smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCCc1n[nH]c(=O)[n-]1)[C@H](O)c1ccccc1Cl	ZINC000217073746	351945072	/nfs/dbraw/zinc/94/50/72/351945072.db2.gz	JGPGEGYBPQALFV-SNVBAGLBSA-N	-1	0	296.714	0.144	50	70		CCIARM
O=C(Cc1cc(=O)[nH][n-]c1=O)NC1(c2ccccc2)CC1	ZINC000217438784	351947630	/nfs/dbraw/zinc/94/76/30/351947630.db2.gz	RWBUEHVSDQAEII-UHFFFAOYSA-N	-1	0	285.303	0.411	50	70		CCIARM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(SCCO)cc1	ZINC000217582308	351949104	/nfs/dbraw/zinc/94/91/04/351949104.db2.gz	JHRAPBGTXMLZTL-UHFFFAOYSA-N	-1	0	294.336	0.112	50	70		CCIARM
C[C@H](c1ccncc1)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O	ZINC000217531948	567947943	/nfs/dbraw/zinc/94/79/43/567947943.db2.gz	KRGHHKCYFPTQCP-SECBINFHSA-N	-1	0	288.307	0.302	50	70		CCIARM
O=C(NCCc1n[nH]c(=O)[n-]1)[C@@H](O)c1ccccc1Cl	ZINC000217073714	351945315	/nfs/dbraw/zinc/94/53/15/351945315.db2.gz	JGPGEGYBPQALFV-JTQLQIEISA-N	-1	0	296.714	0.144	50	70		CCIARM
Cc1nn(CC(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)c(C)c1Cl	ZINC000217689498	351950043	/nfs/dbraw/zinc/95/00/43/351950043.db2.gz	FRCHDIFJPSCONC-ZCFIWIBFSA-N	-1	0	298.734	0.442	50	70		CCIARM
Cc1nc(NCc2n[nH]c(=O)[n-]2)cc(C2CC(O)C2)n1	ZINC000218024541	262345311	/nfs/dbraw/zinc/34/53/11/262345311.db2.gz	CKCLFJRSWUPQCF-UHFFFAOYSA-N	-1	0	276.300	0.047	50	70		CCIARM
Cc1cc(=O)n2nc(CC(=O)N3CC=C(C)CC3)[n-]c2n1	ZINC000217455033	351948072	/nfs/dbraw/zinc/94/80/72/351948072.db2.gz	PMBMCEPENPGFKH-UHFFFAOYSA-N	-1	0	287.323	0.859	50	70		CCIARM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1O	ZINC000216996654	351944242	/nfs/dbraw/zinc/94/42/42/351944242.db2.gz	MHKAZBQPTBNBSR-UHFFFAOYSA-N	-1	0	284.275	0.887	50	70		CCIARM
Cc1nnc(-c2cccc(C(=O)[N-]S(C)(=O)=O)c2)o1	ZINC000161077063	350712014	/nfs/dbraw/zinc/71/20/14/350712014.db2.gz	IRKSUDXQANKADJ-UHFFFAOYSA-N	-1	0	281.293	0.734	50	70		CCIARM
O=C(c1ccncc1[O-])N1CCN(CCCCO)CC1	ZINC000218765635	351961716	/nfs/dbraw/zinc/96/17/16/351961716.db2.gz	ZMYRADPSMCHRJB-UHFFFAOYSA-N	-1	0	279.340	0.318	50	70		CCIARM
Cc1nn(CC(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)c(C)c1Cl	ZINC000217689410	351950107	/nfs/dbraw/zinc/95/01/07/351950107.db2.gz	FRCHDIFJPSCONC-LURJTMIESA-N	-1	0	298.734	0.442	50	70		CCIARM
COCCc1noc([C@H](C)NC(=O)c2ccncc2[O-])n1	ZINC000218055947	389135324	/nfs/dbraw/zinc/13/53/24/389135324.db2.gz	ANHPOWBTQOHGAA-QMMMGPOBSA-N	-1	0	292.295	0.850	50	70		CCIARM
COCCc1noc([C@@H](C)NC(=O)c2ccncc2[O-])n1	ZINC000218055886	351954417	/nfs/dbraw/zinc/95/44/17/351954417.db2.gz	ANHPOWBTQOHGAA-MRVPVSSYSA-N	-1	0	292.295	0.850	50	70		CCIARM
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)[n-]o1)C2	ZINC000217660904	351949812	/nfs/dbraw/zinc/94/98/12/351949812.db2.gz	SLUXYZAKDUKQQP-SSDOTTSWSA-N	-1	0	278.268	0.286	50	70		CCIARM
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(=O)[n-]o1)C2	ZINC000217660981	351950141	/nfs/dbraw/zinc/95/01/41/351950141.db2.gz	SLUXYZAKDUKQQP-ZETCQYMHSA-N	-1	0	278.268	0.286	50	70		CCIARM
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)F)cc1	ZINC000149056319	949354666	/nfs/dbraw/zinc/35/46/66/949354666.db2.gz	OOMMHFFAOASVEW-UHFFFAOYSA-N	-1	0	261.230	0.159	50	70		CCIARM