smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000033337566	518831759	/nfs/dbraw/zinc/83/17/59/518831759.db2.gz	OTUIDYRFQNZEGZ-LCYFTJDESA-N	-2	1	416.842	3.951	50	30		HHEAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)cc1	ZINC000012560700	527601862	/nfs/dbraw/zinc/60/18/62/527601862.db2.gz	ULUFAZPZYRXTHZ-UHFFFAOYSA-N	-2	1	405.475	3.904	50	30		HHEAML
O=c1c(N=Nc2ccccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000004672250	558886252	/nfs/dbraw/zinc/88/62/52/558886252.db2.gz	HNKZDRFDJUBUQR-BSYVCWPDSA-N	-2	1	401.382	3.519	50	30		HHEAML
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4[O-])c3=O)n2)cc1	ZINC000100341504	559195836	/nfs/dbraw/zinc/19/58/36/559195836.db2.gz	XJPQYICGUUPHAB-PTGBLXJZSA-N	-2	1	407.455	3.715	50	30		HHEAML
O=c1c(N=Nc2ccccc2[O-])c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000012376583	526949960	/nfs/dbraw/zinc/94/99/60/526949960.db2.gz	ZNFWYSFVBJBQIH-ATJXCDBQSA-N	-2	1	401.382	3.519	50	30		HHEAML
O=c1c(N=Nc2ccccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000252608815	569298032	/nfs/dbraw/zinc/29/80/32/569298032.db2.gz	HNKZDRFDJUBUQR-UHFFFAOYSA-N	-2	1	401.382	3.519	50	30		HHEAML
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1N=Cc1cc(Br)ccc1O	ZINC000101057389	560767965	/nfs/dbraw/zinc/76/79/65/560767965.db2.gz	REOMSWAEVOYBOC-KAUTYAIWSA-N	-2	1	412.247	3.627	50	30		HHEAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1	ZINC000013362281	962391127	/nfs/dbraw/zinc/39/11/27/962391127.db2.gz	IUTUMVHAYQIDMV-YIXHJXPBSA-N	-2	1	423.446	3.787	50	30		HHEAML
C=CCN1C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S	ZINC000017058971	569016940	/nfs/dbraw/zinc/01/69/40/569016940.db2.gz	WQHUBHUSCRDVGU-LCYFTJDESA-N	-2	1	416.842	3.951	50	30		HHEAML
COc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc2)cc1	ZINC000071769704	558911140	/nfs/dbraw/zinc/91/11/40/558911140.db2.gz	LMXCQEJYCQEGKZ-HYARGMPZSA-N	-2	1	410.451	3.945	50	30		HHEAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1	ZINC000022756404	527601776	/nfs/dbraw/zinc/60/17/76/527601776.db2.gz	CCSGQRCHKFGAOQ-UHFFFAOYSA-N	-2	1	411.504	3.966	50	30		HHEAML
O=c1c(N=Nc2ccccc2[O-])c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000100006013	559128509	/nfs/dbraw/zinc/12/85/09/559128509.db2.gz	ZNFWYSFVBJBQIH-BSYVCWPDSA-N	-2	1	401.382	3.519	50	30		HHEAML
O=c1c(N=Nc2ccccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1	ZINC000100506193	559135909	/nfs/dbraw/zinc/13/59/09/559135909.db2.gz	HNKZDRFDJUBUQR-ATJXCDBQSA-N	-2	1	401.382	3.519	50	30		HHEAML
C[P@](=O)([O-])C([N-]C(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000100229497	559181007	/nfs/dbraw/zinc/18/10/07/559181007.db2.gz	VXHXVDQDPYQRHD-UHFFFAOYSA-N	-2	1	423.090	3.565	50	30		HHEAML