smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NNC(=O)NC[C@@H](C)C(=O)[O-])o1	ZINC000848585019	955755897	/nfs/dbraw/zinc/75/58/97/955755897.db2.gz	KRBNUVXQPOYTIR-ZCFIWIBFSA-N	-1	2	269.257	0.253	20	50		CCGDLM
CCNC(=O)N(C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001596462729	984176801	/nfs/dbraw/zinc/17/68/01/984176801.db2.gz	CWQXREBBAGFJEO-FNORWQNLSA-N	-1	2	281.268	0.684	20	50		CCGDLM
CCCNC(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000826925812	603418159	/nfs/dbraw/zinc/41/81/59/603418159.db2.gz	MFPKAJKLYZPEDO-UHFFFAOYSA-N	-1	2	284.272	0.401	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)C[C@@H](C)NC(=O)[O-])n1	ZINC000829100965	603966846	/nfs/dbraw/zinc/96/68/46/603966846.db2.gz	BTLJNIZEBDSQFZ-ZCFIWIBFSA-N	-1	2	283.288	0.283	20	50		CCGDLM
C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000824867483	604056299	/nfs/dbraw/zinc/05/62/99/604056299.db2.gz	CJOLUGLAWQDNFW-QMMMGPOBSA-N	-1	2	280.284	0.089	20	50		CCGDLM
CC[C@@H](CNC(=O)NNC(=O)c1cccc(C)n1)C(=O)[O-]	ZINC001573797941	960787759	/nfs/dbraw/zinc/78/77/59/960787759.db2.gz	JNUBQILOWUFMQV-VIFPVBQESA-N	-1	2	294.311	0.445	20	50		CCGDLM
C[C@@H](NC(=S)NNC(=O)c1cc(C(=O)[O-])co1)C1CC1	ZINC001593190597	994124164	/nfs/dbraw/zinc/12/41/64/994124164.db2.gz	SCAWBZPXTJVKLI-ZCFIWIBFSA-N	-1	2	297.336	0.885	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)C2CCC2)o1	ZINC000832702301	602912093	/nfs/dbraw/zinc/91/20/93/602912093.db2.gz	OIWLGKVWCHPCCI-UHFFFAOYSA-N	-1	2	281.268	0.608	20	50		CCGDLM
O=C([O-])NCCC(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1	ZINC000834227382	605752420	/nfs/dbraw/zinc/75/24/20/605752420.db2.gz	RCEODPKXFWQASY-UHFFFAOYSA-N	-1	2	296.239	0.408	20	50		CCGDLM
O=C([O-])CSCCC(=O)NNC(=O)c1ccccn1	ZINC000739847129	978656529	/nfs/dbraw/zinc/65/65/29/978656529.db2.gz	VLVXDQIRNOYFKG-UHFFFAOYSA-N	-1	2	283.309	0.051	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)[O-])C2)o1	ZINC000830225677	603797923	/nfs/dbraw/zinc/79/79/23/603797923.db2.gz	SPAUTJWGLNOZTN-VIFPVBQESA-N	-1	2	295.295	0.739	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H](C)NC(=O)[O-])o1	ZINC000830225503	603835537	/nfs/dbraw/zinc/83/55/37/603835537.db2.gz	PVJDLTPGFAVZJT-ZCFIWIBFSA-N	-1	2	255.230	0.005	20	50		CCGDLM
O=C([O-])NNC(=O)c1csc([C@H]2CCCO2)n1	ZINC000834251798	606040510	/nfs/dbraw/zinc/04/05/10/606040510.db2.gz	URDCAVMRNVIVBJ-ZCFIWIBFSA-N	-1	2	257.271	0.907	20	50		CCGDLM
O=C([O-])CCC(=O)NNC(=O)c1nc2ccccc2s1	ZINC001594996625	951086651	/nfs/dbraw/zinc/08/66/51/951086651.db2.gz	CFSYXFRIOWREAH-UHFFFAOYSA-N	-1	2	293.304	0.922	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C2(C(=O)[O-])CC2)o1	ZINC001594346898	958324883	/nfs/dbraw/zinc/32/48/83/958324883.db2.gz	LNAIUSLKCOGIRL-UHFFFAOYSA-N	-1	2	252.226	0.214	20	50		CCGDLM
CC(C)CC(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000824169934	603287043	/nfs/dbraw/zinc/28/70/43/603287043.db2.gz	ARTPMSZWGAZMDV-UHFFFAOYSA-N	-1	2	283.284	0.854	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)o1	ZINC000830225124	603795286	/nfs/dbraw/zinc/79/52/86/603795286.db2.gz	FYTLQLVLADIPRN-RKDXNWHRSA-N	-1	2	295.295	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)[O-])o1	ZINC000830225664	603835643	/nfs/dbraw/zinc/83/56/43/603835643.db2.gz	SIWPWQVGTLWNQE-QMMMGPOBSA-N	-1	2	281.268	0.491	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1	ZINC001594387874	958692740	/nfs/dbraw/zinc/69/27/40/958692740.db2.gz	LXXHMGDQFXBIRD-CYBMUJFWSA-N	-1	2	290.279	0.156	20	50		CCGDLM
O=C([O-])CCCCC(=O)NNC(=O)c1ccccn1	ZINC000205241431	959657687	/nfs/dbraw/zinc/65/76/87/959657687.db2.gz	FMGIKNNIXISRRW-UHFFFAOYSA-N	-1	2	265.269	0.488	20	50		CCGDLM
O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000832277085	603427510	/nfs/dbraw/zinc/42/75/10/603427510.db2.gz	FWLCAELQPXRWNX-BDAKNGLRSA-N	-1	2	292.295	0.279	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCCC(=O)[O-])o1	ZINC000818874962	955425605	/nfs/dbraw/zinc/42/56/05/955425605.db2.gz	PCTIGWOQZXVFFC-UHFFFAOYSA-N	-1	2	255.230	0.007	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCCCN(C)C(=O)[O-])o1	ZINC000830225130	603749154	/nfs/dbraw/zinc/74/91/54/603749154.db2.gz	GCRVTWBJECJWHL-UHFFFAOYSA-N	-1	2	298.299	0.532	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)o1	ZINC001574703010	962688382	/nfs/dbraw/zinc/68/83/82/962688382.db2.gz	YILXHUHXCPFGRA-ZKCHVHJHSA-N	-1	2	281.268	0.395	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)C(=O)[O-])o1	ZINC000832911261	601685429	/nfs/dbraw/zinc/68/54/29/601685429.db2.gz	BOGCICJJMZCORN-UHFFFAOYSA-N	-1	2	283.284	0.643	20	50		CCGDLM
CCC[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(C)o1	ZINC000826759017	603832912	/nfs/dbraw/zinc/83/29/12/603832912.db2.gz	VGERGUZEWQBIFB-MRVPVSSYSA-N	-1	2	283.284	0.785	20	50		CCGDLM
CCc1oc(C(=O)NNC(=O)NCCNC(=O)[O-])cc1C	ZINC000827679966	604482673	/nfs/dbraw/zinc/48/26/73/604482673.db2.gz	HEUJIJRLAIGTJF-UHFFFAOYSA-N	-1	2	298.299	0.362	20	50		CCGDLM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC001588633840	959632496	/nfs/dbraw/zinc/63/24/96/959632496.db2.gz	KZHFYAYBDSFESZ-SECBINFHSA-N	-1	2	279.296	0.590	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)CCCC(=O)[O-])n1	ZINC001327208765	969706525	/nfs/dbraw/zinc/70/65/25/969706525.db2.gz	OVQPYVPRBSQMMY-UHFFFAOYSA-N	-1	2	268.273	0.492	20	50		CCGDLM
O=C([O-])c1ccc(C(=O)NNc2ncc(F)cn2)nc1	ZINC001606478552	973955726	/nfs/dbraw/zinc/95/57/26/973955726.db2.gz	HIKZHJOPQSNRKP-UHFFFAOYSA-N	-1	2	277.215	0.466	20	50		CCGDLM
CCCCNC(=O)NNC(=O)c1cc(C(=O)[O-])ccn1	ZINC001595758653	982462636	/nfs/dbraw/zinc/46/26/36/982462636.db2.gz	FSKDZLZTGGVQGU-UHFFFAOYSA-N	-1	2	280.284	0.524	20	50		CCGDLM
