smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O	ZINC000095560724	563182233	/nfs/dbraw/zinc/18/22/33/563182233.db2.gz	AOCYVMBAYNHOAD-UHFFFAOYSA-N	0	1	442.896	3.077	1	10		IGCFMN
COc1ccc(N2CCN(C(=O)CCCn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1	ZINC000064492146	563153769	/nfs/dbraw/zinc/15/37/69/563153769.db2.gz	MKZJNIAQVBBHSU-UHFFFAOYSA-N	0	1	438.553	3.197	1	10		IGCFMN
CN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4c(nccc4-c4cccc(F)c4)O3)cc2)CC1	ZINC000061904381	563148131	/nfs/dbraw/zinc/14/81/31/563148131.db2.gz	IHHDAKVQWYDGJA-DEOSSOPVSA-N	0	1	446.526	3.259	3	10		IGCFMN
CN1CCN(c2ccc(CNC(=O)[C@H]3Cc4c(nccc4-c4cccc(F)c4)O3)cc2)CC1	ZINC000061904382	563148169	/nfs/dbraw/zinc/14/81/69/563148169.db2.gz	IHHDAKVQWYDGJA-XMMPIXPASA-N	0	1	446.526	3.259	3	10		IGCFMN
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(-c5ccccc5)n[nH]c2C4=NCC3)cc1	ZINC000013687159	563001212	/nfs/dbraw/zinc/00/12/12/563001212.db2.gz	IKAVKWVQISADCZ-UHFFFAOYSA-N	0	1	442.500	3.362	1	10		IGCFMN
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(N4CCN(C)CC4)cc3)C[C@H]1C=N2	ZINC000049808187	563140345	/nfs/dbraw/zinc/14/03/45/563140345.db2.gz	COXHJKMNQZBHMB-FQEVSTJZSA-N	0	1	432.524	3.427	1	10		IGCFMN
O=C1NC(=O)C(=Cc2ccc(OCCOc3ccc(Br)cc3)cc2)C(=O)N1	ZINC000040431235	563103605	/nfs/dbraw/zinc/10/36/05/563103605.db2.gz	RSJPEIKUNUDIOA-UHFFFAOYSA-N	0	1	431.242	3.497	1	10		IGCFMN
Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2[nH]nc(-c5ccccc5)c2C4=NCC3)cc1	ZINC000013687124	563001199	/nfs/dbraw/zinc/00/11/99/563001199.db2.gz	WVXXRXIFFGAKDA-UHFFFAOYSA-N	0	1	442.500	3.362	1	10		IGCFMN
CN1CCN(c2ccc(CNC(=O)[C@H]3Cc4c(nccc4-c4ccccc4)O3)cc2)CC1	ZINC000061908974	563149069	/nfs/dbraw/zinc/14/90/69/563149069.db2.gz	GAPANDJLCBYXQE-XMMPIXPASA-N	0	1	428.536	3.120	3	10		IGCFMN
O=C(CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)c([O-])c([N+](=O)[O-])c1	ZINC000003975390	562940264	/nfs/dbraw/zinc/94/02/64/562940264.db2.gz	KVIVJQWOYSWCCZ-UHFFFAOYSA-N	0	1	439.390	3.420	1	10	in-vivo	IGCFMN
CC(=O)NCCCCCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000028769793	563064317	/nfs/dbraw/zinc/06/43/17/563064317.db2.gz	QYSXOBLSSUSVDA-UHFFFAOYSA-N	0	1	436.556	3.154	1	10		IGCFMN
COc1ccc(C(=O)N2NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1	ZINC000040939322	563113371	/nfs/dbraw/zinc/11/33/71/563113371.db2.gz	BBIPBEAEVJEJBH-PXLXIMEGSA-N	0	1	428.444	3.371	1	10		IGCFMN
CN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4c(nccc4-c4ccccc4)O3)cc2)CC1	ZINC000061908973	563149049	/nfs/dbraw/zinc/14/90/49/563149049.db2.gz	GAPANDJLCBYXQE-DEOSSOPVSA-N	0	1	428.536	3.120	3	10		IGCFMN
Nc1ccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)cc1	ZINC000064540276	563155245	/nfs/dbraw/zinc/15/52/45/563155245.db2.gz	DVDWMIOVEWMQFM-UHFFFAOYSA-N	0	1	426.386	3.364	1	10		IGCFMN