smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCCNC(=O)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000735472841	944664818	/nfs/dbraw/zinc/66/48/18/944664818.db2.gz	BBTYPWQJOOOSPF-UHFFFAOYSA-N	-1	1	393.408	-0.546	20	50		GBGDMM
CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735636006	944681515	/nfs/dbraw/zinc/68/15/15/944681515.db2.gz	MGJOEICFHJWFDY-UHFFFAOYSA-N	-1	1	391.392	-0.270	20	50		GBGDMM
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)o1	ZINC000735939282	944720054	/nfs/dbraw/zinc/72/00/54/944720054.db2.gz	MWWFCMRNZYJVMU-UHFFFAOYSA-N	-1	1	385.348	-0.494	20	50		GBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cn2cnc3c2ncnc3N)o1	ZINC000735940453	944724787	/nfs/dbraw/zinc/72/47/87/944724787.db2.gz	ZOEZUHGBERQWOJ-UHFFFAOYSA-N	-1	1	384.364	-0.157	20	50		GBGDMM
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1	ZINC000737173095	944977200	/nfs/dbraw/zinc/97/72/00/944977200.db2.gz	GIPJHPPESVPCMM-UHFFFAOYSA-N	-1	1	387.381	-0.260	20	50		GBGDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NNC(=O)c1cnn(C)c1	ZINC000737201447	944982308	/nfs/dbraw/zinc/98/23/08/944982308.db2.gz	SHINUSYXOMEOLY-UHFFFAOYSA-N	-1	1	385.388	-0.289	20	50		GBGDMM
Cc1[nH]nc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-]	ZINC000737201600	944982208	/nfs/dbraw/zinc/98/22/08/944982208.db2.gz	HSZXSTHRGLXETC-UHFFFAOYSA-N	-1	1	387.316	-0.354	20	50		GBGDMM
Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000737213674	945006039	/nfs/dbraw/zinc/00/60/39/945006039.db2.gz	VPJCWHKEAUWTKI-HQIZRNBFSA-N	-1	1	395.387	-0.466	20	50		GBGDMM
Cc1c(C=C(C#N)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000737213675	945007074	/nfs/dbraw/zinc/00/70/74/945007074.db2.gz	VPJCWHKEAUWTKI-KKNAONHISA-N	-1	1	395.387	-0.466	20	50		GBGDMM
Cc1c(C=C(C#N)C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000737213676	945005212	/nfs/dbraw/zinc/00/52/12/945005212.db2.gz	VPJCWHKEAUWTKI-PTJCHJMSSA-N	-1	1	395.387	-0.466	20	50		GBGDMM
Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc(-c2nn[nH]n2)n1C	ZINC000737213677	945006315	/nfs/dbraw/zinc/00/63/15/945006315.db2.gz	VPJCWHKEAUWTKI-ZRVMKQEGSA-N	-1	1	395.387	-0.466	20	50		GBGDMM
Cn1nc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2c1=O	ZINC000737624661	945103861	/nfs/dbraw/zinc/10/38/61/945103861.db2.gz	WZEJHEBRUHJERZ-UHFFFAOYSA-N	-1	1	391.351	-0.417	20	50		GBGDMM
Cn1nc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2c1=O	ZINC000737624661	945103855	/nfs/dbraw/zinc/10/38/55/945103855.db2.gz	WZEJHEBRUHJERZ-UHFFFAOYSA-N	-1	1	391.351	-0.417	20	50		GBGDMM
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738130158	945207432	/nfs/dbraw/zinc/20/74/32/945207432.db2.gz	MPNQTYYTQNAFCE-UHFFFAOYSA-N	-1	1	394.399	-0.271	20	50		GBGDMM
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nn[n-]n2)nc1	ZINC000738134472	945221193	/nfs/dbraw/zinc/22/11/93/945221193.db2.gz	ODNGCDUBDDVMGZ-UHFFFAOYSA-N	-1	1	377.324	-0.015	20	50		GBGDMM
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)nc1	ZINC000738134472	945221185	/nfs/dbraw/zinc/22/11/85/945221185.db2.gz	ODNGCDUBDDVMGZ-UHFFFAOYSA-N	-1	1	377.324	-0.015	20	50		GBGDMM
