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-])C1(C(=O)O)CCC2(C1)CCCCCC2	ZINC000027408930	383943206	/nfs/dbraw/zinc/94/32/06/383943206.db2.gz	GVGFPDRYVNARSQ-UHFFFAOYSA-N	-1	2	240.299	2.667	10	0		BFAELM
CCc1c(S)ccc(F)c1/C=C/C(=O)[O-]	ZINC000575701624	384750110	/nfs/dbraw/zinc/75/01/10/384750110.db2.gz	RTNQSKAQULIPTP-ZZXKWVIFSA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1cc(S)c(/C=C/C(=O)[O-])c(C#N)c1	ZINC000575645962	387878008	/nfs/dbraw/zinc/87/80/08/387878008.db2.gz	NRXVQDAFFHFPIF-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
C[C@H]1c2c[nH]c3cccc(c32)S[C@H]1C(=O)[O-]	ZINC000013480036	560217268	/nfs/dbraw/zinc/21/72/68/560217268.db2.gz	DKHFLDXCKWDVMF-UPONEAKYSA-N	-1	2	233.292	2.830	10	0	in-vitro	BFAELM
Nc1cccc(/C=C/c2ccc(O)cc2)[nH+]1	ZINC000149938175	342794526	/nfs/dbraw/zinc/79/45/26/342794526.db2.gz	LOHVGTALVAZTLI-QPJJXVBHSA-N	-1	2	212.252	2.540	10	0		BFAELM
C[C@@H](C(=O)[O-])c1cc(Cl)c(O)c(Cl)c1	ZINC000090765030	384073655	/nfs/dbraw/zinc/07/36/55/384073655.db2.gz	SOGCRMPNVCVPAP-SCSAIBSYSA-N	-1	2	235.066	2.887	10	0		BFAELM
CC(C)CCCCCCO[P@@](=O)([O-])O	ZINC000084403512	384864428	/nfs/dbraw/zinc/86/44/28/384864428.db2.gz	IDXWQJNXMQJTCW-UHFFFAOYSA-N	-1	2	224.237	2.702	10	0		BFAELM
CC(C)CCCCCCO[P@](=O)([O-])O	ZINC000084403512	384864435	/nfs/dbraw/zinc/86/44/35/384864435.db2.gz	IDXWQJNXMQJTCW-UHFFFAOYSA-N	-1	2	224.237	2.702	10	0		BFAELM
CCc1cc(C#N)cc(/C=C/C(=O)[O-])c1S	ZINC000575648665	387885310	/nfs/dbraw/zinc/88/53/10/387885310.db2.gz	WVMVDYQVGPEHKB-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCCC/C(C(=O)[O-])=C(\CCCC)C(=O)O	ZINC000098088418	168587235	/nfs/dbraw/zinc/58/72/35/168587235.db2.gz	DRTFPRNYUARGTQ-KTKRTIGZSA-N	-1	2	228.288	2.833	10	0		BFAELM
CCc1c(S)cc(C#N)cc1/C=C/C(=O)[O-]	ZINC000575644555	386585699	/nfs/dbraw/zinc/58/56/99/386585699.db2.gz	HUPUHOSBRHPJNI-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCc1c(F)cc(/C=C/C(=O)[O-])cc1S	ZINC000575701682	387405258	/nfs/dbraw/zinc/40/52/58/387405258.db2.gz	VIVBFOXRJZSWIR-ONEGZZNKSA-N	-1	2	226.272	2.775	10	0		BFAELM
S=C([S-])Nc1ccccc1Cl	ZINC000006567938	183312916	/nfs/dbraw/zinc/31/29/16/183312916.db2.gz	LKZBCIXJRKZPBB-UHFFFAOYSA-N	-1	2	203.719	2.967	10	0		BFAELM
CCc1c(S)ccc(/C=C/C(=O)[O-])c1F	ZINC000575700317	384735653	/nfs/dbraw/zinc/73/56/53/384735653.db2.gz	AUFAPEQTEYFGMY-GQCTYLIASA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1c(S)cc(/C=C/C(=O)[O-])cc1C#N	ZINC000575644822	386588694	/nfs/dbraw/zinc/58/86/94/386588694.db2.gz	JSLVXFQDZZBFCF-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
O=C([O-])/C=C/c1ccc(Cl)c(O)c1Cl	ZINC000306655591	361861607	/nfs/dbraw/zinc/86/16/07/361861607.db2.gz	YILYFPNPFJNBCM-DUXPYHPUSA-N	-1	2	233.050	2.797	10	0		BFAELM
CCc1c(C#N)ccc(/C=C/C(=O)[O-])c1S	ZINC000575648741	387885158	/nfs/dbraw/zinc/88/51/58/387885158.db2.gz	XOPBMEIPDQUKTN-AATRIKPKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CC(C)(C)C1CCC(CC(=O)O)(C(=O)[O-])CC1	ZINC000082307470	388587119	/nfs/dbraw/zinc/58/71/19/388587119.db2.gz	JJHVWOZPIWMPGG-UHFFFAOYSA-N	-1	2	242.315	2.768	10	0		BFAELM
Cc1ccc(C2=NC(=O)C(C(=O)[O-])S2)cc1	ZINC000107853214	368523267	/nfs/dbraw/zinc/52/32/67/368523267.db2.gz	QGFFUALUHPYUGQ-UHFFFAOYSA-N	-1	2	235.264	2.522	10	0		BFAELM