CCc1ncc(C(=O)NNC(=O)CCNC(=O)[O-])s1	ZINC000833865742	605844180	/nfs/dbraw/zinc/84/41/80/605844180.db2.gz	DIZDOBNXQGFYOI-UHFFFAOYSA-N	-1	2	286.313	0.124	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CC2(NC(=O)[O-])CCC2)o1	ZINC000830225690	603795558	/nfs/dbraw/zinc/79/55/58/603795558.db2.gz	UAZGLEARSQFZOZ-UHFFFAOYSA-N	-1	2	295.295	0.929	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CCCCC(=O)[O-])o1	ZINC001594347154	958326935	/nfs/dbraw/zinc/32/69/35/958326935.db2.gz	ZEAGMFLTYSFGBM-UHFFFAOYSA-N	-1	2	268.269	0.994	20	50		CCGDLM
CN(C)C(=O)NNC(=O)c1ccc(C=CC(=O)[O-])o1	ZINC001598139909	990600296	/nfs/dbraw/zinc/60/02/96/990600296.db2.gz	HAZDLTARGFNXHN-XQRVVYSFSA-N	-1	2	267.241	0.293	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C(=O)[O-])C2)o1	ZINC000830225268	603747957	/nfs/dbraw/zinc/74/79/57/603747957.db2.gz	JHNFIIFPUSFPJY-QMMMGPOBSA-N	-1	2	296.283	0.284	20	50		CCGDLM
C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000824867481	604056341	/nfs/dbraw/zinc/05/63/41/604056341.db2.gz	CJOLUGLAWQDNFW-MRVPVSSYSA-N	-1	2	280.284	0.089	20	50		CCGDLM
O=C([O-])[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC001601555621	971015830	/nfs/dbraw/zinc/01/58/30/971015830.db2.gz	APWKBPCITQDRHR-DTWKUNHWSA-N	-1	2	277.280	0.344	20	50		CCGDLM
O=C(NN=c1[nH]cc(F)cc1F)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001594782183	953641360	/nfs/dbraw/zinc/64/13/60/953641360.db2.gz	QRYGWUKHDFOTEN-IAQIWYKVSA-N	-1	2	286.238	0.849	20	50		CCGDLM
O=C([O-])c1cc(NC(=O)NNc2ncc(F)cn2)ccn1	ZINC001574578355	962087849	/nfs/dbraw/zinc/08/78/49/962087849.db2.gz	FUIABQZBTQECPK-UHFFFAOYSA-N	-1	2	292.230	0.858	20	50		CCGDLM
CCCCNC(=O)NNC(=O)c1csc(C(=O)[O-])n1	ZINC001595759859	982467160	/nfs/dbraw/zinc/46/71/60/982467160.db2.gz	RIUYMVYPQQDOOY-UHFFFAOYSA-N	-1	2	286.313	0.585	20	50		CCGDLM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000833149571	600869993	/nfs/dbraw/zinc/86/99/93/600869993.db2.gz	UOILTNSIMFVTOM-VHSXEESVSA-N	-1	2	291.307	0.734	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1	ZINC000832911452	601680483	/nfs/dbraw/zinc/68/04/83/601680483.db2.gz	GGTSQLFAGJTIPO-BQBZGAKWSA-N	-1	2	252.226	0.070	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1	ZINC000832911581	601680607	/nfs/dbraw/zinc/68/06/07/601680607.db2.gz	GGTSQLFAGJTIPO-RQJHMYQMSA-N	-1	2	252.226	0.070	20	50		CCGDLM
O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000832277090	603427391	/nfs/dbraw/zinc/42/73/91/603427391.db2.gz	FWLCAELQPXRWNX-RKDXNWHRSA-N	-1	2	292.295	0.279	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C[C@H](C)NC(=O)[O-])o1	ZINC000830225485	603834090	/nfs/dbraw/zinc/83/40/90/603834090.db2.gz	PQOQOVGWPLPXRF-LURJTMIESA-N	-1	2	269.257	0.395	20	50		CCGDLM
O=C([O-])N[C@@H](CC(=O)NNC(=O)c1ccccn1)C1CC1	ZINC000834125281	605598696	/nfs/dbraw/zinc/59/86/96/605598696.db2.gz	BZPHGPOMIWGEPW-JTQLQIEISA-N	-1	2	292.295	0.279	20	50		CCGDLM
O=C([O-])c1ccnc(NC(=O)NNc2ncc(F)cn2)c1	ZINC001594781982	953640393	/nfs/dbraw/zinc/64/03/93/953640393.db2.gz	MYSSZIJMZDUOQL-UHFFFAOYSA-N	-1	2	292.230	0.858	20	50		CCGDLM
CCCNC(=O)NNC(=O)c1cc(C(=O)[O-])ccn1	ZINC001595926044	983047977	/nfs/dbraw/zinc/04/79/77/983047977.db2.gz	RJFNTJORLVYUOJ-UHFFFAOYSA-N	-1	2	266.257	0.134	20	50		CCGDLM
C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001594643140	986814368	/nfs/dbraw/zinc/81/43/68/986814368.db2.gz	DDFCKAMYGHVISK-XPUUQOCRSA-N	-1	2	282.252	0.164	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)[C@H](C)CC(=O)[O-])n1	ZINC000831972744	602181640	/nfs/dbraw/zinc/18/16/40/602181640.db2.gz	PVHJYZGGUCMAKB-ZCFIWIBFSA-N	-1	2	268.273	0.348	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H](NC(=O)[O-])C(C)C)o1	ZINC000830225697	603833750	/nfs/dbraw/zinc/83/37/50/603833750.db2.gz	UIVVVURZCLGQLV-SECBINFHSA-N	-1	2	283.284	0.641	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])o1	ZINC000830225671	603833816	/nfs/dbraw/zinc/83/38/16/603833816.db2.gz	SMQOJRSAXWWURE-BDAKNGLRSA-N	-1	2	295.295	0.785	20	50		CCGDLM
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccn2)nc1	ZINC001595221092	949250080	/nfs/dbraw/zinc/25/00/80/949250080.db2.gz	YFBYTQRAPAOPHP-UHFFFAOYSA-N	-1	2	286.247	0.250	20	50		CCGDLM
CC[C@H](CNC(=O)NNC(=O)c1ccc(C)o1)C(=O)[O-]	ZINC001589539504	955190385	/nfs/dbraw/zinc/19/03/85/955190385.db2.gz	VKGNPYSYCKVZBS-MRVPVSSYSA-N	-1	2	283.284	0.643	20	50		CCGDLM
CCNC(=O)N(C)NC(=O)c1cc(C(=O)[O-])ccn1	ZINC001596463408	984181423	/nfs/dbraw/zinc/18/14/23/984181423.db2.gz	YRZXUUUUBJCRRT-UHFFFAOYSA-N	-1	2	266.257	0.086	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CCSCC(=O)[O-])o1	ZINC000832912137	601756174	/nfs/dbraw/zinc/75/61/74/601756174.db2.gz	VTHDVTZFHFQZJO-UHFFFAOYSA-N	-1	2	286.309	0.557	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H](C)CN(C)C(=O)[O-])o1	ZINC000830225318	603795229	/nfs/dbraw/zinc/79/52/29/603795229.db2.gz	KJDNTZDLKVOSEA-SSDOTTSWSA-N	-1	2	283.284	0.595	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)[O-])n1	ZINC001594387876	958692113	/nfs/dbraw/zinc/69/21/13/958692113.db2.gz	LXXHMGDQFXBIRD-ZDUSSCGKSA-N	-1	2	290.279	0.156	20	50		CCGDLM
C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001594643139	986814760	/nfs/dbraw/zinc/81/47/60/986814760.db2.gz	DDFCKAMYGHVISK-SVRRBLITSA-N	-1	2	282.252	0.164	20	50		CCGDLM
CC(C)C(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000824043793	603224879	/nfs/dbraw/zinc/22/48/79/603224879.db2.gz	LPDRSMKEHDTSIZ-UHFFFAOYSA-N	-1	2	269.257	0.464	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)o1	ZINC000830225123	603795211	/nfs/dbraw/zinc/79/52/11/603795211.db2.gz	FYTLQLVLADIPRN-IUCAKERBSA-N	-1	2	295.295	0.785	20	50		CCGDLM
CCCNC(=O)NNC(=O)c1csc(C(=O)[O-])n1	ZINC001595925709	983044527	/nfs/dbraw/zinc/04/45/27/983044527.db2.gz	DYWWCUAIVGZNHS-UHFFFAOYSA-N	-1	2	272.286	0.195	20	50		CCGDLM
