smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CC[C@@]2(C(=O)[N-]C(=O)NC2=O)N1c1ccc(Oc2ccc3c(c2)OCO3)cc1	ZINC000028128415	581099499	/nfs/dbraw/zinc/09/94/99/581099499.db2.gz	DMWFWKLZKONSAG-UHFFFAOYSA-N	-1	1	409.354	2.280	1	0		HEAFMM
Nc1c2ccccc2[nH]c(=O)c1-c1nc2ccc(OCCN3CCOCC3)cc2[nH]1	ZINC000040424395	581100660	/nfs/dbraw/zinc/10/06/60/581100660.db2.gz	MVKVCQNFFRDQDJ-UHFFFAOYSA-N	-1	1	405.458	2.365	1	0		HEAFMM
CN1CCN(C(=O)c2ccc3[n-]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1	ZINC000040975504	581099996	/nfs/dbraw/zinc/09/99/96/581099996.db2.gz	XALOFLMEUAMOLD-UHFFFAOYSA-N	-1	1	402.458	2.041	1	0		HEAFMM
O=c1c2c(cc3oc(CO)cc([O-])c1-3)O[C@@](CO)(C/C=C/c1ccccc1)[C@H](O)C2	ZINC000085593570	291213669	/nfs/dbraw/zinc/21/36/69/291213669.db2.gz	SRIBZZUJAFWVFS-NCTPOAFISA-N	-1	1	410.422	2.121	1	0	biogenic,in-vitro	HEAFMM
O=c1cc(CO)oc2cc3c(c([O-])c12)C[C@@H](O)[C@](CO)(C/C=C/c1ccccc1)O3	ZINC000085593570	291213671	/nfs/dbraw/zinc/21/36/71/291213671.db2.gz	SRIBZZUJAFWVFS-NCTPOAFISA-N	-1	1	410.422	2.121	1	0	biogenic,in-vitro	HEAFMM
CC1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c([O-])c2C[C@H]1O	ZINC000085593585	291203540	/nfs/dbraw/zinc/20/35/40/291203540.db2.gz	PGUDJUZHDACRHE-IEBWSBKVSA-N	-1	1	400.383	2.066	1	0	biogenic,in-vitro	HEAFMM
CC1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc([O-])c-3c(=O)c2C[C@H]1O	ZINC000085593585	291203545	/nfs/dbraw/zinc/20/35/45/291203545.db2.gz	PGUDJUZHDACRHE-IEBWSBKVSA-N	-1	1	400.383	2.066	1	0	biogenic,in-vitro	HEAFMM