smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCn1c(=O)c2cccc(N)c2c2cnc3cc4c(cc3c21)OCO4	ZINC000026378203	207313513	/nfs/dbraw/zinc/31/35/13/207313513.db2.gz	WDBSHIDFNOSGIC-UHFFFAOYSA-N	0	3	376.416	2.575	1	5		GFBFHN
CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc2c(cc13)OCO2	ZINC000100754617	208381938	/nfs/dbraw/zinc/38/19/38/208381938.db2.gz	CRCLOJOSLBBYCI-UHFFFAOYSA-N	0	3	378.432	2.921	1	5		GFBFHN
CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc13	ZINC000101321740	211398974	/nfs/dbraw/zinc/39/89/74/211398974.db2.gz	QINHEPKQDJYFDS-UHFFFAOYSA-N	0	3	386.253	2.570	1	5		GFBFHN
CCCC[NH2+]C[C@@H](O)COc1cc(=O)c2c([O-])c3cccc(OC)c3oc-2c1	ZINC000096933349	205578582	/nfs/dbraw/zinc/57/85/82/205578582.db2.gz	QDKGTPFIIVPOTC-CYBMUJFWSA-N	0	3	387.432	2.790	1	5		GFBFHN
CCCC[NH2+]C[C@@H](O)COc1cc([O-])c2c(c1)oc1c(OC)cccc1c2=O	ZINC000096933349	205578587	/nfs/dbraw/zinc/57/85/87/205578587.db2.gz	QDKGTPFIIVPOTC-CYBMUJFWSA-N	0	3	387.432	2.790	1	5		GFBFHN
O=C(CCN1CCN2Cc3ccccc3C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000026749760	207319964	/nfs/dbraw/zinc/31/99/64/207319964.db2.gz	VGFDXVSFHAMSIA-GOSISDBHSA-N	0	3	380.448	2.666	1	5		GFBFHN
COc1cc2c(cc1OC)n1cnc3ccc(NCCCN(C)C)c(c31)c2=O	ZINC000100754533	208380129	/nfs/dbraw/zinc/38/01/29/208380129.db2.gz	JRZDIVRTFGQZFE-UHFFFAOYSA-N	0	3	380.448	2.820	1	5		GFBFHN
COc1ccc2c(CN3CCN(CCO)CC3)cc3cc4c(cc3c2c1)OCO4	ZINC000028706248	207346644	/nfs/dbraw/zinc/34/66/44/207346644.db2.gz	FVXNJLNFLONMKW-UHFFFAOYSA-N	0	3	394.471	2.840	1	5		GFBFHN
CCN(CC)CCNc1ccc2nnn3c2c1c(=O)c1cc(OC(C)=O)ccc13	ZINC000005582501	209603010	/nfs/dbraw/zinc/60/30/10/209603010.db2.gz	UBYGDKSAOVCBIG-UHFFFAOYSA-N	0	3	393.447	2.513	1	5		GFBFHN
CCCC[NH2+]C[C@H](O)COc1cc(=O)c2c([O-])c3cccc(OC)c3oc-2c1	ZINC000096933348	211352736	/nfs/dbraw/zinc/35/27/36/211352736.db2.gz	QDKGTPFIIVPOTC-ZDUSSCGKSA-N	0	3	387.432	2.790	1	5		GFBFHN
CCCC[NH2+]C[C@H](O)COc1cc([O-])c2c(c1)oc1c(OC)cccc1c2=O	ZINC000096933348	211352741	/nfs/dbraw/zinc/35/27/41/211352741.db2.gz	QDKGTPFIIVPOTC-ZDUSSCGKSA-N	0	3	387.432	2.790	1	5		GFBFHN