smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](c3coc(-c4ccc(Cl)s4)n3)[C@H]2C1=O	ZINC000082874039	717135918	/nfs/dbraw/zinc/13/59/18/717135918.db2.gz	JCNHSXPHCSYYCR-QZHFEQFPSA-N	2	0	464.011	3.273	1	5	in-vitro	JGBFRP
COc1ccc2nc3c4c(ccc3C(=O)NCC[NH+](C)C)n(CC[NH+]3CCCCC3)[nH]c4c2c1	ZINC000026987680	563038743	/nfs/dbraw/zinc/03/87/43/563038743.db2.gz	ONQGUPRWUAJCTD-UHFFFAOYSA-N	2	0	462.598	3.457	1	5		JGBFRP
COc1ccc2nc3c([N+](=O)[O-])ccc(NCCC[NH+](C)C)c3c(NCCC[NH+](C)C)c2c1	ZINC000031852784	563108654	/nfs/dbraw/zinc/10/86/54/563108654.db2.gz	YRKVZONKXGMJCC-UHFFFAOYSA-N	2	0	454.575	3.454	1	5		JGBFRP
CC[NH+](CC)CC(=O)NCc1cccc2cc3cccc(CNC(=O)C[NH+](CC)CC)c3nc21	ZINC000045286133	563183947	/nfs/dbraw/zinc/18/39/47/563183947.db2.gz	WAYAWBMAXNNVIX-UHFFFAOYSA-N	2	0	463.626	3.304	1	5		JGBFRP
C[NH+](C)CCNc1cc(NCCSCc2ccc(C[NH+](C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000013726492	562984973	/nfs/dbraw/zinc/98/49/73/562984973.db2.gz	LFSPBUWIBYIALD-UHFFFAOYSA-N	2	0	466.564	3.476	1	5		JGBFRP
C[NH+](C)CCNC(=O)c1cccc2c1nc1c3ccccc3sc1c2C(=O)NCC[NH+](C)C	ZINC000026178200	563023633	/nfs/dbraw/zinc/02/36/33/563023633.db2.gz	HKRAPPCAVXBLDA-UHFFFAOYSA-N	2	0	463.607	3.186	1	5		JGBFRP
C[N+]1(C2CCN(C(=O)c3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)CC2)CCCC1	ZINC000096284364	717141433	/nfs/dbraw/zinc/14/14/33/717141433.db2.gz	KORFLEZCHHHWRG-UHFFFAOYSA-N	2	0	453.651	3.232	1	5		JGBFRP
C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl	ZINC000066099202	717133097	/nfs/dbraw/zinc/13/30/97/717133097.db2.gz	AJMNQFJBFWKBJZ-UHFFFAOYSA-P	2	0	481.468	3.079	1	5		JGBFRP
CC[NH+](CC)CCNc1ccc2nnn3c2c1c(=O)c1cc(OCC[NH+](CC)CC)ccc13	ZINC000005582502	562934334	/nfs/dbraw/zinc/93/43/34/562934334.db2.gz	ZKIVPMPNONZNIG-UHFFFAOYSA-N	2	0	450.587	3.308	1	5		JGBFRP
C[NH+](C)CCCn1c2ccc([N+](=O)[O-])c3nc4ccc(O)cc4c(c23)n(CCC[NH+](C)C)c1=O	ZINC000005847471	562935584	/nfs/dbraw/zinc/93/55/84/562935584.db2.gz	FJKOGZKQZGBRLU-UHFFFAOYSA-N	2	0	466.542	3.022	1	5		JGBFRP
C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](c3ncc(-c4ccc(Cl)s4)o3)[C@H]2C1=O	ZINC000095920597	717140585	/nfs/dbraw/zinc/14/05/85/717140585.db2.gz	AYOZEWNCAPQIAE-ZQEOTTOMSA-N	2	0	464.011	3.273	1	5	in-vitro	JGBFRP
CC[NH+](CC)CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3sc1c(O)ccc(O)c21	ZINC000029320322	563100159	/nfs/dbraw/zinc/10/01/59/563100159.db2.gz	KGNJBLGDUNOXRD-UHFFFAOYSA-N	2	0	457.600	3.151	1	5		JGBFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCCNC(=O)c1c2ccccc2nc2ccccc21	ZINC000038152160	563132460	/nfs/dbraw/zinc/13/24/60/563132460.db2.gz	OBLFRFSIICPMKX-UHFFFAOYSA-N	4	0	478.685	3.186	1	5		JGBFRP