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)N(O)CC[C@H](c1ccc(Cl)c(Cl)c1)[P@](=O)([O-])O	ZINC000028572274	202172687	/nfs/dbraw/zinc/17/26/87/202172687.db2.gz	ABGCTQYLJZGMBM-LLVKDONJSA-N	-1	1	342.115	2.840	1	30	in-vitro	EFEFMM
CC([O-])=C1C(=O)[C@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O	ZINC000101900416	201058923	/nfs/dbraw/zinc/05/89/23/201058923.db2.gz	CNZIQHGDUXRUJS-ZMXWJRQNSA-N	-1	1	336.391	2.828	1	30		EFEFMM
CCOc1ccc(C([O-])=C2C(=O)[C@H](C)N(C(C)C)C2=O)c(OC)c1	ZINC000103272093	204070957	/nfs/dbraw/zinc/07/09/57/204070957.db2.gz	QPFFACFLWIRSHS-ISOHDOPZSA-N	-1	1	333.384	2.571	1	30		EFEFMM
CC(Nc1cc(Cl)c([N+](=O)[O-])cc1[O-])=C1C(=O)C=C(C)OC1=O	ZINC000103171304	204064892	/nfs/dbraw/zinc/06/48/92/204064892.db2.gz	OHFRTOSEYCNUHT-NTUHNPAUSA-N	-1	1	338.703	2.669	1	30		EFEFMM
COc1ccccc1C(=O)Nc1cccc(C(=O)C=C(O)C(=O)[O-])c1	ZINC000102226593	219191575	/nfs/dbraw/zinc/19/15/75/219191575.db2.gz	SCQPCRGVTDXYLZ-GDNBJRDFSA-N	-1	1	341.319	2.657	1	30		EFEFMM
C[C@@H]1CCC(N=Nc2cccc(Cl)c2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466490	213309430	/nfs/dbraw/zinc/30/94/30/213309430.db2.gz	CBYYHIDLDPBPKE-FLNUOUKISA-N	-1	1	346.774	2.766	1	30		EFEFMM
COc1cccc(C(=O)Nc2cccc(C(=O)C=C(O)C(=O)[O-])c2)c1	ZINC000101604806	219143989	/nfs/dbraw/zinc/14/39/89/219143989.db2.gz	QGQQGLUUHQPORW-YBEGLDIGSA-N	-1	1	341.319	2.657	1	30		EFEFMM
C[C@@H]1CCC(N=Nc2ccc(Cl)cc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466384	213309024	/nfs/dbraw/zinc/30/90/24/213309024.db2.gz	SJSZYLDJHZWMGY-FLNUOUKISA-N	-1	1	346.774	2.766	1	30		EFEFMM
CC([O-])=C1C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@@H]3C(C)(C)N2C1=O	ZINC000100030662	219088851	/nfs/dbraw/zinc/08/88/51/219088851.db2.gz	CNZIQHGDUXRUJS-BTUQGEJTSA-N	-1	1	336.391	2.828	1	30		EFEFMM
Cc1cccc(C(=O)Nc2cccc(C(=O)C=C(O)C(=O)[O-])c2)c1O	ZINC000101617651	219147132	/nfs/dbraw/zinc/14/71/32/219147132.db2.gz	GDPVBHMSYSVKFB-DHDCSXOGSA-N	-1	1	341.319	2.662	1	30		EFEFMM
COc1cc(OC(C)C)ccc1C([O-])=C1C(=O)[C@H](C)N(C(C)C)C1=O	ZINC000103272101	219279976	/nfs/dbraw/zinc/27/99/76/219279976.db2.gz	NBYQCUQWDFLLGU-UFZXGQNFSA-N	-1	1	347.411	2.960	1	30		EFEFMM
O=C1c2c(cc([O-])cc2O)O/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000072108792	216010111	/nfs/dbraw/zinc/01/01/11/216010111.db2.gz	VNBJYWGNIKYAQB-MFOYZWKCSA-N	-1	1	339.347	2.551	1	30		EFEFMM
COc1cccc2c(OC(C)C)c(C(=O)Nc3nn[n-]n3)sc21	ZINC000028086055	202164071	/nfs/dbraw/zinc/16/40/71/202164071.db2.gz	UKMFLTBVTPYDJE-UHFFFAOYSA-N	-1	1	333.373	2.847	1	30		EFEFMM
C[C@H]1CCC(N=Nc2cccc(Cl)c2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466492	202441020	/nfs/dbraw/zinc/44/10/20/202441020.db2.gz	CBYYHIDLDPBPKE-PQHMUEMWSA-N	-1	1	346.774	2.766	1	30		EFEFMM
