smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(C(F)(F)F)cc1CNCc1ccc(O)cc1O	ZINC000256053602	402699998	/nfs/dbraw/zinc/69/99/98/402699998.db2.gz	SBPVYLBPDKIYFO-UHFFFAOYSA-N	0	3	301.268	2.140	40	10		DECBHN
O=C1c2ccccc2C(=O)N1[N-][N+](=O)N1Cc2ccccc2C1	ZINC000104229959	534974614	/nfs/dbraw/zinc/97/46/14/534974614.db2.gz	XXZSXELWSWBBKH-UHFFFAOYSA-N	0	3	308.297	2.091	40	10		DECBHN
COc1cc2c(cc1OC)[C@H](c1ccc(O)c(O)c1)CNC2	ZINC000024717641	182389063	/nfs/dbraw/zinc/38/90/63/182389063.db2.gz	RQKOOXXZCUXSQS-ZDUSSCGKSA-N	0	3	301.342	2.350	40	10		DECBHN
COc1cccc([C@@H]2NCCc3cc(O)c(O)cc32)c1OC	ZINC000003703466	181044764	/nfs/dbraw/zinc/04/47/64/181044764.db2.gz	GWNMBOJDROASRW-INIZCTEOSA-N	0	3	301.342	2.350	40	10		DECBHN
COc1ccc([C@H]2C[NH2+]Cc3c([O-])c(OC)ccc32)cc1O	ZINC000003847194	181048850	/nfs/dbraw/zinc/04/88/50/181048850.db2.gz	FNIFXZANNCKMSL-GFCCVEGCSA-N	0	3	301.342	2.350	40	10		DECBHN
COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(O)c1)NCC2	ZINC000000895655	560178875	/nfs/dbraw/zinc/17/88/75/560178875.db2.gz	RHMGJTZOFARRHB-CYBMUJFWSA-N	0	3	301.342	2.242	40	10	in-vitro	DECBHN
COc1ccc([C@@H]2C[NH2+]Cc3c([O-])c(OC)ccc32)cc1O	ZINC000003847193	181049394	/nfs/dbraw/zinc/04/93/94/181049394.db2.gz	FNIFXZANNCKMSL-LBPRGKRZSA-N	0	3	301.342	2.350	40	10		DECBHN
COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(O)c1)CNC2	ZINC000024717645	182388857	/nfs/dbraw/zinc/38/88/57/182388857.db2.gz	RQKOOXXZCUXSQS-CYBMUJFWSA-N	0	3	301.342	2.350	40	10		DECBHN
CCN(CC)C(=O)C1CC[NH+](Cc2cccc(OC)c2[O-])CC1	ZINC000000785863	401702843	/nfs/dbraw/zinc/70/28/43/401702843.db2.gz	UGRQZMNNXWLZJJ-UHFFFAOYSA-N	0	3	320.433	2.481	40	10		DECBHN
CN(C)CCN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375061	181235954	/nfs/dbraw/zinc/23/59/54/181235954.db2.gz	LRCIPAKTSASONU-LCYFTJDESA-N	0	3	320.439	2.262	40	10		DECBHN
COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(O)c1)NCC2	ZINC000000895656	401703351	/nfs/dbraw/zinc/70/33/51/401703351.db2.gz	RHMGJTZOFARRHB-ZDUSSCGKSA-N	0	3	301.342	2.242	40	10	in-vitro	DECBHN