smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026182584	563029602	/nfs/dbraw/zinc/02/96/02/563029602.db2.gz	GXNFHEXBASILBA-OALUTQOASA-N	-2	0	425.462	3.846	1	0		IHAFRL
O=C([O-])[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H]1CCCN1C(=O)OCc1ccccc1	ZINC000029051517	563073122	/nfs/dbraw/zinc/07/31/22/563073122.db2.gz	KGHGKJWLKWMFHZ-UXHICEINSA-N	-2	0	431.425	3.959	1	0		IHAFRL
O=[P@]([O-])(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)Oc1ccccc1	ZINC000029326156	563077996	/nfs/dbraw/zinc/07/79/96/563077996.db2.gz	PFPVFUBQMWFXDN-NRFANRHFSA-N	-2	0	435.424	3.962	1	0		IHAFRL
COc1ccc2nc(/C=C/c3cccc(C(=O)[O-])c3)n(-c3ccc(C(=O)[O-])cc3)c(=O)c2c1	ZINC000058569321	563144681	/nfs/dbraw/zinc/14/46/81/563144681.db2.gz	YBIUUOWRMKMPHR-LFYBBSHMSA-N	-2	0	442.427	3.961	1	0		IHAFRL
CCO[C@H](Cc1ccc(O/C=C\Oc2ccc(C[C@H](OCC)C(=O)[O-])cc2)cc1)C(=O)[O-]	ZINC000028127631	563051279	/nfs/dbraw/zinc/05/12/79/563051279.db2.gz	GWEHUZRNACUMAA-KJJQFQSISA-N	-2	0	444.480	3.680	1	0		IHAFRL
Nc1cccc2c1nc(-c1ccc(P(=O)([O-])[O-])o1)n2Cc1ccc(C(F)(F)F)cc1	ZINC000045284970	563128112	/nfs/dbraw/zinc/12/81/12/563128112.db2.gz	DMTKKVPOZJHNII-UHFFFAOYSA-N	-2	0	437.314	3.749	1	0		IHAFRL
COc1ccnc(C(=O)Nc2c(F)cccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000013587611	562995794	/nfs/dbraw/zinc/99/57/94/562995794.db2.gz	STILDWUGEWYVOG-UHFFFAOYSA-N	-2	0	426.356	3.670	1	0		IHAFRL
CCCOc1cccc(-c2ccc(CCC[C@H]([P@@](=O)([O-])O)S(=O)(=O)[O-])cc2)c1	ZINC000040866521	563108810	/nfs/dbraw/zinc/10/88/10/563108810.db2.gz	LCVHMLWCRKMTRB-LJQANCHMSA-N	-2	0	428.443	3.857	1	0		IHAFRL
O=C([O-])CCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21	ZINC000012358386	562981698	/nfs/dbraw/zinc/98/16/98/562981698.db2.gz	JXXWJYQMPBDFHC-OAQYLSRUSA-N	-2	0	441.480	3.522	1	0		IHAFRL
COc1cc(CCC(=O)[O-])cc(OC)c1Oc1c(OC)cc(CCC(=O)[O-])cc1OC	ZINC000014620420	563014623	/nfs/dbraw/zinc/01/46/23/563014623.db2.gz	CEEYMFHTQRYQIS-UHFFFAOYSA-N	-2	0	434.441	3.548	1	0		IHAFRL
O=C([O-])c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(C[C@H]3CCCO3)c(=O)n2[n-]1	ZINC000034820319	563088038	/nfs/dbraw/zinc/08/80/38/563088038.db2.gz	CEQJKMUFIVQIBS-LJQANCHMSA-N	-2	0	445.475	3.688	1	0		IHAFRL
CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)[O-])C(=O)[O-]	ZINC000013883987	563013698	/nfs/dbraw/zinc/01/36/98/563013698.db2.gz	ANALPZWPDWXQLC-KFKOSKEDSA-N	-2	0	448.560	3.589	1	0		IHAFRL
CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)[O-])C(=O)[O-]	ZINC000013883989	563013742	/nfs/dbraw/zinc/01/37/42/563013742.db2.gz	ANALPZWPDWXQLC-DSIHHBRCSA-N	-2	0	448.560	3.589	1	0		IHAFRL
Cc1c(Br)c(=O)oc2c(Br)c([O-])c(Br)c([O-])c12	ZINC000029132218	563075753	/nfs/dbraw/zinc/07/57/53/563075753.db2.gz	DYRRRNRSUAXQNS-UHFFFAOYSA-N	-2	0	428.858	3.800	1	0		IHAFRL
