smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1	ZINC000159792343	525548744	/nfs/dbraw/zinc/54/87/44/525548744.db2.gz	JVYRGVOGBLPWBC-MRVPVSSYSA-N	1	0	319.277	3.568	50	70		DHIARO
[NH3+]C1CC(c2cc(NCc3c(Cl)cccc3Cl)ncn2)C1	ZINC000218653976	563717094	/nfs/dbraw/zinc/71/70/94/563717094.db2.gz	JMVPPSBKFVJWIC-UHFFFAOYSA-N	1	0	323.227	3.600	50	70		DHIARO
Cc1ccsc1C[N@H+](C)Cc1cnc(N2CCCC2)s1	ZINC000218437293	563716142	/nfs/dbraw/zinc/71/61/42/563716142.db2.gz	JMTSPSPUJFWMHG-UHFFFAOYSA-N	1	0	307.488	3.745	50	70		DHIARO
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(-c3cccc(Cl)c3)o1)C2	ZINC000216934693	563712301	/nfs/dbraw/zinc/71/23/01/563712301.db2.gz	PWOCOICDOJOPLM-UOIKSKOESA-N	1	0	317.816	3.803	50	70		DHIARO
Cc1ccccc1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000217671408	563713949	/nfs/dbraw/zinc/71/39/49/563713949.db2.gz	GMYDQFFDXBCIFO-LJQANCHMSA-N	1	0	320.436	3.582	50	70		DHIARO
Cc1ccccc1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000217671501	563714134	/nfs/dbraw/zinc/71/41/34/563714134.db2.gz	GMYDQFFDXBCIFO-IBGZPJMESA-N	1	0	320.436	3.582	50	70		DHIARO
C(CN1CCC(OC2CCCCC2)CC1)C[NH+]1CCCCC1	ZINC000160747885	337383404	/nfs/dbraw/zinc/38/34/04/337383404.db2.gz	JNANMQDAKQTDHT-UHFFFAOYSA-N	1	0	308.510	3.676	50	70		DHIARO
C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1	ZINC000159792206	525475285	/nfs/dbraw/zinc/47/52/85/525475285.db2.gz	JVYRGVOGBLPWBC-QMMMGPOBSA-N	1	0	319.277	3.568	50	70		DHIARO