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](Oc1ccccc1)P(=O)([O-])[O-]	ZINC000095595228	185014726	/nfs/dbraw/zinc/01/47/26/185014726.db2.gz	LDUVGMQLIHWARH-NSHDSACASA-N	-3	3	289.224	1.197	1	30		CDEFHL
CC(=O)N([O-])C[C@@H]1C[C@@]1(c1ccccc1)P(=O)([O-])[O-]	ZINC000040763470	174397343	/nfs/dbraw/zinc/39/73/43/174397343.db2.gz	DKLANOGEGNSBII-RYUDHWBXSA-N	-3	3	285.236	1.317	1	30		CDEFHL
CC(=O)N(O)C[C@@H]1C[C@@]1(c1ccccc1)P(=O)([O-])[O-]	ZINC000040763470	174397345	/nfs/dbraw/zinc/39/73/45/174397345.db2.gz	DKLANOGEGNSBII-RYUDHWBXSA-N	-2	3	285.236	1.317	1	30		CDEFHL
Cc1ccc([C@H](OCC(=O)N(C)[O-])P(=O)([O-])[O-])cc1	ZINC000095553698	185008132	/nfs/dbraw/zinc/00/81/32/185008132.db2.gz	RRNKZJYPJAPRFT-LLVKDONJSA-N	-3	3	289.224	1.036	1	30		CDEFHL
CC(=O)N(O)CC[C@@H](c1ccccc1C)P(=O)([O-])[O-]	ZINC000072108991	176317100	/nfs/dbraw/zinc/31/71/00/176317100.db2.gz	VPALEPWTPWJDOV-LBPRGKRZSA-N	-2	3	287.252	1.842	1	30		CDEFHL
O=C1C=CC(O)(c2cc(=O)c3c([O-])cc([O-])cc3o2)C=C1	ZINC000008829745	170357101	/nfs/dbraw/zinc/35/71/01/170357101.db2.gz	DLMOVPAUHQQYHA-UHFFFAOYSA-N	-2	3	286.239	1.087	3	30		CDEFHL
CC(=O)N([O-])CC[C@H](Oc1ccccc1)P(=O)([O-])[O-]	ZINC000095595229	185013793	/nfs/dbraw/zinc/01/37/93/185013793.db2.gz	LDUVGMQLIHWARH-LLVKDONJSA-N	-3	3	289.224	1.197	1	30		CDEFHL
CN(O)C(=O)CC[C@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000095553131	185008344	/nfs/dbraw/zinc/00/83/44/185008344.db2.gz	IVXUMQUJFAYDTH-SNVBAGLBSA-N	-2	3	273.225	1.533	1	30		CDEFHL
Cc1ccc([C@@H](OCC(=O)N(C)[O-])P(=O)([O-])[O-])cc1	ZINC000095553697	185008422	/nfs/dbraw/zinc/00/84/22/185008422.db2.gz	RRNKZJYPJAPRFT-NSHDSACASA-N	-3	3	289.224	1.036	1	30		CDEFHL
O=C(CC[C@@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-])NO	ZINC000072114778	176318545	/nfs/dbraw/zinc/31/85/45/176318545.db2.gz	WIEOHPNCBSMHIO-VIFPVBQESA-N	-2	3	295.178	1.469	1	30		CDEFHL
CC1=CC2=C(CO1)C(=O)c1c([O-])cc([O-])cc1C2=O	ZINC000005766859	170138729	/nfs/dbraw/zinc/13/87/29/170138729.db2.gz	ATLURBSTOUCQEI-UHFFFAOYSA-N	-2	3	258.229	1.707	1	30		CDEFHL
CCN([O-])C(=O)CO[C@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000095553672	185008016	/nfs/dbraw/zinc/00/80/16/185008016.db2.gz	CFERQQCUDFKFDL-NSHDSACASA-N	-3	3	289.224	1.117	1	30		CDEFHL
O=C([O-])c1ccc([C@@H]2C(=O)N([O-])[C@@H]3C=CC[C@H]23)cc1	ZINC000005497546	170104900	/nfs/dbraw/zinc/10/49/00/170104900.db2.gz	IBJUNFZFIQHTSG-TUAOUCFPSA-N	-2	3	259.261	1.645	1	30		CDEFHL
CC(=O)N(O)CC[C@@H](c1ccccc1C#N)P(=O)([O-])[O-]	ZINC000072108031	176317055	/nfs/dbraw/zinc/31/70/55/176317055.db2.gz	ICXSTNFZUOXNJW-LBPRGKRZSA-N	-2	3	298.235	1.405	1	30		CDEFHL
[O-]c1csc(NN=Cc2cc(Cl)ccc2[O-])n1	ZINC000006240426	170185000	/nfs/dbraw/zinc/18/50/00/170185000.db2.gz	CBYKZDODYSIEFB-UUILKARUSA-N	-2	3	269.713	1.599	1	30		CDEFHL
CC(=O)N(O)CC[C@H](c1ccccc1C#N)P(=O)([O-])[O-]	ZINC000072108032	176316961	/nfs/dbraw/zinc/31/69/61/176316961.db2.gz	ICXSTNFZUOXNJW-GFCCVEGCSA-N	-2	3	298.235	1.405	1	30		CDEFHL
CCN(O)C(=O)CC[C@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000072118575	176319299	/nfs/dbraw/zinc/31/92/99/176319299.db2.gz	MSIFZJCAZSYKFQ-LLVKDONJSA-N	-2	3	287.252	1.923	1	30		CDEFHL