C=CCOc1ccc(C([O-])=C2C(=O)[C@H](C)N(C(C)C)C2=O)c(OC)c1	ZINC000103272097	219280259	/nfs/dbraw/zinc/28/02/59/219280259.db2.gz	YWUGKNLDPFEOGY-UFZXGQNFSA-N	-1	1	345.395	2.737	1	30		EFEFMM
CN(O)C(=O)CC[C@H](c1ccc(Cl)c(Cl)c1)[P@](=O)([O-])O	ZINC000072118579	216013031	/nfs/dbraw/zinc/01/30/31/216013031.db2.gz	UKTXVNQTYFYHAO-SNVBAGLBSA-N	-1	1	342.115	2.840	1	30		EFEFMM
CCOc1ccc(C([O-])=C2C(=O)CN(C(C)C)C2=O)c(OCC)c1	ZINC000103154555	219263984	/nfs/dbraw/zinc/26/39/84/219263984.db2.gz	NABDPXINKGPAJO-MSUUIHNZSA-N	-1	1	333.384	2.573	1	30		EFEFMM
CC1(C)Oc2ccc(C#N)cc2[C@@H](Oc2ccc(=S)[n-]n2)[C@@H]1O	ZINC000026664278	212529923	/nfs/dbraw/zinc/52/99/23/212529923.db2.gz	XRNXWGWTRIUEHI-CABCVRRESA-N	-1	1	329.381	2.663	1	30		EFEFMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc3c(c2)C(=O)CC3)cc1	ZINC000026468424	202144451	/nfs/dbraw/zinc/14/44/51/202144451.db2.gz	GGLLPQPXZZLRCI-UHFFFAOYSA-N	-1	1	344.392	2.839	1	30		EFEFMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc3c(c2)C(=O)CC3)cc1	ZINC000026468424	202144454	/nfs/dbraw/zinc/14/44/54/202144454.db2.gz	GGLLPQPXZZLRCI-UHFFFAOYSA-N	-1	1	344.392	2.839	1	30		EFEFMM
O=C1c2nc[n-]c2C(=O)C(Br)=C1Nc1ccc(F)cc1	ZINC000027107575	202152874	/nfs/dbraw/zinc/15/28/74/202152874.db2.gz	AIYZXWLXKKDKKU-UHFFFAOYSA-N	-1	1	336.120	2.646	1	30		EFEFMM
COc1ccc2c(c1)sc(C(=O)Nc1nn[n-]n1)c2OC(C)C	ZINC000028093704	202165748	/nfs/dbraw/zinc/16/57/48/202165748.db2.gz	BENJGMCFKJEIAV-UHFFFAOYSA-N	-1	1	333.373	2.847	1	30		EFEFMM
N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[N-]S(N)(=O)=O	ZINC000028711953	202175512	/nfs/dbraw/zinc/17/55/12/202175512.db2.gz	YKFSOOWWBYMDQE-UHFFFAOYSA-N	-1	1	341.314	2.859	1	30		EFEFMM
O=C1C=C(Nc2ccc(F)cc2)C(=O)c2nc(-c3ccccn3)[n-]c21	ZINC000100025045	219088965	/nfs/dbraw/zinc/08/89/65/219088965.db2.gz	CURFIOPSBYETEU-UHFFFAOYSA-N	-1	1	334.310	2.986	1	30		EFEFMM
COc1ccc(NC2=CC(=O)c3[n-]c(-c4ccccn4)nc3C2=O)cc1	ZINC000003588205	210058587	/nfs/dbraw/zinc/05/85/87/210058587.db2.gz	GOKMROPXOYRDOI-UHFFFAOYSA-N	-1	1	346.346	2.855	1	30		EFEFMM
COc1cc(OC(C)C)ccc1C([O-])=C1C(=O)[C@@H](C)N(C(C)C)C1=O	ZINC000103272099	219280200	/nfs/dbraw/zinc/28/02/00/219280200.db2.gz	NBYQCUQWDFLLGU-MHMQGTJDSA-N	-1	1	347.411	2.960	1	30		EFEFMM
O=C(C=Cc1ccc(O)cc1)C[C@@H](O)CC(=O)c1ccc([O-])cc1	ZINC000059586041	290984747	/nfs/dbraw/zinc/98/47/47/290984747.db2.gz	NEZCLOILSKYYSV-BYVAAYKLSA-N	-1	1	326.348	2.704	1	30	biogenic,in-vitro	EFEFMM
CN(O)C(=O)CC[C@@H](c1ccc(Cl)c(Cl)c1)[P@](=O)([O-])O	ZINC000072118578	216012202	/nfs/dbraw/zinc/01/22/02/216012202.db2.gz	UKTXVNQTYFYHAO-JTQLQIEISA-N	-1	1	342.115	2.840	1	30		EFEFMM
