smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cccc(C(C)C)c1NC(=O)c1ccccc1[O-]	ZINC000189897410	329388608	/nfs/dbraw/zinc/38/86/08/329388608.db2.gz	HQXPBBCMNBMJGI-UHFFFAOYSA-N	-1	1	295.382	4.496	20	30		CIEDMM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)c1	ZINC000177775413	333062888	/nfs/dbraw/zinc/06/28/88/333062888.db2.gz	LYTMRECOFQCPQP-CQSZACIVSA-N	-1	1	298.411	4.373	20	30		CIEDMM
C=CCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCCC1	ZINC000456778615	331203165	/nfs/dbraw/zinc/20/31/65/331203165.db2.gz	HHHZEDXBXFHFMX-UHFFFAOYSA-N	-1	1	295.329	4.136	20	30		CIEDMM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1C	ZINC000080452288	334171729	/nfs/dbraw/zinc/17/17/29/334171729.db2.gz	AMAZDZHQQPACPF-CQSZACIVSA-N	-1	1	298.411	4.373	20	30		CIEDMM
C=C(C)CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1	ZINC000506378512	332771573	/nfs/dbraw/zinc/77/15/73/332771573.db2.gz	BTJYBUSWQKZCCD-UHFFFAOYSA-N	-1	1	286.400	4.216	20	30		CIEDMM
COc1cc(C(=O)NC2(C)CCCCC2)cc(Cl)c1[O-]	ZINC000331288897	264195931	/nfs/dbraw/zinc/19/59/31/264195931.db2.gz	VGANNNQILSDNJW-UHFFFAOYSA-N	-1	1	297.782	4.082	20	30		CIEDMM
C=CCCCCCN(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000436532133	330679285	/nfs/dbraw/zinc/67/92/85/330679285.db2.gz	VKVVIXLNOAVADE-UHFFFAOYSA-N	-1	1	297.398	4.364	20	30		CIEDMM
Cc1ccc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000080456272	334171620	/nfs/dbraw/zinc/17/16/20/334171620.db2.gz	ZONNLNCUCWIVSJ-CQSZACIVSA-N	-1	1	298.411	4.373	20	30		CIEDMM
Cc1ccc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1	ZINC000080456275	334171645	/nfs/dbraw/zinc/17/16/45/334171645.db2.gz	ZONNLNCUCWIVSJ-AWEZNQCLSA-N	-1	1	298.411	4.373	20	30		CIEDMM
Cc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C	ZINC000080451235	334171657	/nfs/dbraw/zinc/17/16/57/334171657.db2.gz	MMRDXNJLBNPQRH-CQSZACIVSA-N	-1	1	298.411	4.373	20	30		CIEDMM
Cc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C	ZINC000080451242	334171755	/nfs/dbraw/zinc/17/17/55/334171755.db2.gz	MMRDXNJLBNPQRH-AWEZNQCLSA-N	-1	1	298.411	4.373	20	30		CIEDMM
C=CCCCCCN(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000436532672	330679294	/nfs/dbraw/zinc/67/92/94/330679294.db2.gz	WNKJFDQUCRNQNM-UHFFFAOYSA-N	-1	1	297.398	4.364	20	30		CIEDMM
C=C(C)CCc1noc(-c2ccc3ccccc3c2[O-])n1	ZINC000436685234	330682645	/nfs/dbraw/zinc/68/26/45/330682645.db2.gz	KZWCJQBZKQHMTM-UHFFFAOYSA-N	-1	1	280.327	4.104	20	30		CIEDMM
Cc1csc(C(C#N)=C([O-])c2ccc3sccc3c2)n1	ZINC000351947704	228168165	/nfs/dbraw/zinc/16/81/65/228168165.db2.gz	VDOHCECFLXFXOT-LBPRGKRZSA-N	-1	1	298.392	4.156	20	30		CIEDMM
C=C(CC)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1	ZINC000467209239	331412531	/nfs/dbraw/zinc/41/25/31/331412531.db2.gz	YZXZSPFQUSMHGU-UHFFFAOYSA-N	-1	1	286.400	4.216	20	30		CIEDMM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1C	ZINC000080452294	334171661	/nfs/dbraw/zinc/17/16/61/334171661.db2.gz	AMAZDZHQQPACPF-AWEZNQCLSA-N	-1	1	298.411	4.373	20	30		CIEDMM
Cc1csc(C(C#N)=C([O-])c2ccc3sccc3c2)n1	ZINC000351947703	228168234	/nfs/dbraw/zinc/16/82/34/228168234.db2.gz	VDOHCECFLXFXOT-GFCCVEGCSA-N	-1	1	298.392	4.156	20	30		CIEDMM
C=CCC(C)(C)c1noc(-c2ccc3ccccc3c2[O-])n1	ZINC000436568256	330680222	/nfs/dbraw/zinc/68/02/22/330680222.db2.gz	WLVXAEWIKPRHDM-UHFFFAOYSA-N	-1	1	294.354	4.449	20	30		CIEDMM
C=C(C)C[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1	ZINC000436869038	330687168	/nfs/dbraw/zinc/68/71/68/330687168.db2.gz	CFZOXZYGCNHAFQ-VIFPVBQESA-N	-1	1	278.739	4.165	20	30		CIEDMM
C=C(C)[C@@H]([N-]c1nc(C(C)C)no1)c1ccc(F)c(F)c1	ZINC000302435251	526758581	/nfs/dbraw/zinc/75/85/81/526758581.db2.gz	QHVNLBLEJVCGED-CYBMUJFWSA-N	-1	1	293.317	4.201	20	30		CIEDMM
Cc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)c1	ZINC000177775422	333062923	/nfs/dbraw/zinc/06/29/23/333062923.db2.gz	LYTMRECOFQCPQP-AWEZNQCLSA-N	-1	1	298.411	4.373	20	30		CIEDMM