smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)n1ccc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000040398683	205068866	/nfs/dbraw/zinc/06/88/66/205068866.db2.gz	AKIZMYLXNISVSC-UHFFFAOYSA-N	1	2	369.425	0.241	40	5		FCBBLO
NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000001579643	204013915	/nfs/dbraw/zinc/01/39/15/204013915.db2.gz	XGOKAPWRMOFBPN-KGLIPLIRSA-N	1	2	372.381	0.383	40	5		FCBBLO
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000575419929	491553481	/nfs/dbraw/zinc/55/34/81/491553481.db2.gz	AVFFKKNPZFKQKI-QWHCGFSZSA-N	1	2	357.388	0.596	40	5		FCBBLO
COCC(=O)NC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004909065	206185095	/nfs/dbraw/zinc/18/50/95/206185095.db2.gz	QUWDJORDIWTTIZ-UHFFFAOYSA-N	1	2	350.375	0.760	40	5		FCBBLO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)CC2)C1=O	ZINC000017074199	229148634	/nfs/dbraw/zinc/14/86/34/229148634.db2.gz	LVPQJWNYTQHCAM-CQSZACIVSA-N	1	2	360.370	0.732	40	5		FCBBLO
NC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000001579645	487470137	/nfs/dbraw/zinc/47/01/37/487470137.db2.gz	XGOKAPWRMOFBPN-ZIAGYGMSSA-N	1	2	372.381	0.383	40	5		FCBBLO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O	ZINC000104015345	229162210	/nfs/dbraw/zinc/16/22/10/229162210.db2.gz	LVPQJWNYTQHCAM-AWEZNQCLSA-N	1	2	360.370	0.732	40	5		FCBBLO
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000575419927	491553498	/nfs/dbraw/zinc/55/34/98/491553498.db2.gz	AVFFKKNPZFKQKI-CHWSQXEVSA-N	1	2	357.388	0.596	40	5		FCBBLO
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000575419928	491553491	/nfs/dbraw/zinc/55/34/91/491553491.db2.gz	AVFFKKNPZFKQKI-OLZOCXBDSA-N	1	2	357.388	0.596	40	5		FCBBLO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)CC2)C1=O	ZINC000018029934	209605741	/nfs/dbraw/zinc/60/57/41/209605741.db2.gz	XRWBTFYEFBCDMS-CQSZACIVSA-N	1	2	360.370	0.732	40	5		FCBBLO
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000575419930	491553519	/nfs/dbraw/zinc/55/35/19/491553519.db2.gz	AVFFKKNPZFKQKI-STQMWFEESA-N	1	2	357.388	0.596	40	5		FCBBLO
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCOCC1	ZINC000019203930	211206449	/nfs/dbraw/zinc/20/64/49/211206449.db2.gz	BTKAAINHCRWVSD-UHFFFAOYSA-N	1	2	352.391	0.731	40	5		FCBBLO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O	ZINC000101982780	222288361	/nfs/dbraw/zinc/28/83/61/222288361.db2.gz	XRWBTFYEFBCDMS-AWEZNQCLSA-N	1	2	360.370	0.732	40	5		FCBBLO
COCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000004909013	487481495	/nfs/dbraw/zinc/48/14/95/487481495.db2.gz	SQBZODJRFRAUFH-UHFFFAOYSA-N	1	2	350.375	0.760	40	5		FCBBLO
NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000001579642	487470128	/nfs/dbraw/zinc/47/01/28/487470128.db2.gz	XGOKAPWRMOFBPN-KBPBESRZSA-N	1	2	372.381	0.383	40	5		FCBBLO
NC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000001579644	487470085	/nfs/dbraw/zinc/47/00/85/487470085.db2.gz	XGOKAPWRMOFBPN-UONOGXRCSA-N	1	2	372.381	0.383	40	5		FCBBLO