CN(C)C(=O)NNC(=O)c1ccc(C=CC(=O)[O-])o1	ZINC001598139908	990600596	/nfs/dbraw/zinc/60/05/96/990600596.db2.gz	HAZDLTARGFNXHN-GQCTYLIASA-N	-1	2	267.241	0.293	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H](C)CC(=O)[O-])o1	ZINC000832912302	602198667	/nfs/dbraw/zinc/19/86/67/602198667.db2.gz	ZUEVVYHYJLCYIP-LURJTMIESA-N	-1	2	254.242	0.460	20	50		CCGDLM
O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000832277088	603427529	/nfs/dbraw/zinc/42/75/29/603427529.db2.gz	FWLCAELQPXRWNX-IUCAKERBSA-N	-1	2	292.295	0.279	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CCN(C(=O)[O-])C2)o1	ZINC000830225187	603797739	/nfs/dbraw/zinc/79/77/39/603797739.db2.gz	HXVCXFOOMQJYFI-QMMMGPOBSA-N	-1	2	281.268	0.349	20	50		CCGDLM
O=C([O-])NC1(CC(=O)NNC(=O)c2ccccn2)CCC1	ZINC000832206835	604057492	/nfs/dbraw/zinc/05/74/92/604057492.db2.gz	OBGZAKJGMUVENM-UHFFFAOYSA-N	-1	2	292.295	0.423	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CCCC(=O)[O-])o1	ZINC001594346622	999313406	/nfs/dbraw/zinc/31/34/06/999313406.db2.gz	AAOCHZNGXBTXAC-UHFFFAOYSA-N	-1	2	254.242	0.604	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCC[C@@H](C)NC(=O)[O-])o1	ZINC000830225306	603747619	/nfs/dbraw/zinc/74/76/19/603747619.db2.gz	KEIAGWUOHWNGAY-SSDOTTSWSA-N	-1	2	298.299	0.578	20	50		CCGDLM
O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc2[nH]nnc2c1	ZINC001605820986	972550392	/nfs/dbraw/zinc/55/03/92/972550392.db2.gz	PUQAVPZFJAXVSM-UHFFFAOYSA-N	-1	2	298.262	0.808	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)[C@@H](C)CC(=O)[O-])n1	ZINC000831972743	602181535	/nfs/dbraw/zinc/18/15/35/602181535.db2.gz	PVHJYZGGUCMAKB-LURJTMIESA-N	-1	2	268.273	0.348	20	50		CCGDLM
O=C([O-])N[C@H](CC(=O)NNC(=O)c1ccccn1)C1CC1	ZINC000834125282	605598935	/nfs/dbraw/zinc/59/89/35/605598935.db2.gz	BZPHGPOMIWGEPW-SNVBAGLBSA-N	-1	2	292.295	0.279	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H](C(=O)[O-])C2CC2)o1	ZINC001605252815	973015757	/nfs/dbraw/zinc/01/57/57/973015757.db2.gz	IJDFCYFQPMWHHJ-SECBINFHSA-N	-1	2	266.253	0.460	20	50		CCGDLM
C=C(CCC(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC001588630492	983744385	/nfs/dbraw/zinc/74/43/85/983744385.db2.gz	NSLKAAVIDAAQDE-UHFFFAOYSA-N	-1	2	263.253	0.264	20	50		CCGDLM
C=CCNC(=S)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823510625	604030588	/nfs/dbraw/zinc/03/05/88/604030588.db2.gz	FMGNNYAATVRAFH-UHFFFAOYSA-N	-1	2	298.324	0.342	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)o1	ZINC000830225121	603795029	/nfs/dbraw/zinc/79/50/29/603795029.db2.gz	FYTLQLVLADIPRN-BDAKNGLRSA-N	-1	2	295.295	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)c2ccnc(C(=O)[O-])c2)o1	ZINC000832912005	601755454	/nfs/dbraw/zinc/75/54/54/601755454.db2.gz	PWSBCIDPPYJDOY-UHFFFAOYSA-N	-1	2	289.247	0.756	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2ccoc2)o1	ZINC000832702858	602770224	/nfs/dbraw/zinc/77/02/24/602770224.db2.gz	YUONDBMHXNKUEH-UHFFFAOYSA-N	-1	2	293.235	0.715	20	50		CCGDLM
CCN(CC(=O)NNC(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000827009250	603833192	/nfs/dbraw/zinc/83/31/92/603833192.db2.gz	HDXXSDOSCKZZAL-UHFFFAOYSA-N	-1	2	269.257	0.349	20	50		CCGDLM
C[C@@]1(C(=O)NNC(=O)c2ccccn2)CCN(C(=O)[O-])C1	ZINC000825672384	603859725	/nfs/dbraw/zinc/85/97/25/603859725.db2.gz	DBJSIMVFLPJRTL-CYBMUJFWSA-N	-1	2	292.295	0.233	20	50		CCGDLM
CC(C)(C)C(=O)NNC(=O)c1cc(C(=O)[O-])ccn1	ZINC001589693413	987765948	/nfs/dbraw/zinc/76/59/48/987765948.db2.gz	MIRNDIONEMKSNM-UHFFFAOYSA-N	-1	2	265.269	0.587	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])o1	ZINC000830225672	603834030	/nfs/dbraw/zinc/83/40/30/603834030.db2.gz	SMQOJRSAXWWURE-DTWKUNHWSA-N	-1	2	295.295	0.785	20	50		CCGDLM
O=C([O-])NCC(=O)NNC(=O)c1cccc(Cl)c1O	ZINC000834202861	605451298	/nfs/dbraw/zinc/45/12/98/605451298.db2.gz	FXLNBSRHLHVCCT-UHFFFAOYSA-N	-1	2	287.659	0.074	20	50		CCGDLM
O=C([O-])NCC(=O)NNC(=O)c1nc2ccccc2s1	ZINC000834202964	605454368	/nfs/dbraw/zinc/45/43/68/605454368.db2.gz	IFNZYRHFEZTLBX-UHFFFAOYSA-N	-1	2	294.292	0.325	20	50		CCGDLM
O=C([O-])NNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	ZINC000834250498	605810883	/nfs/dbraw/zinc/81/08/83/605810883.db2.gz	HZFKWTQNPIFVKP-UHFFFAOYSA-N	-1	2	291.223	0.693	20	50		CCGDLM
CC(C)(C)OC(=O)NNC(=O)c1cccc(C(=O)[O-])n1	ZINC001590233120	989609678	/nfs/dbraw/zinc/60/96/78/989609678.db2.gz	PARQENRCXQNWSM-UHFFFAOYSA-N	-1	2	281.268	0.949	20	50		CCGDLM
C[C@]1(C(=O)NNC(=O)c2cc(C(=O)[O-])ccn2)CCCO1	ZINC001593755162	996402010	/nfs/dbraw/zinc/40/20/10/996402010.db2.gz	MCEHAMWBBFBHRN-CYBMUJFWSA-N	-1	2	293.279	0.110	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C[C@@H]2CCCN2C(=O)[O-])o1	ZINC000830225093	603834080	/nfs/dbraw/zinc/83/40/80/603834080.db2.gz	FJJADXCAVLUSIK-VIFPVBQESA-N	-1	2	295.295	0.882	20	50		CCGDLM
O=C([O-])NCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000834202301	605390287	/nfs/dbraw/zinc/39/02/87/605390287.db2.gz	UWGZXJKSORJZOG-UHFFFAOYSA-N	-1	2	282.212	0.018	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)CCC(=O)[O-])n1	ZINC000842649789	969229556	/nfs/dbraw/zinc/22/95/56/969229556.db2.gz	GFHHABAWJIVODM-UHFFFAOYSA-N	-1	2	254.246	0.102	20	50		CCGDLM
C[C@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001594643137	986814285	/nfs/dbraw/zinc/81/42/85/986814285.db2.gz	DDFCKAMYGHVISK-HTRCEHHLSA-N	-1	2	282.252	0.164	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1	ZINC001574356681	961005883	/nfs/dbraw/zinc/00/58/83/961005883.db2.gz	DUYPKFSOHKOVMR-BDAKNGLRSA-N	-1	2	295.295	0.785	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CC(=O)[O-])n1	ZINC001605320347	973154294	/nfs/dbraw/zinc/15/42/94/973154294.db2.gz	HYRMESNJFMRTKE-QMMMGPOBSA-N	-1	2	280.284	0.197	20	50		CCGDLM
