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-])CC[C@H](NC(=O)c1ccc(C=C2SC(=S)NC2=O)cc1)C(=O)[O-]	ZINC000043059456	205082470	/nfs/dbraw/zinc/08/24/70/205082470.db2.gz	WTDHGQVHFUZGJX-QBQSQJOESA-N	-2	0	394.430	2.064	1	0		GEAFRL
COc1ccc2c(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cccc2c1Br	ZINC000028382130	204874727	/nfs/dbraw/zinc/87/47/27/204874727.db2.gz	AFEMNOBCNGDBOB-LLVKDONJSA-N	-2	0	396.193	2.269	1	0		GEAFRL
Cc1c(NC(=O)c2c(C(=O)[O-])cccc2C(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000064548911	222074115	/nfs/dbraw/zinc/07/41/15/222074115.db2.gz	QZKNZEFDNAXKNI-UHFFFAOYSA-N	-2	0	395.371	2.133	1	0		GEAFRL
O=C([O-])CC[C@H](NC(=O)c1cccc(C=C2SC(=S)NC2=O)c1)C(=O)[O-]	ZINC000072179254	205317172	/nfs/dbraw/zinc/31/71/72/205317172.db2.gz	SCUUCAIGDKOBHG-QBQSQJOESA-N	-2	0	394.430	2.064	1	0		GEAFRL
COc1ccc2c(C(=O)N(CC(=O)[O-])CC(=O)[O-])cccc2c1C(F)(F)F	ZINC000028380526	204874008	/nfs/dbraw/zinc/87/40/08/204874008.db2.gz	XSRPNVSTSJFCLR-UHFFFAOYSA-N	-2	0	385.294	2.479	1	0		GEAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(C(=O)OCc2ccccc2)s1	ZINC000066111526	222137677	/nfs/dbraw/zinc/13/76/77/222137677.db2.gz	SSEXBHDKTBGKPE-UHFFFAOYSA-N	-2	0	380.318	2.145	1	0		GEAFRL
Nc1cccc2c1nc(-c1ccc(P(=O)([O-])[O-])o1)n2Cc1cccc(O)c1	ZINC000045335014	205096254	/nfs/dbraw/zinc/09/62/54/205096254.db2.gz	KVMRWXCAEUMEKD-UHFFFAOYSA-N	-2	0	385.316	2.435	1	0		GEAFRL
CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1OCC(=O)[O-]	ZINC000014965099	207034182	/nfs/dbraw/zinc/03/41/82/207034182.db2.gz	WJXABXZRNKBCSN-UHFFFAOYSA-N	-2	0	397.380	2.351	1	0		GEAFRL
COc1cccc(CN2CCc3c(sc(NC(=O)C(=O)[O-])c3C(=O)[O-])C2)c1	ZINC000013491478	581099473	/nfs/dbraw/zinc/09/94/73/581099473.db2.gz	CEOJCMQCQZMARJ-UHFFFAOYSA-N	-2	0	390.417	2.036	1	0		GEAFRL
CCCCCC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])cc1)C(=O)NCC(=O)[O-]	ZINC000026747926	207320014	/nfs/dbraw/zinc/32/00/14/207320014.db2.gz	HSRYIADSGUXYNL-ONOODXEBSA-N	-2	0	390.436	2.054	1	0		GEAFRL
C[C@@H](NC(=O)OCc1ccccc1)[P@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000096902439	208327716	/nfs/dbraw/zinc/32/77/16/208327716.db2.gz	PBRHWMMNEISHGS-AAEUAGOBSA-N	-3	0	387.325	2.095	1	0		GEAFRL
O=C([O-])c1sc(Br)c(Br)c1OCc1nnn[n-]1	ZINC000028886770	207351352	/nfs/dbraw/zinc/35/13/52/207351352.db2.gz	NLPCWORVKRHQFL-UHFFFAOYSA-N	-2	0	384.009	2.063	1	0		GEAFRL
COc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc(=O)n(-c2ccccc2F)[n-]1	ZINC000095556360	208231881	/nfs/dbraw/zinc/23/18/81/208231881.db2.gz	FYWIDMUFZJDGBW-AWEZNQCLSA-N	-2	0	399.378	2.259	1	0		GEAFRL
C/C(=C\C=C\[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(O)CCC(C(=O)[O-])=CC3)C(=O)[O-]	ZINC000095910338	291112292	/nfs/dbraw/zinc/11/22/92/291112292.db2.gz	QPFFEVMIQIJTGZ-KLPWQYALSA-N	-2	0	376.405	2.211	1	0	biogenic,in-vitro	GEAFRL
COc1cc([O-])c2c(=O)c(C)c(-c3ccc(OS(=O)(=O)[O-])c(O)c3)oc2c1	ZINC000095914689	291115954	/nfs/dbraw/zinc/11/59/54/291115954.db2.gz	NAGJYYVZDYLMBA-UHFFFAOYSA-N	-2	0	394.357	2.370	1	0	biogenic,in-vitro	GEAFRL
Cn1cc(C[C@H](C(=O)[O-])N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c2ccccc21	ZINC000013815970	221290474	/nfs/dbraw/zinc/29/04/74/221290474.db2.gz	RRZZQDKNPVPQGW-QGZVFWFLSA-N	-2	0	392.367	2.168	1	0		GEAFRL
O=C([O-])C(=O)C[C@H](CCC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000040429342	221923913	/nfs/dbraw/zinc/92/39/13/221923913.db2.gz	FDMSUFMIVDNICF-KRWDZBQOSA-N	-2	0	397.427	2.460	1	0		GEAFRL
COC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)([O-])[O-])o2)cc1	ZINC000066112055	222137828	/nfs/dbraw/zinc/13/78/28/222137828.db2.gz	ATWWSFMWLREEAU-UHFFFAOYSA-N	-2	0	380.318	2.242	1	0		GEAFRL
NC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1	ZINC000029047767	581100564	/nfs/dbraw/zinc/10/05/64/581100564.db2.gz	DTMNLXGNQMRBKO-UHFFFAOYSA-N	-2	0	381.069	2.323	1	0		GEAFRL
O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[C@H](Cc1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000012501665	221200135	/nfs/dbraw/zinc/20/01/35/221200135.db2.gz	FFYBYVPVYLMLAR-KBPBESRZSA-N	-2	0	386.356	2.331	1	0	in-vivo	GEAFRL
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-]	ZINC000013779472	221288372	/nfs/dbraw/zinc/28/83/72/221288372.db2.gz	CSHRDCHVKHPXQK-UHFFFAOYSA-N	-2	0	398.304	2.424	1	0		GEAFRL
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2=O	ZINC000013815966	221291073	/nfs/dbraw/zinc/29/10/73/221291073.db2.gz	ZLCMJIUSWSBZAU-MRXNPFEDSA-N	-2	0	378.340	2.158	1	0		GEAFRL