smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000016450458	487591275	/nfs/dbraw/zinc/59/12/75/487591275.db2.gz	SYURLXZBLJIGHF-UHFFFAOYSA-N	-2	1	362.367	0.317	40	10		FCCBML
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000008262080	204324270	/nfs/dbraw/zinc/32/42/70/204324270.db2.gz	BIMGELWPYHVGFE-VSBFRKNKSA-N	-2	1	364.379	0.804	40	10		FCCBML
COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409248346	533441511	/nfs/dbraw/zinc/44/15/11/533441511.db2.gz	QAXAOYDJQXDGAI-SSDOTTSWSA-N	-2	1	350.352	0.461	40	10		FCCBML
COc1cccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409249461	533387721	/nfs/dbraw/zinc/38/77/21/533387721.db2.gz	UFOLMYLGCUWDSP-RYGSOJJJSA-N	-2	1	364.379	0.804	40	10		FCCBML
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000008220396	207223548	/nfs/dbraw/zinc/22/35/48/207223548.db2.gz	BIMGELWPYHVGFE-QMEHYBMDSA-N	-2	1	364.379	0.804	40	10		FCCBML
COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409248347	533441742	/nfs/dbraw/zinc/44/17/42/533441742.db2.gz	QAXAOYDJQXDGAI-ZETCQYMHSA-N	-2	1	350.352	0.461	40	10		FCCBML
O=C1[N-]C(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000408718006	230014594	/nfs/dbraw/zinc/01/45/94/230014594.db2.gz	AXLQWTNMCOGAPC-UHFFFAOYSA-N	-2	1	372.156	0.977	40	10		FCCBML
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000004690715	229147369	/nfs/dbraw/zinc/14/73/69/229147369.db2.gz	APMGORHIDPSNMJ-UHFFFAOYSA-N	-2	1	372.156	0.977	40	10		FCCBML
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409044716	528256424	/nfs/dbraw/zinc/25/64/24/528256424.db2.gz	HMRSLXGFHNLLMP-UHFFFAOYSA-N	-2	1	368.729	0.952	40	10		FCCBML
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409044716	528256428	/nfs/dbraw/zinc/25/64/28/528256428.db2.gz	HMRSLXGFHNLLMP-UHFFFAOYSA-N	-2	1	368.729	0.952	40	10		FCCBML
Cn1c(=O)c(-c2[n-][nH]c(=O)c2C=Nc2ncccn2)c([O-])c2ccccc21	ZINC000100261105	222240576	/nfs/dbraw/zinc/24/05/76/222240576.db2.gz	ZLUIGLYKZHBKBS-LUAWRHEFSA-N	-2	1	362.349	0.864	40	10		FCCBML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1O	ZINC000226860042	488451974	/nfs/dbraw/zinc/45/19/74/488451974.db2.gz	DMYZZLAHRFMZMT-UHFFFAOYSA-N	-2	1	362.319	0.775	40	10		FCCBML
COc1cccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409249468	533387621	/nfs/dbraw/zinc/38/76/21/533387621.db2.gz	UFOLMYLGCUWDSP-VKHJRQFRSA-N	-2	1	364.379	0.804	40	10		FCCBML