smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000040872814	205082452	/nfs/dbraw/zinc/08/24/52/205082452.db2.gz	QZTDQEVQGQAOKB-CQSZACIVSA-N	-3	3	358.308	2.413	1	0	in-vitro	FEAFHL
O=P([O-])([O-])CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnn[n-]1	ZINC000003981919	204116823	/nfs/dbraw/zinc/11/68/23/204116823.db2.gz	HYXPDXHZGJELSV-ZDUSSCGKSA-N	-3	3	373.309	2.108	1	0		FEAFHL
O=P([O-])([O-])CN[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nn[n-]n1	ZINC000003981919	204116828	/nfs/dbraw/zinc/11/68/28/204116828.db2.gz	HYXPDXHZGJELSV-ZDUSSCGKSA-N	-3	3	373.309	2.108	1	0		FEAFHL
CCOC(=O)n1c2ccccc2c2c1c1c(c(OC)c2[O-])C(=O)[N-]C1=O	ZINC000001654590	204016653	/nfs/dbraw/zinc/01/66/53/204016653.db2.gz	DXBICQVGDKQDDS-UHFFFAOYSA-N	-2	3	354.318	2.397	1	0		FEAFHL
O=C([O-])Cc1ccc2c(c1)C[C@@H](C[N-]S(=O)(=O)c1cccs1)C2	ZINC000027329299	204861577	/nfs/dbraw/zinc/86/15/77/204861577.db2.gz	KVZUBEJESFFPGR-LBPRGKRZSA-N	-2	3	351.449	2.069	1	0		FEAFHL
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CCN(CCc1ccccc1)C2	ZINC000013491484	581101646	/nfs/dbraw/zinc/10/16/46/581101646.db2.gz	ZIMJSFGMHLCHIV-UHFFFAOYSA-N	-2	3	374.418	2.070	1	0		FEAFHL
COc1cc(C[C@H](NCP(=O)([O-])[O-])C(=O)[O-])ccc1-c1ccccc1	ZINC000001538359	204012460	/nfs/dbraw/zinc/01/24/60/204012460.db2.gz	NQRRDOIDNXKLSF-HNNXBMFYSA-N	-3	3	365.322	2.083	1	0		FEAFHL
CC(C)(O)[C@@H](O)Cc1c([O-])cc2occ(-c3ccc(O)cc3)c(=O)c2c1[O-]	ZINC000014819509	560226705	/nfs/dbraw/zinc/22/67/05/560226705.db2.gz	ZTEAOMCBLMDBDX-INIZCTEOSA-N	-2	3	372.373	2.251	1	0	biogenic,in-vitro	FEAFHL
CCSc1cc(=O)c2c([O-])cc([O-])c([C@H]3CCN(C)C[C@@H]3O)c2o1	ZINC000012354904	207365885	/nfs/dbraw/zinc/36/58/85/207365885.db2.gz	MXQMYWXBECXGHZ-ZANVPECISA-N	-2	3	351.424	2.096	1	0		FEAFHL
CCSc1cc(=O)c2c([O-])cc([O-])c([C@@H]3CCN(C)C[C@@H]3O)c2o1	ZINC000012354901	207365291	/nfs/dbraw/zinc/36/52/91/207365291.db2.gz	MXQMYWXBECXGHZ-RNCFNFMXSA-N	-2	3	351.424	2.096	1	0		FEAFHL
CCCn1c([O-])c2[nH]c(-c3ccc4cc(C(=O)[O-])ccc4c3)nc2nc1=O	ZINC000013472997	211035886	/nfs/dbraw/zinc/03/58/86/211035886.db2.gz	GIIWTMHUFYCNCW-UHFFFAOYSA-N	-2	3	364.361	2.341	1	0		FEAFHL
CCCn1c([O-])c2[n-]c(-c3ccc4cc(C(=O)[O-])ccc4c3)nc2nc1=O	ZINC000013472997	211035891	/nfs/dbraw/zinc/03/58/91/211035891.db2.gz	GIIWTMHUFYCNCW-UHFFFAOYSA-N	-3	3	364.361	2.341	1	0		FEAFHL
CC(C)(O)[C@@H](O)Cc1c([O-])cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc12	ZINC000014819532	211102855	/nfs/dbraw/zinc/10/28/55/211102855.db2.gz	ZPPVCMASJXQQMG-INIZCTEOSA-N	-2	3	372.373	2.251	1	0	biogenic,in-vitro	FEAFHL
COC(=O)c1cc(=O)c2c([O-])c([O-])c(-c3ccc(OC)c(O)c3)oc-2c1	ZINC000013383465	211032344	/nfs/dbraw/zinc/03/23/44/211032344.db2.gz	OLRFQFIJODVBCC-UHFFFAOYSA-N	-2	3	358.302	2.372	1	0	biogenic,in-vitro	FEAFHL
O=P([O-])([O-])[C@H](Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-]	ZINC000040872812	205082664	/nfs/dbraw/zinc/08/26/64/205082664.db2.gz	QZTDQEVQGQAOKB-AWEZNQCLSA-N	-3	3	358.308	2.413	1	0	in-vitro	FEAFHL
Cc1c2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])ccc2oc1C(=O)[O-]	ZINC000004873114	207057546	/nfs/dbraw/zinc/05/75/46/207057546.db2.gz	AJAWOIFKHOWNCV-GFCCVEGCSA-N	-2	3	367.379	2.067	3	0		FEAFHL
Cc1c2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])ccc2oc1C(=O)[O-]	ZINC000004873127	207057039	/nfs/dbraw/zinc/05/70/39/207057039.db2.gz	AJAWOIFKHOWNCV-LBPRGKRZSA-N	-2	3	367.379	2.067	3	0		FEAFHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(Cl)cc1Cl	ZINC000101958665	209231801	/nfs/dbraw/zinc/23/18/01/209231801.db2.gz	ILZDKBKYGIHZCG-FUNVUKJBSA-N	-2	3	353.209	2.321	1	0		FEAFHL
Cc1ncc(COP(=O)([O-])[O-])c(CNc2cccc(C(=O)[O-])c2)c1[O-]	ZINC000002047892	210226781	/nfs/dbraw/zinc/22/67/81/210226781.db2.gz	WSOQXCGRIUHULI-UHFFFAOYSA-N	-4	3	368.282	2.015	1	0	in-vitro	FEAFHL
O=C([O-])Cc1nn(Cc2nc3c(cccc3[O-])s2)c(=O)c2ccccc12	ZINC000013860741	211064177	/nfs/dbraw/zinc/06/41/77/211064177.db2.gz	JBAHASJLLAWGNB-UHFFFAOYSA-N	-2	3	367.386	2.387	1	0		FEAFHL
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)c([O-])c1	ZINC000013823382	211062374	/nfs/dbraw/zinc/06/23/74/211062374.db2.gz	YAXWAIVSNHQNLF-BQYQJAHWSA-N	-2	3	365.319	2.106	1	0		FEAFHL
O=c1[nH]c2cccc([C@@H](NCc3ccccc3)P(=O)([O-])[O-])c2[nH]c1=O	ZINC000013440489	211034666	/nfs/dbraw/zinc/03/46/66/211034666.db2.gz	DFZIWVYVVZHQPY-INIZCTEOSA-N	-2	3	361.294	2.007	1	0		FEAFHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(Cl)cc1Cl	ZINC000101958668	222287319	/nfs/dbraw/zinc/28/73/19/222287319.db2.gz	ILZDKBKYGIHZCG-VXGBXAGGSA-N	-2	3	353.209	2.321	1	0		FEAFHL