smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC=C1C[N+]2(C)CC[C@]34c5ccccc5N=C3C(=C[NH2+]Nc3ccccc3)[C@H]1C[C@@H]42	ZINC000049586670	570330620	/nfs/dbraw/zinc/33/06/20/570330620.db2.gz	KZDYDLFVHMLGCE-OAMLAODCSA-N	2	0	397.546	4.901	40	30		GJEBRP
CCCCCCCCCCCCOc1ccc(NC(N)=[NH2+])cc1NC(N)=[NH2+]	ZINC000008214597	570524440	/nfs/dbraw/zinc/52/44/40/570524440.db2.gz	QMMMGQKKOKYDMN-UHFFFAOYSA-N	2	0	376.549	4.597	40	30	in-man	GJEBRP
CCCCCCCC[NH+](CCO)CCC[N@@H+](CCO)CCCCCCCC	ZINC000100923875	211394803	/nfs/dbraw/zinc/39/48/03/211394803.db2.gz	VJWNKZBMXNLXCY-UHFFFAOYSA-N	2	0	386.665	4.686	40	30		GJEBRP
O=[N+]([O-])c1ccc(/C=[NH+]\CCCCCC/[NH+]=C\c2ccc([N+](=O)[O-])cc2)cc1	ZINC000104063649	527346233	/nfs/dbraw/zinc/34/62/33/527346233.db2.gz	IDCYZFYGYYOLTF-BMJUYKDLSA-N	2	0	382.420	4.601	40	30		GJEBRP
O=[N+]([O-])c1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017376601	527344252	/nfs/dbraw/zinc/34/42/52/527344252.db2.gz	IDCYZFYGYYOLTF-KBNZVFGVSA-N	2	0	382.420	4.601	40	30		GJEBRP
O=[N+]([O-])c1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000104063654	527344793	/nfs/dbraw/zinc/34/47/93/527344793.db2.gz	IDCYZFYGYYOLTF-YHARCJFQSA-N	2	0	382.420	4.601	40	30		GJEBRP
CCCCCCCCC[C@@H](C)CC(=O)NCCC[N@H+](C)CCCC[NH+](C)C	ZINC000085972617	520029372	/nfs/dbraw/zinc/02/93/72/520029372.db2.gz	RLDPSVAZXJQOAE-JOCHJYFZSA-N	2	0	383.665	4.933	40	30		GJEBRP
CCCCCCCCC[C@H](C)CC(=O)NCCC[N@H+](C)CCCC[NH+](C)C	ZINC000085972618	520031247	/nfs/dbraw/zinc/03/12/47/520031247.db2.gz	RLDPSVAZXJQOAE-QFIPXVFZSA-N	2	0	383.665	4.933	40	30		GJEBRP
CC=C1C[N+]2(C)CC[C@]34c5ccccc5N=C3C(=C[NH2+]Nc3ccccc3)[C@H]1C[C@@H]42	ZINC000003999440	570612956	/nfs/dbraw/zinc/61/29/56/570612956.db2.gz	KZDYDLFVHMLGCE-VESLAJPGSA-N	2	0	397.546	4.901	40	30		GJEBRP
CCCCOc1cc(C[S+]2CCCC2)c(OC)cc1C[S+]1CCCC1	ZINC000005784086	520849227	/nfs/dbraw/zinc/84/92/27/520849227.db2.gz	UHSCGAXMVUJRJK-UHFFFAOYSA-N	2	0	382.635	4.698	40	30		GJEBRP