smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@H](Nc2cccc(F)c2)P(=O)([O-])[O-])c(C)c1	ZINC000012997410	563929099	/nfs/dbraw/zinc/92/90/99/563929099.db2.gz	SVNNQQYHZVDVJJ-OAHLLOKOSA-N	-2	1	309.277	3.731	50	0		DHAAML
Cc1ccc([C@@H](Nc2cccc(F)c2)P(=O)([O-])[O-])c(C)c1	ZINC000012997409	563929140	/nfs/dbraw/zinc/92/91/40/563929140.db2.gz	SVNNQQYHZVDVJJ-HNNXBMFYSA-N	-2	1	309.277	3.731	50	0		DHAAML
O=P([O-])([O-])[C@@H](Nc1ccc(Cl)cc1)c1ccsc1	ZINC000012997412	563929043	/nfs/dbraw/zinc/92/90/43/563929043.db2.gz	UQWKCPKEGGSZTG-LLVKDONJSA-N	-2	1	303.707	3.690	50	0		DHAAML
CCCOc1ccc([C@H](Nc2ccccc2)[P@](=O)([O-])O)cc1	ZINC000012523575	563797521	/nfs/dbraw/zinc/79/75/21/563797521.db2.gz	ODSARMBXMVWRDB-MRXNPFEDSA-N	-2	1	321.313	3.764	50	0		DHAAML
CCCOc1ccc([C@H](Nc2ccccc2)P(=O)([O-])[O-])cc1	ZINC000012523575	563797524	/nfs/dbraw/zinc/79/75/24/563797524.db2.gz	ODSARMBXMVWRDB-MRXNPFEDSA-N	-2	1	321.313	3.764	50	0		DHAAML
Cc1ccccc1Nc1c(C(=O)[O-])cnc2ccc(C(=O)[O-])cc21	ZINC000005510777	181251138	/nfs/dbraw/zinc/25/11/38/181251138.db2.gz	JOJXXNGTCZVZEH-UHFFFAOYSA-N	-2	1	322.320	3.683	50	0		DHAAML
Cc1ccc(N[C@@H](c2ccc(F)c(F)c2)[P@](=O)([O-])O)cc1	ZINC000012523582	563797543	/nfs/dbraw/zinc/79/75/43/563797543.db2.gz	DIYUIHZKACJXBU-CQSZACIVSA-N	-2	1	313.240	3.562	50	0		DHAAML
Cc1ccc(N[C@@H](c2ccc(F)c(F)c2)P(=O)([O-])[O-])cc1	ZINC000012523582	563797545	/nfs/dbraw/zinc/79/75/45/563797545.db2.gz	DIYUIHZKACJXBU-CQSZACIVSA-N	-2	1	313.240	3.562	50	0		DHAAML
CCC1CCC(Nc2ccc(OC)cc2)(P(=O)([O-])[O-])CC1	ZINC000012538237	563798990	/nfs/dbraw/zinc/79/89/90/563798990.db2.gz	YAWVDWLZFPOHOQ-UHFFFAOYSA-N	-2	1	313.334	3.581	50	0		DHAAML
CCc1ccc([C@H](Nc2ccc(C)c(F)c2)P(=O)([O-])[O-])cc1	ZINC000012950457	563859936	/nfs/dbraw/zinc/85/99/36/563859936.db2.gz	SBYOUUJPSAZUSM-MRXNPFEDSA-N	-2	1	323.304	3.985	50	0		DHAAML
O=C([O-])c1ccccc1C(=O)c1ccc([O-])c(-c2ccccc2)c1	ZINC000000001431	563504291	/nfs/dbraw/zinc/50/42/91/563504291.db2.gz	PKHPZNKXOBWFCX-UHFFFAOYSA-N	-2	1	318.328	3.988	50	0	in-man	DHAAML
CCc1cccc(N[C@H](c2cccc(C)c2)P(=O)([O-])[O-])c1	ZINC000024769781	182390756	/nfs/dbraw/zinc/39/07/56/182390756.db2.gz	XKCTUHVEGRJLCZ-INIZCTEOSA-N	-2	1	305.314	3.846	50	0		DHAAML
CC(C)c1nc(/C=C/c2ccc([O-])c(Cl)c2)ncc1C(=O)[O-]	ZINC000069927744	190839664	/nfs/dbraw/zinc/83/96/64/190839664.db2.gz	JKEVNMKCSCSGBI-GQCTYLIASA-N	-2	1	318.760	3.828	50	0		DHAAML
CCc1ccc([C@@H](Nc2ccc(C)c(F)c2)P(=O)([O-])[O-])cc1	ZINC000012950455	563859896	/nfs/dbraw/zinc/85/98/96/563859896.db2.gz	SBYOUUJPSAZUSM-INIZCTEOSA-N	-2	1	323.304	3.985	50	0		DHAAML
CC(C)c1nc(/C=C\c2ccc([O-])c(Cl)c2)ncc1C(=O)[O-]	ZINC000096295441	563936112	/nfs/dbraw/zinc/93/61/12/563936112.db2.gz	JKEVNMKCSCSGBI-XQRVVYSFSA-N	-2	1	318.760	3.828	50	0		DHAAML
O=P([O-])([O-])C1(Nc2ccc(OC(F)F)cc2)CCCCC1	ZINC000012537699	563799219	/nfs/dbraw/zinc/79/92/19/563799219.db2.gz	PHNYZYUKTICPGY-UHFFFAOYSA-N	-2	1	321.260	3.538	50	0		DHAAML
Nc1ncc(-c2c([O-])c(Cl)c(Cl)c([O-])c2Cl)s1	ZINC000196609948	1015066924	/nfs/dbraw/zinc/06/69/24/1015066924.db2.gz	BKGFCODNMAMEBO-UHFFFAOYSA-N	-2	1	311.577	3.764	50	0		DHAAML
