smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)CCCC[NH2+]C[C@@H]([NH3+])CS)C(=O)[O-]	ZINC000026666580	202146373	/nfs/dbraw/zinc/14/63/73/202146373.db2.gz	CUDOQRFLUVNTOK-MNOVXSKESA-N	1	1	337.511	0.326	1	30		ECEFMO
CC(=O)NCc1cccc(-c2csc(NC(=[NH2+])NCCO)n2)c1	ZINC000026990425	202151531	/nfs/dbraw/zinc/15/15/31/202151531.db2.gz	OJQGPCXLDVRTFU-UHFFFAOYSA-N	1	1	333.417	0.974	1	30		ECEFMO
CCCCCCCOCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO	ZINC000066066007	215005696	/nfs/dbraw/zinc/00/56/96/215005696.db2.gz	QKGFRVNZERLSSG-WNRNVDISSA-N	1	1	347.496	0.903	1	30		ECEFMO
[NH3+]CCCC[C@H]([NH3+])C(=O)ON[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000040743183	213380295	/nfs/dbraw/zinc/38/02/95/213380295.db2.gz	LSXFBSFZMZWBKD-ZFWWWQNUSA-N	1	1	348.403	0.668	1	30		ECEFMO
O=C(NO)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000072119780	216013502	/nfs/dbraw/zinc/01/35/02/216013502.db2.gz	RMGVMMUDGVEETO-IRXDYDNUSA-N	1	1	339.395	0.934	1	30		ECEFMO
Cc1[nH+]ccn1-c1cc(C)c(C(=O)N=C(N)N)cc1S(C)(=O)=O	ZINC000013763136	211635329	/nfs/dbraw/zinc/63/53/29/211635329.db2.gz	BFCBIXDAONCBHY-UHFFFAOYSA-N	1	1	335.389	0.306	1	30		ECEFMO
COCC[NH+]1CCN(CCCN=C(NC#N)c2ccccn2)CC1	ZINC000073197941	216362565	/nfs/dbraw/zinc/36/25/65/216362565.db2.gz	VUNPXDWWANCRLN-UHFFFAOYSA-N	1	1	330.436	0.553	1	30		ECEFMO
C[N@@H+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@]2([N+](=O)[O-])C=CC(=O)[C@@H]3O5	ZINC000040662564	213366672	/nfs/dbraw/zinc/36/66/72/213366672.db2.gz	GAQWUOFSJHTTOB-KKBVYLPWSA-N	1	1	328.324	0.806	1	30		ECEFMO
C[N@H+]1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@]2([N+](=O)[O-])C=CC(=O)[C@@H]3O5	ZINC000040662564	213366676	/nfs/dbraw/zinc/36/66/76/213366676.db2.gz	GAQWUOFSJHTTOB-KKBVYLPWSA-N	1	1	328.324	0.806	1	30		ECEFMO