smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OCCC	ZINC000026743611	561818358	/nfs/dbraw/zinc/81/83/58/561818358.db2.gz	CNZONXYVGCXFKX-HZPDHXFCSA-N	1	1	557.582	1.210	1	5		KDBFMO
CCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OCCC	ZINC000026743617	561818366	/nfs/dbraw/zinc/81/83/66/561818366.db2.gz	CNZONXYVGCXFKX-CVEARBPZSA-N	1	1	557.582	1.210	1	5		KDBFMO
CCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OCCC	ZINC000026743622	561818349	/nfs/dbraw/zinc/81/83/49/561818349.db2.gz	CNZONXYVGCXFKX-JKSUJKDBSA-N	1	1	557.582	1.210	1	5		KDBFMO
CCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OCCC	ZINC000026743627	561818385	/nfs/dbraw/zinc/81/83/85/561818385.db2.gz	CNZONXYVGCXFKX-HOTGVXAUSA-N	1	1	557.582	1.210	1	5		KDBFMO
CCCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OCCCC	ZINC000026743907	561818512	/nfs/dbraw/zinc/81/85/12/561818512.db2.gz	WNYIJZVMMGPFJN-QZTJIDSGSA-N	1	1	585.636	1.990	1	5		KDBFMO
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H]([NH3+])C(=O)OCCCC	ZINC000026743911	561818523	/nfs/dbraw/zinc/81/85/23/561818523.db2.gz	WNYIJZVMMGPFJN-MSOLQXFVSA-N	1	1	585.636	1.990	1	5		KDBFMO
CCCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OCCCC	ZINC000026743914	561818535	/nfs/dbraw/zinc/81/85/35/561818535.db2.gz	WNYIJZVMMGPFJN-ZWKOTPCHSA-N	1	1	585.636	1.990	1	5		KDBFMO
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H]([NH3+])C(=O)OCCCC	ZINC000026743919	561818514	/nfs/dbraw/zinc/81/85/14/561818514.db2.gz	WNYIJZVMMGPFJN-ROUUACIJSA-N	1	1	585.636	1.990	1	5		KDBFMO
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)NCCCCCCNC(=O)c1c2ccccc2nc2ccccc21	ZINC000028713336	561953901	/nfs/dbraw/zinc/95/39/01/561953901.db2.gz	IYMGLECFCLNMNZ-NRFANRHFSA-N	1	1	534.665	1.501	1	5		KDBFMO
NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)NCCCCCCNC(=O)c1c2ccccc2nc2ccccc21	ZINC000028713337	561953915	/nfs/dbraw/zinc/95/39/15/561953915.db2.gz	IYMGLECFCLNMNZ-OAQYLSRUSA-N	1	1	534.665	1.501	1	5		KDBFMO
CS(=O)(=O)NCCN([C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000029479775	562027037	/nfs/dbraw/zinc/02/70/37/562027037.db2.gz	UAYRVYWMKPHXLJ-GCJKJVERSA-N	1	1	508.622	1.897	1	5		KDBFMO
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCN1CC[NH+](CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000066263216	562715546	/nfs/dbraw/zinc/71/55/46/562715546.db2.gz	ISLXXBACAMXLTL-UHFFFAOYSA-N	1	1	550.528	1.793	1	5		KDBFMO
N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072113839	562722487	/nfs/dbraw/zinc/72/24/87/562722487.db2.gz	XYJODOAAFORUMP-RCTAOEEJSA-N	1	1	505.575	1.369	1	5		KDBFMO
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)NC(C)(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000073224791	562736722	/nfs/dbraw/zinc/73/67/22/562736722.db2.gz	KROLGZRAUFDIAY-GNKBHMEESA-N	1	1	628.727	1.872	1	5		KDBFMO
O=C(Nc1ccc([N+](=O)[O-])cn1)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C1=O	ZINC000169694473	562865277	/nfs/dbraw/zinc/86/52/77/562865277.db2.gz	DAELDRHQUFFKCS-JKEJHZGNSA-N	1	1	506.515	1.693	1	5		KDBFMO
O=C(Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C1=O	ZINC000169694474	562865310	/nfs/dbraw/zinc/86/53/10/562865310.db2.gz	DAELDRHQUFFKCS-DLTOXUROSA-N	1	1	506.515	1.693	1	5		KDBFMO