smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](Cc2ccccc2O)CC1	ZINC000257274352	443126384	/nfs/dbraw/zinc/12/63/84/443126384.db2.gz	NKQKWHCOTZKRDG-GOSISDBHSA-N	2	2	341.415	1.706	40	10		EDCBLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](Cc2ccccc2O)CC1	ZINC000257274352	443126388	/nfs/dbraw/zinc/12/63/88/443126388.db2.gz	NKQKWHCOTZKRDG-GOSISDBHSA-N	2	2	341.415	1.706	40	10		EDCBLP
CCOc1cc(C[NH+]2CCOCC2)c(O)c(C[NH+]2CCOCC2)c1	ZINC000031623694	441532729	/nfs/dbraw/zinc/53/27/29/441532729.db2.gz	XEGWKGWECYMDHQ-UHFFFAOYSA-N	2	2	336.432	1.455	40	10		EDCBLP
c1[nH]cc(CC[NH2+]C2CCN(c3ccc4c(c3)OCCO4)CC2)[nH+]1	ZINC000012143558	441128688	/nfs/dbraw/zinc/12/86/88/441128688.db2.gz	JDPNRAIHKQZWKP-UHFFFAOYSA-N	2	2	328.416	1.982	40	10		EDCBLP
c1[nH]c(CC[NH2+]C2CCN(c3ccc4c(c3)OCCO4)CC2)c[nH+]1	ZINC000012143558	441128692	/nfs/dbraw/zinc/12/86/92/441128692.db2.gz	JDPNRAIHKQZWKP-UHFFFAOYSA-N	2	2	328.416	1.982	40	10		EDCBLP