COc1ccc(-c2c(C(=O)[O-])[nH]c(C(=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC	ZINC000013587803	562995806	/nfs/dbraw/zinc/99/58/06/562995806.db2.gz	MVQHJMRXUZQUSA-UHFFFAOYSA-N	-2	0	427.409	3.780	1	0		IHAFRL
CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)[O-])C(=O)[O-]	ZINC000013883988	563013782	/nfs/dbraw/zinc/01/37/82/563013782.db2.gz	ANALPZWPDWXQLC-GDCPXKFVSA-N	-2	0	448.560	3.589	1	0		IHAFRL
O=C([O-])Cc1ccc(NC(=O)/C=C2\C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040718634	563106050	/nfs/dbraw/zinc/10/60/50/563106050.db2.gz	UHOUISJDNQJLBA-AYAUWGRQSA-N	-2	0	435.263	3.911	1	0		IHAFRL
CCc1c2ccccc2n(-c2ccc(F)cc2)c1CC[P@](=O)([O-])C[C@@H](O)CC(=O)[O-]	ZINC000026743437	563036358	/nfs/dbraw/zinc/03/63/58/563036358.db2.gz	RHRRFKVESPBEFC-KRWDZBQOSA-N	-2	0	433.416	3.981	1	0		IHAFRL
O=C([O-])CN1c2ccccc2CC[C@H](O[P@](=O)([O-])CCCCc2ccccc2)C1=O	ZINC000013737324	563002520	/nfs/dbraw/zinc/00/25/20/563002520.db2.gz	ZAGLCORVVOGVQY-FQEVSTJZSA-N	-2	0	431.425	3.644	1	0		IHAFRL
Nc1cc(CNC(=O)c2ccc(OP(=O)([O-])[O-])cc2)ccc1OCC1CCCCC1	ZINC000026180448	563029628	/nfs/dbraw/zinc/02/96/28/563029628.db2.gz	ZNEIEWMODVHUPY-UHFFFAOYSA-N	-2	0	434.429	3.629	1	0		IHAFRL
O=C(C=Cc1ccc(O)cc1)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)cc1	ZINC000059586720	291374579	/nfs/dbraw/zinc/37/45/79/291374579.db2.gz	OBSPVONVWCVMCK-KMKOMSMNSA-N	-3	0	432.384	3.901	1	0	biogenic,in-vitro	IHAFRL
Cc1cc2nc3nc(N)nc([N-]S(=O)(=O)c4cc(C)c(Cl)cc4[S-])n3c2cc1C	ZINC000001650673	562923812	/nfs/dbraw/zinc/92/38/12/562923812.db2.gz	CHHJWCWSVLKSCC-UHFFFAOYSA-N	-2	0	448.961	3.528	1	0		IHAFRL
COc1c2ccoc2c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c([O-])c1C(=O)[O-]	ZINC000064553363	563155856	/nfs/dbraw/zinc/15/58/56/563155856.db2.gz	DTNLKCKCWGLGOH-UHFFFAOYSA-N	-2	0	432.237	3.953	1	0		IHAFRL
O=c1oc2cc(O)ccc2c([O-])c1C(c1ccccc1)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000005822729	562944857	/nfs/dbraw/zinc/94/48/57/562944857.db2.gz	VVWWDJLASYYMNG-UHFFFAOYSA-N	-2	0	444.395	3.902	1	0		IHAFRL
O=C([O-])c1cc(Cc2cc(Br)c(O)c(C(=O)[O-])c2)cc(Br)c1O	ZINC000027082264	563039108	/nfs/dbraw/zinc/03/91/08/563039108.db2.gz	RWTKKSFJJZHCIL-UHFFFAOYSA-N	-2	0	446.047	3.610	1	0		IHAFRL
O=C([O-])Cc1cn(-c2cncc(-n3cc(CC(=O)[O-])c4ccccc43)n2)c2ccccc12	ZINC000043104983	563118618	/nfs/dbraw/zinc/11/86/18/563118618.db2.gz	WWRNKHNDRJCAMG-UHFFFAOYSA-N	-2	0	426.432	3.619	1	0		IHAFRL
COC(=O)Nc1ccc(-c2sc(C(=O)[O-])c(OCC(=O)[O-])c2Br)cc1	ZINC000014955152	563015813	/nfs/dbraw/zinc/01/58/13/563015813.db2.gz	MFECYDRNZFGTFU-UHFFFAOYSA-N	-2	0	430.232	3.518	1	0		IHAFRL
O=C([O-])Cc1ccc(NC(=O)/C=C2\C[C@@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040718636	563106052	/nfs/dbraw/zinc/10/60/52/563106052.db2.gz	UHOUISJDNQJLBA-BPLPYTOXSA-N	-2	0	435.263	3.911	1	0		IHAFRL
