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+](CC)CCOc1ccc(C/N=N/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000252503003	520697991	/nfs/dbraw/zinc/69/79/91/520697991.db2.gz	UWZVUTQXUDZKKL-QZQOTICOSA-N	1	0	356.426	4.599	10	10		FJCERO
CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000111400479	717148016	/nfs/dbraw/zinc/14/80/16/717148016.db2.gz	MFYFEVIZGWMADM-QZQOTICOSA-N	1	0	356.450	4.543	10	10		FJCERO
COc1cccc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)c1O	ZINC000020998777	211302497	/nfs/dbraw/zinc/30/24/97/211302497.db2.gz	UEOOMPBUBGLHMP-QFIPXVFZSA-N	1	0	361.441	4.537	10	10		FJCERO
CN(C)c1ccc([C@@H]2CC(c3cccc(N)c3)=[NH+]N2c2ccccc2)cc1	ZINC000005328658	204203478	/nfs/dbraw/zinc/20/34/78/204203478.db2.gz	ZAYQDAPQNGFCRV-QHCPKHFHSA-N	1	0	356.473	4.691	10	10		FJCERO
C[C@H]([NH3+])c1ccc(N(C)Cc2cc(Br)cs2)c(Cl)c1	ZINC000061697277	221134739	/nfs/dbraw/zinc/13/47/39/221134739.db2.gz	YOCVSKCFBPAZPM-VIFPVBQESA-N	1	0	359.720	4.820	10	10		FJCERO
CCOCCC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O	ZINC000299783345	210027529	/nfs/dbraw/zinc/02/75/29/210027529.db2.gz	ZPIMKZUESZBNHN-UHFFFAOYSA-N	1	0	370.880	4.777	10	10		FJCERO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[NH+]1CCCC1	ZINC000004214841	210515730	/nfs/dbraw/zinc/51/57/30/210515730.db2.gz	YNWCUCSDUMVJKR-UHFFFAOYSA-N	1	0	353.853	4.933	10	10	in-man	FJCERO
[O-][N+]1(Cc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2O)CCCC1	ZINC000575417715	717184345	/nfs/dbraw/zinc/18/43/45/717184345.db2.gz	JUPFPFQWUIUECX-UHFFFAOYSA-O	1	0	370.860	4.837	10	10		FJCERO
COc1cccc(O)c1C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1	ZINC000014994500	211112991	/nfs/dbraw/zinc/11/29/91/211112991.db2.gz	PUWLIMDTXPYFGT-HSZRJFAPSA-N	1	0	361.441	4.537	10	10		FJCERO
C[C@@H]([NH3+])c1ccc(N(C)Cc2ccc(Cl)s2)c(Br)c1	ZINC000061696874	221134158	/nfs/dbraw/zinc/13/41/58/221134158.db2.gz	PHKFHRQVEROBKH-SECBINFHSA-N	1	0	359.720	4.820	10	10		FJCERO
CC(C)(C)[NH2+]Cc1ccc(Br)cc1Sc1nccs1	ZINC000104287591	222353852	/nfs/dbraw/zinc/35/38/52/222353852.db2.gz	IHXASPVUDHZUMD-UHFFFAOYSA-N	1	0	357.342	4.945	10	10		FJCERO
COc1cc(CCC(N)=O)ccc1Nc1c2ccccc2[nH+]c2ccccc21	ZINC000005141163	207083774	/nfs/dbraw/zinc/08/37/74/207083774.db2.gz	KAEUFODLJIKBQI-UHFFFAOYSA-N	1	0	371.440	4.558	10	10		FJCERO
COc1cccc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)c1O	ZINC000020998779	220347996	/nfs/dbraw/zinc/34/79/96/220347996.db2.gz	UEOOMPBUBGLHMP-JOCHJYFZSA-N	1	0	361.441	4.537	10	10		FJCERO
CC[NH+](CC)CCOc1ccc(C/N=N/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000242687836	209898865	/nfs/dbraw/zinc/89/88/65/209898865.db2.gz	UWZVUTQXUDZKKL-UHFFFAOYSA-N	1	0	356.426	4.599	10	10		FJCERO
CS(=O)(=O)Nc1cccc(Nc2c3ccccc3[nH+]c3ccccc32)c1	ZINC000005138694	207082616	/nfs/dbraw/zinc/08/26/16/207082616.db2.gz	FMTRURHFZFQCAU-UHFFFAOYSA-N	1	0	363.442	4.503	10	10		FJCERO
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005139607	717098488	/nfs/dbraw/zinc/09/84/88/717098488.db2.gz	MFYFEVIZGWMADM-UHFFFAOYSA-N	1	0	356.450	4.543	10	10		FJCERO
COc1cccc(-c2ccc(O)c(C[NH+]3CCC(c4ccccc4)CC3)c2)n1	ZINC000012246810	207351816	/nfs/dbraw/zinc/35/18/16/207351816.db2.gz	BILLBGUYPUIXEW-UHFFFAOYSA-N	1	0	374.484	4.842	10	10		FJCERO
COc1cc(C)c(-c2ccc(O)c3c2C[C@@H](C)[NH2+][C@@H]3C)c2cccc(O)c12	ZINC000004654685	560198922	/nfs/dbraw/zinc/19/89/22/560198922.db2.gz	NALOMJPIDNQZKW-ZIAGYGMSSA-N	1	0	363.457	4.830	10	10	biogenic,in-vitro	FJCERO
CN(C)c1ccc([C@H]2CC(c3cccc(N)c3)=[NH+]N2c2ccccc2)cc1	ZINC000005328724	219670545	/nfs/dbraw/zinc/67/05/45/219670545.db2.gz	ZAYQDAPQNGFCRV-HSZRJFAPSA-N	1	0	356.473	4.691	10	10		FJCERO