CN(O)C(=O)CC[C@@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000095553130	185008076	/nfs/dbraw/zinc/00/80/76/185008076.db2.gz	IVXUMQUJFAYDTH-JTQLQIEISA-N	-2	3	273.225	1.533	1	30		CDEFHL
Cc1ccc([C@H](CCC(=O)N(C)O)P(=O)([O-])[O-])cc1	ZINC000095552898	185008601	/nfs/dbraw/zinc/00/86/01/185008601.db2.gz	YBVPWURHYFIQDS-NSHDSACASA-N	-2	3	287.252	1.842	1	30	in-vitro	CDEFHL
O=C(CC[C@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-])NO	ZINC000072114777	176318414	/nfs/dbraw/zinc/31/84/14/176318414.db2.gz	WIEOHPNCBSMHIO-SECBINFHSA-N	-2	3	295.178	1.469	1	30		CDEFHL
CCN(O)C(=O)CC[C@@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000072118574	176319037	/nfs/dbraw/zinc/31/90/37/176319037.db2.gz	MSIFZJCAZSYKFQ-NSHDSACASA-N	-2	3	287.252	1.923	1	30		CDEFHL
N#CCCCOc1ccc(O)cc1C([O-])=CC(=O)C(=O)[O-]	ZINC000101029897	185732430	/nfs/dbraw/zinc/73/24/30/185732430.db2.gz	GLGOVUDBKRUXKW-FLIBITNWSA-N	-2	3	291.259	1.627	1	30		CDEFHL
CCN([O-])C(=O)CO[C@@H](c1ccccc1)P(=O)([O-])[O-]	ZINC000095553671	185008084	/nfs/dbraw/zinc/00/80/84/185008084.db2.gz	CFERQQCUDFKFDL-LLVKDONJSA-N	-3	3	289.224	1.117	1	30		CDEFHL
CC1=C(C[C@H](O)CC(=O)[O-])C(=O)c2cccc([O-])c2C1=O	ZINC000003652894	560189263	/nfs/dbraw/zinc/18/92/63/560189263.db2.gz	MIJQQLCPVSCPSU-QMMMGPOBSA-N	-2	3	290.271	1.313	1	30	in-vitro	CDEFHL
Cc1ccc([C@@H](CCC(=O)N(C)O)P(=O)([O-])[O-])cc1	ZINC000095552897	185008295	/nfs/dbraw/zinc/00/82/95/185008295.db2.gz	YBVPWURHYFIQDS-LLVKDONJSA-N	-2	3	287.252	1.842	1	30		CDEFHL
CC(=O)N(O)CC[C@H](c1ccccc1C)P(=O)([O-])[O-]	ZINC000072108990	176317128	/nfs/dbraw/zinc/31/71/28/176317128.db2.gz	VPALEPWTPWJDOV-GFCCVEGCSA-N	-2	3	287.252	1.842	1	30		CDEFHL
Cn1c(C([O-])=CC(=O)C(=O)[O-])cc2cc3c(cc21)OCO3	ZINC000101021103	185732255	/nfs/dbraw/zinc/73/22/55/185732255.db2.gz	INWHRXUXJPMAGH-YHYXMXQVSA-N	-2	3	289.243	1.460	1	30		CDEFHL
O=C(CC12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2)N[O-]	ZINC000095588745	185012644	/nfs/dbraw/zinc/01/26/44/185012644.db2.gz	HQVXYQKYHGVBAW-RFZWMSCOSA-N	-2	3	253.298	1.553	1	30		CDEFHL
C=C1CO[C@@H]2Oc3ccc(CCC(=O)[O-])c([O-])c3[C@H]12	ZINC000013480274	560217285	/nfs/dbraw/zinc/21/72/85/560217285.db2.gz	STKXUBBSZBYOQM-SMDDNHRTSA-N	-2	3	262.261	1.798	1	30	biogenic,in-vitro	CDEFHL
CC(=O)N([O-])C[C@H]1C[C@]1(c1ccccc1)P(=O)([O-])[O-]	ZINC000040763472	174397267	/nfs/dbraw/zinc/39/72/67/174397267.db2.gz	DKLANOGEGNSBII-VXGBXAGGSA-N	-3	3	285.236	1.317	1	30		CDEFHL
CC(=O)N(O)C[C@H]1C[C@]1(c1ccccc1)P(=O)([O-])[O-]	ZINC000040763472	174397269	/nfs/dbraw/zinc/39/72/69/174397269.db2.gz	DKLANOGEGNSBII-VXGBXAGGSA-N	-2	3	285.236	1.317	1	30		CDEFHL
CC(=O)N([O-])C[C@H]1C[C@@]1(c1ccccc1)P(=O)([O-])[O-]	ZINC000040763471	174397097	/nfs/dbraw/zinc/39/70/97/174397097.db2.gz	DKLANOGEGNSBII-NEPJUHHUSA-N	-3	3	285.236	1.317	1	30		CDEFHL
CC(=O)N(O)C[C@H]1C[C@@]1(c1ccccc1)P(=O)([O-])[O-]	ZINC000040763471	174397098	/nfs/dbraw/zinc/39/70/98/174397098.db2.gz	DKLANOGEGNSBII-NEPJUHHUSA-N	-2	3	285.236	1.317	1	30		CDEFHL