smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C[N@H+](Cc2cccc(F)c2O)C2CC2)c1	ZINC000055133738	563472107	/nfs/dbraw/zinc/47/21/07/563472107.db2.gz	VVXRVOWYTUZNER-UHFFFAOYSA-N	1	1	315.388	4.095	10	10		DICEMO
CCOc1cccc(C[N@@H+](Cc2cccc(F)c2O)C2CC2)c1	ZINC000055133738	563472110	/nfs/dbraw/zinc/47/21/10/563472110.db2.gz	VVXRVOWYTUZNER-UHFFFAOYSA-N	1	1	315.388	4.095	10	10		DICEMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1O	ZINC000185335577	337204267	/nfs/dbraw/zinc/20/42/67/337204267.db2.gz	MITFQKGTIMFOFR-VBKZILBWSA-N	1	1	322.383	4.367	10	10		DICEMO
C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1O	ZINC000062747477	184252260	/nfs/dbraw/zinc/25/22/60/184252260.db2.gz	KXCNEUPNDGGYHH-GRZMOONWSA-N	1	1	305.315	4.303	10	10		DICEMO
Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c(O)c1	ZINC000186048737	337253122	/nfs/dbraw/zinc/25/31/22/337253122.db2.gz	VNGNYCYELITIKW-HNNXBMFYSA-N	1	1	319.408	4.008	10	10		DICEMO
Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1	ZINC000186037313	333216739	/nfs/dbraw/zinc/21/67/39/333216739.db2.gz	SCHLDAYJGWJOAF-WBMJQRKESA-N	1	1	315.417	4.009	10	10		DICEMO
CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1O	ZINC000186412653	337255991	/nfs/dbraw/zinc/25/59/91/337255991.db2.gz	DMLLLLQCMWSWCW-GOSISDBHSA-N	1	1	319.408	4.090	10	10		DICEMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1O	ZINC000185335562	337204206	/nfs/dbraw/zinc/20/42/06/337204206.db2.gz	MITFQKGTIMFOFR-VLIAUNLRSA-N	1	1	322.383	4.367	10	10		DICEMO
Cc1ccc([C@@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1	ZINC000186037920	333216782	/nfs/dbraw/zinc/21/67/82/333216782.db2.gz	DFVNTCHWOKHONS-MLGOLLRUSA-N	1	1	315.417	4.009	10	10		DICEMO
C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(F)cc1O	ZINC000062747476	184252088	/nfs/dbraw/zinc/25/20/88/184252088.db2.gz	KXCNEUPNDGGYHH-BMQDGWLCSA-N	1	1	305.315	4.303	10	10		DICEMO
Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c(O)c1	ZINC000186048718	337253050	/nfs/dbraw/zinc/25/30/50/337253050.db2.gz	VNGNYCYELITIKW-OAHLLOKOSA-N	1	1	319.408	4.008	10	10		DICEMO
C[N@H+](Cc1cc(Cl)c2cccnc2c1O)C1CCCCC1	ZINC000019891839	182161474	/nfs/dbraw/zinc/16/14/74/182161474.db2.gz	RYDQAYRPQQDEEX-UHFFFAOYSA-N	1	1	304.821	4.358	10	10		DICEMO
C[N@@H+](Cc1cc(Cl)c2cccnc2c1O)C1CCCCC1	ZINC000019891839	182161476	/nfs/dbraw/zinc/16/14/76/182161476.db2.gz	RYDQAYRPQQDEEX-UHFFFAOYSA-N	1	1	304.821	4.358	10	10		DICEMO
Cc1ccc([C@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1	ZINC000186037939	333216770	/nfs/dbraw/zinc/21/67/70/333216770.db2.gz	DFVNTCHWOKHONS-BLLLJJGKSA-N	1	1	315.417	4.009	10	10		DICEMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1O	ZINC000185335596	337204237	/nfs/dbraw/zinc/20/42/37/337204237.db2.gz	MITFQKGTIMFOFR-JLTOFOAXSA-N	1	1	322.383	4.367	10	10		DICEMO
Cc1ccc([C@@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1	ZINC000186037962	333216776	/nfs/dbraw/zinc/21/67/76/333216776.db2.gz	DFVNTCHWOKHONS-WBMJQRKESA-N	1	1	315.417	4.009	10	10		DICEMO
C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1O	ZINC000248518150	337564276	/nfs/dbraw/zinc/56/42/76/337564276.db2.gz	PSRYECOBAOYFOI-BKTGTZMESA-N	1	1	315.388	4.102	10	10		DICEMO
Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1	ZINC000186037293	333216750	/nfs/dbraw/zinc/21/67/50/333216750.db2.gz	SCHLDAYJGWJOAF-BLLLJJGKSA-N	1	1	315.417	4.009	10	10		DICEMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1O	ZINC000185335546	337204200	/nfs/dbraw/zinc/20/42/00/337204200.db2.gz	MITFQKGTIMFOFR-XOBRGWDASA-N	1	1	322.383	4.367	10	10		DICEMO
Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1	ZINC000186048686	337253044	/nfs/dbraw/zinc/25/30/44/337253044.db2.gz	VNMXHPVCTZVQTI-HNNXBMFYSA-N	1	1	319.408	4.008	10	10		DICEMO
Cn1c(C2=CCC[N@@H+](Cc3ccccc3)C2)cc2ccccc21	ZINC000584618346	337373191	/nfs/dbraw/zinc/37/31/91/337373191.db2.gz	CKSYIZVZTWWHQS-UHFFFAOYSA-N	1	1	302.421	4.468	10	10		DICEMO
CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1O	ZINC000186412637	337256006	/nfs/dbraw/zinc/25/60/06/337256006.db2.gz	DMLLLLQCMWSWCW-SFHVURJKSA-N	1	1	319.408	4.090	10	10		DICEMO
CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc([N+](=O)[O-])c1	ZINC000185653922	522910767	/nfs/dbraw/zinc/91/07/67/522910767.db2.gz	AHMSKTRCJIFBBQ-MEDUHNTESA-N	1	1	318.348	4.241	10	10		DICEMO
Cc1nc([C@@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2O)cs1	ZINC000186864658	1043236629	/nfs/dbraw/zinc/23/66/29/1043236629.db2.gz	XZJADJWGGIJUFY-INIZCTEOSA-N	1	1	302.443	4.111	10	10		DICEMO
C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)cc1O	ZINC000248518153	1046841324	/nfs/dbraw/zinc/84/13/24/1046841324.db2.gz	PSRYECOBAOYFOI-MJXNMMHHSA-N	1	1	315.388	4.102	10	10		DICEMO
Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c1	ZINC000186037278	333216766	/nfs/dbraw/zinc/21/67/66/333216766.db2.gz	SCHLDAYJGWJOAF-MLGOLLRUSA-N	1	1	315.417	4.009	10	10		DICEMO
Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c1	ZINC000186037328	333216788	/nfs/dbraw/zinc/21/67/88/333216788.db2.gz	SCHLDAYJGWJOAF-LRDDRELGSA-N	1	1	315.417	4.009	10	10		DICEMO
Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1	ZINC000186048673	337253117	/nfs/dbraw/zinc/25/31/17/337253117.db2.gz	VNMXHPVCTZVQTI-OAHLLOKOSA-N	1	1	319.408	4.008	10	10		DICEMO
CCOc1cccc(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O	ZINC000006048454	181308022	/nfs/dbraw/zinc/30/80/22/181308022.db2.gz	OADAEVSWRUEUBR-KXBFYZLASA-N	1	1	303.446	4.192	10	10		DICEMO