O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)c1ccccn1	ZINC000831339739	603210632	/nfs/dbraw/zinc/21/06/32/603210632.db2.gz	KQISEQBEXGJERY-SECBINFHSA-N	-1	2	292.295	0.375	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCCCNC(=O)[O-])o1	ZINC000830225494	603747696	/nfs/dbraw/zinc/74/76/96/603747696.db2.gz	PSHJFEUMYZQYNW-UHFFFAOYSA-N	-1	2	284.272	0.190	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)o1	ZINC000830225166	603795116	/nfs/dbraw/zinc/79/51/16/603795116.db2.gz	HCASOJYKQIVYJV-GFCCVEGCSA-N	-1	2	299.258	0.441	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CSCN2C(=O)[O-])o1	ZINC000830225467	603833789	/nfs/dbraw/zinc/83/37/89/603833789.db2.gz	PFJJGSFVYGDIDB-ZETCQYMHSA-N	-1	2	299.308	0.402	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)C[C@H](C)NC(=O)[O-])n1	ZINC000829100962	603966818	/nfs/dbraw/zinc/96/68/18/603966818.db2.gz	BTLJNIZEBDSQFZ-LURJTMIESA-N	-1	2	283.288	0.283	20	50		CCGDLM
O=C([O-])CCCC(=O)NN=c1[nH]cncc1Cl	ZINC001595027779	951357346	/nfs/dbraw/zinc/35/73/46/951357346.db2.gz	LYGNMUKIOFZRJW-UHFFFAOYSA-N	-1	2	258.665	0.828	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H](C(=O)[O-])C2CC2)o1	ZINC001605252816	973016148	/nfs/dbraw/zinc/01/61/48/973016148.db2.gz	IJDFCYFQPMWHHJ-VIFPVBQESA-N	-1	2	266.253	0.460	20	50		CCGDLM
C=C(CCC(=O)[O-])C(=O)NNc1nc(C)cc(OC)n1	ZINC001588630690	983746113	/nfs/dbraw/zinc/74/61/13/983746113.db2.gz	XIYKKZZWLWCXAJ-UHFFFAOYSA-N	-1	2	280.284	0.658	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H](C)CC(=O)[O-])o1	ZINC000832912308	602198768	/nfs/dbraw/zinc/19/87/68/602198768.db2.gz	ZUEVVYHYJLCYIP-ZCFIWIBFSA-N	-1	2	254.242	0.460	20	50		CCGDLM
CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000823964396	603611064	/nfs/dbraw/zinc/61/10/64/603611064.db2.gz	DCQJRBWIGGUJCY-UHFFFAOYSA-N	-1	2	280.284	0.136	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C2(NC(=O)[O-])CC2)o1	ZINC000830225679	604530776	/nfs/dbraw/zinc/53/07/76/604530776.db2.gz	SVJRYAMWQADPPN-UHFFFAOYSA-N	-1	2	267.241	0.149	20	50		CCGDLM
C[C@@]1(C(=O)NNC(=O)c2cc(C(=O)[O-])ccn2)CCCO1	ZINC001593755163	996402024	/nfs/dbraw/zinc/40/20/24/996402024.db2.gz	MCEHAMWBBFBHRN-ZDUSSCGKSA-N	-1	2	293.279	0.110	20	50		CCGDLM
O=C([O-])NCC(=O)NNC(=O)c1csc(C2CC2)n1	ZINC000834203656	605462062	/nfs/dbraw/zinc/46/20/62/605462062.db2.gz	ZKJVUGSHDJOPGP-UHFFFAOYSA-N	-1	2	284.297	0.049	20	50		CCGDLM
CC(C)(C)C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001589693149	987763956	/nfs/dbraw/zinc/76/39/56/987763956.db2.gz	ADLZKKCCLMCHNM-UHFFFAOYSA-N	-1	2	254.242	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CSCN2C(=O)[O-])o1	ZINC000830225466	603833812	/nfs/dbraw/zinc/83/38/12/603833812.db2.gz	PFJJGSFVYGDIDB-SSDOTTSWSA-N	-1	2	299.308	0.402	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1	ZINC001574389038	961152441	/nfs/dbraw/zinc/15/24/41/961152441.db2.gz	JEIPNPXIMHYTEI-KYZUINATSA-N	-1	2	292.295	0.197	20	50		CCGDLM
C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001594643138	986814632	/nfs/dbraw/zinc/81/46/32/986814632.db2.gz	DDFCKAMYGHVISK-POYBYMJQSA-N	-1	2	282.252	0.164	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])cn2)o1	ZINC000832911696	601680666	/nfs/dbraw/zinc/68/06/66/601680666.db2.gz	KIUNJUZVYSOXSC-UHFFFAOYSA-N	-1	2	289.247	0.756	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)[O-])o1	ZINC000832911453	601680693	/nfs/dbraw/zinc/68/06/93/601680693.db2.gz	GGTSQLFAGJTIPO-NKWVEPMBSA-N	-1	2	252.226	0.070	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CCCNC(=O)[O-])o1	ZINC000830224883	603833768	/nfs/dbraw/zinc/83/37/68/603833768.db2.gz	BYTNNYRFLLBPSE-UHFFFAOYSA-N	-1	2	269.257	0.397	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCCN2C(=O)[O-])o1	ZINC000830225462	603835585	/nfs/dbraw/zinc/83/55/85/603835585.db2.gz	PCIRXRCWMZOVHN-VIFPVBQESA-N	-1	2	295.295	0.882	20	50		CCGDLM
O=C([O-])c1cccc(CC(=O)NNC(=O)c2ccccn2)c1	ZINC000833765586	604664136	/nfs/dbraw/zinc/66/41/36/604664136.db2.gz	HEDTZXPGWPFKRD-UHFFFAOYSA-N	-1	2	299.286	0.784	20	50		CCGDLM
O=C([O-])c1cncc(NC(=O)NNc2ncc(F)cn2)c1	ZINC001594782221	953642987	/nfs/dbraw/zinc/64/29/87/953642987.db2.gz	SSLANROIVIHAEV-UHFFFAOYSA-N	-1	2	292.230	0.858	20	50		CCGDLM
C[C@H](CC(=O)[O-])CC(=O)NNC(=O)c1ccccn1	ZINC001592391143	977935289	/nfs/dbraw/zinc/93/52/89/977935289.db2.gz	CTYHDRBPCBISLF-QMMMGPOBSA-N	-1	2	265.269	0.344	20	50		CCGDLM
C[C@H](CC(=O)[O-])CC(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC001592391909	977940437	/nfs/dbraw/zinc/94/04/37/977940437.db2.gz	SQPKAFCNEPKTLU-LURJTMIESA-N	-1	2	278.272	0.297	20	50		CCGDLM
C[C@@]1(C(=O)NNC(=O)c2cc(C(=O)[O-])co2)CCCO1	ZINC001593755159	996402062	/nfs/dbraw/zinc/40/20/62/996402062.db2.gz	LTVIWLJCJCTTBS-LBPRGKRZSA-N	-1	2	282.252	0.308	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H](C)CN(C)C(=O)[O-])o1	ZINC000830225322	603794994	/nfs/dbraw/zinc/79/49/94/603794994.db2.gz	KJDNTZDLKVOSEA-ZETCQYMHSA-N	-1	2	283.284	0.595	20	50		CCGDLM
CC(C)c1ocnc1C(=O)NNC(=O)CCCNC(=O)[O-]	ZINC000833800360	605974636	/nfs/dbraw/zinc/97/46/36/605974636.db2.gz	WGONRADKVUPUFG-UHFFFAOYSA-N	-1	2	298.299	0.607	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NC[C@H](C)C(=O)[O-])o1	ZINC000848585012	955755558	/nfs/dbraw/zinc/75/55/58/955755558.db2.gz	KRBNUVXQPOYTIR-LURJTMIESA-N	-1	2	269.257	0.253	20	50		CCGDLM
C[C@H](NC(=S)NNC(=O)c1cc(C(=O)[O-])co1)C1CC1	ZINC001593190596	994124453	/nfs/dbraw/zinc/12/44/53/994124453.db2.gz	SCAWBZPXTJVKLI-LURJTMIESA-N	-1	2	297.336	0.885	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC001599394172	997094099	/nfs/dbraw/zinc/09/40/99/997094099.db2.gz	DMOUJJGEASQUOF-OCAPTIKFSA-N	-1	2	280.284	0.348	20	50		CCGDLM
CCNC(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000827257594	603414505	/nfs/dbraw/zinc/41/45/05/603414505.db2.gz	ZNGKBFHZYGHXSC-UHFFFAOYSA-N	-1	2	270.245	0.011	20	50		CCGDLM
O=C([O-])COCC(=O)NNc1nc(C(F)(F)F)cs1	ZINC001606272811	973646266	/nfs/dbraw/zinc/64/62/66/973646266.db2.gz	JNDNKCDLUNOZMH-UHFFFAOYSA-N	-1	2	299.230	0.706	20	50		CCGDLM