O=C(NNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2cnnn2)cc1	ZINC000738136354	945234225	/nfs/dbraw/zinc/23/42/25/945234225.db2.gz	KODHBOHRALFUBE-UHFFFAOYSA-N	-1	1	377.328	-0.688	20	50		GBGDMM
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)CCC(=O)[O-]	ZINC000738864550	978605748	/nfs/dbraw/zinc/60/57/48/978605748.db2.gz	LYLHLZUMXMGEEP-UHFFFAOYSA-N	-1	1	378.432	-0.673	20	50		GBGDMM
CN1CCN(S(=O)(=O)c2ccc(=NNC(=O)NCCC(=O)[O-])[nH]c2)CC1	ZINC000818482364	955399814	/nfs/dbraw/zinc/39/98/14/955399814.db2.gz	PIEBHRXSJJIMFB-UHFFFAOYSA-N	-1	1	386.434	-0.882	20	50		GBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CN2C(=O)NC(=O)C2(C)C)o1	ZINC000820203278	945379369	/nfs/dbraw/zinc/37/93/69/945379369.db2.gz	QRSLZANGOHDTLC-UHFFFAOYSA-N	-1	1	377.365	-0.248	20	50		GBGDMM
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820550598	945480406	/nfs/dbraw/zinc/48/04/06/945480406.db2.gz	XHAKBIWDDUIWMY-MRVPVSSYSA-N	-1	1	375.324	-0.788	20	50		GBGDMM
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000820550599	945480857	/nfs/dbraw/zinc/48/08/57/945480857.db2.gz	XHAKBIWDDUIWMY-QMMMGPOBSA-N	-1	1	375.324	-0.788	20	50		GBGDMM
C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NNC(=O)C(C)(C)C	ZINC000820789003	945558725	/nfs/dbraw/zinc/55/87/25/945558725.db2.gz	SZIUGSLAHBTBSC-JTQLQIEISA-N	-1	1	388.436	-0.046	20	50		GBGDMM
C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NNC(=O)C(C)(C)C	ZINC000820789003	945558721	/nfs/dbraw/zinc/55/87/21/945558721.db2.gz	SZIUGSLAHBTBSC-JTQLQIEISA-N	-1	1	388.436	-0.046	20	50		GBGDMM
C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NNC(=O)C(C)(C)C	ZINC000820789004	945558738	/nfs/dbraw/zinc/55/87/38/945558738.db2.gz	SZIUGSLAHBTBSC-SNVBAGLBSA-N	-1	1	388.436	-0.046	20	50		GBGDMM
C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NNC(=O)C(C)(C)C	ZINC000820789004	945558735	/nfs/dbraw/zinc/55/87/35/945558735.db2.gz	SZIUGSLAHBTBSC-SNVBAGLBSA-N	-1	1	388.436	-0.046	20	50		GBGDMM
CC[NH+](CC)Cc1ccc(C(=O)[N-]NC(=O)Cn2cnc(-c3nn[n-]n3)n2)o1	ZINC000821196544	945651588	/nfs/dbraw/zinc/65/15/88/945651588.db2.gz	AANGMQSCPSZAIA-UHFFFAOYSA-N	-1	1	388.392	-0.646	20	50		GBGDMM
CCOc1ccc(C(=O)NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC	ZINC000821417673	945690871	/nfs/dbraw/zinc/69/08/71/945690871.db2.gz	QPCCRSJRJCWWQB-UHFFFAOYSA-N	-1	1	387.360	-0.673	20	50		GBGDMM
CCOc1ccccc1OCC(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821436846	945694505	/nfs/dbraw/zinc/69/45/05/945694505.db2.gz	GLBVBQVDASBHLL-UHFFFAOYSA-N	-1	1	387.360	-0.917	20	50		GBGDMM
CCc1nc2ccccc2n1CC(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821510067	945711907	/nfs/dbraw/zinc/71/19/07/945711907.db2.gz	VKPNVZIYXKVUMN-UHFFFAOYSA-N	-1	1	395.387	-0.782	20	50		GBGDMM
CCc1nn(CC(=O)NNC(=O)C(C)(C)C)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000821518325	945711614	/nfs/dbraw/zinc/71/16/14/945711614.db2.gz	SVNFVWLBGHABNN-UHFFFAOYSA-N	-1	1	376.421	-0.258	20	50		GBGDMM
