smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)[C@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])cc1	ZINC000027179844	563040724	/nfs/dbraw/zinc/04/07/24/563040724.db2.gz	IUXJKNRNDXEBRV-ZDUSSCGKSA-N	-1	3	474.474	2.242	1	5		JEBFHM
COc1ccc(NC(=O)[C@@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])cc1	ZINC000027179839	563040769	/nfs/dbraw/zinc/04/07/69/563040769.db2.gz	IUXJKNRNDXEBRV-CYBMUJFWSA-N	-1	3	474.474	2.242	1	5		JEBFHM
CN(Cc1ccn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)n3CCC(=O)[O-])c1)Cc1ccccc1	ZINC000013445042	562964024	/nfs/dbraw/zinc/96/40/24/562964024.db2.gz	IQVBCMPEVJHLKH-UHFFFAOYSA-N	-1	3	477.477	2.495	1	5		JEBFHM
COC(=S)[N-]C[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	ZINC000045284216	563183615	/nfs/dbraw/zinc/18/36/15/563183615.db2.gz	XYOGGPGTUYSEST-INIZCTEOSA-N	-1	3	493.517	2.495	1	5		JEBFHM
COC(=O)c1ccc(CN(CCc2c(N)nc(N)[n-]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1	ZINC000029240892	563099288	/nfs/dbraw/zinc/09/92/88/563099288.db2.gz	GSABTJLSRAOHIN-UHFFFAOYSA-N	-1	3	474.424	2.157	1	5		JEBFHM
COC(=O)c1ccc(CN(CCc2c(N)nc(N)[n-]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1	ZINC000029240027	563099316	/nfs/dbraw/zinc/09/93/16/563099316.db2.gz	FFWIAQYQPWMNCR-UHFFFAOYSA-N	-1	3	474.424	2.157	1	5		JEBFHM
COC(=O)c1ccc(CN(CCc2c(N)nc(N)[n-]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1	ZINC000029239617	563099281	/nfs/dbraw/zinc/09/92/81/563099281.db2.gz	PIPCYCQDPKZNFI-UHFFFAOYSA-N	-1	3	456.434	2.018	1	5		JEBFHM
COc1ccc(-c2csc(=NC(=O)c3cc(=O)[n-]c(=O)[nH]3)n2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000040898928	563154449	/nfs/dbraw/zinc/15/44/49/563154449.db2.gz	KAOCAVCEEXIALT-FLFQWRMESA-N	-1	3	465.447	2.240	1	5		JEBFHM
COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[n-]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1	ZINC000029245767	563099399	/nfs/dbraw/zinc/09/93/99/563099399.db2.gz	VRVPIMQCQOEEEQ-UHFFFAOYSA-N	-1	3	470.461	2.408	1	5		JEBFHM
COC(=O)[C@]1(O)Cn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C[C@H]1O)C(=O)[N-]C4=O	ZINC000043011572	563164095	/nfs/dbraw/zinc/16/40/95/563164095.db2.gz	DMECWJSRBVZTGX-DXPJPUQTSA-N	-1	3	469.453	2.065	1	5		JEBFHM
COC(=O)c1ccc(CN(CCc2c(N)nc(N)[n-]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1	ZINC000029240875	563099301	/nfs/dbraw/zinc/09/93/01/563099301.db2.gz	RPEXSOBHBFJSSX-UHFFFAOYSA-N	-1	3	474.424	2.157	1	5		JEBFHM