smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1Cl)NCP(=O)([O-])[O-])C(=O)[O-]	ZINC000013779379	563006149	/nfs/dbraw/zinc/00/61/49/563006149.db2.gz	ZQPJYEAKRRNXJM-HOTGVXAUSA-N	-3	3	430.825	1.791	1	30		IDEFHL
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000028769382	563064304	/nfs/dbraw/zinc/06/43/04/563064304.db2.gz	IEVZTPJUFMSHHO-CBVHJVASSA-N	-2	3	435.521	1.497	1	30		IDEFHL
CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000028769371	563064368	/nfs/dbraw/zinc/06/43/68/563064368.db2.gz	IEVZTPJUFMSHHO-QNDJGXFYSA-N	-2	3	435.521	1.497	1	30		IDEFHL
O=C([O-])c1cc([O-])cc(C(=O)N[C@@H](CCS)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000036185354	563091800	/nfs/dbraw/zinc/09/18/00/563091800.db2.gz	PGYPBHRBMFXDCC-DLBZAZTESA-N	-3	3	446.481	1.321	1	30		IDEFHL
O=C([O-])c1cc([O-])cc(C(=O)N[C@H](CCS)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000036185352	563091888	/nfs/dbraw/zinc/09/18/88/563091888.db2.gz	PGYPBHRBMFXDCC-IAGOWNOFSA-N	-3	3	446.481	1.321	1	30		IDEFHL
COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C(=O)[O-])s3)NC(=O)[N-]C1=O)C2	ZINC000096173729	563195978	/nfs/dbraw/zinc/19/59/78/563195978.db2.gz	OAMXMFDXINASMJ-FQEVSTJZSA-N	-2	3	425.422	1.041	1	30		IDEFHL
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-]	ZINC000013779372	563006108	/nfs/dbraw/zinc/00/61/08/563006108.db2.gz	FHUNSTCXYNMIRB-OALUTQOASA-N	-3	3	448.387	1.473	1	30		IDEFHL
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2[O-])C1	ZINC000035079665	563089348	/nfs/dbraw/zinc/08/93/48/563089348.db2.gz	OGPMPBKHTVYOOM-NEPJUHHUSA-N	-2	3	430.446	1.498	1	30		IDEFHL
CC[C@H](C)[C@@H](NC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000028769378	563064308	/nfs/dbraw/zinc/06/43/08/563064308.db2.gz	IEVZTPJUFMSHHO-OYSPMZIOSA-N	-2	3	435.521	1.497	1	30		IDEFHL
CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)([O-])[O-])C(=O)[O-]	ZINC000013779369	563006123	/nfs/dbraw/zinc/00/61/23/563006123.db2.gz	UJDQJONXBJDHMR-HOTGVXAUSA-N	-3	3	432.360	1.415	1	30		IDEFHL
C[C@](O)(C(=O)N[O-])[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000027903531	563048481	/nfs/dbraw/zinc/04/84/81/563048481.db2.gz	ZLRCEJNKSZLBHZ-SFYKDHMMSA-N	-2	3	428.485	1.694	1	30		IDEFHL
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COS(=O)(=O)[N-]C(=O)c2ccccc2[O-])C1	ZINC000035079668	563089337	/nfs/dbraw/zinc/08/93/37/563089337.db2.gz	NOFLWHBOYKZDHC-NEPJUHHUSA-N	-2	3	432.462	1.722	1	30		IDEFHL
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000028769375	563064274	/nfs/dbraw/zinc/06/42/74/563064274.db2.gz	IEVZTPJUFMSHHO-FXECBMLZSA-N	-2	3	435.521	1.497	1	30		IDEFHL
COc1ccccc1C#CC[C@H](NCP(=O)([O-])[O-])C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000029330047	563078086	/nfs/dbraw/zinc/07/80/86/563078086.db2.gz	ZDYHILCYVCQAML-HOTGVXAUSA-N	-3	3	426.406	1.146	1	30		IDEFHL