O=C([O-])COCC(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC001606272811	973646269	/nfs/dbraw/zinc/64/62/69/973646269.db2.gz	JNDNKCDLUNOZMH-UHFFFAOYSA-N	-1	2	299.230	0.706	20	50		CCGDLM
CC(C)C(=O)NNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC001590939483	990976184	/nfs/dbraw/zinc/97/61/84/990976184.db2.gz	WKGFIVHPIUZSQG-GQCTYLIASA-N	-1	2	266.253	0.794	20	50		CCGDLM
COC(=O)N(C)NC(=O)c1csc(C(=O)[O-])n1	ZINC001598876488	996766171	/nfs/dbraw/zinc/76/61/71/996766171.db2.gz	XDWLFPQMZCBQJL-UHFFFAOYSA-N	-1	2	259.243	0.184	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1	ZINC001594346697	999313261	/nfs/dbraw/zinc/31/32/61/999313261.db2.gz	BUFKJSATQKCWMY-DTWKUNHWSA-N	-1	2	280.280	0.850	20	50		CCGDLM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000833149569	600870140	/nfs/dbraw/zinc/87/01/40/600870140.db2.gz	UOILTNSIMFVTOM-NXEZZACHSA-N	-1	2	291.307	0.734	20	50		CCGDLM
O=C([O-])c1cc(C(=O)NNC(=O)c2ccccn2)ccn1	ZINC000833149695	601270153	/nfs/dbraw/zinc/27/01/53/601270153.db2.gz	YZHQDEBRWLVCEL-UHFFFAOYSA-N	-1	2	286.247	0.250	20	50		CCGDLM
O=C([O-])NCCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000834227765	605752362	/nfs/dbraw/zinc/75/23/62/605752362.db2.gz	LSPZYVBFUBNOCY-UHFFFAOYSA-N	-1	2	296.239	0.408	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C2(CC(=O)[O-])CCC2)o1	ZINC001605252798	973016119	/nfs/dbraw/zinc/01/61/19/973016119.db2.gz	GYHOQDLGXXJYDA-UHFFFAOYSA-N	-1	2	280.280	0.994	20	50		CCGDLM
O=C([O-])NCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000834201590	605384708	/nfs/dbraw/zinc/38/47/08/605384708.db2.gz	LQKXQVQVDBVNMI-UHFFFAOYSA-N	-1	2	282.212	0.018	20	50		CCGDLM
CCOC(=O)c1cnc(NNC(=O)[C@H](C)C(=O)[O-])nc1C	ZINC001591268711	951102483	/nfs/dbraw/zinc/10/24/83/951102483.db2.gz	KZWZVTOPBCQLBH-LURJTMIESA-N	-1	2	296.283	0.126	20	50		CCGDLM
CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccccn1	ZINC000016482127	957099567	/nfs/dbraw/zinc/09/95/67/957099567.db2.gz	CBTMSYCZOIHPKN-UHFFFAOYSA-N	-1	2	279.296	0.734	20	50		CCGDLM
C=CCNC(=S)NNC(=O)c1csc(C(=O)[O-])n1	ZINC001573369128	963092382	/nfs/dbraw/zinc/09/23/82/963092382.db2.gz	XGUGTJCEQYMNMS-UHFFFAOYSA-N	-1	2	286.338	0.136	20	50		CCGDLM
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccn2)cn1	ZINC001605815569	972545230	/nfs/dbraw/zinc/54/52/30/972545230.db2.gz	OCZUIGJHAATDIT-UHFFFAOYSA-N	-1	2	286.247	0.250	20	50		CCGDLM
CCNC(=O)N(C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001596462726	984176826	/nfs/dbraw/zinc/17/68/26/984176826.db2.gz	CWQXREBBAGFJEO-ALCCZGGFSA-N	-1	2	281.268	0.684	20	50		CCGDLM
CC(C)(C)NC(=S)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001589832076	988305147	/nfs/dbraw/zinc/30/51/47/988305147.db2.gz	NWFOXBXAOCPRCF-UHFFFAOYSA-N	-1	2	285.325	0.885	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCCN2C(=O)[O-])o1	ZINC000830225461	603835607	/nfs/dbraw/zinc/83/56/07/603835607.db2.gz	PCIRXRCWMZOVHN-SECBINFHSA-N	-1	2	295.295	0.882	20	50		CCGDLM
O=C([O-])C(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC000309665978	950684943	/nfs/dbraw/zinc/68/49/43/950684943.db2.gz	HVRXNEXLUKSPMO-UHFFFAOYSA-N	-1	2	255.177	0.690	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CSCC(=O)[O-])o1	ZINC000818874848	955425432	/nfs/dbraw/zinc/42/54/32/955425432.db2.gz	GCTPANMYVSTMCD-UHFFFAOYSA-N	-1	2	272.282	0.167	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C2(C(=O)[O-])CC=CC2)o1	ZINC001605252785	973014892	/nfs/dbraw/zinc/01/48/92/973014892.db2.gz	FQMNHKSTTRIOGI-UHFFFAOYSA-N	-1	2	278.264	0.770	20	50		CCGDLM
CCNC(=O)N(C)NC(=O)c1cc(C(=O)[O-])co1	ZINC001596462882	984177506	/nfs/dbraw/zinc/17/75/06/984177506.db2.gz	JIVNBJHDZZKILO-UHFFFAOYSA-N	-1	2	255.230	0.284	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1	ZINC000832911577	601680699	/nfs/dbraw/zinc/68/06/99/601680699.db2.gz	GGTSQLFAGJTIPO-RNFRBKRXSA-N	-1	2	252.226	0.070	20	50		CCGDLM
CCN(CCNC(=O)NNC(=O)c1ccc(C)o1)C(=O)[O-]	ZINC000827146264	603747008	/nfs/dbraw/zinc/74/70/08/603747008.db2.gz	NQIDLAVAQMXARN-UHFFFAOYSA-N	-1	2	298.299	0.532	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C(C)(C)NC(=O)[O-])o1	ZINC000830225328	603834097	/nfs/dbraw/zinc/83/40/97/603834097.db2.gz	KRLXIYUQLTXJSL-UHFFFAOYSA-N	-1	2	269.257	0.395	20	50		CCGDLM
O=C([O-])c1cccc(C(=O)NNC(=O)c2ccccn2)c1	ZINC000821549828	955519648	/nfs/dbraw/zinc/51/96/48/955519648.db2.gz	UBDWXLKAGFSWHK-UHFFFAOYSA-N	-1	2	285.259	0.855	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C2(NC(=O)[O-])CCCC2)o1	ZINC000830224877	603832862	/nfs/dbraw/zinc/83/28/62/603832862.db2.gz	BNBNZUKWGIMFKG-UHFFFAOYSA-N	-1	2	295.295	0.929	20	50		CCGDLM
O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000831735890	605136868	/nfs/dbraw/zinc/13/68/68/605136868.db2.gz	DKQCWDTWPCXLAC-VIFPVBQESA-N	-1	2	292.295	0.233	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCC[C@H](C)NC(=O)[O-])o1	ZINC000830225308	603747997	/nfs/dbraw/zinc/74/79/97/603747997.db2.gz	KEIAGWUOHWNGAY-ZETCQYMHSA-N	-1	2	298.299	0.578	20	50		CCGDLM
O=C([O-])NCCC(=O)NN=Cc1ccc(O)c([N+](=O)[O-])c1	ZINC000834227500	605749911	/nfs/dbraw/zinc/74/99/11/605749911.db2.gz	VWNGPLAHDAWERY-UHFFFAOYSA-N	-1	2	296.239	0.408	20	50		CCGDLM
C=C(CCC(=O)[O-])C(=O)NNC(=O)c1cccc(C)n1	ZINC001588630037	983740870	/nfs/dbraw/zinc/74/08/70/983740870.db2.gz	BFWSNNUYPPBVBC-UHFFFAOYSA-N	-1	2	277.280	0.572	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)NCC2CC2)o1	ZINC000832702584	603415607	/nfs/dbraw/zinc/41/56/07/603415607.db2.gz	UBLWIYKNFMHSDF-UHFFFAOYSA-N	-1	2	296.283	0.401	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)o1	ZINC000830225167	603795073	/nfs/dbraw/zinc/79/50/73/603795073.db2.gz	HCASOJYKQIVYJV-LBPRGKRZSA-N	-1	2	299.258	0.441	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)CC(C)(C)NC(=O)[O-])n1	ZINC000829102168	603967172	/nfs/dbraw/zinc/96/71/72/603967172.db2.gz	VADMLHPKZVZARB-UHFFFAOYSA-N	-1	2	297.315	0.673	20	50		CCGDLM