CCn1c(=O)c2ccccc2nc1NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821564210	945716913	/nfs/dbraw/zinc/71/69/13/945716913.db2.gz	XGMVNLJRRFWZJG-UHFFFAOYSA-N	-1	1	381.360	-0.669	20	50		GBGDMM
COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NNC(=O)C(C)(C)C)c1	ZINC000821666812	945785519	/nfs/dbraw/zinc/78/55/19/945785519.db2.gz	HIFKBACCTZMUOV-UHFFFAOYSA-N	-1	1	377.361	-0.992	20	50		GBGDMM
COC(=O)c1cn(CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)nn1	ZINC000821671250	945790335	/nfs/dbraw/zinc/79/03/35/945790335.db2.gz	OIZVATWPAXXLFH-UHFFFAOYSA-N	-1	1	376.337	-0.501	20	50		GBGDMM
COc1cc(C)[n-]c(=NNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	ZINC000821712149	945843611	/nfs/dbraw/zinc/84/36/11/945843611.db2.gz	DPQWQVGSJGJCFX-UHFFFAOYSA-N	-1	1	383.372	-0.153	20	50		GBGDMM
COc1cc(C)[n-]c(=NNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)n1	ZINC000821712622	945843270	/nfs/dbraw/zinc/84/32/70/945843270.db2.gz	JZQPVJJGWYTSRN-UHFFFAOYSA-N	-1	1	384.360	-0.055	20	50		GBGDMM
COc1cc(C)[n-]c(=NNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1	ZINC000821713325	945845809	/nfs/dbraw/zinc/84/58/09/945845809.db2.gz	UXXJEVBCSVBRMS-UHFFFAOYSA-N	-1	1	384.360	-0.055	20	50		GBGDMM
COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821717505	945845579	/nfs/dbraw/zinc/84/55/79/945845579.db2.gz	POTDDAVVWISICE-UHFFFAOYSA-N	-1	1	377.752	-0.419	20	50		GBGDMM
CSc1[nH]c(=O)c(C(=O)NNC(=O)c2cc(C)n[nH]2)cc1-c1nn[n-]n1	ZINC000821977219	945912865	/nfs/dbraw/zinc/91/28/65/945912865.db2.gz	FEIUPBALRVROOB-UHFFFAOYSA-N	-1	1	375.374	-0.204	20	50		GBGDMM
Cc1cc(C(=O)[N-]NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)n[nH]1	ZINC000822176670	945971997	/nfs/dbraw/zinc/97/19/97/945971997.db2.gz	OITUIRCTVFXWOV-UHFFFAOYSA-N	-1	1	393.371	-0.259	20	50		GBGDMM
Cc1cccc(C(=O)NNC(=O)Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1	ZINC000822283800	946042326	/nfs/dbraw/zinc/04/23/26/946042326.db2.gz	DDRCDARWEFKEAG-UHFFFAOYSA-N	-1	1	382.384	-0.190	20	50		GBGDMM
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C	ZINC000822328722	946052737	/nfs/dbraw/zinc/05/27/37/946052737.db2.gz	RRNXQGGJHJGZLT-LLVKDONJSA-N	-1	1	385.388	-0.310	20	50		GBGDMM
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C	ZINC000822328723	946053682	/nfs/dbraw/zinc/05/36/82/946053682.db2.gz	RRNXQGGJHJGZLT-NSHDSACASA-N	-1	1	385.388	-0.310	20	50		GBGDMM
Cc1ccccc1CC(=O)NNC(=O)Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O	ZINC000822355898	946066534	/nfs/dbraw/zinc/06/65/34/946066534.db2.gz	AMJLOAAFBYLIIJ-UHFFFAOYSA-N	-1	1	396.411	-0.261	20	50		GBGDMM
Cc1nnc(CN(C)CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)n1C	ZINC000822510106	946107801	/nfs/dbraw/zinc/10/78/01/946107801.db2.gz	JFNDNEIRAONNBN-UHFFFAOYSA-N	-1	1	389.424	-0.010	20	50		GBGDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNC(=O)[C@@H]1COCCO1	ZINC000822542559	946120686	/nfs/dbraw/zinc/12/06/86/946120686.db2.gz	ZLPQZTXYNDQGKX-JTQLQIEISA-N	-1	1	387.356	-0.265	20	50		GBGDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNC(=O)[C@@H]1COCCO1	ZINC000822542559	946120679	/nfs/dbraw/zinc/12/06/79/946120679.db2.gz	