O=[P@]([O-])(O)[C@H](Nc1ccc2c(c1)CCC2)c1ccsc1	ZINC000012523581	563797688	/nfs/dbraw/zinc/79/76/88/563797688.db2.gz	AGMLEJKHHSILQD-AWEZNQCLSA-N	-2	1	309.327	3.525	50	0		DHAAML
O=P([O-])([O-])[C@H](Nc1ccc2c(c1)CCC2)c1ccsc1	ZINC000012523581	563797691	/nfs/dbraw/zinc/79/76/91/563797691.db2.gz	AGMLEJKHHSILQD-AWEZNQCLSA-N	-2	1	309.327	3.525	50	0		DHAAML
O=C([O-])C[C@H](c1ccccc1)c1cccc(Br)c1[O-]	ZINC000023550116	563450370	/nfs/dbraw/zinc/45/03/70/563450370.db2.gz	QOOGKPUYRCEKRD-GFCCVEGCSA-N	-2	1	321.170	3.761	50	0		DHAAML
CCCOc1ccc([C@@H](Nc2ccccc2)[P@](=O)([O-])O)cc1	ZINC000012523574	563797783	/nfs/dbraw/zinc/79/77/83/563797783.db2.gz	ODSARMBXMVWRDB-INIZCTEOSA-N	-2	1	321.313	3.764	50	0		DHAAML
CCCOc1ccc([C@@H](Nc2ccccc2)P(=O)([O-])[O-])cc1	ZINC000012523574	563797786	/nfs/dbraw/zinc/79/77/86/563797786.db2.gz	ODSARMBXMVWRDB-INIZCTEOSA-N	-2	1	321.313	3.764	50	0		DHAAML
Cc1cccc(N[C@@H](c2ccc(C)cc2C)P(=O)([O-])[O-])c1	ZINC000012536577	563799260	/nfs/dbraw/zinc/79/92/60/563799260.db2.gz	RZLAEUBAISLIGZ-MRXNPFEDSA-N	-2	1	305.314	3.900	50	0		DHAAML
O=P([O-])([O-])[C@@H](Nc1ccc2c(c1)CCC2)c1ccsc1	ZINC000012523580	563797602	/nfs/dbraw/zinc/79/76/02/563797602.db2.gz	AGMLEJKHHSILQD-CQSZACIVSA-N	-2	1	309.327	3.525	50	0		DHAAML
CC(C)(C)c1oc2cc(Br)c([O-])cc2c1C(=O)[O-]	ZINC000000307913	563587448	/nfs/dbraw/zinc/58/74/48/563587448.db2.gz	LXKISVZLLQENGS-UHFFFAOYSA-N	-2	1	313.147	3.897	50	0		DHAAML
O=[P@]([O-])(O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccsc1	ZINC000012523580	563797599	/nfs/dbraw/zinc/79/75/99/563797599.db2.gz	AGMLEJKHHSILQD-CQSZACIVSA-N	-2	1	309.327	3.525	50	0		DHAAML
O=P([O-])([O-])[C@H](Nc1ccc(Cl)cc1)c1ccsc1	ZINC000012997413	563929147	/nfs/dbraw/zinc/92/91/47/563929147.db2.gz	UQWKCPKEGGSZTG-NSHDSACASA-N	-2	1	303.707	3.690	50	0		DHAAML
Cc1cc(O)c(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F	ZINC000002479690	563938076	/nfs/dbraw/zinc/93/80/76/563938076.db2.gz	NDIRDIIUUFIYJE-UHFFFAOYSA-N	-2	1	308.605	3.666	50	0		DHAAML
CCc1cccc(N[C@@H](c2cccc(C)c2)P(=O)([O-])[O-])c1	ZINC000024769773	182390531	/nfs/dbraw/zinc/39/05/31/182390531.db2.gz	XKCTUHVEGRJLCZ-MRXNPFEDSA-N	-2	1	305.314	3.846	50	0		DHAAML
Cc1cccc(N[C@H](c2ccc(C)cc2C)P(=O)([O-])[O-])c1	ZINC000012536576	563799283	/nfs/dbraw/zinc/79/92/83/563799283.db2.gz	RZLAEUBAISLIGZ-INIZCTEOSA-N	-2	1	305.314	3.900	50	0		DHAAML
O=C([O-])c1ccc2nc(/C=C\c3cc(F)c([O-])c(F)c3)oc2c1	ZINC000439269211	338365485	/nfs/dbraw/zinc/36/54/85/338365485.db2.gz	GWXOUUMKDWDTSQ-RJRFIUFISA-N	-2	1	317.247	3.680	50	0		DHAAML
O=C([O-])C[C@@H](c1ccccc1)c1cccc(Br)c1[O-]	ZINC000023550115	563450772	/nfs/dbraw/zinc/45/07/72/563450772.db2.gz	QOOGKPUYRCEKRD-LBPRGKRZSA-N	-2	1	321.170	3.761	50	0		DHAAML
Cc1ccc(N[C@H](c2ccc(F)c(F)c2)[P@](=O)([O-])O)cc1	ZINC000012523583	563797495	/nfs/dbraw/zinc/79/74/95/563797495.db2.gz	DIYUIHZKACJXBU-AWEZNQCLSA-N	-2	1	313.240	3.562	50	0		DHAAML
Cc1ccc(N[C@H](c2ccc(F)c(F)c2)P(=O)([O-])[O-])cc1	ZINC000012523583	563797499	/nfs/dbraw/zinc/79/74/99/563797499.db2.gz	DIYUIHZKACJXBU-AWEZNQCLSA-N	-2	1	313.240	3.562	50	0		DHAAML