smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cccc(Nc2c3ccccc3nc3ccccc32)c1	ZINC000005422260	170097795	/nfs/dbraw/zinc/09/77/95/170097795.db2.gz	WXROLRGGANVSPA-UHFFFAOYSA-N	0	3	285.350	4.714	10	10		CJCEHN
Nc1ccccc1Nc1c2ccccc2nc2ccccc21	ZINC000005422269	170097786	/nfs/dbraw/zinc/09/77/86/170097786.db2.gz	BAUGCEXLSBLNFU-UHFFFAOYSA-N	0	3	285.350	4.714	10	10		CJCEHN
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c([O-])c1	ZINC000020124325	171006588	/nfs/dbraw/zinc/00/65/88/171006588.db2.gz	LVTSVOMCQLRRPS-STQMWFEESA-N	0	3	289.806	4.766	10	10		CJCEHN
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c([O-])c1	ZINC000020124327	171006530	/nfs/dbraw/zinc/00/65/30/171006530.db2.gz	LVTSVOMCQLRRPS-QWHCGFSZSA-N	0	3	289.806	4.766	10	10		CJCEHN
Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1cccs1	ZINC000020148468	171036836	/nfs/dbraw/zinc/03/68/36/171036836.db2.gz	VYHZYCSCXJSNEW-FRRDWIJNSA-N	0	3	287.428	4.661	10	10		CJCEHN
Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)c1cccs1	ZINC000020148469	171037135	/nfs/dbraw/zinc/03/71/35/171037135.db2.gz	VYHZYCSCXJSNEW-RWMBFGLXSA-N	0	3	287.428	4.661	10	10		CJCEHN
Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1cccs1	ZINC000020148470	171037006	/nfs/dbraw/zinc/03/70/06/171037006.db2.gz	VYHZYCSCXJSNEW-AGIUHOORSA-N	0	3	287.428	4.661	10	10		CJCEHN
Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)c1cccs1	ZINC000020148471	171036618	/nfs/dbraw/zinc/03/66/18/171036618.db2.gz	VYHZYCSCXJSNEW-AVGNSLFASA-N	0	3	287.428	4.661	10	10		CJCEHN
CC[C@@H]([NH2+]C1CCCCCCC1)c1ccccc1[O-]	ZINC000020549865	171246699	/nfs/dbraw/zinc/24/66/99/171246699.db2.gz	HRYVBGCQZMCDHL-MRXNPFEDSA-N	0	3	261.409	4.546	10	10		CJCEHN
CC[C@H]([NH2+]C1CCCCCCC1)c1ccccc1[O-]	ZINC000020549866	171246712	/nfs/dbraw/zinc/24/67/12/171246712.db2.gz	HRYVBGCQZMCDHL-INIZCTEOSA-N	0	3	261.409	4.546	10	10		CJCEHN
CCCC[C@H](CC)C[NH2+][C@H](CC)c1ccccc1[O-]	ZINC000020558589	171250716	/nfs/dbraw/zinc/25/07/16/171250716.db2.gz	OXMDRFKDSYSIHL-GOEBONIOSA-N	0	3	263.425	4.649	10	10		CJCEHN
COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1C	ZINC000035052554	171953101	/nfs/dbraw/zinc/95/31/01/171953101.db2.gz	ADBOAPUNVRKVBM-CYBMUJFWSA-N	0	3	289.806	4.508	10	10		CJCEHN
Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c1	ZINC000035628787	172307799	/nfs/dbraw/zinc/30/77/99/172307799.db2.gz	JIEGSKHQOQMCJX-QWHCGFSZSA-N	0	3	289.806	4.766	10	10		CJCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c1	ZINC000035628788	172308021	/nfs/dbraw/zinc/30/80/21/172308021.db2.gz	JIEGSKHQOQMCJX-STQMWFEESA-N	0	3	289.806	4.766	10	10		CJCEHN