smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000049072668	520850435	/nfs/dbraw/zinc/85/04/35/520850435.db2.gz	SHXXOWPUXUVYPS-LICLKQGHSA-N	-1	3	459.505	3.548	10	10		JHCEHM
COc1cccc(CN2C(=O)N[C@@](C)(C3CCN(Cc4cc(Cl)ccc4[O-])CC3)C2=O)c1OC	ZINC000012004348	562958474	/nfs/dbraw/zinc/95/84/74/562958474.db2.gz	UXRVFSQKTZHMKP-VWLOTQADSA-N	-1	3	487.984	3.786	10	10		JHCEHM
O=C([N-]N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1Br	ZINC000027533890	556293548	/nfs/dbraw/zinc/29/35/48/556293548.db2.gz	JNBYQDGSYBOESW-NTEUORMPSA-N	-1	3	459.350	3.872	10	10		JHCEHM
CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000049073124	520849938	/nfs/dbraw/zinc/84/99/38/520849938.db2.gz	KYNALSARYXNPCY-GZTJUZNOSA-N	-1	3	459.505	3.548	10	10		JHCEHM
COc1cccc(CN2C(=O)N[C@](C)(C3CCN(Cc4cc(Cl)ccc4[O-])CC3)C2=O)c1OC	ZINC000012004354	562958407	/nfs/dbraw/zinc/95/84/07/562958407.db2.gz	UXRVFSQKTZHMKP-RUZDIDTESA-N	-1	3	487.984	3.786	10	10		JHCEHM
CCCCCN1c2ccccc2/C(=C2\SC(=S)N([N-]C(=O)c3ccncc3)C2=O)C1=O	ZINC000033424004	520182365	/nfs/dbraw/zinc/18/23/65/520182365.db2.gz	OXYUQQHGCHHOME-ISLYRVAYSA-N	-1	3	452.561	3.535	10	10		JHCEHM
COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CN1Cc1cc(Cl)ccc1[O-]	ZINC000014995702	523760868	/nfs/dbraw/zinc/76/08/68/523760868.db2.gz	HLCAKXIYLQCWRY-MSOLQXFVSA-N	-1	3	470.875	3.539	10	10		JHCEHM
O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1cc(Cl)ccc1[O-])N1CCOCC1	ZINC000012028614	555886293	/nfs/dbraw/zinc/88/62/93/555886293.db2.gz	WYEURYJOJMCTGB-UXHICEINSA-N	-1	3	450.963	3.779	10	10		JHCEHM