smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(cc1Cl)SC(=C([O-])c1ccccc1)[N-]S2(=O)=O	ZINC000040834878	205082809	/nfs/dbraw/zinc/08/28/09/205082809.db2.gz	SKNLYQOSTABMNF-HNNXBMFYSA-N	-2	3	353.852	3.241	1	0		FGAFHL
CC1(C)Oc2c3c(c(O)cc2O)-c2oc4cc([O-])cc([O-])c4c(=O)c2C[C@@H]31	ZINC000013373252	291067416	/nfs/dbraw/zinc/06/74/16/291067416.db2.gz	SISHCMQQUDFHIG-VIFPVBQESA-N	-2	3	368.341	3.093	1	0	biogenic,in-vitro	FGAFHL
O=C(CSc1nc2ccccc2s1)Nc1cc(C(=O)[O-])ccc1[O-]	ZINC000103181464	206233233	/nfs/dbraw/zinc/23/32/33/206233233.db2.gz	REYUTKDRNSTSJO-UHFFFAOYSA-N	-2	3	360.416	3.431	1	0		FGAFHL
C/C(=C\Cc1cc(-c2coc3cc([O-])cc([O-])c3c2=O)ccc1O)CO	ZINC000040862338	208271953	/nfs/dbraw/zinc/27/19/53/208271953.db2.gz	NEQDXCVCMNDZJU-BIIKFXOESA-N	-2	3	354.358	3.058	1	0		FGAFHL
CC[C@@H](C)[C@H](NC(=O)c1c[n-]c2cc(C(F)(F)F)ccc2c1=O)C(=O)[O-]	ZINC000103185637	209247271	/nfs/dbraw/zinc/24/72/71/209247271.db2.gz	DAFHPZNUFFGPKP-OQPBUACISA-N	-2	3	370.327	3.188	1	0		FGAFHL
CC1(C)Oc2c3c(c(O)cc2O)-c2oc4cc([O-])cc([O-])c4c(=O)c2C[C@H]31	ZINC000013373251	560215292	/nfs/dbraw/zinc/21/52/92/560215292.db2.gz	SISHCMQQUDFHIG-SECBINFHSA-N	-2	3	368.341	3.093	1	0	in-vitro	FGAFHL
CNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc(OC)cc1	ZINC000004617891	581097369	/nfs/dbraw/zinc/09/73/69/581097369.db2.gz	KRRWEDJIVLDJJK-UHFFFAOYSA-N	-2	3	373.796	3.177	1	0		FGAFHL
CC(=O)c1c([O-])n(O)c2cc(NC(=O)Nc3cccc(C(=O)[O-])c3)ccc21	ZINC000013493893	211036047	/nfs/dbraw/zinc/03/60/47/211036047.db2.gz	AWEOKSFHCOKLMC-UHFFFAOYSA-N	-2	3	369.333	3.129	1	0		FGAFHL
COc1c(=O)c(C)c([O-])c2c([O-])c3c(oc1-2)[C@H](OC)Oc1ccccc1-3	ZINC000096917841	222139851	/nfs/dbraw/zinc/13/98/51/222139851.db2.gz	JWYNDRGBQXDNPV-LJQANCHMSA-N	-2	3	356.330	3.226	1	0		FGAFHL
CC(C)(C)OC(=O)N[C@@H](Cc1c(Cl)cc([O-])cc1Cl)C(=O)[O-]	ZINC000059135621	221125387	/nfs/dbraw/zinc/12/53/87/221125387.db2.gz	IFTMGFWLRDDHFF-NSHDSACASA-N	-2	3	350.198	3.219	1	0		FGAFHL
CC(C)[N-]C(=S)SCC(CSC(=S)[N-]C(C)C)CN(C)C	ZINC000103292639	222331325	/nfs/dbraw/zinc/33/13/25/222331325.db2.gz	SYHXPPMHJZFFKH-UHFFFAOYSA-N	-2	3	367.675	3.196	1	0		FGAFHL
CC(C)(O)CCc1cc(-c2coc3cc([O-])cc([O-])c3c2=O)ccc1O	ZINC000014819488	560226682	/nfs/dbraw/zinc/22/66/82/560226682.db2.gz	BWCOGZMVRBYAKY-UHFFFAOYSA-N	-2	3	356.374	3.280	1	0	in-vitro	FGAFHL
COc1[n-]c([O-])c(C(=O)C(c2ccccc2)c2ccccc2)c(=O)c1OC	ZINC000049033032	205168079	/nfs/dbraw/zinc/16/80/79/205168079.db2.gz	AUNYARXEWYHZQE-UHFFFAOYSA-N	-2	3	365.385	3.113	1	0		FGAFHL