ZLPQZTXYNDQGKX-JTQLQIEISA-N	-1	1	387.356	-0.265	20	50		GBGDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNC(=O)[C@H]1COCCO1	ZINC000822542560	946120328	/nfs/dbraw/zinc/12/03/28/946120328.db2.gz	ZLPQZTXYNDQGKX-SNVBAGLBSA-N	-1	1	387.356	-0.265	20	50		GBGDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNC(=O)[C@H]1COCCO1	ZINC000822542560	946120315	/nfs/dbraw/zinc/12/03/15/946120315.db2.gz	ZLPQZTXYNDQGKX-SNVBAGLBSA-N	-1	1	387.356	-0.265	20	50		GBGDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNC(=O)CN1CCCC1=O	ZINC000822542573	946121655	/nfs/dbraw/zinc/12/16/55/946121655.db2.gz	ZVQBEGAKMQVZBM-UHFFFAOYSA-N	-1	1	398.383	-0.058	20	50		GBGDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNC(=O)CN1CCCC1=O	ZINC000822542573	946121647	/nfs/dbraw/zinc/12/16/47/946121647.db2.gz	ZVQBEGAKMQVZBM-UHFFFAOYSA-N	-1	1	398.383	-0.058	20	50		GBGDMM
Cn1c(N)c(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c(=O)n(C)c1=O	ZINC000822599537	946132837	/nfs/dbraw/zinc/13/28/37/946132837.db2.gz	DNFDATIQJMKTAX-ALCCZGGFSA-N	-1	1	384.381	-0.302	20	50		GBGDMM
Cn1c(N)c(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)c(=O)n(C)c1=O	ZINC000822599538	946133356	/nfs/dbraw/zinc/13/33/56/946133356.db2.gz	DNFDATIQJMKTAX-FNORWQNLSA-N	-1	1	384.381	-0.302	20	50		GBGDMM
Cn1cc(-c2nn[nH]n2)cc1C(=O)OCC(=O)N[N-]C(=O)c1cccs1	ZINC000822659051	946150292	/nfs/dbraw/zinc/15/02/92/946150292.db2.gz	FRRLFJDFCVPILU-UHFFFAOYSA-N	-1	1	375.370	-0.115	20	50		GBGDMM
Cn1cc(Br)cc1C(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000822665391	946148976	/nfs/dbraw/zinc/14/89/76/946148976.db2.gz	PSQHTCHYRJYVPF-UHFFFAOYSA-N	-1	1	395.181	-0.980	20	50		GBGDMM
N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1	ZINC000822822900	946196755	/nfs/dbraw/zinc/19/67/55/946196755.db2.gz	HIDLEDRYPIXILS-UHFFFAOYSA-N	-1	1	392.335	-0.249	20	50		GBGDMM
N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1	ZINC000822822900	946196745	/nfs/dbraw/zinc/19/67/45/946196745.db2.gz	HIDLEDRYPIXILS-UHFFFAOYSA-N	-1	1	392.335	-0.249	20	50		GBGDMM
N#Cc1ccc(C=NNC(=O)C(=O)NN=CC2=S=C(c3nn[n-]n3)C=C2)s1	ZINC000822825785	946198589	/nfs/dbraw/zinc/19/85/89/946198589.db2.gz	ORBHMGAHNDJCHH-UHFFFAOYSA-N	-1	1	399.421	-0.619	20	50		GBGDMM
N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1	ZINC000822836964	946201024	/nfs/dbraw/zinc/20/10/24/946201024.db2.gz	CAVDGGVISVKKIR-UHFFFAOYSA-N	-1	1	392.335	-0.249	20	50		GBGDMM
N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1	ZINC000822836964	946201013	/nfs/dbraw/zinc/20/10/13/946201013.db2.gz	CAVDGGVISVKKIR-UHFFFAOYSA-N	-1	1	392.335	-0.249	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)CN1CCCc2ccccc21	ZINC000822996533	946253992	/nfs/dbraw/zinc/25/39/92/946253992.db2.gz	GWDMZJOQPPQPFK-UHFFFAOYSA-N	-1	1	382.388	-0.942	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[nH]n2)n1)N[N-]C(=O)C(F)(F)Oc1ccccc1	ZINC000823131087	946324151	/nfs/dbraw/zinc/32/41/51/946324151.db2.gz	BXPWFRHZUACCCA-UHFFFAOYSA-N	-1	1	379.287	-0.723	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	ZINC000823131565	946325883	