smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1O	ZINC000298778350	172976529	/nfs/dbraw/zinc/97/65/29/172976529.db2.gz	JHKSJMUSVMWUHP-SNVBAGLBSA-N	0	2	237.215	0.361	20	10		BCCDLN
CN1CC(=O)N[C@H]1c1ccc(F)c(F)c1O	ZINC000864373272	589356248	/nfs/dbraw/zinc/35/62/48/589356248.db2.gz	GDQGIKUZRBIPDV-SNVBAGLBSA-N	0	2	228.198	0.731	20	10		BCCDLN
CCN(CC(N)=O)Cc1cc(F)cc(F)c1O	ZINC000708415292	712193359	/nfs/dbraw/zinc/19/33/59/712193359.db2.gz	WLMYVLWZTIOABY-UHFFFAOYSA-N	0	2	244.241	0.978	20	10		BCCDLN
C[NH2+]CC[NH2+]Cc1c(O)cccc1OC	ZINC000841034943	587937242	/nfs/dbraw/zinc/93/72/42/587937242.db2.gz	HQDSYFBXILWNQQ-UHFFFAOYSA-N	0	2	210.277	0.710	20	10		BCCDLN
CN1CC(=O)N[C@@H]1c1ccc(F)c(F)c1O	ZINC000864373265	589356387	/nfs/dbraw/zinc/35/63/87/589356387.db2.gz	GDQGIKUZRBIPDV-JTQLQIEISA-N	0	2	228.198	0.731	20	10		BCCDLN
CN1CC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1O	ZINC000298778347	383988294	/nfs/dbraw/zinc/98/82/94/383988294.db2.gz	JHKSJMUSVMWUHP-JTQLQIEISA-N	0	2	237.215	0.361	20	10		BCCDLN
O=C(OCc1n[nH]c(=O)[nH]1)C1=CC(=O)CS1	ZINC000774946074	585669787	/nfs/dbraw/zinc/66/97/87/585669787.db2.gz	AHBYULDONLFMQT-UHFFFAOYSA-N	0	2	241.228	0.634	20	10		BCCDLN
Cc1n[nH]c(NC(=O)c2cccc(O)c2O)n1	ZINC000126647194	590391897	/nfs/dbraw/zinc/39/18/97/590391897.db2.gz	MPTVTWHJTKHESB-UHFFFAOYSA-N	0	2	234.215	0.777	20	10		BCCDLN
CO[N-]C(=O)C[NH2+]Cc1ccc(F)c(F)c1O	ZINC000896924822	583857504	/nfs/dbraw/zinc/85/75/04/583857504.db2.gz	OWDXMHLQJUGDKW-UHFFFAOYSA-N	0	2	246.213	0.438	20	10		BCCDLN
O=C(NCc1n[nH]c(=O)[nH]1)C1=CC(=O)CS1	ZINC000748417325	585192704	/nfs/dbraw/zinc/19/27/04/585192704.db2.gz	DXQYDNCBPYHCRQ-UHFFFAOYSA-N	0	2	240.244	0.207	20	10		BCCDLN
O=C([O-])[C@H]1COCC[N@H+]1Cc1ccccc1O	ZINC000088382238	644520127	/nfs/dbraw/zinc/52/01/27/644520127.db2.gz	LBMDNUMWESYARR-SNVBAGLBSA-N	0	2	237.255	0.678	20	10		BCCDLN
O=C([O-])[C@H]1COCC[N@@H+]1Cc1ccccc1O	ZINC000088382238	644520130	/nfs/dbraw/zinc/52/01/30/644520130.db2.gz	LBMDNUMWESYARR-SNVBAGLBSA-N	0	2	237.255	0.678	20	10		BCCDLN
[NH3+]CC[N@@H+](CCO)Cc1cc(F)ccc1O	ZINC000841058490	587940952	/nfs/dbraw/zinc/94/09/52/587940952.db2.gz	HTLFTDRNPGCONM-UHFFFAOYSA-N	0	2	228.267	0.284	20	10		BCCDLN
CCONC(=O)CNC(=O)C1=CC(=O)CS1	ZINC000846661204	588281381	/nfs/dbraw/zinc/28/13/81/588281381.db2.gz	DSXJNHRGKDGCEZ-UHFFFAOYSA-N	0	2	244.272	0.251	20	10		BCCDLN
CN(Cc1n[nH]c(=O)[nH]1)c1ccc2c(c1)OCO2	ZINC000089266911	345552691	/nfs/dbraw/zinc/55/26/91/345552691.db2.gz	HOUXKCUNJXGQIX-UHFFFAOYSA-N	0	2	248.242	0.463	20	10		BCCDLN
CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000140492469	583446223	/nfs/dbraw/zinc/44/62/23/583446223.db2.gz	DPORWUYRVLHXJT-UHFFFAOYSA-N	0	2	232.217	0.672	20	10		BCCDLN
[NH3+]CC[N@@H+](CCO)Cc1cc(Cl)ccc1O	ZINC000841059215	587940901	/nfs/dbraw/zinc/94/09/01/587940901.db2.gz	NJNJJFLICJPKPO-UHFFFAOYSA-N	0	2	244.722	0.799	20	10		BCCDLN
CO[N-]C(=O)C[NH2+]Cc1cccc(Cl)c1O	ZINC000896927671	583859116	/nfs/dbraw/zinc/85/91/16/583859116.db2.gz	SZBJVMCTMMMKHL-UHFFFAOYSA-N	0	2	244.678	0.813	20	10		BCCDLN
O=C([O-])[C@@H]1COCC[N@H+]1Cc1ccccc1O	ZINC000088382240	644519728	/nfs/dbraw/zinc/51/97/28/644519728.db2.gz	LBMDNUMWESYARR-JTQLQIEISA-N	0	2	237.255	0.678	20	10		BCCDLN
O=C([O-])[C@@H]1COCC[N@@H+]1Cc1ccccc1O	ZINC000088382240	644519730	/nfs/dbraw/zinc/51/97/30/644519730.db2.gz	LBMDNUMWESYARR-JTQLQIEISA-N	0	2	237.255	0.678	20	10		BCCDLN