C/C(=C\Cc1c([O-])cc2occ(-c3ccc(O)cc3)c(=O)c2c1[O-])CO	ZINC000012362120	560211691	/nfs/dbraw/zinc/21/16/91/560211691.db2.gz	AROTXIUFXQZGLT-BIIKFXOESA-N	-2	3	354.358	3.058	1	0	biogenic,in-vitro	FGAFHL
COc1ccc(-c2oc3cc(OC)c(OC)c(=O)c-3c([O-])c2[O-])cc1C	ZINC000070454440	291072198	/nfs/dbraw/zinc/07/21/98/291072198.db2.gz	ACMJXJPDWRQIPO-UHFFFAOYSA-N	-2	3	358.346	3.205	1	0	biogenic,in-vitro	FGAFHL
COc1ccc2ccc(=O)oc2c1Oc1c([O-])cc([O-])c2ccc(=O)oc21	ZINC000013378572	291072914	/nfs/dbraw/zinc/07/29/14/291072914.db2.gz	UOWOBKCJCCNEOP-UHFFFAOYSA-N	-2	3	368.297	3.112	1	0	biogenic,in-vitro	FGAFHL
Cc1cc2c(cc1Cl)SC(=C([O-])c1ccccc1)[N-]S2(=O)=O	ZINC000040834876	205083257	/nfs/dbraw/zinc/08/32/57/205083257.db2.gz	SKNLYQOSTABMNF-OAHLLOKOSA-N	-2	3	353.852	3.241	1	0		FGAFHL
CC1(C)CCc2c([O-])c(C(=O)C=C([O-])c3ccccc3)c([O-])c(C=O)c2O1	ZINC000066098811	205364659	/nfs/dbraw/zinc/36/46/59/205364659.db2.gz	RLEDGWYUBXDJHB-UHFFFAOYSA-N	-3	3	368.385	3.470	1	0		FGAFHL
CC(C)C[C@H](NC(=O)c1c[n-]c2cc(C(F)(F)F)ccc2c1=O)C(=O)[O-]	ZINC000103185639	209246370	/nfs/dbraw/zinc/24/63/70/209246370.db2.gz	STKFBZCVZANFPI-ZDUSSCGKSA-N	-2	3	370.327	3.188	1	0		FGAFHL
CCOc1cccc2cc(-c3nc4cc(C(=O)[O-])ccc4[n-]3)c(=O)oc21	ZINC000006917836	207177514	/nfs/dbraw/zinc/17/75/14/207177514.db2.gz	AQHLJZXNDKKGCG-UHFFFAOYSA-N	-2	3	350.330	3.433	1	0		FGAFHL
COc1cc(Oc2oc3c(C)c([O-])c(C)c([O-])c3c(=O)c2OC)ccc1O	ZINC000095486283	291071387	/nfs/dbraw/zinc/07/13/87/291071387.db2.gz	WBBWHVAVJHTHKC-UHFFFAOYSA-N	-2	3	374.345	3.336	1	0	biogenic,in-vitro	FGAFHL
COc1c(=O)c(C)c([O-])c2c([O-])c3c(oc1-2)[C@@H](OC)Oc1ccccc1-3	ZINC000096917843	209161137	/nfs/dbraw/zinc/16/11/37/209161137.db2.gz	JWYNDRGBQXDNPV-IBGZPJMESA-N	-2	3	356.330	3.226	1	0		FGAFHL
O=P([O-])([O-])[C@@H](CCCc1ccc(-c2ccccc2)cc1)S(=O)(=O)[O-]	ZINC000013746356	220092359	/nfs/dbraw/zinc/09/23/59/220092359.db2.gz	XIIYQLCRTNBXRS-MRXNPFEDSA-N	-3	3	370.363	3.068	1	0		FGAFHL
CC(C)=CCc1ccc([O-])c(C(=O)c2c([O-])cc(C)c(O)c2C=O)c1[O-]	ZINC000013373313	220065442	/nfs/dbraw/zinc/06/54/42/220065442.db2.gz	CZDJEEIZTUDKDU-UHFFFAOYSA-N	-3	3	356.374	3.370	1	0		FGAFHL
CCCCCc1cc(OC(=O)c2ccc([O-])cc2O)cc(O)c1C(=O)[O-]	ZINC000103299761	222333585	/nfs/dbraw/zinc/33/35/85/222333585.db2.gz	TXPYGGOFOZOYOX-UHFFFAOYSA-N	-2	3	360.362	3.454	1	0		FGAFHL
O=c1[nH]c2cc(-c3ccc(Cl)cc3)cc(CP(=O)([O-])[O-])c2[nH]c1=O	ZINC000013440448	220066606	/nfs/dbraw/zinc/06/66/06/220066606.db2.gz	BOHNVYNMBZWQNB-UHFFFAOYSA-N	-2	3	366.697	3.039	1	0		FGAFHL