smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(N)nc(-c2ccc(C(=O)[O-])cc2)cc1-c1ccccc1OCC(=O)[O-]	ZINC000072139089	205309163	/nfs/dbraw/zinc/30/91/63/205309163.db2.gz	CPTACFYESKYMFW-UHFFFAOYSA-N	-2	0	389.367	3.031	50	30		GGEARL
O=C([O-])CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102538971	527590656	/nfs/dbraw/zinc/59/06/56/527590656.db2.gz	DHIIVUAYLIQJPE-HVESIFNPSA-N	-2	0	385.803	3.236	50	30		GGEARL
O=C([O-])CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000005483974	570611820	/nfs/dbraw/zinc/61/18/20/570611820.db2.gz	RNFNQANVJQBKNL-GROYHEBESA-N	-2	0	385.803	3.236	50	30		GGEARL
Cc1cc(N(C)/N=C/c2ccc(OCC(=O)[O-])cc2)nc(-c2ccccc2[O-])n1	ZINC000004977390	525012818	/nfs/dbraw/zinc/01/28/18/525012818.db2.gz	ZOGCMOPVGHRQEG-WSDLNYQXSA-N	-2	0	392.415	3.091	50	30		GGEARL
O=C([O-])CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000005484032	570612049	/nfs/dbraw/zinc/61/20/49/570612049.db2.gz	RNFNQANVJQBKNL-HVESIFNPSA-N	-2	0	385.803	3.236	50	30		GGEARL
O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c([O-])c1	ZINC000006220320	564221368	/nfs/dbraw/zinc/22/13/68/564221368.db2.gz	ANHPCNIOMROYEE-GIDUJCDVSA-N	-2	0	382.126	3.427	50	30		GGEARL
C=C(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)[O-]	ZINC000038528782	570251859	/nfs/dbraw/zinc/25/18/59/570251859.db2.gz	JNPHNLUWBHJCHM-GOSISDBHSA-N	-2	0	381.384	3.009	50	30		GGEARL
CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2OCC(=O)[O-])c1	ZINC000000731787	570221568	/nfs/dbraw/zinc/22/15/68/570221568.db2.gz	LPTXKQBEOZJGJO-RGVLZGJSSA-N	-2	0	398.444	3.352	50	30		GGEARL
C=C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)[O-]	ZINC000002583209	570333608	/nfs/dbraw/zinc/33/36/08/570333608.db2.gz	JNPHNLUWBHJCHM-SFHVURJKSA-N	-2	0	381.384	3.009	50	30		GGEARL
COc1ccc([C@H](c2c(C)noc2[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000198253977	1433348707	/nfs/dbraw/zinc/34/87/07/1433348707.db2.gz	QPJXQKRZYIJENL-PMACEKPBSA-N	-2	0	391.427	3.163	50	30		GGEARL
O=C([O-])CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000102538978	527589525	/nfs/dbraw/zinc/58/95/25/527589525.db2.gz	DHIIVUAYLIQJPE-GROYHEBESA-N	-2	0	385.803	3.236	50	30		GGEARL
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000006220275	564221648	/nfs/dbraw/zinc/22/16/48/564221648.db2.gz	SGSPZRHSSKZDBN-GIDUJCDVSA-N	-2	0	382.126	3.427	50	30		GGEARL
COc1ccc([C@@H](c2c(C)noc2[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000198253989	1433348740	/nfs/dbraw/zinc/34/87/40/1433348740.db2.gz	QPJXQKRZYIJENL-WOJBJXKFSA-N	-2	0	391.427	3.163	50	30		GGEARL
COc1cc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc(OC)c1[O-]	ZINC000012389738	533131798	/nfs/dbraw/zinc/13/17/98/533131798.db2.gz	VXNSQBKIFLWZNY-OAHLLOKOSA-N	-2	0	386.408	3.014	50	30		GGEARL
O=C([O-])c1ccc(NN=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)cc1	ZINC000004743302	564206500	/nfs/dbraw/zinc/20/65/00/564206500.db2.gz	DPDVRZICPWKPHQ-FRKPEAEDSA-N	-2	0	380.154	3.207	50	30		GGEARL
COc1cc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc(OC)c1[O-]	ZINC000012389737	570640374	/nfs/dbraw/zinc/64/03/74/570640374.db2.gz	VXNSQBKIFLWZNY-HNNXBMFYSA-N	-2	0	386.408	3.014	50	30		GGEARL
CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N/c1cccc(C(=O)[O-])c1	ZINC000100927934	570781099	/nfs/dbraw/zinc/78/10/99/570781099.db2.gz	ZSECGHCATMNBLV-SDHVYIKKSA-N	-2	0	399.384	3.232	50	30		GGEARL
COc1ccc([C@H](c2c(C)noc2[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000198253999	1433348695	/nfs/dbraw/zinc/34/86/95/1433348695.db2.gz	QPJXQKRZYIJENL-UXHICEINSA-N	-2	0	391.427	3.163	50	30		GGEARL
COc1ccc([C@@H](c2c(C)noc2[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000198253970	1433348729	/nfs/dbraw/zinc/34/87/29/1433348729.db2.gz	QPJXQKRZYIJENL-VQTJNVASSA-N	-2	0	391.427	3.163	50	30		GGEARL