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](NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])O)c1ccccc1	ZINC000027556114	563046414	/nfs/dbraw/zinc/04/64/14/563046414.db2.gz	NUGZWZGJOFRYRK-YADHBBJMSA-N	-1	2	468.446	2.932	1	0		JFAFLM
O=C([O-])[C@@H](NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@@](=O)([O-])O)c1ccccc1	ZINC000027556114	563046415	/nfs/dbraw/zinc/04/64/15/563046415.db2.gz	NUGZWZGJOFRYRK-YADHBBJMSA-N	-1	2	468.446	2.932	1	0		JFAFLM
O=C([O-])c1ccccc1C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	ZINC000059511223	563209050	/nfs/dbraw/zinc/20/90/50/563209050.db2.gz	VVJPCRAHGNSJDF-UHFFFAOYSA-N	-1	2	479.464	2.834	1	0		JFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1cccs1)[NH2+]C[P@](=O)([O-])O	ZINC000026656394	563032370	/nfs/dbraw/zinc/03/23/70/563032370.db2.gz	ITMQFUGUIZVZNR-SFTDATJTSA-N	-1	2	488.502	2.863	1	0		JFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1cccs1)[NH2+]C[P@@](=O)([O-])O	ZINC000026656394	563032371	/nfs/dbraw/zinc/03/23/71/563032371.db2.gz	ITMQFUGUIZVZNR-SFTDATJTSA-N	-1	2	488.502	2.863	1	0		JFAFLM
COC(=O)[C@H](CC(C)C)NC(=O)N[C@H](C(=O)[O-])c1cc(Br)c(O)c(Br)c1	ZINC000045348402	563191483	/nfs/dbraw/zinc/19/14/83/563191483.db2.gz	DERGPJYUTVHDMK-RYUDHWBXSA-N	-1	2	496.152	2.930	1	0		JFAFLM
CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[P@@](=O)([O-])O	ZINC000028254470	563059159	/nfs/dbraw/zinc/05/91/59/563059159.db2.gz	LGRFWMSHOJICKW-FHWLQOOXSA-N	-1	2	453.476	2.588	1	0		JFAFLM
CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[P@](=O)([O-])O	ZINC000028254470	563059161	/nfs/dbraw/zinc/05/91/61/563059161.db2.gz	LGRFWMSHOJICKW-FHWLQOOXSA-N	-1	2	453.476	2.588	1	0		JFAFLM
Cc1ccc(-c2nn(CCCCO[P@](=O)([O-])C[P@@](=O)([O-])O)c3nc[nH+]c(N)c23)cc1	ZINC000001907966	562924134	/nfs/dbraw/zinc/92/41/34/562924134.db2.gz	FSWRIMHLHGSSQW-UHFFFAOYSA-N	-1	2	455.348	2.501	1	0		JFAFLM
Cc1ccc(-c2nn(CCCCO[P@](=O)([O-])C[P@](=O)([O-])O)c3nc[nH+]c(N)c23)cc1	ZINC000001907966	562924136	/nfs/dbraw/zinc/92/41/36/562924136.db2.gz	FSWRIMHLHGSSQW-UHFFFAOYSA-N	-1	2	455.348	2.501	1	0		JFAFLM
O=C(N[C@H]1CSCCN(C/C=C/c2ccccc2)C1=O)c1ccc(O[P@](=O)([O-])O)cc1	ZINC000013440997	562963215	/nfs/dbraw/zinc/96/32/15/562963215.db2.gz	VNOAELOPLHJIJH-QTWIXLPOSA-N	-1	2	462.464	2.545	1	0		JFAFLM
O=C(N[C@H]1CSCCN(C/C=C/c2ccccc2)C1=O)c1ccc(O[P@@](=O)([O-])O)cc1	ZINC000013440997	562963216	/nfs/dbraw/zinc/96/32/16/562963216.db2.gz	VNOAELOPLHJIJH-QTWIXLPOSA-N	-1	2	462.464	2.545	1	0		JFAFLM
CCCCCc1noc([C@H](CC)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000026466704	563027833	/nfs/dbraw/zinc/02/78/33/563027833.db2.gz	LSMFOPAHJLBGHK-ROUUACIJSA-N	-1	2	482.474	2.589	1	0		JFAFLM
CCCCCc1noc([C@H](CC)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000026466704	563027834	/nfs/dbraw/zinc/02/78/34/563027834.db2.gz	LSMFOPAHJLBGHK-ROUUACIJSA-N	-1	2	482.474	2.589	1	0		JFAFLM
CCCCCCc1noc([C@H](CC)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000026472194	563027948	/nfs/dbraw/zinc/02/79/48/563027948.db2.gz	VRJQJTCJJWTVOT-OALUTQOASA-N	-1	2	496.501	2.979	1	0		JFAFLM
CCCCCCc1noc([C@H](CC)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)n1	ZINC000026472194	563027949	/nfs/dbraw/zinc/02/79/49/563027949.db2.gz	VRJQJTCJJWTVOT-OALUTQOASA-N	-1	2	496.501	2.979	1	0		JFAFLM
O=C([O-])[C@@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])O)c1ccccc1	ZINC000027556116	563046382	/nfs/dbraw/zinc/04/63/82/563046382.db2.gz	NUGZWZGJOFRYRK-VXKWHMMOSA-N	-1	2	468.446	2.932	1	0		JFAFLM
