smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748857	720861345	/nfs/dbraw/zinc/86/13/45/720861345.db2.gz	MNBBGYJRSWHEOS-ZIFCJYIRSA-N	1	0	434.541	2.019	20	70		IEIDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164791810	721474071	/nfs/dbraw/zinc/47/40/71/721474071.db2.gz	ZOHBGUBNXQSKPN-GOSISDBHSA-N	1	0	441.569	2.474	20	70		IEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748845	720861035	/nfs/dbraw/zinc/86/10/35/720861035.db2.gz	MNBBGYJRSWHEOS-JENIJYKNSA-N	1	0	434.541	2.019	20	70		IEIDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164713058	720144869	/nfs/dbraw/zinc/14/48/69/720144869.db2.gz	PROUMNGKIMRHBJ-QGZVFWFLSA-N	1	0	435.525	2.037	20	70		IEIDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164713057	720143585	/nfs/dbraw/zinc/14/35/85/720143585.db2.gz	PROUMNGKIMRHBJ-KRWDZBQOSA-N	1	0	435.525	2.037	20	70		IEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748854	720861217	/nfs/dbraw/zinc/86/12/17/720861217.db2.gz	MNBBGYJRSWHEOS-ZHALLVOQSA-N	1	0	434.541	2.019	20	70		IEIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748849	720861280	/nfs/dbraw/zinc/86/12/80/720861280.db2.gz	MNBBGYJRSWHEOS-YQVWRLOYSA-N	1	0	434.541	2.019	20	70		IEIDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164791812	721473825	/nfs/dbraw/zinc/47/38/25/721473825.db2.gz	ZOHBGUBNXQSKPN-SFHVURJKSA-N	1	0	441.569	2.474	20	70		IEIDRO