smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	ZINC000004899752	181354633	/nfs/dbraw/zinc/35/46/33/181354633.db2.gz	CEXINUGNTZFNRY-BYPYZUCNSA-N	-1	1	235.265	-2.440	10	30		BAEEMM
NCC(=O)NCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000004899754	181351334	/nfs/dbraw/zinc/35/13/34/181351334.db2.gz	IDOGEHIWMJMAHT-BYPYZUCNSA-N	-1	1	235.265	-2.440	10	30		BAEEMM
CC1(C)[C@H](N)C(=O)N1OS(=O)(=O)[O-]	ZINC000034204937	168005149	/nfs/dbraw/zinc/00/51/49/168005149.db2.gz	CDGJTKZKKHLQQN-GSVOUGTGSA-N	-1	1	210.211	-1.331	10	30		BAEEMM
N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000040439696	571761821	/nfs/dbraw/zinc/76/18/21/571761821.db2.gz	FFOKMZOAVHEWET-IMJSIDKUSA-N	-1	1	208.239	-2.195	10	30	endogenous,in-man	BAEEMM
NC(N)=NC(=O)NCCOC[P@](=O)([O-])O	ZINC000040893081	181323178	/nfs/dbraw/zinc/32/31/78/181323178.db2.gz	SBNCHLFQTRZRQQ-UHFFFAOYSA-N	-1	1	240.156	-1.879	10	30		BAEEMM
N[C@@H](CO)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050026964	571765378	/nfs/dbraw/zinc/76/53/78/571765378.db2.gz	FFOKMZOAVHEWET-IUYQGCFVSA-N	-1	1	208.239	-2.195	10	30	endogenous,in-man	BAEEMM
N[C@H](CO)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000050027397	571767377	/nfs/dbraw/zinc/76/73/77/571767377.db2.gz	FFOKMZOAVHEWET-DMTCNVIQSA-N	-1	1	208.239	-2.195	10	30	endogenous,in-man	BAEEMM
N[C@H](CO)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050027410	571767567	/nfs/dbraw/zinc/76/75/67/571767567.db2.gz	FFOKMZOAVHEWET-QWWZWVQMSA-N	-1	1	208.239	-2.195	10	30	endogenous,in-man	BAEEMM
NC(=O)c1cc(-n2cnc(/C(N)=N/[O-])n2)ccn1	ZINC000061843753	181287509	/nfs/dbraw/zinc/28/75/09/181287509.db2.gz	AHFBDDIEAOHQOB-UHFFFAOYSA-N	-1	1	247.218	-1.144	10	30		BAEEMM
CCn1ccnc(-n2cnc(/C(N)=N/[O-])n2)c1=O	ZINC000061843770	172210283	/nfs/dbraw/zinc/21/02/83/172210283.db2.gz	GVVIDSRWTFASOI-UHFFFAOYSA-N	-1	1	249.234	-1.062	10	30		BAEEMM
N/C(=N/[O-])c1ncn(-c2cncc3nnnn32)n1	ZINC000061843789	181180106	/nfs/dbraw/zinc/18/01/06/181180106.db2.gz	INRDEQIXECLUCB-UHFFFAOYSA-N	-1	1	246.194	-1.806	10	30		BAEEMM
Nc1nc(/C(=N/[O-])C(=O)NCC(O)O)cs1	ZINC000065734318	386663777	/nfs/dbraw/zinc/66/37/77/386663777.db2.gz	VRXTXNVEOQTWAG-WZUFQYTHSA-N	-1	1	246.248	-1.670	10	30	in-vitro	BAEEMM
O=c1[n-]c(=O)n(C[C@@H]2CO2)c(=O)n1C[C@@H]1CO1	ZINC000114578851	360457000	/nfs/dbraw/zinc/45/70/00/360457000.db2.gz	WFCOXVISFBRIKN-PHDIDXHHSA-N	-1	1	241.203	-2.504	10	30		BAEEMM
O=c1[n-]c(=O)n(C[C@H]2CO2)c(=O)n1C[C@@H]1CO1	ZINC000114578853	368944660	/nfs/dbraw/zinc/94/46/60/368944660.db2.gz	WFCOXVISFBRIKN-OLQVQODUSA-N	-1	1	241.203	-2.504	10	30		BAEEMM
O=c1[n-]c(=O)n(C[C@H]2CO2)c(=O)n1C[C@H]1CO1	ZINC000114578855	368944518	/nfs/dbraw/zinc/94/45/18/368944518.db2.gz	WFCOXVISFBRIKN-WDSKDSINSA-N	-1	1	241.203	-2.504	10	30		BAEEMM
Nc1ncc(C#CC[C@H](O)CO)c(=O)[n-]1	ZINC000146398334	342769429	/nfs/dbraw/zinc/76/94/29/342769429.db2.gz	PJJFOLVHYIBTPR-ZETCQYMHSA-N	-1	1	209.205	-1.553	10	30		BAEEMM
CC(=O)N([O-])[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000223704889	357017954	/nfs/dbraw/zinc/01/79/54/357017954.db2.gz	XNGRTBJPTAUBTF-DWOUCZDBSA-N	-1	1	237.208	-2.976	10	30		BAEEMM
Cn1[n-]c(=O)c(=O)nc1SCC=O	ZINC000236090162	344297129	/nfs/dbraw/zinc/29/71/29/344297129.db2.gz	JPROPYNJCCZQNX-UHFFFAOYSA-N	-1	1	201.207	-1.240	10	30		BAEEMM
Cn1[n-]c(=O)c(=O)nc1SC[C@@H]1CO1	ZINC000236092556	346191077	/nfs/dbraw/zinc/19/10/77/346191077.db2.gz	KCQBNHUAAFWJRX-BYPYZUCNSA-N	-1	1	215.234	-1.041	10	30		BAEEMM
Cn1[n-]c(=O)c(=O)nc1SC[C@H]1CO1	ZINC000236093470	350729987	/nfs/dbraw/zinc/72/99/87/350729987.db2.gz	KCQBNHUAAFWJRX-SCSAIBSYSA-N	-1	1	215.234	-1.041	10	30		BAEEMM
NC(=O)CO[N-]C(=O)C#CBr	ZINC000306409106	359797582	/nfs/dbraw/zinc/79/75/82/359797582.db2.gz	NRWAWSBZWXYONG-UHFFFAOYSA-N	-1	1	221.010	-1.125	10	30		BAEEMM
C#CCOn1c([O-])c(F)c(=O)[nH]c1=O	ZINC000306735677	350904785	/nfs/dbraw/zinc/90/47/85/350904785.db2.gz	WLKZTPFCRIHRIK-BYPYZUCNSA-N	-1	1	200.125	-1.032	10	30		BAEEMM
C#CCOn1c([O-])c(F)c(=O)[nH]c1=O	ZINC000306735678	350904717	/nfs/dbraw/zinc/90/47/17/350904717.db2.gz	WLKZTPFCRIHRIK-SCSAIBSYSA-N	-1	1	200.125	-1.032	10	30		BAEEMM
CC(=O)N([O-])[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000584643306	358328580	/nfs/dbraw/zinc/32/85/80/358328580.db2.gz	XNGRTBJPTAUBTF-JAJWTYFOSA-N	-1	1	237.208	-2.976	10	30		BAEEMM
CC(=O)N([O-])[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O	ZINC000585139089	346647947	/nfs/dbraw/zinc/64/79/47/346647947.db2.gz	SOWDFTVNCACHGC-UIAUGNHASA-N	-1	1	237.208	-2.976	10	30		BAEEMM