smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc3c(cc1-2)OCO3	ZINC000027188526	202152567	/nfs/dbraw/zinc/15/25/67/202152567.db2.gz	JSZUCFRIEXZSNW-UHFFFAOYSA-N	1	0	348.358	2.290	1	10		EECFRO
COc1cc(C[C@@H](C[NH3+])c2ccc(O)c(O)c2)cc(OC)c1OC	ZINC000169322175	206550523	/nfs/dbraw/zinc/55/05/23/206550523.db2.gz	OCIOUBSKGWVMCK-ZDUSSCGKSA-N	1	0	333.384	2.409	1	10		EECFRO
O=C1c2cccc(Cl)c2C(=O)c2c(NCC[NH2+]CCO)cccc21	ZINC000029407243	202186512	/nfs/dbraw/zinc/18/65/12/202186512.db2.gz	NURAFFQJKUHJIY-UHFFFAOYSA-N	1	0	344.798	2.109	1	10		EECFRO
C[C@@H]1CN(c2ccccn2)CC[N@@H+]1CCC(=O)Nc1ccc(N)cc1	ZINC000029548426	525069687	/nfs/dbraw/zinc/06/96/87/525069687.db2.gz	UKXAKQZMPLLQIM-OAHLLOKOSA-N	1	0	339.443	2.203	1	10		EECFRO
COc1ccc2c(c1O)C[N+]1(C)CC[C@H]3C[C@@H](O)[C@H](OC)C[C@@H]3[C@H]1C2	ZINC000070454858	290971963	/nfs/dbraw/zinc/97/19/63/290971963.db2.gz	OKCPDYCEEXNUHV-PBRNXYISSA-O	1	0	348.463	2.078	1	10	biogenic,in-vitro	EECFRO
CC(C)[NH2+]C[C@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000084690894	217633098	/nfs/dbraw/zinc/63/30/98/217633098.db2.gz	KHSBIPJAPMSHFW-ZDUSSCGKSA-N	1	0	338.407	2.233	1	10		EECFRO
CCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OCCO)C[N@H+](C)[C@@H]1C2	ZINC000029482976	202187574	/nfs/dbraw/zinc/18/75/74/202187574.db2.gz	LKSTYTVVPYKJOD-QGPMSJSTSA-N	1	0	342.439	2.157	1	10		EECFRO
O=C1Cc2cc3c(cc2-c2cc4ccc5c(c4c[n+]21)OCO5)OCO3	ZINC000095914097	290973374	/nfs/dbraw/zinc/97/33/74/290973374.db2.gz	JNPLWCXADMYAJM-UHFFFAOYSA-N	1	0	334.307	2.448	1	10	biogenic,in-vitro	EECFRO
Cn1cc2c3c1C(=O)c1[nH]cc(-c4ccc(O)cc4)c1C3[N+](=O)CC2	ZINC000096941698	218904333	/nfs/dbraw/zinc/90/43/33/218904333.db2.gz	XWBZGMXEEBRBEB-UHFFFAOYSA-N	1	0	333.347	2.174	1	10		EECFRO
C[C@H]1CN(c2ccccn2)CC[N@@H+]1CCC(=O)Nc1ccc(N)cc1	ZINC000029548431	524673530	/nfs/dbraw/zinc/67/35/30/524673530.db2.gz	UKXAKQZMPLLQIM-HNNXBMFYSA-N	1	0	339.443	2.203	1	10		EECFRO
COc1cc2c(cc1O)CC[N+]1(C)c3cc4c(cc3[C@H](O)[C@@H]21)OCO4	ZINC000238784115	717163518	/nfs/dbraw/zinc/16/35/18/717163518.db2.gz	CVCLYISJHIEWIH-LFPSWIHMSA-O	1	0	342.371	2.411	1	10		EECFRO
CCn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OCCO)C[N@H+](C)[C@H]1C2	ZINC000029482973	202187811	/nfs/dbraw/zinc/18/78/11/202187811.db2.gz	LKSTYTVVPYKJOD-HFTRVMKXSA-N	1	0	342.439	2.157	1	10		EECFRO
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCC[NH2+]CCO	ZINC000028711296	202175343	/nfs/dbraw/zinc/17/53/43/202175343.db2.gz	BYCJOFWNTUNYGZ-UHFFFAOYSA-N	1	0	348.402	2.185	1	10		EECFRO
CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)C[N@H+](C)[C@@H]1C2	ZINC000040374511	213293661	/nfs/dbraw/zinc/29/36/61/213293661.db2.gz	LKSTYTVVPYKJOD-QILLFSRXSA-N	1	0	342.439	2.157	1	10		EECFRO
COc1cc2c(cc1O)[C@@H]1[C@@H](O)c3cc4c(cc3[N+]1(C)CC2)OCO4	ZINC000014947722	717111139	/nfs/dbraw/zinc/11/11/39/717111139.db2.gz	DNOKYJRHGJVFFF-LFPSWIHMSA-O	1	0	342.371	2.411	1	10		EECFRO
O=C(Nc1csc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCC[NH2+]1	ZINC000072105271	216009047	/nfs/dbraw/zinc/00/90/47/216009047.db2.gz	WVOHLLYJZAIAIC-NSHDSACASA-N	1	0	326.377	2.214	1	10		EECFRO