smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OCC1=C[C@@H]2CC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32	ZINC000004270034	557533994	/nfs/dbraw/zinc/53/39/94/557533994.db2.gz	WUDFNEXILUGTAV-VNSLNOFVSA-N	0	0	412.391	-1.632	40	30		HAEBRN
N/C(=N/O)c1c(Br)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	ZINC000004824931	557603573	/nfs/dbraw/zinc/60/35/73/557603573.db2.gz	QAEPUIBGLXEWGC-YWARTMNGSA-N	0	0	403.193	-1.518	40	30		HAEBRN
N/C(=N/O)c1c(Br)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	ZINC000004824932	557603501	/nfs/dbraw/zinc/60/35/01/557603501.db2.gz	QAEPUIBGLXEWGC-MQQQIBFLSA-N	0	0	403.193	-1.518	40	30		HAEBRN
Cn1c2[nH]c(C=NN=Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)nc2c(=O)n(C)c1=O	ZINC000008616386	557796926	/nfs/dbraw/zinc/79/69/26/557796926.db2.gz	XZODQZHAZYFCBQ-OYUQAUEZSA-N	0	0	412.370	-2.313	40	30		HAEBRN
Cn1c2[nH]c(C=NN=Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)nc2c(=O)n(C)c1=O	ZINC000008616387	527090139	/nfs/dbraw/zinc/09/01/39/527090139.db2.gz	XZODQZHAZYFCBQ-BBAUMNPJSA-N	0	0	412.370	-2.313	40	30		HAEBRN
NC(=S)N/N=C\[C@H](CO)O[C@H](/C=N\NC(N)=S)n1cnc2c1ncnc2N	ZINC000008653195	557798637	/nfs/dbraw/zinc/79/86/37/557798637.db2.gz	QAUMNRBFIINKFS-UUONIGDFSA-N	0	0	411.477	-2.077	40	30		HAEBRN
NC(=S)N/N=C/[C@H](CO)O[C@H](/C=N\NC(N)=S)n1cnc2c1ncnc2N	ZINC000008653197	557798669	/nfs/dbraw/zinc/79/86/69/557798669.db2.gz	QAUMNRBFIINKFS-FDEUWXQCSA-N	0	0	411.477	-2.077	40	30		HAEBRN
O=c1[nH]cnc2c1nc(NN=Cc1ccc(O)cc1O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000016385594	558789249	/nfs/dbraw/zinc/78/92/49/558789249.db2.gz	CIUUMJYYBRFAAP-HBZUNWIUSA-N	0	0	418.366	-1.412	40	30		HAEBRN
O=c1[nH]cnc2c1nc(N=NCc1ccc(O)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000016400391	558789963	/nfs/dbraw/zinc/78/99/63/558789963.db2.gz	LEZHQGBYWADURM-SNEZMTJISA-N	0	0	402.367	-1.117	40	30		HAEBRN
O=c1[nH]cnc2c1nc(N=NCc1ccccc1O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000016449061	558791975	/nfs/dbraw/zinc/79/19/75/558791975.db2.gz	HGURKZSDYMOJJD-SNEZMTJISA-N	0	0	402.367	-1.117	40	30		HAEBRN
Cn1c2[nH]c(C=NN=Cc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)nc2c(=O)n(C)c1=O	ZINC000017004755	527089677	/nfs/dbraw/zinc/08/96/77/527089677.db2.gz	XZODQZHAZYFCBQ-QJZPKIEXSA-N	0	0	412.370	-2.313	40	30		HAEBRN
C/C(C/C(C)=N\c1c(N)c(=O)n(C)c(=O)n1C)=N\c1c(N)c(=O)n(C)c(=O)n1C	ZINC000017323121	558827019	/nfs/dbraw/zinc/82/70/19/558827019.db2.gz	AFOSBFBDXAVHMB-FCRXMADNSA-N	0	0	404.431	-1.079	40	30		HAEBRN
C/C(C/C(C)=N/c1c(N)c(=O)n(C)c(=O)n1C)=N\c1c(N)c(=O)n(C)c(=O)n1C	ZINC000018211306	518474189	/nfs/dbraw/zinc/47/41/89/518474189.db2.gz	AFOSBFBDXAVHMB-IYJUZEOBSA-N	0	0	404.431	-1.079	40	30		HAEBRN
C=C(C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	ZINC000031156380	518585465	/nfs/dbraw/zinc/58/54/65/518585465.db2.gz	MYWZGSROPRXVPM-KTKXTBTHSA-N	0	0	424.402	-1.497	40	30	biogenic,in-vitro	HAEBRN
