smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CCC[C@H]2C#N)cn1	ZINC000332956651	532214242	/nfs/dbraw/zinc/21/42/42/532214242.db2.gz	MVPVMDXAGCJHHR-JQWIXIFHSA-N	0	2	379.467	1.704	10	30		GDEELN
Cc1[nH][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000012575564	520900548	/nfs/dbraw/zinc/90/05/48/520900548.db2.gz	UHOVCKVNMMQOJQ-UHFFFAOYSA-N	0	2	383.433	1.712	10	30		GDEELN
Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2CCCC[C@@H]2O)cn1	ZINC000328799309	645277564	/nfs/dbraw/zinc/27/75/64/645277564.db2.gz	HBPIZKNTKSNSKS-NEPJUHHUSA-N	0	2	384.483	1.891	10	30		GDEELN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1/C(=N/O)c1nonc1N	ZINC000104057126	525067752	/nfs/dbraw/zinc/06/77/52/525067752.db2.gz	SDSJDSAJMMOELC-GMZAQUFOSA-N	0	2	395.807	1.948	10	30		GDEELN
Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CCC[C@@H]2C#N)cn1	ZINC000332956652	532214048	/nfs/dbraw/zinc/21/40/48/532214048.db2.gz	MVPVMDXAGCJHHR-PWSUYJOCSA-N	0	2	379.467	1.704	10	30		GDEELN
C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1	ZINC000113433357	530889753	/nfs/dbraw/zinc/88/97/53/530889753.db2.gz	AYWYWNBYGLLAKF-UHFFFAOYSA-N	0	2	384.263	1.596	10	30		GDEELN
C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1	ZINC000113433357	530889756	/nfs/dbraw/zinc/88/97/56/530889756.db2.gz	AYWYWNBYGLLAKF-UHFFFAOYSA-N	0	2	384.263	1.596	10	30		GDEELN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1/C(=N/O)c1nonc1N	ZINC000104057135	524671660	/nfs/dbraw/zinc/67/16/60/524671660.db2.gz	SDSJDSAJMMOELC-BMJSHXMSSA-N	0	2	395.807	1.948	10	30		GDEELN