/nfs/dbraw/zinc/32/58/83/946325883.db2.gz	JYUDSCIRWAGFJG-UHFFFAOYSA-N	-1	1	379.344	-0.691	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[nH]n2)n1)N[N-]C(=O)c1cc(-c2ccccc2)on1	ZINC000823131676	946326198	/nfs/dbraw/zinc/32/61/98/946326198.db2.gz	LVKBCCVYAYEEKR-UHFFFAOYSA-N	-1	1	380.328	-0.426	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cc(Br)c[nH]1	ZINC000823131721	946326367	/nfs/dbraw/zinc/32/63/67/946326367.db2.gz	MONKLHWMIGKZSJ-UHFFFAOYSA-N	-1	1	381.154	-0.990	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000823131967	946327499	/nfs/dbraw/zinc/32/74/99/946327499.db2.gz	SPIUERQNXFVQCP-UHFFFAOYSA-N	-1	1	379.287	-0.479	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cccc(Br)c1	ZINC000823132028	946325574	/nfs/dbraw/zinc/32/55/74/946325574.db2.gz	WBIJTRXPQGYLBA-UHFFFAOYSA-N	-1	1	392.177	-0.318	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cnn(-c2ccccc2)c1	ZINC000823132073	946327017	/nfs/dbraw/zinc/32/70/17/946327017.db2.gz	YKUUWJYNKTWHHE-UHFFFAOYSA-N	-1	1	379.344	-0.895	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000823132078	946327997	/nfs/dbraw/zinc/32/79/97/946327997.db2.gz	YNHQDOBJZCNKLL-UHFFFAOYSA-N	-1	1	381.278	-0.062	20	50		GBGDMM
CCOC(=O)c1cnn(CC(=O)NNC(=O)c2ccccc2)c1-c1nn[n-]n1	ZINC000825564656	947222451	/nfs/dbraw/zinc/22/24/51/947222451.db2.gz	BITKYLFNGLHCKC-UHFFFAOYSA-N	-1	1	384.356	-0.299	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C[C@H](C)O1	ZINC000826056429	603435174	/nfs/dbraw/zinc/43/51/74/603435174.db2.gz	CRRIKOYECGIAJR-HZSPNIEDSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C[C@@H](C)O1	ZINC000826056431	603435078	/nfs/dbraw/zinc/43/50/78/603435078.db2.gz	CRRIKOYECGIAJR-MCIONIFRSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])C[C@@H](C)O1	ZINC000826056433	603435085	/nfs/dbraw/zinc/43/50/85/603435085.db2.gz	CRRIKOYECGIAJR-MGPQQGTHSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])C[C@H](C)O1	ZINC000826056435	603435061	/nfs/dbraw/zinc/43/50/61/603435061.db2.gz	CRRIKOYECGIAJR-MJBXVCDLSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C[C@H](C)O1	ZINC000826058241	605245229	/nfs/dbraw/zinc/24/52/29/605245229.db2.gz	NTUOMXAXYKNAGW-HZSPNIEDSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C[C@@H](C)O1	ZINC000826058242	605245429	/nfs/dbraw/zinc/24/54/29/605245429.db2.gz	NTUOMXAXYKNAGW-MCIONIFRSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)C[C@@H](C)O1	ZINC000826058243	605245557	/nfs/dbraw/zinc/24/55/57/605245557.db2.gz	NTUOMXAXYKNAGW-MGPQQGTHSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)C[C@H](C)O1	ZINC000826058244	605245549	/nfs/dbraw/zinc/24/55/49/605245549.db2.gz	NTUOMXAXYKNAGW-MJBXVCDLSA-N	-1	1	386.449	-0.208	20	50		GBGDMM
COc1ccccc1OCC(=O)NNC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000826220259	947651705	/nfs/dbraw/zinc/65/17/05/947651705.db2.gz	HTQOJNBARMRHND-UHFFFAOYSA-N	-1	1	387.356	-0.059	20	50		GBGDMM
COc1ccccc1OCC(=O)NNC(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000826220259	947651702	/nfs/dbraw/zinc/65/17/02/947651702.db2.gz	HTQOJNBARMRHND-UHFFFAOYSA-N	-1	1	387.356	-0.059	20	50		GBGDMM
