smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CC[NH+]([C@@H](c2ccccc2)c2ccc3ccccc3c2[O-])CC1	ZINC000001639780	563398497	/nfs/dbraw/zinc/39/84/97/563398497.db2.gz	JAXNHDMBTCJTSO-QFIPXVFZSA-N	0	1	331.459	5.367	40	10		EKCBMN
CC1CC[NH+]([C@H](c2ccccc2)c2ccc3ccccc3c2[O-])CC1	ZINC000001639781	563398589	/nfs/dbraw/zinc/39/85/89/563398589.db2.gz	JAXNHDMBTCJTSO-JOCHJYFZSA-N	0	1	331.459	5.367	40	10		EKCBMN
CC/C(=C(/CC)c1ccc([O-])c(C[NH+](C)C)c1)c1ccc(OC)cc1	ZINC000001641577	209772271	/nfs/dbraw/zinc/77/22/71/209772271.db2.gz	BRCPGBUOFZCYTQ-QZQOTICOSA-N	0	1	339.479	5.193	40	10		EKCBMN
COc1ccc2nc3cc(Cl)ccc3c(Nc3cccnc3)c2c1	ZINC000004366490	210180749	/nfs/dbraw/zinc/18/07/49/210180749.db2.gz	LUUDYHCKONVRQY-UHFFFAOYSA-N	0	1	335.794	5.189	40	10	in-vivo	EKCBMN
CCN(CC)c1ccc(C=C(C)c2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000004824577	210288859	/nfs/dbraw/zinc/28/88/59/210288859.db2.gz	XJIJZZBPKWKBDO-OWBHPGMISA-N	0	1	339.870	5.623	40	10		EKCBMN
[O-]c1ccc2ccccc2c1C[NH+](C1CCCCC1)C1CCCCC1	ZINC000005604950	564014234	/nfs/dbraw/zinc/01/42/34/564014234.db2.gz	NEYIVORLBZRYSY-UHFFFAOYSA-N	0	1	337.507	6.013	40	10		EKCBMN
CCN(CC)c1ccc(C=C(C)c2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000017014656	563828340	/nfs/dbraw/zinc/82/83/40/563828340.db2.gz	XJIJZZBPKWKBDO-WYMLVPIESA-N	0	1	339.870	5.623	40	10		EKCBMN
COc1ccc2nc(NN=C3C=CC(=O)c4ccccc43)sc2c1	ZINC000100581785	219101984	/nfs/dbraw/zinc/10/19/84/219101984.db2.gz	AHQVSLCYCQPFFF-QZQOTICOSA-N	0	1	335.388	5.579	40	10		EKCBMN