CCc1cc(/C=C/C(=O)[O-])c(S)cc1F	ZINC000575701617	384750686	/nfs/dbraw/zinc/75/06/86/384750686.db2.gz	RESOKPOIHAYYCV-ONEGZZNKSA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1ccc(S)c(/C=C/C(=O)[O-])c1F	ZINC000575701480	387404774	/nfs/dbraw/zinc/40/47/74/387404774.db2.gz	PYNRJZCWBIGJOL-GQCTYLIASA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1cc(C#N)cc(S)c1/C=C/C(=O)[O-]	ZINC000575646297	387879251	/nfs/dbraw/zinc/87/92/51/387879251.db2.gz	OBDQMCDJGJPMHY-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCc1cc(S)cc(/C=C/C(=O)[O-])c1C#N	ZINC000575647232	387880047	/nfs/dbraw/zinc/88/00/47/387880047.db2.gz	QKGPECSPMFGBDV-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
NNc1nc(-c2ccc(Cl)s2)cs1	ZINC000036162527	343967809	/nfs/dbraw/zinc/96/78/09/343967809.db2.gz	PVAZMUXNXKTBCB-UHFFFAOYSA-N	-1	2	231.733	2.811	10	0		BFAELM
O=C([O-])c1cc2ccccc2cc1S	ZINC000062720879	182560379	/nfs/dbraw/zinc/56/03/79/182560379.db2.gz	XLFFYDFFAKJIEN-UHFFFAOYSA-N	-1	2	204.250	2.827	10	0		BFAELM
CCc1cc(C#N)c(/C=C/C(=O)[O-])cc1S	ZINC000575644051	386582466	/nfs/dbraw/zinc/58/24/66/386582466.db2.gz	FODPYWNXMYOALU-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CC(C)(C)NC(=O)c1cccc(S)c1[S-]	ZINC000584643193	358327987	/nfs/dbraw/zinc/32/79/87/358327987.db2.gz	MVXUKPBCFXOJPO-UHFFFAOYSA-N	-1	2	241.381	2.792	10	0		BFAELM
CC(C)(C)NC(=O)c1cccc([S-])c1S	ZINC000584643193	358327989	/nfs/dbraw/zinc/32/79/89/358327989.db2.gz	MVXUKPBCFXOJPO-UHFFFAOYSA-N	-1	2	241.381	2.792	10	0		BFAELM
CCc1cc(S)cc(F)c1/C=C/C(=O)[O-]	ZINC000575701647	387405818	/nfs/dbraw/zinc/40/58/18/387405818.db2.gz	SOSNNUBTRQARIZ-ONEGZZNKSA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1cc(S)cc(C#N)c1/C=C/C(=O)[O-]	ZINC000575647670	387883432	/nfs/dbraw/zinc/88/34/32/387883432.db2.gz	UAUOLOPIXZSFDI-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCOc1cccc(NC(=S)[S-])c1	ZINC000039100008	170582033	/nfs/dbraw/zinc/58/20/33/170582033.db2.gz	PXXFMHLQMXFDNS-UHFFFAOYSA-N	-1	2	213.327	2.712	10	0		BFAELM
C[C@H](C(=O)[O-])c1cc(Cl)c(O)c(Cl)c1	ZINC000090765028	384073694	/nfs/dbraw/zinc/07/36/94/384073694.db2.gz	SOGCRMPNVCVPAP-BYPYZUCNSA-N	-1	2	235.066	2.887	10	0		BFAELM
CCc1cc(S)c(/C=C/C(=O)[O-])cc1C#N	ZINC000575644446	387871986	/nfs/dbraw/zinc/87/19/86/387871986.db2.gz	GTKVFTGQMAZGMP-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCc1cc(/C=C/C(=O)[O-])c(S)cc1C#N	ZINC000575644870	387877613	/nfs/dbraw/zinc/87/76/13/387877613.db2.gz	JZYIXVVUOANRIJ-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CC(C)c1cc(C(=O)[O-])nn1-c1ccccc1F	ZINC000041300493	167569717	/nfs/dbraw/zinc/56/97/17/167569717.db2.gz	QPTXUAWKVNBBMY-UHFFFAOYSA-N	-1	2	248.257	2.833	10	0		BFAELM
CCc1cc(S)cc(/C=C/C(=O)[O-])c1F	ZINC000575701382	387405055	/nfs/dbraw/zinc/40/50/55/387405055.db2.gz	MVUSUAXOLYMHKA-ONEGZZNKSA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1c(C#N)cc(S)cc1/C=C/C(=O)[O-]	ZINC000575643925	387870920	/nfs/dbraw/zinc/87/09/20/387870920.db2.gz	DKTATDQINPIWKN-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCc1cc(/C=C/C(=O)[O-])c(C#N)cc1S	ZINC000575648548	387883497	/nfs/dbraw/zinc/88/34/97/387883497.db2.gz	URYADFGQJSOOSN-ONEGZZNKSA-N	-1	2	233.292	2.507	10	0		BFAELM
CCc1cc(F)c(/C=C/C(=O)[O-])cc1S	ZINC000575701163	387405194	/nfs/dbraw/zinc/40/51/94/387405194.db2.gz	KANJUMCLCBQCSN-ONEGZZNKSA-N	-1	2	226.272	2.775	10	0		BFAELM
CCc1cc(S)c(/C=C/C(=O)[O-])cc1F	ZINC000575701397	387405682	/nfs/dbraw/zinc/40/56/82/387405682.db2.gz	NOJUYSICYGYZHK-ONEGZZNKSA-N	-1	2	226.272	2.775	10	0		BFAELM
CC(C)c1cc(C(=O)[O-])nn1-c1ccc(F)cc1	ZINC000008700453	167569862	/nfs/dbraw/zinc/56/98/62/167569862.db2.gz	QGMDHFFXOYSWMN-UHFFFAOYSA-N	-1	2	248.257	2.833	10	0		BFAELM