smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc4ccccc4c3)n[nH]2)c([S-])cc1Cl	ZINC000001642335	555707934	/nfs/dbraw/zinc/70/79/34/555707934.db2.gz	FVYYYOQJBIBEHF-UHFFFAOYSA-N	-1	2	445.957	4.753	40	0		IJABLM
COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000002751005	568788969	/nfs/dbraw/zinc/78/89/69/568788969.db2.gz	AOFVNEWOAJMCCZ-DEOSSOPVSA-N	-1	2	439.471	4.842	40	0		IJABLM
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000009679117	568794347	/nfs/dbraw/zinc/79/43/47/568794347.db2.gz	MJTZAJJWMYRBFU-HSZRJFAPSA-N	-1	2	427.435	4.972	40	0		IJABLM
COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000002751006	568788937	/nfs/dbraw/zinc/78/89/37/568788937.db2.gz	AOFVNEWOAJMCCZ-XMMPIXPASA-N	-1	2	439.471	4.842	40	0		IJABLM
COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000009679087	557192392	/nfs/dbraw/zinc/19/23/92/557192392.db2.gz	UHDGXDIUQFQCHC-HSZRJFAPSA-N	-1	2	425.444	4.533	40	0		IJABLM
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000035147357	555892365	/nfs/dbraw/zinc/89/23/65/555892365.db2.gz	ZSLWDTUWBYOFPY-QHCPKHFHSA-N	-1	2	425.444	4.539	40	0		IJABLM
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000035147356	555892334	/nfs/dbraw/zinc/89/23/34/555892334.db2.gz	ZSLWDTUWBYOFPY-HSZRJFAPSA-N	-1	2	425.444	4.539	40	0		IJABLM
CC(C)=CCC/C(C)=C/Cc1ccc(O)c(C(=O)c2c(O)cc(C=O)cc2C(=O)[O-])c1O	ZINC000031168276	291387842	/nfs/dbraw/zinc/38/78/42/291387842.db2.gz	HTPFCQBRMHUAEU-VIZOYTHASA-N	-1	2	438.476	4.780	40	0	biogenic,in-vitro	IJABLM
COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000009679088	557192415	/nfs/dbraw/zinc/19/24/15/557192415.db2.gz	UHDGXDIUQFQCHC-QHCPKHFHSA-N	-1	2	425.444	4.533	40	0		IJABLM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000102720207	557131316	/nfs/dbraw/zinc/13/13/16/557131316.db2.gz	PRWRJGNDJHHWEO-PZUNEJSGSA-N	-1	2	426.516	4.971	40	0		IJABLM
Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000009679118	568794313	/nfs/dbraw/zinc/79/43/13/568794313.db2.gz	MJTZAJJWMYRBFU-QHCPKHFHSA-N	-1	2	427.435	4.972	40	0		IJABLM