smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc2nc3cc(NC(=O)c4ccc(C)cc4)ccc3c(N)c2c1	ZINC000039559661	205045500	/nfs/dbraw/zinc/04/55/00/205045500.db2.gz	MRYDZUWYFQMMIY-UHFFFAOYSA-N	0	3	371.440	4.930	1	10		FJCFHN
COc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1	ZINC000096910223	132226154	/nfs/dbraw/zinc/22/61/54/132226154.db2.gz	OCJKEFFQAUMPTO-UHFFFAOYSA-N	0	3	358.485	4.684	1	10		FJCFHN
COc1ccccc1CC[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1[O-]	ZINC000045368730	208332302	/nfs/dbraw/zinc/33/23/02/208332302.db2.gz	SYCUGHSMRFDEPF-UHFFFAOYSA-N	0	3	351.421	4.539	1	10		FJCFHN
N=C(N)Nc1ccc(OC(=O)c2ccc(N=Nc3ccccc3)cc2)cc1	ZINC000096900998	222136476	/nfs/dbraw/zinc/13/64/76/222136476.db2.gz	IXMHYHXZICGYQS-IZHYLOQSSA-N	0	3	359.389	4.627	1	10		FJCFHN
COc1cc(C)cc2c(-c3ccc([O-])c4c3C[C@@H](C)[NH2+][C@@H]4C)ccc(O)c12	ZINC000095485881	291084686	/nfs/dbraw/zinc/08/46/86/291084686.db2.gz	PETBTVKZGRITLO-ZIAGYGMSSA-N	0	3	363.457	4.830	1	10	biogenic,in-vitro	FJCFHN
CCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000042989613	208298393	/nfs/dbraw/zinc/29/83/93/208298393.db2.gz	LXMBBFMKKSPIBR-HXUWFJFHSA-N	0	3	373.452	4.613	1	10	in-vitro	FJCFHN