smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c(-c2coc3cc4c(c(=O)c-3c2O)C=CC(C)(C)O4)cc1OC	ZINC000095486330	291264707	/nfs/dbraw/zinc/26/47/07/291264707.db2.gz	GYGPTQYOPPTMND-UHFFFAOYSA-N	0	1	410.422	4.376	1	0	biogenic,in-vitro	HIAFMN
COc1cc(OC)c(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc1OC	ZINC000095486330	291264711	/nfs/dbraw/zinc/26/47/11/291264711.db2.gz	GYGPTQYOPPTMND-UHFFFAOYSA-N	0	1	410.422	4.376	1	0	biogenic,in-vitro	HIAFMN
COc1ccc(NC(=O)c2ccc(-c3ccncc3)c(C)c2)cc1N1CCN(C)CC1	ZINC000000598489	560178486	/nfs/dbraw/zinc/17/84/86/560178486.db2.gz	GNOXPYACARZYMW-UHFFFAOYSA-N	0	1	416.525	4.070	1	0	in-vitro	HIAFMN
CCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1	ZINC000004980546	535743403	/nfs/dbraw/zinc/74/34/03/535743403.db2.gz	KNLBJJWWKPSMLJ-UHFFFAOYSA-N	0	1	401.489	4.344	3	0		HIAFMN
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)c2)CC1	ZINC000000598896	132228980	/nfs/dbraw/zinc/22/89/80/132228980.db2.gz	RTJRXNDVJCWGSK-UHFFFAOYSA-N	0	1	421.585	4.309	1	0		HIAFMN
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1	ZINC000000835560	519784599	/nfs/dbraw/zinc/78/45/99/519784599.db2.gz	AQMSXOSMVXZSPU-UHFFFAOYSA-N	0	1	421.585	4.309	1	0		HIAFMN
c1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1	ZINC000026574732	581092276	/nfs/dbraw/zinc/09/22/76/581092276.db2.gz	ZUXITOJFACOGFP-UHFFFAOYSA-N	0	1	413.525	4.216	1	0		HIAFMN
Cc1cccc(Cl)c1Nc1nc2cc(N3CCN(C)CC3)ccc2n2cncc12	ZINC000013860337	581092868	/nfs/dbraw/zinc/09/28/68/581092868.db2.gz	KFXDFKOIKVEJBQ-UHFFFAOYSA-N	0	1	406.921	4.340	1	0		HIAFMN
Cc1cccc2c(=O)[nH]c(C3=C[C@H](N4CCN(c5ccc(Cl)cc5)CC4)CC3)nc12	ZINC000028954786	581093156	/nfs/dbraw/zinc/09/31/56/581093156.db2.gz	QJKXVFJNFCANON-HXUWFJFHSA-N	0	1	420.944	4.253	1	0		HIAFMN
Cc1cccc2c(=O)[nH]c(C3=C[C@@H](N4CCN(c5ccc(Cl)cc5)CC4)CC3)nc12	ZINC000028954783	581092993	/nfs/dbraw/zinc/09/29/93/581092993.db2.gz	QJKXVFJNFCANON-FQEVSTJZSA-N	0	1	420.944	4.253	1	0		HIAFMN
CC[C@@H](O)c1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(C/C=C/c1ccccc1)[C@H](O)C3	ZINC000085593562	291263276	/nfs/dbraw/zinc/26/32/76/291263276.db2.gz	VDUTYPQENGHNNX-JQZMJCINSA-N	0	1	422.477	4.100	1	0	biogenic,in-vitro	HIAFMN
CC(C)=CCc1c2c(c(=O)c3c([O-])c(-c4ccc(O)cc4)coc1-3)C[C@@H](C(C)(C)O)O2	ZINC000003645834	291261332	/nfs/dbraw/zinc/26/13/32/291261332.db2.gz	LKFQSODZCVNSSG-IBGZPJMESA-N	0	1	422.477	4.454	1	0	biogenic,in-vitro	HIAFMN
CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CO[C@@H]2CCCO2)CC1	ZINC000013797079	132459431	/nfs/dbraw/zinc/45/94/31/132459431.db2.gz	QCGLXCFFWQYKLF-HSZRJFAPSA-N	0	1	403.526	4.307	1	0		HIAFMN
Cc1csc(N2CCN(c3cc4nc(-c5ccncc5)[nH]c4cc3Cl)CC2)n1	ZINC000012470792	132361005	/nfs/dbraw/zinc/36/10/05/132361005.db2.gz	UQARHRUZVFJDBS-UHFFFAOYSA-N	0	1	410.934	4.370	3	0		HIAFMN
Nc1nc(N)c(F)c(-c2nc(-c3cc4ccccc4o3)c(-c3ccncc3)[nH]2)c1F	ZINC000012365502	581098499	/nfs/dbraw/zinc/09/84/99/581098499.db2.gz	XIFPQQYHCBDVIB-UHFFFAOYSA-N	0	1	404.380	4.390	1	0		HIAFMN
CN1CCN(c2cc3c(cc2Nc2ccccc2)[nH]c(=O)n3CC2CCCCC2)CC1	ZINC000003942717	132269201	/nfs/dbraw/zinc/26/92/01/132269201.db2.gz	OHZVAMGTHJQJRP-UHFFFAOYSA-N	0	1	419.573	4.405	1	0		HIAFMN
C[C@H]1CC(=O)N(C)c2c(CCN3CCN(c4nsc5ccccc54)CC3)cccc21	ZINC000028528238	132493106	/nfs/dbraw/zinc/49/31/06/132493106.db2.gz	XMEJLZITUOYZLM-KRWDZBQOSA-N	0	1	420.582	4.131	1	0		HIAFMN
COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c(CCc2ccccc2)c1=O	ZINC000085633030	291264755	/nfs/dbraw/zinc/26/47/55/291264755.db2.gz	UJLJSQRDKOSNAE-UHFFFAOYSA-N	0	1	404.418	4.371	1	0	biogenic,in-vitro	HIAFMN
COc1cc2c(cc1OC)-c1c(=O)c3c(O)c4c(cc3oc1CO2)OC(C)(C)C=C4	ZINC000014768757	560226112	/nfs/dbraw/zinc/22/61/12/560226112.db2.gz	OAHQAFDPMFGAMP-UHFFFAOYSA-N	0	1	408.406	4.259	1	0	biogenic,in-vitro	HIAFMN
COc1cc2c(cc1OC)-c1c(O)c3c(=O)c4c(cc-3oc1CO2)OC(C)(C)C=C4	ZINC000014768757	560226113	/nfs/dbraw/zinc/22/61/13/560226113.db2.gz	OAHQAFDPMFGAMP-UHFFFAOYSA-N	0	1	408.406	4.259	1	0	biogenic,in-vitro	HIAFMN