O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2ccco2)C1	ZINC000831736205	605511253	/nfs/dbraw/zinc/51/12/53/605511253.db2.gz	IJHQNHGSRDDLCX-QMMMGPOBSA-N	-1	2	281.268	0.431	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)[O-])o1	ZINC000821064123	955490072	/nfs/dbraw/zinc/49/00/72/955490072.db2.gz	VVQLBAHVJYPOGW-GFCCVEGCSA-N	-1	2	279.252	0.354	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)C2CCCC2)o1	ZINC000832702552	603318281	/nfs/dbraw/zinc/31/82/81/603318281.db2.gz	ROYCRZLPMLEGEV-UHFFFAOYSA-N	-1	2	295.295	0.998	20	50		CCGDLM
CC(C)(C)C(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823755289	603338698	/nfs/dbraw/zinc/33/86/98/603338698.db2.gz	YJWRFXHQCZZVDZ-UHFFFAOYSA-N	-1	2	283.284	0.854	20	50		CCGDLM
Cc1cc(C(=O)NNC(=O)NCCNC(=O)[O-])oc1C	ZINC000829961217	605485878	/nfs/dbraw/zinc/48/58/78/605485878.db2.gz	CUWFJCLOMLTOAX-UHFFFAOYSA-N	-1	2	284.272	0.108	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@](C)(C#N)CC(=O)[O-])o1	ZINC000821064124	955489662	/nfs/dbraw/zinc/48/96/62/955489662.db2.gz	VVQLBAHVJYPOGW-LBPRGKRZSA-N	-1	2	279.252	0.354	20	50		CCGDLM
O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000832277086	603427584	/nfs/dbraw/zinc/42/75/84/603427584.db2.gz	FWLCAELQPXRWNX-DTWKUNHWSA-N	-1	2	292.295	0.279	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)o1	ZINC000830225264	603748049	/nfs/dbraw/zinc/74/80/49/603748049.db2.gz	JHNFIIFPUSFPJY-MRVPVSSYSA-N	-1	2	296.283	0.284	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)o1	ZINC000830225676	603797896	/nfs/dbraw/zinc/79/78/96/603797896.db2.gz	SPAUTJWGLNOZTN-SECBINFHSA-N	-1	2	295.295	0.739	20	50		CCGDLM
C[C@@H](CN(C)C(=O)[O-])C(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC000824869332	604223147	/nfs/dbraw/zinc/22/31/47/604223147.db2.gz	WMEFWMMLDSVISW-LURJTMIESA-N	-1	2	293.287	0.042	20	50		CCGDLM
CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC001588633843	959632795	/nfs/dbraw/zinc/63/27/95/959632795.db2.gz	KZHFYAYBDSFESZ-VIFPVBQESA-N	-1	2	279.296	0.590	20	50		CCGDLM
C=C[C@H](NNC(=O)C(F)(F)Oc1ccccc1)C(=O)[O-]	ZINC001588699960	983908881	/nfs/dbraw/zinc/90/88/81/983908881.db2.gz	BJNKZQUEMXRLOP-VIFPVBQESA-N	-1	2	286.234	0.918	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CN(CC2CC2)C(=O)[O-])o1	ZINC000830225158	603833808	/nfs/dbraw/zinc/83/38/08/603833808.db2.gz	GRZICQHWKPGQHN-UHFFFAOYSA-N	-1	2	295.295	0.739	20	50		CCGDLM
O=C([O-])NCC(=O)NNC(=O)c1cnc(C2CC2)s1	ZINC000834203330	605458887	/nfs/dbraw/zinc/45/88/87/605458887.db2.gz	QSPODABUGHXTDR-UHFFFAOYSA-N	-1	2	284.297	0.049	20	50		CCGDLM
CC(C)(CC(=O)[O-])CC(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC000833455794	605709078	/nfs/dbraw/zinc/70/90/78/605709078.db2.gz	UMXSUSGYVIEAQD-UHFFFAOYSA-N	-1	2	292.299	0.687	20	50		CCGDLM
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)[O-])o1	ZINC001596462907	984177578	/nfs/dbraw/zinc/17/75/78/984177578.db2.gz	KLAGWURDCDGNMT-UHFFFAOYSA-N	-1	2	255.230	0.284	20	50		CCGDLM
O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000833149570	600870128	/nfs/dbraw/zinc/87/01/28/600870128.db2.gz	UOILTNSIMFVTOM-UWVGGRQHSA-N	-1	2	291.307	0.734	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCCN(C)C(=O)[O-])o1	ZINC000830225479	603747827	/nfs/dbraw/zinc/74/78/27/603747827.db2.gz	PQFGFQNSDUCZJU-UHFFFAOYSA-N	-1	2	284.272	0.142	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])o1	ZINC000830225674	603833773	/nfs/dbraw/zinc/83/37/73/603833773.db2.gz	SMQOJRSAXWWURE-RKDXNWHRSA-N	-1	2	295.295	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CC(C)(C)NC(=O)[O-])o1	ZINC000830225280	603795472	/nfs/dbraw/zinc/79/54/72/603795472.db2.gz	JOQVMFUGLARGLG-UHFFFAOYSA-N	-1	2	283.284	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C[C@@H](C)NC(=O)[O-])o1	ZINC000830225486	603833784	/nfs/dbraw/zinc/83/37/84/603833784.db2.gz	PQOQOVGWPLPXRF-ZCFIWIBFSA-N	-1	2	269.257	0.395	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)o1	ZINC000830224857	603835476	/nfs/dbraw/zinc/83/54/76/603835476.db2.gz	AXUANOYOGPZCDD-ZDUSSCGKSA-N	-1	2	295.295	0.739	20	50		CCGDLM
C[C@]1(C(=O)NNC(=O)c2ccccn2)CCN(C(=O)[O-])C1	ZINC000825672386	603859458	/nfs/dbraw/zinc/85/94/58/603859458.db2.gz	DBJSIMVFLPJRTL-ZDUSSCGKSA-N	-1	2	292.295	0.233	20	50		CCGDLM
O=C([O-])NCC(=O)NNC(=O)C(F)(F)c1ccccc1	ZINC000834202028	605451434	/nfs/dbraw/zinc/45/14/34/605451434.db2.gz	QKVJHXZWPHNVTD-UHFFFAOYSA-N	-1	2	287.222	0.193	20	50		CCGDLM
CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000823850101	605567853	/nfs/dbraw/zinc/56/78/53/605567853.db2.gz	MCXDUUFKPFYXLQ-SECBINFHSA-N	-1	2	294.311	0.525	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCCCC(=O)[O-])o1	ZINC000818875013	955425522	/nfs/dbraw/zinc/42/55/22/955425522.db2.gz	ZPXZPERDOXATFK-UHFFFAOYSA-N	-1	2	269.257	0.397	20	50		CCGDLM
O=C([O-])C1(C(=O)NNC(=O)c2ccccn2)CC=CC1	ZINC001605814887	972540981	/nfs/dbraw/zinc/54/09/81/972540981.db2.gz	ZDDXOQZEUYMFEI-UHFFFAOYSA-N	-1	2	275.264	0.264	20	50		CCGDLM
CCNC(=O)N(C)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000843328866	979338752	/nfs/dbraw/zinc/33/87/52/979338752.db2.gz	PSZIRRACBAZBBG-UHFFFAOYSA-N	-1	2	266.257	0.086	20	50		CCGDLM
C[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc(C(=O)[O-])ccn2)O1	ZINC001599906999	984936731	/nfs/dbraw/zinc/93/67/31/984936731.db2.gz	YJNCOAFWUAIQQW-XVKPBYJWSA-N	-1	2	293.279	0.108	20	50		CCGDLM
CC(C)(C)C(=O)NNC(=O)c1csc(C(=O)[O-])n1	ZINC001589693447	987767093	/nfs/dbraw/zinc/76/70/93/987767093.db2.gz	OECNFSHQNMKPTA-UHFFFAOYSA-N	-1	2	271.298	0.648	20	50		CCGDLM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000833149572	600870085	/nfs/dbraw/zinc/87/00/85/600870085.db2.gz	UOILTNSIMFVTOM-ZJUUUORDSA-N	-1	2	291.307	0.734	20	50		CCGDLM
