smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccc(S)cc1C[NH2+]C1CCCCC1	ZINC000001688787	188100240	/nfs/dbraw/zinc/10/02/40/188100240.db2.gz	GGGFZFHPFBAEPD-UHFFFAOYSA-N	1	2	237.368	3.103	40	10		BGCBLO
N#CNc1c2ccccc2[nH+]c2ccccc21	ZINC000005594121	188102949	/nfs/dbraw/zinc/10/29/49/188102949.db2.gz	FBISOVGACPYXFV-UHFFFAOYSA-N	1	2	219.247	3.281	40	10		BGCBLO
CCOc1ccc([NH+]2[C@@H](C)CC[C@@H]2C)cc1N	ZINC000008732790	398275057	/nfs/dbraw/zinc/27/50/57/398275057.db2.gz	NAEDRXWGEFBISW-QWRGUYRKSA-N	1	2	234.343	3.045	40	10		BGCBLO
CCOc1ccc([N@@H+]2[C@H](C)CC[C@@H]2C)cc1N	ZINC000017957894	347273513	/nfs/dbraw/zinc/27/35/13/347273513.db2.gz	NAEDRXWGEFBISW-PHIMTYICSA-N	1	2	234.343	3.045	40	10		BGCBLO
CCOc1ccc([N@H+]2[C@H](C)CC[C@@H]2C)cc1N	ZINC000017957894	347273509	/nfs/dbraw/zinc/27/35/09/347273509.db2.gz	NAEDRXWGEFBISW-PHIMTYICSA-N	1	2	234.343	3.045	40	10		BGCBLO
CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1O	ZINC000026896464	384885889	/nfs/dbraw/zinc/88/58/89/384885889.db2.gz	DDTPTCVSSGSJDU-QMMMGPOBSA-N	1	2	220.099	3.109	40	10		BGCBLO
Cc1ccc(C)n1-c1ncccc1C1=[NH+]CCC1	ZINC000072216803	385097871	/nfs/dbraw/zinc/09/78/71/385097871.db2.gz	BROLHPLLYMYGMU-UHFFFAOYSA-N	1	2	239.322	3.072	40	10		BGCBLO
CC(F)(F)[C@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000409423823	343816239	/nfs/dbraw/zinc/81/62/39/343816239.db2.gz	APWZEFNOGCDLJA-JTQLQIEISA-N	1	2	240.297	3.140	40	10		BGCBLO
CC(F)(F)[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000409423823	343816236	/nfs/dbraw/zinc/81/62/36/343816236.db2.gz	APWZEFNOGCDLJA-JTQLQIEISA-N	1	2	240.297	3.140	40	10		BGCBLO
CC(F)(F)[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000409423826	343816442	/nfs/dbraw/zinc/81/64/42/343816442.db2.gz	APWZEFNOGCDLJA-SNVBAGLBSA-N	1	2	240.297	3.140	40	10		BGCBLO
CC(F)(F)[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000409423826	343816441	/nfs/dbraw/zinc/81/64/41/343816441.db2.gz	APWZEFNOGCDLJA-SNVBAGLBSA-N	1	2	240.297	3.140	40	10		BGCBLO
Nc1ccc([N@@H+](C2CC2)C2CCSCC2)cc1	ZINC000409436251	343837910	/nfs/dbraw/zinc/83/79/10/343837910.db2.gz	YWIYIHJGDHOURR-UHFFFAOYSA-N	1	2	248.395	3.133	40	10		BGCBLO
Nc1ccc([N@H+](C2CC2)C2CCSCC2)cc1	ZINC000409436251	343837909	/nfs/dbraw/zinc/83/79/09/343837909.db2.gz	YWIYIHJGDHOURR-UHFFFAOYSA-N	1	2	248.395	3.133	40	10		BGCBLO
Nc1ccc(-c2nc3cc(N=[NH2+])ccc3[nH]2)cc1	ZINC000584578843	490168633	/nfs/dbraw/zinc/16/86/33/490168633.db2.gz	OKAHOUVIFNSAGQ-UHFFFAOYSA-N	1	2	237.266	3.475	40	10		BGCBLO