smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C(NCCc2cc(Cl)c(O)c(Cl)c2)C(=O)c2ncccc21	ZINC000103234353	209249905	/nfs/dbraw/zinc/24/99/05/209249905.db2.gz	PMIABBBTRIAFJE-UHFFFAOYSA-N	0	2	363.200	3.189	1	30		FGEFLN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N	ZINC000100530024	209214929	/nfs/dbraw/zinc/21/49/29/209214929.db2.gz	OARIAFKCQWDTON-IBGZPJMESA-N	0	2	373.372	3.177	3	30		FGEFLN
CCCCCCCCCCCCCOc1c(O)oc([C@@H](O)CO)c1O	ZINC000101329330	209224235	/nfs/dbraw/zinc/22/42/35/209224235.db2.gz	ZSFJFGMEIFARPT-RDJZCZTQSA-N	0	2	358.475	3.362	1	30		FGEFLN
CC(C)N1CC(=O)C(=C(O)c2ccc(OCc3ccccc3)cc2)C1=O	ZINC000103154551	209247293	/nfs/dbraw/zinc/24/72/93/209247293.db2.gz	CRVVXNNXILCLLJ-VXPUYCOJSA-N	0	2	351.402	3.354	1	30		FGEFLN
O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1cc(F)cc2c1OCOC2	ZINC000043072291	208300193	/nfs/dbraw/zinc/30/01/93/208300193.db2.gz	WGRJRRSLWPQGGR-HKWRFOASSA-N	0	2	362.744	3.071	1	30		FGEFLN
CC1(C)O[C@@H]1Cc1c(O)cc2occ(-c3ccc(O)cc3)c(O)c-2c1=O	ZINC000014819505	291067401	/nfs/dbraw/zinc/06/74/01/291067401.db2.gz	YJILLRPKQUAGBQ-MRXNPFEDSA-N	0	2	354.358	3.297	1	30	biogenic,in-vitro	FGEFLN
CCCCCCCCCCCCCOc1c(O)oc([C@H](O)CO)c1O	ZINC000101329325	222269747	/nfs/dbraw/zinc/26/97/47/222269747.db2.gz	ZSFJFGMEIFARPT-WBVHZDCISA-N	0	2	358.475	3.362	1	30		FGEFLN
C[C@@]12C[C@@H]1CC[C@]1(C)c3c(O)c4oc(CO)cc4c(O)c3C(=O)C(=O)C21	ZINC000064549822	221148247	/nfs/dbraw/zinc/14/82/47/221148247.db2.gz	DCWHKOHERGJPMN-YZQYHBQDSA-N	0	2	356.374	3.422	1	30		FGEFLN
C=C(C)[C@H](O)Cc1c(O)cc2occ(-c3ccc(O)cc3)c(O)c-2c1=O	ZINC000014819515	291065124	/nfs/dbraw/zinc/06/51/24/291065124.db2.gz	GGHDLVXWIPWSLS-OAHLLOKOSA-N	0	2	354.358	3.056	1	30	biogenic,in-vitro	FGEFLN
C=C(C)[C@H](O)Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O	ZINC000014819515	291065128	/nfs/dbraw/zinc/06/51/28/291065128.db2.gz	GGHDLVXWIPWSLS-OAHLLOKOSA-N	0	2	354.358	3.056	1	30	biogenic,in-vitro	FGEFLN
CS(=O)(=O)c1cccc(-c2c(O)[nH]c3cc(Cl)c(C#N)cc3c2=O)c1	ZINC000036185234	205006695	/nfs/dbraw/zinc/00/66/95/205006695.db2.gz	IJIKHUPDFREEAI-UHFFFAOYSA-N	0	2	374.805	3.242	1	30		FGEFLN
CCCCCCCCCCCCCOc1c(O)oc([C@H](O)CO)c1O	ZINC000101329321	205957233	/nfs/dbraw/zinc/95/72/33/205957233.db2.gz	ZSFJFGMEIFARPT-NVXWUHKLSA-N	0	2	358.475	3.362	1	30		FGEFLN
COc1cc(OC)c(C(=O)/C=C/c2cc[nH]c2)c(O)c1Br	ZINC000103224036	209249434	/nfs/dbraw/zinc/24/94/34/209249434.db2.gz	FENYPVLUEAUFMZ-ONEGZZNKSA-N	0	2	352.184	3.396	1	30		FGEFLN
C[NH2+]Cc1cc(C#CCC[NH+]2CCOCC2)ccc1Oc1cccc(F)c1	ZINC000028825131	210165768	/nfs/dbraw/zinc/16/57/68/210165768.db2.gz	SYDKBCVMFJSWKD-UHFFFAOYSA-N	0	2	368.452	3.411	1	30	in-vitro	FGEFLN
O=C(/C=C/c1ccc2c(c1)Cc1sc(Nc3ccccn3)nc1-2)NO	ZINC000096923432	222140504	/nfs/dbraw/zinc/14/05/04/222140504.db2.gz	ZHNSHWNPSYIQJY-FNORWQNLSA-N	0	2	350.403	3.372	1	30		FGEFLN
Cc1c(C)n(CCc2ccc(Cl)cc2)c2c1S(=O)(=O)C(C#N)=NN2	ZINC000001653545	210363577	/nfs/dbraw/zinc/36/35/77/210363577.db2.gz	CZITXXIWQYEWME-UHFFFAOYSA-N	0	2	362.842	3.037	1	30		FGEFLN
O=C(/C=C/c1ccc2c(c1)Cc1sc(Nc3cccnc3)nc1-2)NO	ZINC000096923425	222140508	/nfs/dbraw/zinc/14/05/08/222140508.db2.gz	KJRFBPIEQZTTCN-GQCTYLIASA-N	0	2	350.403	3.372	1	30		FGEFLN
COc1cc(OC)c(C(=O)/C=C/c2cccnc2)c(O)c1Br	ZINC000103222193	222326918	/nfs/dbraw/zinc/32/69/18/222326918.db2.gz	JJPCCNKRECLVFV-AATRIKPKSA-N	0	2	364.195	3.463	1	30		FGEFLN
O=C(Nc1ccc(Br)cc1)C1=C(O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	ZINC000101270728	222266430	/nfs/dbraw/zinc/26/64/30/222266430.db2.gz	HRHOINWQZBZCDH-GAQJKIJGSA-N	0	2	360.207	3.221	1	30		FGEFLN
CCCCCCCCCCCCCOc1c(O)oc([C@@H](O)CO)c1O	ZINC000101329327	222270139	/nfs/dbraw/zinc/27/01/39/222270139.db2.gz	ZSFJFGMEIFARPT-DOTOQJQBSA-N	0	2	358.475	3.362	1	30		FGEFLN