smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1([NH2+]C[P@](=O)([O-])O)CCCC1	ZINC000026651096	563034578	/nfs/dbraw/zinc/03/45/78/563034578.db2.gz	IKNOVKGMOHXNDO-IBGZPJMESA-N	-1	2	446.440	2.503	1	0		IFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1([NH2+]C[P@@](=O)([O-])O)CCCC1	ZINC000026651096	563034579	/nfs/dbraw/zinc/03/45/79/563034579.db2.gz	IKNOVKGMOHXNDO-IBGZPJMESA-N	-1	2	446.440	2.503	1	0		IFAFLM
O=C(N[C@H]1CCCCN(C/C=C/c2ccccc2)C1=O)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000013440995	562986321	/nfs/dbraw/zinc/98/63/21/562986321.db2.gz	BQTLYDDOJAASCS-ZGBFETHSSA-N	-1	2	444.424	2.982	1	0		IFAFLM
O=C(N[C@H]1CCCCN(C/C=C/c2ccccc2)C1=O)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000013440995	562986322	/nfs/dbraw/zinc/98/63/22/562986322.db2.gz	BQTLYDDOJAASCS-ZGBFETHSSA-N	-1	2	444.424	2.982	1	0		IFAFLM
CCCC[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026651361	563034693	/nfs/dbraw/zinc/03/46/93/563034693.db2.gz	VVIGQDQMSRGEBC-PMACEKPBSA-N	-1	2	448.456	2.749	1	0		IFAFLM
CCCC[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026651361	563034694	/nfs/dbraw/zinc/03/46/94/563034694.db2.gz	VVIGQDQMSRGEBC-PMACEKPBSA-N	-1	2	448.456	2.749	1	0		IFAFLM
CC(C)(C)[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026662219	563034991	/nfs/dbraw/zinc/03/49/91/563034991.db2.gz	XFGVZQGVPSMUPV-RBUKOAKNSA-N	-1	2	448.456	2.605	1	0		IFAFLM
CC(C)(C)[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026662219	563034992	/nfs/dbraw/zinc/03/49/92/563034992.db2.gz	XFGVZQGVPSMUPV-RBUKOAKNSA-N	-1	2	448.456	2.605	1	0		IFAFLM
CC(C)C[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026664925	563035108	/nfs/dbraw/zinc/03/51/08/563035108.db2.gz	ATVSTHAKNHXDKP-PMACEKPBSA-N	-1	2	448.456	2.605	1	0		IFAFLM
CC(C)C[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026664925	563035109	/nfs/dbraw/zinc/03/51/09/563035109.db2.gz	ATVSTHAKNHXDKP-PMACEKPBSA-N	-1	2	448.456	2.605	1	0		IFAFLM
O=C(c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c2ncccc12)N1CCC(O)CC1	ZINC000040379594	563099464	/nfs/dbraw/zinc/09/94/64/563099464.db2.gz	PZGRCTPPFRAWNF-UHFFFAOYSA-N	-1	2	449.442	2.712	1	0		IFAFLM
O=c1n(Cc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc([P@](=O)([O-])O)cc1	ZINC000028569545	563058878	/nfs/dbraw/zinc/05/88/78/563058878.db2.gz	KNZIXYDDZTYTJS-UHFFFAOYSA-N	-1	2	434.392	2.579	1	0		IFAFLM
O=c1n(Cc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc([P@@](=O)([O-])O)cc1	ZINC000028569545	563058879	/nfs/dbraw/zinc/05/88/79/563058879.db2.gz	KNZIXYDDZTYTJS-UHFFFAOYSA-N	-1	2	434.392	2.579	1	0		IFAFLM
O=C(N[C@H]1CCCCN(CCCc2ccccc2)C1=O)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000013440992	562986283	/nfs/dbraw/zinc/98/62/83/562986283.db2.gz	JKNXNBWFPBWWLJ-FQEVSTJZSA-N	-1	2	446.440	2.902	1	0		IFAFLM
O=C(N[C@H]1CCCCN(CCCc2ccccc2)C1=O)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000013440992	562986285	/nfs/dbraw/zinc/98/62/85/562986285.db2.gz	JKNXNBWFPBWWLJ-FQEVSTJZSA-N	-1	2	446.440	2.902	1	0		IFAFLM
CC(C)[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(C2CCCCC2)cc1)C(=O)[O-]	ZINC000026654461	563034805	/nfs/dbraw/zinc/03/48/05/563034805.db2.gz	OSTXOFBATBEQSL-OALUTQOASA-N	-1	2	440.477	2.596	1	0		IFAFLM
CC(C)[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(C2CCCCC2)cc1)C(=O)[O-]	ZINC000026654461	563034806	/nfs/dbraw/zinc/03/48/06/563034806.db2.gz	OSTXOFBATBEQSL-OALUTQOASA-N	-1	2	440.477	2.596	1	0		IFAFLM
Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)cc1Cl	ZINC000058519432	563143870	/nfs/dbraw/zinc/14/38/70/563143870.db2.gz	CCGFSZVKSQPTHE-LADGPHEKSA-N	-1	2	429.992	2.841	1	0		IFAFLM
CC[C@@H](C)[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026649315	563034565	/nfs/dbraw/zinc/03/45/65/563034565.db2.gz	KSDXHWOIFKMBGX-XPGWFJOJSA-N	-1	2	448.456	2.605	1	0		IFAFLM
CC[C@@H](C)[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026649315	563034566	/nfs/dbraw/zinc/03/45/66/563034566.db2.gz	KSDXHWOIFKMBGX-XPGWFJOJSA-N	-1	2	448.456	2.605	1	0		IFAFLM
CC(=O)c1c([O-])c(C(C)c2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O	ZINC000073311631	563172298	/nfs/dbraw/zinc/17/22/98/563172298.db2.gz	LKGCZSHPOFNKJV-UHFFFAOYSA-N	-1	2	446.408	2.882	1	0		IFAFLM
O=C([O-])c1nc(-c2sccc2NS(=O)(=O)c2ccc3ccccc3c2)[nH]c(=O)c1O	ZINC000003582757	562936527	/nfs/dbraw/zinc/93/65/27/562936527.db2.gz	DSGPMSDUSJPPQB-UHFFFAOYSA-N	-1	2	443.462	2.856	1	0		IFAFLM