10		GGCBML
O=C([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2cc3ccccc3o2)n1	ZINC000012377797	1399040644	/nfs/dbraw/zinc/04/06/44/1399040644.db2.gz	KSKLRICEYNPTDT-ZSOIEALJSA-N	-2	1	399.453	3.260	40	10		GGCBML
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000016399897	221361589	/nfs/dbraw/zinc/36/15/89/221361589.db2.gz	AVLKBAWCWSHDLM-SDQBBNPISA-N	-2	1	387.735	3.461	40	10		GGCBML
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000408774828	570682697	/nfs/dbraw/zinc/68/26/97/570682697.db2.gz	DCNNUPVKRBOTFX-NTEUORMPSA-N	-2	1	386.791	3.111	40	10		GGCBML
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000009324349	570554986	/nfs/dbraw/zinc/55/49/86/570554986.db2.gz	JOIFCECGHBUWPF-VGOFMYFVSA-N	-2	1	391.426	3.054	40	10		GGCBML
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c1	ZINC000408785214	528660374	/nfs/dbraw/zinc/66/03/74/528660374.db2.gz	ZZQVBJCPCNOBBT-RIYZIHGNSA-N	-2	1	386.791	3.111	40	10		GGCBML
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1[O-]	ZINC000108981461	565020050	/nfs/dbraw/zinc/02/00/50/565020050.db2.gz	RYNMEXQCDFPHHP-GHXNOFRVSA-N	-2	1	393.624	3.270	40	10		GGCBML
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)cc1	ZINC000103125166	1410829487	/nfs/dbraw/zinc/82/94/87/1410829487.db2.gz	ZRBNETSQZNPWKZ-VBKFSLOCSA-N	-2	1	399.472	3.226	40	10		GGCBML
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1[C@@H](C)C(=O)[O-]	ZINC000107745768	1411405232	/nfs/dbraw/zinc/40/52/32/1411405232.db2.gz	JKGCNWVUFLRCKO-HIXWQLQUSA-N	-2	1	389.411	3.057	40	10		GGCBML