smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2	ZINC000014741487	519289788	/nfs/dbraw/zinc/28/97/88/519289788.db2.gz	DQLOQVFEWYPALO-FQEVSTJZSA-N	1	1	470.017	2.862	10	30		JFEEMO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2	ZINC000014741487	519289795	/nfs/dbraw/zinc/28/97/95/519289795.db2.gz	DQLOQVFEWYPALO-FQEVSTJZSA-N	1	1	470.017	2.862	10	30		JFEEMO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2	ZINC000014741486	519286050	/nfs/dbraw/zinc/28/60/50/519286050.db2.gz	DQLOQVFEWYPALO-HXUWFJFHSA-N	1	1	470.017	2.862	10	30		JFEEMO
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2	ZINC000014741486	519286058	/nfs/dbraw/zinc/28/60/58/519286058.db2.gz	DQLOQVFEWYPALO-HXUWFJFHSA-N	1	1	470.017	2.862	10	30		JFEEMO
C=CCOc1ccccc1CN1CCc2c(C(=O)OC)c(OC[C@H]3CCC[N@@H+](C)C3)cc(=O)n2CC1	ZINC000012099812	519070039	/nfs/dbraw/zinc/07/00/39/519070039.db2.gz	DMZPWRWHLGHVOH-NRFANRHFSA-N	1	1	495.620	2.979	10	30		JFEEMO
[NH3+][C@H](CCCCC(=O)ON1C(=O)CCC1=O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000097972946	569748242	/nfs/dbraw/zinc/74/82/42/569748242.db2.gz	XHFQHCFLECMRIQ-OAQYLSRUSA-N	1	1	450.491	2.837	10	30		JFEEMO
C=CCOc1ccccc1CN1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[N@@H+](C)C3)cc(=O)n2CC1	ZINC000012099811	519070427	/nfs/dbraw/zinc/07/04/27/519070427.db2.gz	DMZPWRWHLGHVOH-OAQYLSRUSA-N	1	1	495.620	2.979	10	30		JFEEMO
[NH3+][C@@H](CCCCC(=O)ON1C(=O)CCC1=O)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000097972947	569748249	/nfs/dbraw/zinc/74/82/49/569748249.db2.gz	XHFQHCFLECMRIQ-NRFANRHFSA-N	1	1	450.491	2.837	10	30		JFEEMO