smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1	ZINC000236876355	853931307	/nfs/dbraw/zinc/93/13/07/853931307.db2.gz	RVGZYXVYAWINGV-UHFFFAOYSA-N	2	1	403.655	4.495	20	10		HICDMP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000237178008	853976881	/nfs/dbraw/zinc/97/68/81/853976881.db2.gz	ITCHSJIUKLMMSV-BTYIYWSLSA-N	2	1	422.447	4.312	20	10		HICDMP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000237178008	853976886	/nfs/dbraw/zinc/97/68/86/853976886.db2.gz	ITCHSJIUKLMMSV-BTYIYWSLSA-N	2	1	422.447	4.312	20	10		HICDMP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C[NH+](C)C)c2)C1	ZINC000435547813	860862702	/nfs/dbraw/zinc/86/27/02/860862702.db2.gz	KDARJWDOAWOXSU-UHFFFAOYSA-N	2	1	404.558	4.108	20	10		HICDMP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2CC[NH+](C)C)C1	ZINC000436015410	861305797	/nfs/dbraw/zinc/30/57/97/861305797.db2.gz	HTEVKCCCLBWWSO-UHFFFAOYSA-N	2	1	418.585	4.151	20	10		HICDMP
C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000237184857	853977482	/nfs/dbraw/zinc/97/74/82/853977482.db2.gz	ITCHSJIUKLMMSV-VFNWGFHPSA-N	2	1	422.447	4.312	20	10		HICDMP
C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000237184857	853977487	/nfs/dbraw/zinc/97/74/87/853977487.db2.gz	ITCHSJIUKLMMSV-VFNWGFHPSA-N	2	1	422.447	4.312	20	10		HICDMP
C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000237180375	853976202	/nfs/dbraw/zinc/97/62/02/853976202.db2.gz	PGIAWJJSWDQNFM-UHFFFAOYSA-N	2	1	423.532	4.177	20	10		HICDMP
CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccn4c[nH+]cc4c3)no2)C1	ZINC000564277420	945489756	/nfs/dbraw/zinc/48/97/56/945489756.db2.gz	QNBRFRGVZYVYCS-UHFFFAOYSA-N	2	1	412.497	4.154	20	10		HICDMP
Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c(C[NH+](C)C)c1	ZINC000435854743	861114366	/nfs/dbraw/zinc/11/43/66/861114366.db2.gz	HQOFQFNWOWVJPQ-UHFFFAOYSA-N	2	1	418.585	4.417	20	10		HICDMP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C[NH+](C)C)cc2)C1	ZINC000443913182	868448575	/nfs/dbraw/zinc/44/85/75/868448575.db2.gz	LGEGDCUFIFESFY-UHFFFAOYSA-N	2	1	404.558	4.108	20	10		HICDMP
Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2	ZINC000444245634	868693731	/nfs/dbraw/zinc/69/37/31/868693731.db2.gz	KGZZAFGLRSSHIT-UHFFFAOYSA-N	2	1	418.585	4.417	20	10		HICDMP
C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1	ZINC000237180415	853976790	/nfs/dbraw/zinc/97/67/90/853976790.db2.gz	XURASSWAXAECSB-UHFFFAOYSA-N	2	1	405.542	4.038	20	10		HICDMP
CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000443986117	868510784	/nfs/dbraw/zinc/51/07/84/868510784.db2.gz	ZIICSZAOHQKNCT-HXUWFJFHSA-N	2	1	412.622	4.035	20	10		HICDMP
CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000443986104	868510976	/nfs/dbraw/zinc/51/09/76/868510976.db2.gz	ZIICSZAOHQKNCT-FQEVSTJZSA-N	2	1	412.622	4.035	20	10		HICDMP
Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1	ZINC000444329630	868756192	/nfs/dbraw/zinc/75/61/92/868756192.db2.gz	PPKKDPLZRCQBHM-UHFFFAOYSA-N	2	1	418.585	4.417	20	10		HICDMP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(CC[NH+](C)C)cc2)C1	ZINC000435733487	861015102	/nfs/dbraw/zinc/01/51/02/861015102.db2.gz	BYLAMWFVIYHMEB-UHFFFAOYSA-N	2	1	418.585	4.151	20	10		HICDMP