CC(C)NC(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000824375167	603428017	/nfs/dbraw/zinc/42/80/17/603428017.db2.gz	XSCNNDURDDINRZ-UHFFFAOYSA-N	-1	2	284.272	0.400	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C2(C(=O)[O-])CCC2)o1	ZINC001594346884	958324199	/nfs/dbraw/zinc/32/41/99/958324199.db2.gz	JTOSEUKGKOKLRN-UHFFFAOYSA-N	-1	2	266.253	0.604	20	50		CCGDLM
CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(C)o1	ZINC000827525011	603832920	/nfs/dbraw/zinc/83/29/20/603832920.db2.gz	VQFXICGERFUILG-ZETCQYMHSA-N	-1	2	269.257	0.395	20	50		CCGDLM
O=C([O-])NCC(=O)NN=Cc1ccc([N+](=O)[O-])c(O)c1	ZINC000834200861	605389159	/nfs/dbraw/zinc/38/91/59/605389159.db2.gz	BWFIWPVQOSMJED-UHFFFAOYSA-N	-1	2	282.212	0.018	20	50		CCGDLM
Cc1cc(C(=O)NNC(=O)[O-])nn1-c1cccc(C#N)c1	ZINC000833897987	605772287	/nfs/dbraw/zinc/77/22/87/605772287.db2.gz	ILRCLVXKMJDWAA-UHFFFAOYSA-N	-1	2	285.263	0.965	20	50		CCGDLM
CCOC(=O)c1cnc(NNC(=O)[C@@H](C)C(=O)[O-])nc1C	ZINC001591268712	951103077	/nfs/dbraw/zinc/10/30/77/951103077.db2.gz	KZWZVTOPBCQLBH-ZCFIWIBFSA-N	-1	2	296.283	0.126	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)NC[C@H](C)C(=O)[O-])n1	ZINC000848587315	955757206	/nfs/dbraw/zinc/75/72/06/955757206.db2.gz	IMIISNUZPZYXMO-ZETCQYMHSA-N	-1	2	280.284	0.055	20	50		CCGDLM
CCCCNC(=O)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000826841742	603414418	/nfs/dbraw/zinc/41/44/18/603414418.db2.gz	BCAJBPGWHDCXMP-UHFFFAOYSA-N	-1	2	298.299	0.791	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)[O-])C(C)C)o1	ZINC000830225698	603833910	/nfs/dbraw/zinc/83/39/10/603833910.db2.gz	UIVVVURZCLGQLV-VIFPVBQESA-N	-1	2	283.284	0.641	20	50		CCGDLM
O=C([O-])NCCCCC(=O)NNC(=O)c1ccccn1	ZINC000834234477	605900024	/nfs/dbraw/zinc/90/00/24/605900024.db2.gz	RGADYCNETIYYCI-UHFFFAOYSA-N	-1	2	280.284	0.281	20	50		CCGDLM
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccn2)cc1	ZINC000821544217	955516648	/nfs/dbraw/zinc/51/66/48/955516648.db2.gz	KOWBKFOKHWHVKS-UHFFFAOYSA-N	-1	2	285.259	0.855	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)NC[C@@H](C)C(=O)[O-])n1	ZINC000848587314	955757848	/nfs/dbraw/zinc/75/78/48/955757848.db2.gz	IMIISNUZPZYXMO-SSDOTTSWSA-N	-1	2	280.284	0.055	20	50		CCGDLM
C[C@]1(C(=O)NNC(=O)c2cc(C(=O)[O-])co2)CCCO1	ZINC001593755158	996401929	/nfs/dbraw/zinc/40/19/29/996401929.db2.gz	LTVIWLJCJCTTBS-GFCCVEGCSA-N	-1	2	282.252	0.308	20	50		CCGDLM
O=C([O-])N(CC(=O)NNC(=O)c1ccccn1)CC1CC1	ZINC000831464231	603210284	/nfs/dbraw/zinc/21/02/84/603210284.db2.gz	OWVIIMOQUBSEDO-UHFFFAOYSA-N	-1	2	292.295	0.233	20	50		CCGDLM
CC(C)(CNC(=O)[O-])C(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC000823964402	603799763	/nfs/dbraw/zinc/79/97/63/603799763.db2.gz	DHJJAADTRYQIDQ-UHFFFAOYSA-N	-1	2	293.287	0.090	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CC2CN(C(=O)[O-])C2)o1	ZINC000830225018	603835438	/nfs/dbraw/zinc/83/54/38/603835438.db2.gz	DTFLGDUNLWEOMY-UHFFFAOYSA-N	-1	2	281.268	0.349	20	50		CCGDLM
CC(=NNC(=O)NCC(=O)[O-])c1cc([N+](=O)[O-])ccc1O	ZINC000833384097	605586396	/nfs/dbraw/zinc/58/63/96/605586396.db2.gz	BJGCFYSSVRXHIV-UHFFFAOYSA-N	-1	2	296.239	0.408	20	50		CCGDLM
O=C([O-])NNC(=O)c1csc([C@@H]2CCCO2)n1	ZINC000834251797	606040616	/nfs/dbraw/zinc/04/06/16/606040616.db2.gz	URDCAVMRNVIVBJ-LURJTMIESA-N	-1	2	257.271	0.907	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1	ZINC001605252762	973014643	/nfs/dbraw/zinc/01/46/43/973014643.db2.gz	BUFKJSATQKCWMY-BDAKNGLRSA-N	-1	2	280.280	0.850	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)o1	ZINC000830225122	603795190	/nfs/dbraw/zinc/79/51/90/603795190.db2.gz	FYTLQLVLADIPRN-DTWKUNHWSA-N	-1	2	295.295	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])o1	ZINC000830225673	603833675	/nfs/dbraw/zinc/83/36/75/603833675.db2.gz	SMQOJRSAXWWURE-IUCAKERBSA-N	-1	2	295.295	0.785	20	50		CCGDLM
C=C[C@@H](NNC(=O)C(F)(F)Oc1ccccc1)C(=O)[O-]	ZINC001588699959	983909173	/nfs/dbraw/zinc/90/91/73/983909173.db2.gz	BJNKZQUEMXRLOP-SECBINFHSA-N	-1	2	286.234	0.918	20	50		CCGDLM
O=C([O-])N1CCC[C@H]1CC(=O)NNC(=O)c1ccccn1	ZINC000831339740	603210340	/nfs/dbraw/zinc/21/03/40/603210340.db2.gz	KQISEQBEXGJERY-VIFPVBQESA-N	-1	2	292.295	0.375	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)C2CC2)o1	ZINC000832702789	603222886	/nfs/dbraw/zinc/22/28/86/603222886.db2.gz	WWZGYVBJIDRYNJ-UHFFFAOYSA-N	-1	2	267.241	0.218	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CCNC(=O)[O-])o1	ZINC000830224915	603798112	/nfs/dbraw/zinc/79/81/12/603798112.db2.gz	CXOOSGJTHHKOQH-UHFFFAOYSA-N	-1	2	255.230	0.007	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)C[C@H]2CCCN2C(=O)[O-])o1	ZINC000830225092	603833720	/nfs/dbraw/zinc/83/37/20/603833720.db2.gz	FJJADXCAVLUSIK-SECBINFHSA-N	-1	2	295.295	0.882	20	50		CCGDLM
CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000824299263	605567668	/nfs/dbraw/zinc/56/76/68/605567668.db2.gz	AYACPMQUEMGABW-JTQLQIEISA-N	-1	2	294.311	0.525	20	50		CCGDLM
COc1cc(C)nc(NNC(=O)CSCC(=O)[O-])n1	ZINC000818560146	955402490	/nfs/dbraw/zinc/40/24/90/955402490.db2.gz	XILHMEVMLQLAJZ-UHFFFAOYSA-N	-1	2	286.313	0.055	20	50		CCGDLM
CO[C@H](C(=O)[O-])C(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC001593911266	955966406	/nfs/dbraw/zinc/96/64/06/955966406.db2.gz	JPWOGINGNWUWNC-BYPYZUCNSA-N	-1	2	299.230	0.705	20	50		CCGDLM
C[C@@H](CC(=O)[O-])CC(=O)NNC(=O)c1ccccn1	ZINC001592391142	977935204	/nfs/dbraw/zinc/93/52/04/977935204.db2.gz	CTYHDRBPCBISLF-MRVPVSSYSA-N	-1	2	265.269	0.344	20	50		CCGDLM
C[C@@H](CC(=O)[O-])CC(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC001592391911	977940616	/nfs/dbraw/zinc/94/06/16/977940616.db2.gz	SQPKAFCNEPKTLU-ZCFIWIBFSA-N	-1	2	278.272	0.297	20	50		CCGDLM