O=C([O-])[C@@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@@](=O)([O-])O)c1ccccc1	ZINC000027556116	563046383	/nfs/dbraw/zinc/04/63/83/563046383.db2.gz	NUGZWZGJOFRYRK-VXKWHMMOSA-N	-1	2	468.446	2.932	1	0		JFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[P@@](=O)([O-])O	ZINC000026656389	563032404	/nfs/dbraw/zinc/03/24/04/563032404.db2.gz	HTFIACKHINSWKI-GOTSBHOMSA-N	-1	2	498.472	2.507	1	0		JFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[P@](=O)([O-])O	ZINC000026656389	563032405	/nfs/dbraw/zinc/03/24/05/563032405.db2.gz	HTFIACKHINSWKI-GOTSBHOMSA-N	-1	2	498.472	2.507	1	0		JFAFLM
CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[P@@](=O)([O-])O	ZINC000028254476	563059084	/nfs/dbraw/zinc/05/90/84/563059084.db2.gz	LGRFWMSHOJICKW-GBESFXJTSA-N	-1	2	453.476	2.588	1	0		JFAFLM
CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[P@](=O)([O-])O	ZINC000028254476	563059085	/nfs/dbraw/zinc/05/90/85/563059085.db2.gz	LGRFWMSHOJICKW-GBESFXJTSA-N	-1	2	453.476	2.588	1	0		JFAFLM
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)[NH2+]C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000027557333	563046535	/nfs/dbraw/zinc/04/65/35/563046535.db2.gz	UGKGUEDVMKIJFU-ZWKOTPCHSA-N	-1	2	462.439	2.837	1	0		JFAFLM
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)[NH2+]C[P@](=O)([O-])O)C(=O)[O-]	ZINC000027557333	563046536	/nfs/dbraw/zinc/04/65/36/563046536.db2.gz	UGKGUEDVMKIJFU-ZWKOTPCHSA-N	-1	2	462.439	2.837	1	0		JFAFLM
COC(=O)[C@H](CC(C)C)NC(=O)N[C@@H](C(=O)[O-])c1cc(Br)c(O)c(Br)c1	ZINC000045348405	563191490	/nfs/dbraw/zinc/19/14/90/563191490.db2.gz	DERGPJYUTVHDMK-NWDGAFQWSA-N	-1	2	496.152	2.930	1	0		JFAFLM
C/C(=C\[C@H](O)C1OC(=O)C=C1C)CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(C(=O)[O-])CCC[C@]12C	ZINC000040428801	563143154	/nfs/dbraw/zinc/14/31/54/563143154.db2.gz	KBTVDHNXHONKLZ-SUXGLGSNSA-N	-1	2	450.572	2.975	1	0		JFAFLM
C/C(=C\[C@H](O)[C@H]1OC(=O)C=C1C)CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(C(=O)[O-])CCC[C@]12C	ZINC000040428801	563143155	/nfs/dbraw/zinc/14/31/55/563143155.db2.gz	KBTVDHNXHONKLZ-SUXGLGSNSA-N	-1	2	450.572	2.975	1	0		JFAFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)[NH2+]C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013805019	562995101	/nfs/dbraw/zinc/99/51/01/562995101.db2.gz	UGKGUEDVMKIJFU-ROUUACIJSA-N	-1	2	462.439	2.837	1	0		JFAFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)[NH2+]C[P@](=O)([O-])O)C(=O)[O-]	ZINC000013805019	562995103	/nfs/dbraw/zinc/99/51/03/562995103.db2.gz	UGKGUEDVMKIJFU-ROUUACIJSA-N	-1	2	462.439	2.837	1	0		JFAFLM
COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O[P@@](=O)([O-])O)c2)c(OC)c1	ZINC000034587129	563113835	/nfs/dbraw/zinc/11/38/35/563113835.db2.gz	XNOOKZKOUBTYIF-BQYQJAHWSA-N	-1	2	475.412	2.605	1	0		JFAFLM
COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O[P@](=O)([O-])O)c2)c(OC)c1	ZINC000034587129	563113836	/nfs/dbraw/zinc/11/38/36/563113836.db2.gz	XNOOKZKOUBTYIF-BQYQJAHWSA-N	-1	2	475.412	2.605	1	0		JFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)[NH2+]C[P@](=O)([O-])O	ZINC000026651357	563032195	/nfs/dbraw/zinc/03/21/95/563032195.db2.gz	ZMFXEDLVSXEQSM-GOTSBHOMSA-N	-1	2	482.473	2.802	1	0		JFAFLM
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)[NH2+]C[P@@](=O)([O-])O	ZINC000026651357	563032196	/nfs/dbraw/zinc/03/21/96/563032196.db2.gz	ZMFXEDLVSXEQSM-GOTSBHOMSA-N	-1	2	482.473	2.802	1	0		JFAFLM
CS(=O)(=O)N(c1cc(C(F)(F)[P@@](=O)([O-])O)ccc1/C=C/c1ccccc1)S(C)(=O)=O	ZINC000027564391	563047052	/nfs/dbraw/zinc/04/70/52/563047052.db2.gz	JUPLUOFUEJQTPN-CMDGGOBGSA-N	-1	2	481.435	2.810	1	0		JFAFLM
CS(=O)(=O)N(c1cc(C(F)(F)[P@](=O)([O-])O)ccc1/C=C/c1ccccc1)S(C)(=O)=O	ZINC000027564391	563047054	/nfs/dbraw/zinc/04/70/54/563047054.db2.gz	JUPLUOFUEJQTPN-CMDGGOBGSA-N	-1	2	481.435	2.810	1	0		JFAFLM