smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(NN[C@H](C#N)c2ccccc2[O-])n1	ZINC000017219199	348053365	/nfs/dbraw/zinc/05/33/65/348053365.db2.gz	KVRRKFIUABQPRC-SNVBAGLBSA-N	-2	3	271.280	0.965	40	30		CCEBHL
Cc1ccc(-n2c([O-])c(C=O)c(=O)[n-]c2=S)cc1C	ZINC000408850255	389376765	/nfs/dbraw/zinc/37/67/65/389376765.db2.gz	JPFPPMGXZZEVFD-JTQLQIEISA-N	-2	3	276.317	0.866	40	30		CCEBHL
Cn1c(=O)c(-c2cc(=O)o[n-]2)c([O-])c2ccccc21	ZINC000101513441	349662582	/nfs/dbraw/zinc/66/25/82/349662582.db2.gz	OYDZYLKFXKGEKA-UHFFFAOYSA-N	-2	3	258.233	0.895	40	30		CCEBHL
O=c1cc([O-])nc(NC2=CC(=O)C(=O)c3ccccc32)[n-]1	ZINC000016926131	348051213	/nfs/dbraw/zinc/05/12/13/348051213.db2.gz	FPGNFAYNEWLIKU-UHFFFAOYSA-N	-2	3	283.243	0.694	40	30		CCEBHL
C=CCNC(=O)CSc1nc([O-])c(C(C)C)c(=O)[n-]1	ZINC000013453719	388787383	/nfs/dbraw/zinc/78/73/83/388787383.db2.gz	XKSXXSZNALSHEN-UHFFFAOYSA-N	-2	3	283.353	0.993	40	30		CCEBHL
CN(C)c1ccc(C=C2C(=O)[N-]C(=S)C(N)=C2[O-])cc1	ZINC000020494059	282280306	/nfs/dbraw/zinc/28/03/06/282280306.db2.gz	LTXMBSLIQBFVNE-HUYFXPKMSA-N	-2	3	289.360	0.490	40	30		CCEBHL
O=C([O-])c1ccc(N=NCc2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000017420802	348054503	/nfs/dbraw/zinc/05/45/03/348054503.db2.gz	VZQWZSAXYLFMOC-AWNIVKPZSA-N	-2	3	274.236	0.620	40	30		CCEBHL
O=C([O-])c1ccc(N=NCc2cc(=O)[n-]c(=O)[nH]2)cc1	ZINC000017420798	348054735	/nfs/dbraw/zinc/05/47/35/348054735.db2.gz	VZQWZSAXYLFMOC-MLPAPPSSSA-N	-2	3	274.236	0.620	40	30		CCEBHL
Nn1cn[n-]c1=N/N=C/c1c([O-])ccc2ccccc21	ZINC000408719196	389375767	/nfs/dbraw/zinc/37/57/67/389375767.db2.gz	AFKOGNZIGPKIOM-VIZOYTHASA-N	-2	3	268.280	0.719	40	30		CCEBHL
Cc1ccc(-n2c([O-])c(C=O)c(=O)[n-]c2=S)cc1C	ZINC000408850256	389376794	/nfs/dbraw/zinc/37/67/94/389376794.db2.gz	JPFPPMGXZZEVFD-SNVBAGLBSA-N	-2	3	276.317	0.866	40	30		CCEBHL
O=C1CN(/N=C/c2cc([N+](=O)[O-])ccc2[O-])C(=O)[N-]1	ZINC000023042745	348083691	/nfs/dbraw/zinc/08/36/91/348083691.db2.gz	LKXZPSOOSIRTEI-NYYWCZLTSA-N	-2	3	264.197	0.186	40	30		CCEBHL
Cc1ccc([N-]N=C2C(=O)[N-]C(=O)NC2=O)c([N+](=O)[O-])c1	ZINC000004893679	230369219	/nfs/dbraw/zinc/36/92/19/230369219.db2.gz	WMSHGOWCDGAAMH-UHFFFAOYSA-N	-2	3	291.223	0.877	40	30		CCEBHL
[O-]/N=C\C(=N\O)SCCSC(/C=N\[O-])=N\O	ZINC000104247943	349712797	/nfs/dbraw/zinc/71/27/97/349712797.db2.gz	VSORVPDDIXGDTR-MERKUPPJSA-N	-2	3	266.304	0.948	40	30		CCEBHL
Cc1cc(=O)[n-]c(NN[C@@H](C#N)c2ccccc2[O-])n1	ZINC000016958262	348051815	/nfs/dbraw/zinc/05/18/15/348051815.db2.gz	KVRRKFIUABQPRC-JTQLQIEISA-N	-2	3	271.280	0.965	40	30		CCEBHL
CN(C)c1ccc(C=C2C(=O)[N-]C(=S)C(N)=C2[O-])cc1	ZINC000020494062	282280284	/nfs/dbraw/zinc/28/02/84/282280284.db2.gz	LTXMBSLIQBFVNE-PFEDMVJOSA-N	-2	3	289.360	0.490	40	30		CCEBHL
O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N[O-]	ZINC000217594652	351949240	/nfs/dbraw/zinc/94/92/40/351949240.db2.gz	DYMGMJKWRRZXTJ-UHFFFAOYSA-N	-2	3	269.204	0.799	40	30		CCEBHL
O=C([N-]O)c1c(F)c(F)c(C(=O)[N-]O)c(F)c1F	ZINC000016953495	348051287	/nfs/dbraw/zinc/05/12/87/348051287.db2.gz	WRCADZDXHCNTEN-UHFFFAOYSA-N	-2	3	268.122	0.481	40	30		CCEBHL
CCc1n[n-]c(=NN=C2C(=O)[N-]C(=S)NC2=O)s1	ZINC000038191103	348226645	/nfs/dbraw/zinc/22/66/45/348226645.db2.gz	PFBGFRYRLZJKNM-UHFFFAOYSA-N	-2	3	284.326	0.240	40	30		CCEBHL
N#C[C@@]12C(=C([O-])c3ccccc3)[C@]1(C#N)C(=O)[N-]C2=O	ZINC000100242310	349656492	/nfs/dbraw/zinc/65/64/92/349656492.db2.gz	MNHCXUORFGREIR-FTNCPSPGSA-N	-2	3	265.228	0.175	40	30		CCEBHL
Cc1cc(=O)[n-]c(NN=Cc2ccc(O)cc2[O-])n1	ZINC000050697634	526118857	/nfs/dbraw/zinc/11/88/57/526118857.db2.gz	RYZIIDSCZBDEEN-MLPAPPSSSA-N	-2	3	260.253	0.936	40	30		CCEBHL
CCc1n[n-]c(=N/N=C/c2cc(Cl)ccc2[O-])n1N	ZINC000408720494	389376094	/nfs/dbraw/zinc/37/60/94/389376094.db2.gz	RLAXGMVTYLRQLJ-MKMNVTDBSA-N	-2	3	280.719	0.781	40	30		CCEBHL