smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)c([O-])c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cccc2c1Cl	ZINC000095914220	291198156	/nfs/dbraw/zinc/19/81/56/291198156.db2.gz	FARVADBFLOKZOE-LIWZRNGRSA-N	-1	0	405.230	1.339	1	0	biogenic,in-vitro	HDAFRM
C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(O)c-3c2=O)O[C@@]1(C)CCO	ZINC000085595322	291187552	/nfs/dbraw/zinc/18/75/52/291187552.db2.gz	MKEYVPAWAVBPHB-SYOCAYEVSA-N	-1	0	404.415	1.945	1	0	biogenic,in-vitro	HDAFRM
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)C1CC1	ZINC000027736353	581097591	/nfs/dbraw/zinc/09/75/91/581097591.db2.gz	RVJGZMJRZCICFV-QXAKKESOSA-N	-1	0	415.490	1.057	1	0		HDAFRM
O=C1[N-]C(=O)[C@]2(CCS(=O)(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1	ZINC000028960229	581099554	/nfs/dbraw/zinc/09/95/54/581099554.db2.gz	GCZMDMHHGVIXIT-UHFFFAOYSA-N	-1	0	420.378	1.498	1	0		HDAFRM
CNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c2ncccc21	ZINC000034820438	581099900	/nfs/dbraw/zinc/09/99/00/581099900.db2.gz	MUFNUVZUWISNGN-UHFFFAOYSA-N	-1	0	411.393	1.113	1	0		HDAFRM
C[C@@H]1O[C@H](Oc2cc([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c23)[C@H](O)[C@H](O)[C@H]1O	ZINC000085487703	291198001	/nfs/dbraw/zinc/19/80/01/291198001.db2.gz	SRJBAQYSUSHTFE-PSEYTLPESA-N	-1	0	416.382	1.078	1	0	biogenic,in-vitro	HDAFRM
CCOCCC1(Nc2ccc(Oc3ccc(F)cc3)nc2)C(=O)[N-]C(=O)NC1=O	ZINC000052637048	581095827	/nfs/dbraw/zinc/09/58/27/581095827.db2.gz	OVQQZYABPYQSFZ-UHFFFAOYSA-N	-1	0	402.382	1.956	1	0		HDAFRM
O=C(NCc1ccc(F)cc1)c1nc([C@@H]2CC(=O)NC(=O)N2)c2cccnc2c1[O-]	ZINC000028528071	581101846	/nfs/dbraw/zinc/10/18/46/581101846.db2.gz	WFUUYLPFCWILPL-ZDUSSCGKSA-N	-1	0	409.377	1.675	1	0		HDAFRM
C[C@@H]1O[C@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014854159	291197989	/nfs/dbraw/zinc/19/79/89/291197989.db2.gz	DCURCHSUQXPCGS-FKXPPBEWSA-N	-1	0	416.382	1.078	1	0	biogenic,in-vitro	HDAFRM
O=C([O-])C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825325	581096437	/nfs/dbraw/zinc/09/64/37/581096437.db2.gz	PZDSHWRUHRGIEY-HRCADAONSA-N	-1	0	408.426	1.970	1	0		HDAFRM
CCc1c(C(=O)C(N)=O)c2c(cccc2CC(=O)[O-])n1S(=O)(=O)c1ccccc1	ZINC000027560185	581094374	/nfs/dbraw/zinc/09/43/74/581094374.db2.gz	FLQYETKTQPYBTK-UHFFFAOYSA-N	-1	0	414.439	1.736	1	0		HDAFRM
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)CC	ZINC000003933033	581097503	/nfs/dbraw/zinc/09/75/03/581097503.db2.gz	QONGHRWGVXIVSE-KFKAGJAMSA-N	-1	0	403.479	1.057	1	0		HDAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2C(=O)C5)CC1	ZINC000013600108	536417788	/nfs/dbraw/zinc/41/77/88/536417788.db2.gz	LNVMDFCXPPZOGM-UHFFFAOYSA-N	-1	0	401.419	1.842	1	0		HDAFRM
C[C@@H]1O[C@@H](Oc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014811696	560226393	/nfs/dbraw/zinc/22/63/93/560226393.db2.gz	QBHNFPJUSZDRKX-MOMNEUHASA-N	-1	0	416.382	1.078	1	0	in-vitro	HDAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825324	581096388	/nfs/dbraw/zinc/09/63/88/581096388.db2.gz	PZDSHWRUHRGIEY-XHSDSOJGSA-N	-1	0	408.426	1.970	1	0		HDAFRM
O=C(NCc1ccc(F)cc1)c1nc([C@H]2CC(=O)NC(=O)N2)c2cccnc2c1[O-]	ZINC000028528072	581101726	/nfs/dbraw/zinc/10/17/26/581101726.db2.gz	WFUUYLPFCWILPL-CYBMUJFWSA-N	-1	0	409.377	1.675	1	0		HDAFRM
C[C@@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013370550	291197984	/nfs/dbraw/zinc/19/79/84/291197984.db2.gz	DCURCHSUQXPCGS-COOCPZLMSA-N	-1	0	416.382	1.078	1	0	biogenic,in-vitro	HDAFRM
C[C@H]1O[C@@H](Oc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014811698	560226510	/nfs/dbraw/zinc/22/65/10/560226510.db2.gz	QBHNFPJUSZDRKX-WAJXAFKISA-N	-1	0	416.382	1.078	1	0	in-vitro	HDAFRM
O=C([O-])C[C@@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825323	581096391	/nfs/dbraw/zinc/09/63/91/581096391.db2.gz	PZDSHWRUHRGIEY-ARFHVFGLSA-N	-1	0	408.426	1.970	1	0		HDAFRM
CN1Cc2csc3c(C(=O)[O-])c(=O)c4cc(F)c(N5CCO[C@@H](CO)C5)c1c4n23	ZINC000003775614	132268843	/nfs/dbraw/zinc/26/88/43/132268843.db2.gz	FJOOXEVIFLMMTR-SNVBAGLBSA-N	-1	0	419.434	1.499	1	0		HDAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825326	581096384	/nfs/dbraw/zinc/09/63/84/581096384.db2.gz	PZDSHWRUHRGIEY-JYJNAYRXSA-N	-1	0	408.426	1.970	1	0		HDAFRM