smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1ccc(/C=C2\CCCC/C(=C/c3ccc(C(N)=[NH2+])cc3)C2=O)cc1	ZINC000001545717	204012256	/nfs/dbraw/zinc/01/22/56/204012256.db2.gz	BGRKMKHJBDYTGS-LRVMPXQBSA-N	2	0	372.472	3.865	10	30		FHEERP
CC(C)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000020917826	519720272	/nfs/dbraw/zinc/72/02/72/519720272.db2.gz	UVUUZUOHBJZOTQ-UHFFFAOYSA-N	2	0	362.583	3.670	10	30		FHEERP
C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C[NH+](C)C)cn1	ZINC000072421006	571053543	/nfs/dbraw/zinc/05/35/43/571053543.db2.gz	IUSRHYWCYRVQHP-HBMCJLEFSA-N	2	0	355.526	3.755	10	30		FHEERP
C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C[NH+](C)C)cn1	ZINC000072421007	571053807	/nfs/dbraw/zinc/05/38/07/571053807.db2.gz	IUSRHYWCYRVQHP-QHAWAJNXSA-N	2	0	355.526	3.755	10	30		FHEERP
NC(=[NH2+])c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(N)=[NH2+])cc3)C2=O)cc1	ZINC000008465316	518196830	/nfs/dbraw/zinc/19/68/30/518196830.db2.gz	BGRKMKHJBDYTGS-IWGRKNQJSA-N	2	0	372.472	3.865	10	30		FHEERP
N#Cc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C#N)cc4)cc3)cc2)cc1	ZINC000059295069	221125731	/nfs/dbraw/zinc/12/57/31/221125731.db2.gz	XQXUNGHBKUCADB-UHFFFAOYSA-N	2	0	360.420	3.650	10	30		FHEERP