COc1c2c(c(O)c3c1C([O-])=C(OC)C(=O)C3=O)[C@H](C)OC(C)=C2	ZINC000014727462	560225269	/nfs/dbraw/zinc/22/52/69/560225269.db2.gz	JSXBFNZSZJSIMF-ZETCQYMHSA-N	-1	1	332.308	2.648	1	30	biogenic,in-vitro	EFEFMM
COc1ccc(/C=N/n2cnc3c4ccccc4nc-3c2[O-])cc1CO	ZINC000101588875	219143047	/nfs/dbraw/zinc/14/30/47/219143047.db2.gz	NOAAWBWNSQTVAN-ZVBGSRNCSA-N	-1	1	348.362	2.625	1	30		EFEFMM
COc1ccc(C(=O)Nc2cccc(C(=O)C=C(O)C(=O)[O-])c2)cc1	ZINC000101613261	219146170	/nfs/dbraw/zinc/14/61/70/219146170.db2.gz	VWMNJOXGUKMMSW-YBEGLDIGSA-N	-1	1	341.319	2.657	1	30		EFEFMM
C[C@H]1CCC(N=Nc2ccc(Cl)cc2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466386	213308704	/nfs/dbraw/zinc/30/87/04/213308704.db2.gz	SJSZYLDJHZWMGY-PQHMUEMWSA-N	-1	1	346.774	2.766	1	30		EFEFMM
CCCC(=O)CCC1=C([O-])c2c(O)c(OC)c(OC)cc2C(=O)C1=O	ZINC000040392697	213297137	/nfs/dbraw/zinc/29/71/37/213297137.db2.gz	LQUCNENDDDQMPM-UHFFFAOYSA-N	-1	1	348.351	2.750	1	30		EFEFMM
COc1ccc(/C=C2\Oc3cc([O-])cc(O)c3C2=O)c(OC)c1OC	ZINC000072106543	216009256	/nfs/dbraw/zinc/00/92/56/216009256.db2.gz	UNPBOAAVAXALHN-NSIKDUERSA-N	-1	1	344.319	2.740	1	30		EFEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(C(N)=O)cc2C2=CCCCC2)n1	ZINC000103290035	219284863	/nfs/dbraw/zinc/28/48/63/219284863.db2.gz	VOAYWJAHIYVVPX-UHFFFAOYSA-N	-1	1	335.367	2.590	1	30		EFEFMM
CC([O-])=C1C(=O)[C@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O	ZINC000012405147	211369294	/nfs/dbraw/zinc/36/92/94/211369294.db2.gz	SZINUGQCTHLQAZ-OAUYIBNBSA-N	-1	1	336.391	2.828	1	30		EFEFMM
COc1cc([O-])c(C(=O)/C=C/c2ccc(O)c(O)c2)c(OC)c1OC	ZINC000015274476	201058212	/nfs/dbraw/zinc/05/82/12/201058212.db2.gz	ZORDSTUSHFTNGS-FNORWQNLSA-N	-1	1	346.335	2.725	1	30		EFEFMM
C=CCOc1ccc(C([O-])=C2C(=O)[C@@H](C)N(C(C)C)C2=O)c(OC)c1	ZINC000103272096	204069984	/nfs/dbraw/zinc/06/99/84/204069984.db2.gz	YWUGKNLDPFEOGY-MHMQGTJDSA-N	-1	1	345.395	2.737	1	30		EFEFMM
CCOc1ccc(C([O-])=C2C(=O)[C@@H](C)N(C(C)C)C2=O)c(OC)c1	ZINC000103272094	204070490	/nfs/dbraw/zinc/07/04/90/204070490.db2.gz	QPFFACFLWIRSHS-PTGFTAGUSA-N	-1	1	333.384	2.571	1	30		EFEFMM
CC(C)C1=C([O-])C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O	ZINC000086004361	560066089	/nfs/dbraw/zinc/06/60/89/560066089.db2.gz	MDFVKTVDWWYLGE-YBTHPKLGSA-N	-1	1	344.407	2.887	1	30	biogenic,in-vitro	EFEFMM
O=C(CCCCCSc1nc(Cc2ccccc2)cc(=O)[n-]1)NO	ZINC000028528441	581101963	/nfs/dbraw/zinc/10/19/63/581101963.db2.gz	YDVCEIGTXDMBFG-UHFFFAOYSA-N	-1	1	347.440	2.519	1	30		EFEFMM
O=C(CCCCCSc1nc(-c2ccccc2)cc(=O)[n-]1)NO	ZINC000028527255	581102015	/nfs/dbraw/zinc/10/20/15/581102015.db2.gz	YOKJODNAAKQIBZ-UHFFFAOYSA-N	-1	1	333.413	2.595	1	30		EFEFMM