O=C([O-])[C@@H]1C[C@H](Cc2ccccc2)CN1C(=O)C[P@](=O)([O-])CCCCc1ccccc1	ZINC000028108435	563050834	/nfs/dbraw/zinc/05/08/34/563050834.db2.gz	UFJXCMJPIHCCOV-VXKWHMMOSA-N	-2	0	443.480	3.824	1	0		IHAFRL
O=[P@@]([O-])(O)[C@@H](CCCc1cccc(Oc2ccc3occc3c2)c1)S(=O)(=O)[O-]	ZINC000040421876	563102318	/nfs/dbraw/zinc/10/23/18/563102318.db2.gz	ILJWMHLLBUNHIQ-GOSISDBHSA-N	-2	0	426.383	3.939	1	0	in-vitro	IHAFRL
CCCOc1cccc(-c2ccc(CCC[C@@H]([P@@](=O)([O-])O)S(=O)(=O)[O-])cc2)c1	ZINC000040866519	563108796	/nfs/dbraw/zinc/10/87/96/563108796.db2.gz	LCVHMLWCRKMTRB-IBGZPJMESA-N	-2	0	428.443	3.857	1	0		IHAFRL
COc1cccc(Nc2n[nH]c([N-]S(=O)(=O)c3cc(C)c(Cl)cc3[S-])n2)c1	ZINC000001642333	562923534	/nfs/dbraw/zinc/92/35/34/562923534.db2.gz	YYQWMYDERBYAMK-UHFFFAOYSA-N	-2	0	425.923	3.608	1	0		IHAFRL
CC(C)C[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026186090	563029804	/nfs/dbraw/zinc/02/98/04/563029804.db2.gz	JJYBOQCWUCCRIM-OALUTQOASA-N	-2	0	425.462	3.702	1	0		IHAFRL
Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000040892109	563110022	/nfs/dbraw/zinc/11/00/22/563110022.db2.gz	XLRNOBHCDGERDN-IBGZPJMESA-N	-2	0	449.463	3.758	1	0		IHAFRL
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)[O-])cc3)cc2C(=O)[O-])cc1	ZINC000095921137	563195031	/nfs/dbraw/zinc/19/50/31/563195031.db2.gz	ZZUNAJGLWXHEFZ-UHFFFAOYSA-N	-2	0	427.434	3.985	1	0	in-vitro	IHAFRL
O=C([O-])CCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21	ZINC000012358387	562981691	/nfs/dbraw/zinc/98/16/91/562981691.db2.gz	JXXWJYQMPBDFHC-NRFANRHFSA-N	-2	0	441.480	3.522	1	0		IHAFRL
O=C(N[C@@H](COP(=O)([O-])[O-])Cc1cccc(F)c1F)c1cc2ccccc2s1	ZINC000045314889	563129775	/nfs/dbraw/zinc/12/97/75/563129775.db2.gz	QUVKITIIOLICNV-CYBMUJFWSA-N	-2	0	427.365	3.630	1	0		IHAFRL
O=C([O-])C1N=C(c2sccc2NC(=O)OCc2cccc3ccccc32)[N-]C(=O)C1=O	ZINC000003583364	562936571	/nfs/dbraw/zinc/93/65/71/562936571.db2.gz	NTOYGPPDORIXJW-UHFFFAOYSA-N	-2	0	437.433	3.804	1	0		IHAFRL
CCCCc1ncc(/C=C2/C(=O)[N-]C(=O)N2CCC(C)C)n1Cc1ccc(C(=O)[O-])cc1	ZINC000036222418	563092220	/nfs/dbraw/zinc/09/22/20/563092220.db2.gz	XDEYLPDDRSQZQP-MOSHPQCFSA-N	-2	0	438.528	3.911	1	0		IHAFRL
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000026568279	563033164	/nfs/dbraw/zinc/03/31/64/563033164.db2.gz	GSAQRKUOGUGHHL-VSKRKVRLSA-N	-2	0	425.525	3.794	1	0		IHAFRL
C[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2ccc(OP(=O)([O-])[O-])cc2)C1=O	ZINC000028820325	563065218	/nfs/dbraw/zinc/06/52/18/563065218.db2.gz	MGGVYTXKFBGFBC-INIZCTEOSA-N	-2	0	436.404	3.931	1	0		IHAFRL
CC[C@H](C)C(=O)c1c(O)c(C[C@@H](O)C(C)(C)O)c2oc(=O)cc(-c3ccccc3)c2c1O	ZINC000014585950	291367445	/nfs/dbraw/zinc/36/74/45/291367445.db2.gz	DFBLQWGFTJWAOT-SUMWQHHRSA-N	-2	0	440.492	3.774	1	0	biogenic,in-vitro	IHAFRL