C=C(C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	ZINC000031156385	518584682	/nfs/dbraw/zinc/58/46/82/518584682.db2.gz	MYWZGSROPRXVPM-SRDWXTFVSA-N	0	0	424.402	-1.497	40	30	biogenic,in-vitro	HAEBRN
COC(=O)C1=C(C)N([NH+]=C(N)[O-])C2(N)N([NH+]=C(N)[O-])C(C)=C(C(=O)OC)C12C#N	ZINC000031829837	558752648	/nfs/dbraw/zinc/75/26/48/558752648.db2.gz	UYGNGKWQVGWPGR-UHFFFAOYSA-N	0	0	408.375	-2.199	40	30		HAEBRN
NC(=S)N/N=C/[C@H](CO)O[C@H](/C=N/NC(N)=S)n1cnc2c1ncnc2N	ZINC000038802170	527109881	/nfs/dbraw/zinc/10/98/81/527109881.db2.gz	QAUMNRBFIINKFS-YSSYBZNYSA-N	0	0	411.477	-2.077	40	30		HAEBRN
O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)ON1C(=O)CCC1=O	ZINC000071788221	558911924	/nfs/dbraw/zinc/91/19/24/558911924.db2.gz	ZTQMBDPUZSXHOK-UHFFFAOYSA-N	0	0	420.378	-1.248	40	30		HAEBRN
O=C(CCOS(=O)(=O)CF)N1CCN(C(=O)CCOS(=O)(=O)CF)CC1	ZINC000073316669	558986040	/nfs/dbraw/zinc/98/60/40/558986040.db2.gz	XITXSPZWYQXBFG-UHFFFAOYSA-N	0	0	422.428	-1.016	40	30		HAEBRN
C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)C(=O)C(=O)CC(C)[C@H]2C[C@H]3OC(=O)[C@H](O)[C@@]14O	ZINC000095914213	518666504	/nfs/dbraw/zinc/66/65/04/518666504.db2.gz	UCUWZJWAQQRCOR-UMLBZTBSSA-N	0	0	408.403	-1.828	40	30	biogenic,in-vitro	HAEBRN
C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)C(=O)C(=O)CC(C)[C@@H]2C[C@H]3OC(=O)[C@H](O)[C@@]14O	ZINC000096031590	1072047079	/nfs/dbraw/zinc/04/70/79/1072047079.db2.gz	UCUWZJWAQQRCOR-OKNZMGBLSA-N	0	0	408.403	-1.828	40	30	biogenic,in-vitro	HAEBRN
C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@@H]2[C@@]2(C)C(=O)C(=O)CC(C)[C@H]2C[C@H]3OC(=O)[C@H](O)[C@@]14O	ZINC000096730875	1072049419	/nfs/dbraw/zinc/04/94/19/1072049419.db2.gz	UCUWZJWAQQRCOR-OGFRAYMHSA-N	0	0	408.403	-1.828	40	30	biogenic,in-vitro	HAEBRN
C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@@H]2[C@@]2(C)C(=O)C(=O)CC(C)[C@@H]2C[C@H]3OC(=O)[C@H](O)[C@@]14O	ZINC000096730876	518666751	/nfs/dbraw/zinc/66/67/51/518666751.db2.gz	UCUWZJWAQQRCOR-STHQKNPASA-N	0	0	408.403	-1.828	40	30	biogenic,in-vitro	HAEBRN
CS(=O)(=O)OC[C@@H](O)[C@@H](OS(C)(=O)=O)[C@@H](O)[C@@H](O)COS(C)(=O)=O	ZINC000104189392	525230968	/nfs/dbraw/zinc/23/09/68/525230968.db2.gz	MFOPJKLJJZBKRD-UYXSQOIJSA-N	0	0	416.448	-3.634	40	30		HAEBRN
NC(=S)N/N=C/[C@@H](O[C@H](/C=N\NC(N)=S)CO)n1cnc2c1ncnc2N	ZINC000104286681	559159881	/nfs/dbraw/zinc/15/98/81/559159881.db2.gz	QAUMNRBFIINKFS-ILYFRJAOSA-N	0	0	411.477	-2.077	40	30		HAEBRN
C/C(C/C(C)=N\c1c(N)c(=O)n(C)c(=O)n1C)=N/c1c(N)c(=O)n(C)c(=O)n1C	ZINC000104386446	559160856	/nfs/dbraw/zinc/16/08/56/559160856.db2.gz	AFOSBFBDXAVHMB-OJRZISNZSA-N	0	0	404.431	-1.079	40	30		HAEBRN
CC1(C)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)C2=C1SCC(=O)N2	ZINC000230817047	560042104	/nfs/dbraw/zinc/04/21/04/560042104.db2.gz	AKXSDYSKIVXIJA-JCILWVLBSA-N	0	0	401.437	-1.587	40	30	biogenic,in-vitro	HAEBRN