smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1	ZINC000003871970	204020565	/nfs/dbraw/zinc/02/05/65/204020565.db2.gz	NNULBSISHYWZJU-KPLGQKMUSA-N	-1	0	383.411	-0.556	10	30		GBEERM
C=CCCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004097557	560194779	/nfs/dbraw/zinc/19/47/79/560194779.db2.gz	XMJFVIGTHMOGNZ-AHMUMSBHSA-N	-1	0	387.432	-0.991	10	30	in-vitro	GBEERM
CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000005138299	209231528	/nfs/dbraw/zinc/23/15/28/209231528.db2.gz	ZTDAMCPLHAKWAY-GVXVVHGQSA-N	-1	0	375.422	-0.753	10	30		GBEERM
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)[nH+]3)[C@H]2SC1	ZINC000008584439	204280143	/nfs/dbraw/zinc/28/01/43/204280143.db2.gz	RTXOFQZKPXMALH-JQISMDCNSA-N	-1	0	395.422	-0.172	10	30		GBEERM
C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000031259714	207380550	/nfs/dbraw/zinc/38/05/50/207380550.db2.gz	FMNCPUGORYYCEM-QCLAVDOMSA-N	-1	0	390.393	-0.485	10	30	in-vitro,metabolite	GBEERM
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12)c1csc(N)n1	ZINC000301054841	231044716	/nfs/dbraw/zinc/04/47/16/231044716.db2.gz	MQLRYUCJDNBWMV-PELKAZGASA-N	-1	0	397.438	-0.166	10	30		GBEERM
CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12)c1csc(N)n1	ZINC000301054842	231044794	/nfs/dbraw/zinc/04/47/94/231044794.db2.gz	MQLRYUCJDNBWMV-QPUJVOFHSA-N	-1	0	397.438	-0.166	10	30		GBEERM
CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12)c1csc(N)n1	ZINC000301054843	231044688	/nfs/dbraw/zinc/04/46/88/231044688.db2.gz	MQLRYUCJDNBWMV-UFBFGSQYSA-N	-1	0	397.438	-0.166	10	30		GBEERM
Nc1ncnc2c1c(C#CC[N-]C(=O)C(F)(F)F)cn2[C@H]1C[C@H](O)[C@@H](CO)O1	ZINC000306120806	231044563	/nfs/dbraw/zinc/04/45/63/231044563.db2.gz	SVVZRCQYSUXVDB-HBNTYKKESA-N	-1	0	399.329	-0.316	10	30		GBEERM