COC(=O)N(C)NC(=O)c1ccc(C(=O)[O-])cn1	ZINC001598875813	996761720	/nfs/dbraw/zinc/76/17/20/996761720.db2.gz	MUIBSQDNDUMJEE-UHFFFAOYSA-N	-1	2	253.214	0.123	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)o1	ZINC000832702192	603246861	/nfs/dbraw/zinc/24/68/61/603246861.db2.gz	LCUNZCPDJQSNTH-UHFFFAOYSA-N	-1	2	292.251	0.450	20	50		CCGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)NC2CC2)o1	ZINC000832701639	603415963	/nfs/dbraw/zinc/41/59/63/603415963.db2.gz	BPURHTQEVFBGKR-UHFFFAOYSA-N	-1	2	282.256	0.154	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)CCCN(C)C(=O)[O-])o1	ZINC000830225440	603834058	/nfs/dbraw/zinc/83/40/58/603834058.db2.gz	OMQCKAXRCWDDIX-UHFFFAOYSA-N	-1	2	283.284	0.739	20	50		CCGDLM
C[C@H](CN(C)C(=O)[O-])C(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC000824869333	604223232	/nfs/dbraw/zinc/22/32/32/604223232.db2.gz	WMEFWMMLDSVISW-ZCFIWIBFSA-N	-1	2	293.287	0.042	20	50		CCGDLM
O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2ccco2)C1	ZINC000831736203	605511482	/nfs/dbraw/zinc/51/14/82/605511482.db2.gz	IJHQNHGSRDDLCX-MRVPVSSYSA-N	-1	2	281.268	0.431	20	50		CCGDLM
CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000736376784	978327775	/nfs/dbraw/zinc/32/77/75/978327775.db2.gz	XMMWAIZAVZRCGG-VIFPVBQESA-N	-1	2	280.284	0.135	20	50		CCGDLM
CC(C)(CC(=O)NN=c1[nH]cnc2nc[nH]c21)NC(=O)[O-]	ZINC000823881115	603640331	/nfs/dbraw/zinc/64/03/31/603640331.db2.gz	BMTOJUCFUPOCLN-UHFFFAOYSA-N	-1	2	293.287	0.232	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)[O-])o1	ZINC000830225500	603833829	/nfs/dbraw/zinc/83/38/29/603833829.db2.gz	PVJDLTPGFAVZJT-LURJTMIESA-N	-1	2	255.230	0.005	20	50		CCGDLM
O=C([O-])CCCC(=O)NN=c1[nH]cnc2nc[nH]c21	ZINC001595027661	951353574	/nfs/dbraw/zinc/35/35/74/951353574.db2.gz	BZEBYYOKPVTWBF-UHFFFAOYSA-N	-1	2	264.245	0.051	20	50		CCGDLM
CC[C@@H](CNC(=O)NNC(=O)c1ccc(C)o1)C(=O)[O-]	ZINC001589539505	955190731	/nfs/dbraw/zinc/19/07/31/955190731.db2.gz	VKGNPYSYCKVZBS-QMMMGPOBSA-N	-1	2	283.284	0.643	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCCCCC(=O)[O-])o1	ZINC000821064055	955487875	/nfs/dbraw/zinc/48/78/75/955487875.db2.gz	NHCGGNJXURVUNP-UHFFFAOYSA-N	-1	2	283.284	0.787	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])nc2)o1	ZINC000832911211	601680520	/nfs/dbraw/zinc/68/05/20/601680520.db2.gz	ABWGQKYMVVFQDM-UHFFFAOYSA-N	-1	2	289.247	0.756	20	50		CCGDLM
CO[C@@H](C(=O)[O-])C(=O)NN=c1[nH]c(C(F)(F)F)cs1	ZINC001593911267	955966079	/nfs/dbraw/zinc/96/60/79/955966079.db2.gz	JPWOGINGNWUWNC-SCSAIBSYSA-N	-1	2	299.230	0.705	20	50		CCGDLM
CC[C@H](CNC(=O)NNC(=O)c1cccc(C)n1)C(=O)[O-]	ZINC001573797940	960788011	/nfs/dbraw/zinc/78/80/11/960788011.db2.gz	JNUBQILOWUFMQV-SECBINFHSA-N	-1	2	294.311	0.445	20	50		CCGDLM
Cc1cccc(C(=O)NNC(=O)N[C@H](C)CC(=O)[O-])n1	ZINC001605320346	973154167	/nfs/dbraw/zinc/15/41/67/973154167.db2.gz	HYRMESNJFMRTKE-MRVPVSSYSA-N	-1	2	280.284	0.197	20	50		CCGDLM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccn1	ZINC000736376781	978327620	/nfs/dbraw/zinc/32/76/20/978327620.db2.gz	XMMWAIZAVZRCGG-SECBINFHSA-N	-1	2	280.284	0.135	20	50		CCGDLM
O=C([O-])c1cccc(C(=O)NNC(=O)C2CCC2)n1	ZINC000740215524	978672811	/nfs/dbraw/zinc/67/28/11/978672811.db2.gz	XRUDZJSTQADCLC-UHFFFAOYSA-N	-1	2	263.253	0.341	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@@H]2CCN(C(=O)[O-])C2)o1	ZINC000830225186	603795154	/nfs/dbraw/zinc/79/51/54/603795154.db2.gz	HXVCXFOOMQJYFI-MRVPVSSYSA-N	-1	2	281.268	0.349	20	50		CCGDLM
O=C([O-])C1(C(=O)NNC(=O)c2ccccn2)CCC1	ZINC001594779503	953616449	/nfs/dbraw/zinc/61/64/49/953616449.db2.gz	SHIFZMPKBMPXSO-UHFFFAOYSA-N	-1	2	263.253	0.098	20	50		CCGDLM
CN(CCCC(=O)NNC(=O)c1ccccn1)C(=O)[O-]	ZINC000737426218	978406182	/nfs/dbraw/zinc/40/61/82/978406182.db2.gz	ABGJUFLSJQZDOF-UHFFFAOYSA-N	-1	2	280.284	0.233	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)NCC(C)(C)NC(=O)[O-])o1	ZINC000830225147	603749606	/nfs/dbraw/zinc/74/96/06/603749606.db2.gz	GOHSCNRHVLMRGQ-UHFFFAOYSA-N	-1	2	298.299	0.578	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)[O-])o1	ZINC000830225663	603835735	/nfs/dbraw/zinc/83/57/35/603835735.db2.gz	SIWPWQVGTLWNQE-MRVPVSSYSA-N	-1	2	281.268	0.491	20	50		CCGDLM
O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2ccccn2)C1	ZINC000831735889	605137295	/nfs/dbraw/zinc/13/72/95/605137295.db2.gz	DKQCWDTWPCXLAC-SECBINFHSA-N	-1	2	292.295	0.233	20	50		CCGDLM
O=C([O-])Cn1ccc(NC(=O)NNc2ncc(F)cn2)n1	ZINC001595152055	952142157	/nfs/dbraw/zinc/14/21/57/952142157.db2.gz	YXWAPLVKNWFDFA-UHFFFAOYSA-N	-1	2	295.234	0.045	20	50		CCGDLM
CCCNC(=O)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001595925887	983046112	/nfs/dbraw/zinc/04/61/12/983046112.db2.gz	NIXWVRTZHJLBPA-UHFFFAOYSA-N	-1	2	255.230	0.332	20	50		CCGDLM
CC(C)C(=O)NNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC001590939484	990976106	/nfs/dbraw/zinc/97/61/06/990976106.db2.gz	WKGFIVHPIUZSQG-XQRVVYSFSA-N	-1	2	266.253	0.794	20	50		CCGDLM
O=C([O-])c1ccc(C(=O)NNc2ncc(F)cn2)[nH]1	ZINC001574965465	983292186	/nfs/dbraw/zinc/29/21/86/983292186.db2.gz	WWBHWHXLQPGRSH-UHFFFAOYSA-N	-1	2	265.204	0.399	20	50		CCGDLM
CCC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(C)o1	ZINC000826759018	603832981	/nfs/dbraw/zinc/83/29/81/603832981.db2.gz	VGERGUZEWQBIFB-QMMMGPOBSA-N	-1	2	283.284	0.785	20	50		CCGDLM
Cc1ccc(C(=O)NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)o1	ZINC000830224856	603835923	/nfs/dbraw/zinc/83/59/23/603835923.db2.gz	AXUANOYOGPZCDD-CYBMUJFWSA-N	-1	2	295.295	0.739	20	50		CCGDLM
CCCNC(=O)NNC(=O)c1cccc(C(=O)[O-])n1	ZINC001595925761	983045695	/nfs/dbraw/zinc/04/56/95/983045695.db2.gz	KCDYMHQXKGGRQQ-UHFFFAOYSA-N	-1	2	266.257	0.134	20	50		CCGDLM
C=CCNC(=S)NNC(=O)c1cc(C(=O)[O-])co1	ZINC001588845492	984363195	/nfs/dbraw/zinc/36/31/95/984363195.db2.gz	RFYDCHPTPOMAKC-UHFFFAOYSA-N	-1	2	269.282	0.273	20	50		CCGDLM