smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)N1[C@H]1CCC(=O)N(CSC(=S)NCc2ccccc2)C1=O	ZINC000040380694	563137653	/nfs/dbraw/zinc/13/76/53/563137653.db2.gz	ILDCBOFJMLSAFV-KRWDZBQOSA-N	0	1	453.545	2.566	1	10		JFCFMN
COCCOc1ccc(N2CCN(CCSc3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1	ZINC000040410849	563140670	/nfs/dbraw/zinc/14/06/70/563140670.db2.gz	JAAZMFLAXXMDNB-UHFFFAOYSA-N	0	1	495.609	2.906	1	10		JFCFMN
Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cc(O)c(CN3CCOCC3)cc2C1=O	ZINC000013588624	562977666	/nfs/dbraw/zinc/97/76/66/562977666.db2.gz	FPTLNIKQDHBHON-UHFFFAOYSA-N	0	1	466.538	2.602	1	10		JFCFMN
COc1cc2c3c(n(CCCN4CCC[C@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064636	563118628	/nfs/dbraw/zinc/11/86/28/563118628.db2.gz	HFAMICGWCKPRLI-HNNXBMFYSA-N	0	1	492.528	2.806	1	10		JFCFMN
CCOc1ccc(N2CCN(CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)cc1	ZINC000028891758	563085207	/nfs/dbraw/zinc/08/52/07/563085207.db2.gz	IOSLXICJNAAKOP-UHFFFAOYSA-N	0	1	473.541	2.537	1	10		JFCFMN
COc1cc2c3c(n(CCCN4CCC[C@@H](O)C4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064639	563118689	/nfs/dbraw/zinc/11/86/89/563118689.db2.gz	HFAMICGWCKPRLI-OAHLLOKOSA-N	0	1	492.528	2.806	1	10		JFCFMN
CN1CCN(c2ccc(CNC(=O)[C@@]3(C)Cc4c(nccc4-c4ccc(C(N)=O)cc4)O3)cc2)CC1	ZINC000061898151	563209931	/nfs/dbraw/zinc/20/99/31/563209931.db2.gz	JJNKGVWCBZNHKP-MUUNZHRXSA-N	0	1	485.588	2.609	3	10		JFCFMN
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C([O-])=C[N+]#N	ZINC000026294196	563025893	/nfs/dbraw/zinc/02/58/93/563025893.db2.gz	XYNNBMPPUXHTFJ-SFTDATJTSA-N	0	1	452.511	2.630	1	10		JFCFMN
CN(C)c1ccc(-c2nc3c(nccc3N3CCN(CC(=O)Nc4nccs4)CC3)[nH]2)cc1	ZINC000028824606	563082018	/nfs/dbraw/zinc/08/20/18/563082018.db2.gz	VFWMNSOXRYPIMW-UHFFFAOYSA-N	0	1	462.583	2.908	1	10		JFCFMN
O=C1c2ccccc2C(=O)N1[C@@H]1CCC(=O)N(CSC(=S)NCc2ccccc2)C1=O	ZINC000040380695	563137694	/nfs/dbraw/zinc/13/76/94/563137694.db2.gz	ILDCBOFJMLSAFV-QGZVFWFLSA-N	0	1	453.545	2.566	1	10		JFCFMN
C/C(=C\C[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O)CCc1ccnc(N)c1	ZINC000085592746	560065625	/nfs/dbraw/zinc/06/56/25/560065625.db2.gz	UUNXUSRMNMHXNE-GRFXEHPHSA-N	0	1	464.518	2.836	1	10	biogenic,in-vitro	JFCFMN
CN1CCN(c2ccc(CNC(=O)[C@]3(C)Cc4c(nccc4-c4ccc(C(N)=O)cc4)O3)cc2)CC1	ZINC000061898158	563209910	/nfs/dbraw/zinc/20/99/10/563209910.db2.gz	JJNKGVWCBZNHKP-NDEPHWFRSA-N	0	1	485.588	2.609	3	10		JFCFMN
Cc1ccc(S(=O)(=O)C2=c3nc4ccccc4cc3=C3C2=C(O)c2ccccc2C3=O)cc1	ZINC000017219224	563013854	/nfs/dbraw/zinc/01/38/54/563013854.db2.gz	OBVHXMPLYALSLH-HSZRJFAPSA-N	0	1	451.503	2.985	1	10		JFCFMN
COc1cc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000035064642	563118693	/nfs/dbraw/zinc/11/86/93/563118693.db2.gz	NRKUWWSKJLFGMB-UHFFFAOYSA-N	0	1	491.544	2.596	1	10		JFCFMN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc(N)cc2)CC1	ZINC000045498671	563196289	/nfs/dbraw/zinc/19/62/89/563196289.db2.gz	AGHJTSUKNAUSLC-BJKOFHAPSA-N	0	1	454.615	2.883	1	10		JFCFMN