smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C[NH+]4CCN(Cc5ccccc5)CC4)c3)cc21	ZINC000013445038	561713111	/nfs/dbraw/zinc/71/31/11/561713111.db2.gz	UWBHJOVXAJRYJM-UHFFFAOYSA-N	0	2	518.530	1.791	1	5		KDBFLN
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O	ZINC000049898756	562692801	/nfs/dbraw/zinc/69/28/01/562692801.db2.gz	NOXUUYZKECRYOV-LFCIGHEZSA-N	0	2	700.753	1.563	1	5		KDBFLN
COc1cc2c(=O)oc3c(O[C@H]4O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]4OC(C)=O)c(O)cc4c(=O)oc(c1O)c2c43	ZINC000095098970	560062899	/nfs/dbraw/zinc/06/28/99/560062899.db2.gz	KNGJTKQJDRESAB-MYFGMOGUSA-N	0	2	546.437	1.258	1	5	biogenic,in-vitro	KDBFLN
COc1cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)c(O)cc4c(=O)oc(c1O)c2c43	ZINC000095913626	291716674	/nfs/dbraw/zinc/71/66/74/291716674.db2.gz	KNGJTKQJDRESAB-RINYNFSBSA-N	0	2	546.437	1.258	1	5	biogenic,in-vitro	KDBFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C[C@H](O)Cn4c(C)ncc4[N+](=O)[O-])CC3)cc21	ZINC000223036741	562880101	/nfs/dbraw/zinc/88/01/01/562880101.db2.gz	ZFTADACEXQUZCS-HNNXBMFYSA-N	0	2	502.503	1.455	1	5		KDBFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C[C@@H](O)Cn4c(C)ncc4[N+](=O)[O-])CC3)cc21	ZINC000223036803	562880091	/nfs/dbraw/zinc/88/00/91/562880091.db2.gz	ZFTADACEXQUZCS-OAHLLOKOSA-N	0	2	502.503	1.455	1	5		KDBFLN
Cc1ncc([N+](=O)[O-])n1C[C@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000223036902	562880074	/nfs/dbraw/zinc/88/00/74/562880074.db2.gz	CGDISPHEYBMYCR-MRXNPFEDSA-N	0	2	514.514	1.770	1	5		KDBFLN
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000223036969	562880103	/nfs/dbraw/zinc/88/01/03/562880103.db2.gz	CGDISPHEYBMYCR-INIZCTEOSA-N	0	2	514.514	1.770	1	5		KDBFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C[C@@H](O)Cn4c(C)nc(N5CCOCC5)c4[N+](=O)[O-])CC3)cc21	ZINC000473096996	562897919	/nfs/dbraw/zinc/89/79/19/562897919.db2.gz	CQEXLADBIZWNOL-GOSISDBHSA-N	0	2	587.609	1.292	1	5		KDBFLN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C[C@H](O)Cn4c(C)nc(N5CCOCC5)c4[N+](=O)[O-])CC3)cc21	ZINC000473097000	562897892	/nfs/dbraw/zinc/89/78/92/562897892.db2.gz	CQEXLADBIZWNOL-SFHVURJKSA-N	0	2	587.609	1.292	1	5		KDBFLN
Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1C[C@@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000473108884	562898458	/nfs/dbraw/zinc/89/84/58/562898458.db2.gz	POSRLDSGHVUXGD-IBGZPJMESA-N	0	2	599.620	1.607	1	5		KDBFLN
Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1C[C@H](O)C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000473108885	562898464	/nfs/dbraw/zinc/89/84/64/562898464.db2.gz	POSRLDSGHVUXGD-LJQANCHMSA-N	0	2	599.620	1.607	1	5		KDBFLN