smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]12C[C@H](CC(C)(C)C1)N(/C=[NH+]/c1sc3c(c1C#N)CC(C)(C)[NH2+]C3(C)C)C2	ZINC000002207499	209350159	/nfs/dbraw/zinc/35/01/59/209350159.db2.gz	KOPQVOOZGXDPKL-HTTAKTITSA-N	2	1	398.620	5.340	40	30		GKEBMP
CCCCCCCC/C=C\CCCCCCCC[NH2+]CCC[NH2+]CCC[NH3+]	ZINC000082030978	519971997	/nfs/dbraw/zinc/97/19/97/519971997.db2.gz	ZXUXEWRICDHNKF-KTKRTIGZSA-N	3	1	381.693	5.942	40	30		GKEBMP
C[NH+]1CCN(CCCCn2c3ccccc3[s+]c3ccc(=NN=N)cc2-3)CC1	ZINC000016958787	221374592	/nfs/dbraw/zinc/37/45/92/221374592.db2.gz	OZENPWLWODGIFL-UHFFFAOYSA-N	2	1	394.548	5.259	40	30		GKEBMP
C/C(CC(=O)c1ccccc1)=N\CCCCC/[NH+]=C(\C)CC(=O)c1ccccc1	ZINC000104207926	570299552	/nfs/dbraw/zinc/29/95/52/570299552.db2.gz	FNNLPTYQRNVYRT-CRYYDKFDSA-N	2	1	390.527	5.625	40	30		GKEBMP
CCCCCCCC/C=C/CCCCCCCC[NH2+]CCC[NH2+]CCC[NH3+]	ZINC000082030979	519969098	/nfs/dbraw/zinc/96/90/98/519969098.db2.gz	ZXUXEWRICDHNKF-MDZDMXLPSA-N	3	1	381.693	5.942	40	30		GKEBMP
CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000104268352	570300122	/nfs/dbraw/zinc/30/01/22/570300122.db2.gz	QTPSKWKTARMYJI-QHCPKHFHSA-N	2	1	398.676	6.247	40	30		GKEBMP
CCCCCCCCCCCCCCCCCCOC(=O)[C@H]([NH3+])CCCC[NH3+]	ZINC000104268349	570300284	/nfs/dbraw/zinc/30/02/84/570300284.db2.gz	QTPSKWKTARMYJI-HSZRJFAPSA-N	2	1	398.676	6.247	40	30		GKEBMP
C[C@@]12C[C@@H](CC(C)(C)C1)N(/C=[NH+]/c1sc3c(c1C#N)CC(C)(C)[NH2+]C3(C)C)C2	ZINC000005069877	570219884	/nfs/dbraw/zinc/21/98/84/570219884.db2.gz	KOPQVOOZGXDPKL-NWOQJERHSA-N	2	1	398.620	5.340	40	30		GKEBMP