smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1	ZINC000514105918	336357855	/nfs/dbraw/zinc/35/78/55/336357855.db2.gz	UNGZPNUFQJYCPG-FQEVSTJZSA-N	2	2	324.468	4.541	20	30		DJEDLP
C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(Cl)c2F)CC1	ZINC000461102682	339059439	/nfs/dbraw/zinc/05/94/39/339059439.db2.gz	POLNYOWJXRXOOK-QGZVFWFLSA-N	2	2	324.871	4.560	20	30		DJEDLP
C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3ccccc3)c2)CC1	ZINC000482632148	339638131	/nfs/dbraw/zinc/63/81/31/339638131.db2.gz	UHFXIDURUOPQMW-SFHVURJKSA-N	2	2	320.480	4.655	20	30		DJEDLP
C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(Cl)c2F)CC1	ZINC000461102680	339059443	/nfs/dbraw/zinc/05/94/43/339059443.db2.gz	POLNYOWJXRXOOK-KRWDZBQOSA-N	2	2	324.871	4.560	20	30		DJEDLP
C=CC[NH+]1CCC([NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1	ZINC000537296941	337929094	/nfs/dbraw/zinc/92/90/94/337929094.db2.gz	ZIOMRWNNXSJOHQ-LJQANCHMSA-N	2	2	318.480	4.543	20	30		DJEDLP
C=CCCCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1	ZINC000482887403	339645911	/nfs/dbraw/zinc/64/59/11/339645911.db2.gz	LDNKFQUMLKJHBS-UHFFFAOYSA-N	2	2	311.473	4.728	20	30		DJEDLP
C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1	ZINC000514105919	336357827	/nfs/dbraw/zinc/35/78/27/336357827.db2.gz	UNGZPNUFQJYCPG-HXUWFJFHSA-N	2	2	324.468	4.541	20	30		DJEDLP
C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)CC1	ZINC000482623068	339637676	/nfs/dbraw/zinc/63/76/76/339637676.db2.gz	YFKAUARCHWISFV-SFHVURJKSA-N	2	2	320.480	4.655	20	30		DJEDLP
C=CCCC[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1	ZINC000482897098	339646425	/nfs/dbraw/zinc/64/64/25/339646425.db2.gz	MKRNAKZTMSMQRU-MRXNPFEDSA-N	2	2	311.473	4.726	20	30		DJEDLP