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(CCN1C(=O)C=CC1=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O	ZINC000002565886	375204119	/nfs/dbraw/zinc/20/41/19/375204119.db2.gz	LCZWUBFBAXMJHL-LURJTMIESA-N	-1	0	346.273	-2.225	40	30		EAEBRM
C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)[O-]	ZINC000004899742	277698049	/nfs/dbraw/zinc/69/80/49/277698049.db2.gz	VSFSOCUDQQNIRC-GUBZILKMSA-N	-1	0	325.321	-1.628	40	30		EAEBRM
C/C(=N\OS(=O)(=O)[O-])S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005742752	414826152	/nfs/dbraw/zinc/82/61/52/414826152.db2.gz	UBTOEGCOMHAXGV-WDJAARHKSA-N	-1	0	333.340	-2.328	40	30	in-man	EAEBRM
C/C(=N\OS(=O)(=O)[O-])S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005742753	414826164	/nfs/dbraw/zinc/82/61/64/414826164.db2.gz	UBTOEGCOMHAXGV-XHOXEXDGSA-N	-1	0	333.340	-2.328	40	30	in-man	EAEBRM
CNC(=O)c1[nH]cnc1[N-]N=C(C(N)=S)C(=O)N1CCOCC1	ZINC000008694886	375185162	/nfs/dbraw/zinc/18/51/62/375185162.db2.gz	ZUUBSKIBMOTWPF-IDUWFGFVSA-N	-1	0	339.381	-1.318	40	30		EAEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC000016385649	374813916	/nfs/dbraw/zinc/81/39/16/374813916.db2.gz	XWUXMGHMKBBAFM-VVINSQQGSA-N	-1	0	328.277	-1.481	40	30		EAEBRM
N#C[C@@]1(C(=O)[O-])[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O	ZINC000017208658	374260788	/nfs/dbraw/zinc/26/07/88/374260788.db2.gz	KCCJHDGRMJHRJW-BOKUZIIVSA-N	-1	0	327.249	-3.257	40	30		EAEBRM
N#C[C@@]1(C(=O)[O-])[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O	ZINC000024980922	374262985	/nfs/dbraw/zinc/26/29/85/374262985.db2.gz	KCCJHDGRMJHRJW-JFEMGPMLSA-N	-1	0	327.249	-3.257	40	30		EAEBRM
CC(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](C=O)CC(=O)[O-])C(C)C	ZINC000025666876	415011266	/nfs/dbraw/zinc/01/12/66/415011266.db2.gz	BGFYQRSQECIBIB-QRTLGDNMSA-N	-1	0	329.353	-1.190	40	30		EAEBRM
C/C(=N/OS(=O)(=O)[O-])S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000034943224	414833879	/nfs/dbraw/zinc/83/38/79/414833879.db2.gz	UBTOEGCOMHAXGV-ZFOQCJLHSA-N	-1	0	333.340	-2.328	40	30		EAEBRM
C/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000034943226	277731635	/nfs/dbraw/zinc/73/16/35/277731635.db2.gz	UBTOEGCOMHAXGV-TYGPFMNFSA-N	-1	0	333.340	-2.328	40	30		EAEBRM
O=C(CCN1C(=O)C=CC1=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O	ZINC000076945297	203367536	/nfs/dbraw/zinc/36/75/36/203367536.db2.gz	LCZWUBFBAXMJHL-ZCFIWIBFSA-N	-1	0	346.273	-2.225	40	30		EAEBRM
CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C=O)CC(=O)[O-])C(C)C	ZINC000095535612	545693763	/nfs/dbraw/zinc/69/37/63/545693763.db2.gz	BGFYQRSQECIBIB-XRNSZHNASA-N	-1	0	329.353	-1.190	40	30		EAEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000253578095	374378953	/nfs/dbraw/zinc/37/89/53/374378953.db2.gz	XWUXMGHMKBBAFM-BUDRZHSMSA-N	-1	0	328.277	-1.481	40	30		EAEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000253578096	374378937	/nfs/dbraw/zinc/37/89/37/374378937.db2.gz	XWUXMGHMKBBAFM-KFYBUAHASA-N	-1	0	328.277	-1.481	40	30		EAEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)c1	ZINC000253578097	374379439	/nfs/dbraw/zinc/37/94/39/374379439.db2.gz	XWUXMGHMKBBAFM-ZEGMBKQMSA-N	-1	0	328.277	-1.481	40	30		EAEBRM
CC(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](C=O)CC(=O)[O-])C(C)C	ZINC000504688205	414851928	/nfs/dbraw/zinc/85/19/28/414851928.db2.gz	BGFYQRSQECIBIB-UISBYWKRSA-N	-1	0	329.353	-1.190	40	30		EAEBRM