smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000005162772	204195743	/nfs/dbraw/zinc/19/57/43/204195743.db2.gz	QPLRHBSMCAJLGG-UHFFFAOYSA-N	0	3	363.442	3.920	10	10		FHCEHN
CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877880	204279792	/nfs/dbraw/zinc/27/97/92/204279792.db2.gz	OSCUVUUEEXALBH-NRFANRHFSA-N	0	3	365.521	3.879	10	10		FHCEHN
O=C1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]2N1Cc1ccc(F)cc1	ZINC000015005073	570828938	/nfs/dbraw/zinc/82/89/38/570828938.db2.gz	ZGHTWHHVPPWJMK-XLIONFOSSA-N	0	3	368.452	3.544	10	10		FHCEHN
O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]2N1Cc1ccc(F)cc1	ZINC000015005073	570828939	/nfs/dbraw/zinc/82/89/39/570828939.db2.gz	ZGHTWHHVPPWJMK-XLIONFOSSA-N	0	3	368.452	3.544	10	10		FHCEHN
CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1	ZINC000006877879	204279897	/nfs/dbraw/zinc/27/98/97/204279897.db2.gz	OSCUVUUEEXALBH-OAQYLSRUSA-N	0	3	365.521	3.879	10	10		FHCEHN
COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccsc4)C3)CC2)cc1	ZINC000023373386	136152701	/nfs/dbraw/zinc/15/27/01/136152701.db2.gz	HAUJTUYNDAMVQO-HXUWFJFHSA-N	0	3	371.550	3.543	10	10		FHCEHN
CN(C)CC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1[O-]	ZINC000045315395	208330485	/nfs/dbraw/zinc/33/04/85/208330485.db2.gz	FXWBDCWMIQRRHO-UHFFFAOYSA-N	0	3	355.869	3.912	10	10		FHCEHN
CCOc1ccc(CNCc2ccc(OC)c(Cn3ccnc3)c2)cc1	ZINC000009740766	207285748	/nfs/dbraw/zinc/28/57/48/207285748.db2.gz	FEAYGBIBDHPSFS-UHFFFAOYSA-N	0	3	351.450	3.629	10	10		FHCEHN
CN1CCCc2cc([C@H](CNC(=O)C(C)(C)C)N3CCCCC3)ccc21	ZINC000009137525	536397578	/nfs/dbraw/zinc/39/75/78/536397578.db2.gz	GBKRLZXUOKQYLX-FQEVSTJZSA-N	0	3	357.542	3.758	10	10		FHCEHN
COc1ccc(N2CCN([C@H]3CCCN(Cc4ccsc4)C3)CC2)cc1	ZINC000023373388	136152747	/nfs/dbraw/zinc/15/27/47/136152747.db2.gz	HAUJTUYNDAMVQO-FQEVSTJZSA-N	0	3	371.550	3.543	10	10		FHCEHN
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccncc1	ZINC000033557946	220745537	/nfs/dbraw/zinc/74/55/37/220745537.db2.gz	FKFWOARIBLDNPG-MOSHPQCFSA-N	0	3	372.428	3.582	10	10		FHCEHN
CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1	ZINC000190430983	132303722	/nfs/dbraw/zinc/30/37/22/132303722.db2.gz	BWFZCWGVPHZTCV-SFTDATJTSA-N	0	3	368.525	3.903	10	10		FHCEHN