smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CCC(=C2SC(=S)[N-]C2=O)CC1	ZINC000005964715	168147901	/nfs/dbraw/zinc/14/79/01/168147901.db2.gz	KDZUBSQYNGQYJT-UHFFFAOYSA-N	-1	1	227.354	2.599	40	10		BFCBMM
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1[O-]	ZINC000005337684	342762277	/nfs/dbraw/zinc/76/22/77/342762277.db2.gz	RITBOUIUXIOUFC-UHFFFAOYSA-N	-1	1	232.239	2.708	40	10		BFCBMM
CCCCCC(=O)c1cc(O)c([O-])c(O)c1	ZINC000001676261	355909290	/nfs/dbraw/zinc/90/92/90/355909290.db2.gz	IFYDUMLMLPWDRV-UHFFFAOYSA-N	-1	1	224.256	2.566	40	10	in-vitro	BFCBMM
O=C1[N-]C(=S)SC1=CC=Cc1ccco1	ZINC000012407491	350544551	/nfs/dbraw/zinc/54/45/51/350544551.db2.gz	POXDJVWANDRZTL-JOEIGAFWSA-N	-1	1	237.305	2.736	40	10		BFCBMM
Cc1cc(=O)n(-c2cccc3ccccc32)[n-]1	ZINC000000262803	168135528	/nfs/dbraw/zinc/13/55/28/168135528.db2.gz	BTUGYRPOCOUJAE-UHFFFAOYSA-N	-1	1	224.263	2.952	40	10		BFCBMM
O=C1[N-]C(=S)S/C1=C\C=C/c1ccccc1	ZINC000005003576	191121132	/nfs/dbraw/zinc/12/11/32/191121132.db2.gz	FPSVMWLWFSURME-NIQHGUSQSA-N	-1	1	247.344	2.732	40	10		BFCBMM
COC(=O)c1sc(SC(C)C)cc1[O-]	ZINC000096510935	385250734	/nfs/dbraw/zinc/25/07/34/385250734.db2.gz	NMBDGBHMHDKYMS-UHFFFAOYSA-N	-1	1	232.326	2.741	40	10		BFCBMM
[N-]=[N+]=NC=C([O-])c1ccc(Cl)s1	ZINC000107339296	384484369	/nfs/dbraw/zinc/48/43/69/384484369.db2.gz	BSDNFSWTVBYBKR-UHFFFAOYSA-N	-1	1	201.638	2.895	40	10		BFCBMM
COC(=O)c1sc(SCC(C)C)cc1[O-]	ZINC000096510937	385248964	/nfs/dbraw/zinc/24/89/64/385248964.db2.gz	OWNCHCQPLXTLAG-UHFFFAOYSA-N	-1	1	246.353	2.988	40	10		BFCBMM
COC(=O)c1sc(SC(F)F)cc1[O-]	ZINC000096510939	385250351	/nfs/dbraw/zinc/25/03/51/385250351.db2.gz	XHJXFIVDJRMWHZ-UHFFFAOYSA-N	-1	1	240.252	2.555	40	10		BFCBMM
CCCCCC(=O)c1ccc([O-])c(O)c1	ZINC000002573085	371597082	/nfs/dbraw/zinc/59/70/82/371597082.db2.gz	DNOLRRKUMHGWAC-UHFFFAOYSA-N	-1	1	208.257	2.861	40	10		BFCBMM
Nc1ncc(N=Nc2ccc(Cl)cc2)c(=O)[n-]1	ZINC000104071231	384796800	/nfs/dbraw/zinc/79/68/00/384796800.db2.gz	CRDPTOQANBTBRT-NXVVXOECSA-N	-1	1	249.661	2.833	40	10		BFCBMM
Nc1ncc(N=Nc2ccc(Cl)cc2)c(=O)[n-]1	ZINC000104071237	384797305	/nfs/dbraw/zinc/79/73/05/384797305.db2.gz	CRDPTOQANBTBRT-FOCLMDBBSA-N	-1	1	249.661	2.833	40	10		BFCBMM