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[C@H](C(=O)Oc1[nH]c(=O)[nH]c(=O)c1F)[C@H](O)C(=O)[O-]	ZINC001229126496	780354266	/nfs/dbraw/zinc/35/42/66/780354266.db2.gz	XXBFYJDLEKOHRA-VHUNDSFISA-N	-2	2	320.185	-1.531	20	0		DAADLL
CNS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cn1	ZINC000354044460	263317175	/nfs/dbraw/zinc/31/71/75/263317175.db2.gz	RRJZUDNDIWDMSG-UHFFFAOYSA-N	-2	2	312.311	-1.257	20	0		DAADLL
O=C(Oc1[nH]c(=O)nc2nc[nH]c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001227074539	780339438	/nfs/dbraw/zinc/33/94/38/780339438.db2.gz	XWKZSOCXIXFSGT-GSVOUGTGSA-N	-2	2	320.154	-1.566	20	0		DAADLL
O=C([O-])C[C@H](C(=O)Oc1nc(O)cc(=O)[nH]1)[C@H](O)C(=O)[O-]	ZINC001228392897	780347991	/nfs/dbraw/zinc/34/79/91/780347991.db2.gz	VQQQIKWIFDDDSO-NOWQDGDBSA-N	-2	2	302.195	-1.670	20	0		DAADLL
COc1cc(=O)[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001228918481	780353608	/nfs/dbraw/zinc/35/36/08/780353608.db2.gz	PZZPISITJBMZGI-SCSAIBSYSA-N	-2	2	310.155	-1.434	20	0		DAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)[nH]c(=O)c1F)[C@@H](O)C(=O)[O-]	ZINC001229126494	780354743	/nfs/dbraw/zinc/35/47/43/780354743.db2.gz	XXBFYJDLEKOHRA-JLAZNSOCSA-N	-2	2	320.185	-1.531	20	0		DAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1F)[C@@H](O)C(=O)[O-]	ZINC001225885255	780329364	/nfs/dbraw/zinc/32/93/64/780329364.db2.gz	MDYFSOAXHJPUMO-BBIVZNJYSA-N	-2	2	304.186	-1.237	20	0		DAADLL
COc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(=O)[nH]1	ZINC001227002448	780337839	/nfs/dbraw/zinc/33/78/39/780337839.db2.gz	RMXLMTIVSXFDNU-SCSAIBSYSA-N	-2	2	310.155	-1.434	20	0		DAADLL
COc1cc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228918060	780353442	/nfs/dbraw/zinc/35/34/42/780353442.db2.gz	LDDCPEGELWAIHS-NVNXEXLPSA-N	-2	2	316.222	-1.367	20	0		DAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1F)[C@@H](O)C(=O)[O-]	ZINC001225885243	780329251	/nfs/dbraw/zinc/32/92/51/780329251.db2.gz	MDYFSOAXHJPUMO-AWFVSMACSA-N	-2	2	304.186	-1.237	20	0		DAADLL
COc1cc(=O)[nH]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228918061	780352317	/nfs/dbraw/zinc/35/23/17/780352317.db2.gz	LDDCPEGELWAIHS-RNHFCUEFSA-N	-2	2	316.222	-1.367	20	0		DAADLL
Cn1cnc(S(=O)(=O)NCC(=O)Nc2cc[nH+]cc2O)c1	ZINC000345363998	263296076	/nfs/dbraw/zinc/29/60/76/263296076.db2.gz	XPSRCIWFZSWGMZ-UHFFFAOYSA-N	-2	2	311.323	-1.140	20	0		DAADLL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)ncc1F)[C@H](O)C(=O)[O-]	ZINC001225885264	780328911	/nfs/dbraw/zinc/32/89/11/780328911.db2.gz	MDYFSOAXHJPUMO-DZSWIPIPSA-N	-2	2	304.186	-1.237	20	0		DAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)ncc1F)[C@H](O)C(=O)[O-]	ZINC001225885258	780329240	/nfs/dbraw/zinc/32/92/40/780329240.db2.gz	MDYFSOAXHJPUMO-CVYQJGLWSA-N	-2	2	304.186	-1.237	20	0		DAADLL
COc1cc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228918063	780352506	/nfs/dbraw/zinc/35/25/06/780352506.db2.gz	LDDCPEGELWAIHS-VHWMUFPASA-N	-2	2	316.222	-1.367	20	0		DAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)[nH]c(=O)c1F)[C@H](O)C(=O)[O-]	ZINC001229126495	780355512	/nfs/dbraw/zinc/35/55/12/780355512.db2.gz	XXBFYJDLEKOHRA-MVHIGOERSA-N	-2	2	320.185	-1.531	20	0		DAADLL
O=C([O-])C[C@@H](C(=O)Oc1nc(O)cc(=O)[nH]1)[C@H](O)C(=O)[O-]	ZINC001228392896	780347504	/nfs/dbraw/zinc/34/75/04/780347504.db2.gz	VQQQIKWIFDDDSO-NFNCENRGSA-N	-2	2	302.195	-1.670	20	0		DAADLL
O=C([O-])C[C@H](C(=O)Oc1nc(O)cc(=O)[nH]1)[C@@H](O)C(=O)[O-]	ZINC001228392895	780348009	/nfs/dbraw/zinc/34/80/09/780348009.db2.gz	VQQQIKWIFDDDSO-CLTAVNFZSA-N	-2	2	302.195	-1.670	20	0		DAADLL
COc1cc(=O)[nH]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228918062	780352445	/nfs/dbraw/zinc/35/24/45/780352445.db2.gz	LDDCPEGELWAIHS-SPGJFGJESA-N	-2	2	316.222	-1.367	20	0		DAADLL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)[nH]c(=O)c1F)[C@@H](O)C(=O)[O-]	ZINC001229126493	780355471	/nfs/dbraw/zinc/35/54/71/780355471.db2.gz	XXBFYJDLEKOHRA-DUZGATOHSA-N	-2	2	320.185	-1.531	20	0		DAADLL
O=C([O-])C[C@@H](C(=O)Oc1nc(O)cc(=O)[nH]1)[C@@H](O)C(=O)[O-]	ZINC001228392898	780347553	/nfs/dbraw/zinc/34/75/53/780347553.db2.gz	VQQQIKWIFDDDSO-WVBDSBKLSA-N	-2	2	302.195	-1.670	20	0		DAADLL
O=C(Oc1[nH]c(=O)[nH]c(=O)c1F)[C@H](O)COP(=O)([O-])[O-]	ZINC001229124395	780354099	/nfs/dbraw/zinc/35/40/99/780354099.db2.gz	LKFJZPFBCWRLSN-UWTATZPHSA-N	-2	2	314.118	-1.598	20	0		DAADLL