O=C([C@@H](OP(=O)([O-])[O-])C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1	ZINC000006718135	562948243	/nfs/dbraw/zinc/94/82/43/562948243.db2.gz	DAHFZNAMHMVDJU-PMACEKPBSA-N	-2	0	435.363	3.820	1	0		IHAFRL
O=C([O-])C[C@@](O)(C[C@H](O)CCCCCn1ccc2cc(Cl)cc(Cl)c21)C(=O)[O-]	ZINC000013781087	563006527	/nfs/dbraw/zinc/00/65/27/563006527.db2.gz	ZUKDOYCDJGCYGX-KUHUBIRLSA-N	-2	0	432.300	3.550	1	0		IHAFRL
Cc1c(CCCC(=O)[O-])c2cc(S(=O)(=O)[O-])ccc2n1C(=O)c1ccc(Cl)cc1	ZINC000028125495	563051197	/nfs/dbraw/zinc/05/11/97/563051197.db2.gz	RDWMFSJPJLTNPK-UHFFFAOYSA-N	-2	0	435.885	3.946	1	0		IHAFRL
O=C([O-])C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(Oc2ccccc2)cc1	ZINC000095554850	563181174	/nfs/dbraw/zinc/18/11/74/563181174.db2.gz	WCERXIPSPJLCLF-NRFANRHFSA-N	-2	0	443.459	3.904	1	0		IHAFRL
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000026568275	563033163	/nfs/dbraw/zinc/03/31/63/563033163.db2.gz	GSAQRKUOGUGHHL-YPAWHYETSA-N	-2	0	425.525	3.794	1	0		IHAFRL
O=C([O-])CN1c2ccccc2CC[C@@H](O[P@](=O)([O-])CCCCc2ccccc2)C1=O	ZINC000013737326	563002497	/nfs/dbraw/zinc/00/24/97/563002497.db2.gz	ZAGLCORVVOGVQY-HXUWFJFHSA-N	-2	0	431.425	3.644	1	0		IHAFRL
O=C([O-])c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(C[C@@H]3CCCO3)c(=O)n2[n-]1	ZINC000034820317	563088055	/nfs/dbraw/zinc/08/80/55/563088055.db2.gz	CEQJKMUFIVQIBS-IBGZPJMESA-N	-2	0	445.475	3.688	1	0		IHAFRL
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c(=O)n(CC(=O)[O-])[n-]c32)cc1	ZINC000096269821	563196639	/nfs/dbraw/zinc/19/66/39/563196639.db2.gz	PDVZJQALXRERNL-UHFFFAOYSA-N	-2	0	440.402	3.947	1	0		IHAFRL
O=C([O-])CNC(=O)c1c(=O)oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2c1[O-]	ZINC000043206138	563119656	/nfs/dbraw/zinc/11/96/56/563119656.db2.gz	IGDSUTLJVSKYMJ-UHFFFAOYSA-N	-2	0	431.400	3.772	1	0		IHAFRL
COc1ccc(Nc2n[nH]c([N-]S(=O)(=O)c3cc(C)c(Cl)cc3[S-])n2)cc1	ZINC000001642332	562923529	/nfs/dbraw/zinc/92/35/29/562923529.db2.gz	ONYBCDREBRLIKV-UHFFFAOYSA-N	-2	0	425.923	3.608	1	0		IHAFRL
O=C([O-])C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1-n1cccc1)C(=O)[O-]	ZINC000013781080	563006542	/nfs/dbraw/zinc/00/65/42/563006542.db2.gz	XSYRXKPOOFUMNW-GCJKJVERSA-N	-2	0	437.920	3.665	1	0		IHAFRL
COc1ccc(C(=O)c2ccc3c(-c4ccc(OC(C(=O)[O-])C(=O)[O-])cc4)nocc2-3)cc1	ZINC000028567697	563058364	/nfs/dbraw/zinc/05/83/64/563058364.db2.gz	OPHJTCSARMLYPO-UHFFFAOYSA-N	-2	0	447.399	3.603	1	0		IHAFRL
O=[P@@]([O-])(O)[C@H](CCCc1cccc(Oc2ccc3occc3c2)c1)S(=O)(=O)[O-]	ZINC000040421874	563102300	/nfs/dbraw/zinc/10/23/00/563102300.db2.gz	ILJWMHLLBUNHIQ-SFHVURJKSA-N	-2	0	426.383	3.939	1	0	in-vitro	IHAFRL
O=C([O-])C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(Oc2ccccc2)cc1	ZINC000095554851	563181238	/nfs/dbraw/zinc/18/12/38/563181238.db2.gz	WCERXIPSPJLCLF-OAQYLSRUSA-N	-2	0	443.459	3.904	1	0		IHAFRL