COc1ccccc1SCC(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826220886	608088583	/nfs/dbraw/zinc/08/85/83/608088583.db2.gz	FKEGLLHIXHAYQL-UHFFFAOYSA-N	-1	1	389.401	-0.594	20	50		GBGDMM
Cc1cc(C(=O)[N-]NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000826259827	608107820	/nfs/dbraw/zinc/10/78/20/608107820.db2.gz	IJISZWBDFORCAI-VZUCSPMQSA-N	-1	1	380.372	-0.087	20	50		GBGDMM
Cc1cc(C(=O)[N-]NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)n[nH]1	ZINC000826259828	608107822	/nfs/dbraw/zinc/10/78/22/608107822.db2.gz	IJISZWBDFORCAI-WZUFQYTHSA-N	-1	1	380.372	-0.087	20	50		GBGDMM
Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cnc(-c4nn[n-]n4)n3)[nH]n2)cc1	ZINC000826273142	608106746	/nfs/dbraw/zinc/10/67/46/608106746.db2.gz	RESDDYPNAFOSLK-UHFFFAOYSA-N	-1	1	393.371	-0.382	20	50		GBGDMM
Cc1ccccc1CC(=O)NNC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N	ZINC000826306479	609176915	/nfs/dbraw/zinc/17/69/15/609176915.db2.gz	ADKDVLXSBQYLHN-UHFFFAOYSA-N	-1	1	380.372	-0.784	20	50		GBGDMM
Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CC=C(C#N)CC3)CC2)o1	ZINC000826323312	609484297	/nfs/dbraw/zinc/48/42/97/609484297.db2.gz	ZEHLTQTZUWKBLA-UHFFFAOYSA-N	-1	1	383.416	-0.033	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1-c1nn[n-]n1	ZINC000826348026	948065322	/nfs/dbraw/zinc/06/53/22/948065322.db2.gz	QNBRBYHUCLOKAU-GFCCVEGCSA-N	-1	1	385.340	-0.307	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1-c1nnn[n-]1	ZINC000826348026	948065309	/nfs/dbraw/zinc/06/53/09/948065309.db2.gz	QNBRBYHUCLOKAU-GFCCVEGCSA-N	-1	1	385.340	-0.307	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1-c1nn[n-]n1	ZINC000826348027	948065565	/nfs/dbraw/zinc/06/55/65/948065565.db2.gz	QNBRBYHUCLOKAU-LBPRGKRZSA-N	-1	1	385.340	-0.307	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1-c1nnn[n-]1	ZINC000826348027	948065557	/nfs/dbraw/zinc/06/55/57/948065557.db2.gz	QNBRBYHUCLOKAU-LBPRGKRZSA-N	-1	1	385.340	-0.307	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)c1-c1nn[n-]n1	ZINC000826348219	948067935	/nfs/dbraw/zinc/06/79/35/948067935.db2.gz	BAEIVDQLWNXOFT-UHFFFAOYSA-N	-1	1	381.356	-0.257	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)Cc2cn3ccccc3n2)c1-c1nnn[n-]1	ZINC000826348219	948067929	/nfs/dbraw/zinc/06/79/29/948067929.db2.gz	BAEIVDQLWNXOFT-UHFFFAOYSA-N	-1	1	381.356	-0.257	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1	ZINC000826348321	948071497	/nfs/dbraw/zinc/07/14/97/948071497.db2.gz	HAOPETBJXGGCHR-UHFFFAOYSA-N	-1	1	385.340	-0.062	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1	ZINC000826348321	948071490	/nfs/dbraw/zinc/07/14/90/948071490.db2.gz	HAOPETBJXGGCHR-UHFFFAOYSA-N	-1	1	385.340	-0.062	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)CNC(=O)c2cccs2)c1-c1nn[n-]n1	ZINC000826348377	948072887	/nfs/dbraw/zinc/07/28/87/948072887.db2.gz	JNKFOIPTYVAWLX-UHFFFAOYSA-N	-1	1	390.385	-0.655	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)CNC(=O)c2cccs2)c1-c1nnn[n-]1	ZINC000826348377	948072876	/nfs/dbraw/zinc/07/28/76/948072876.db2.gz	JNKFOIPTYVAWLX-UHFFFAOYSA-N	-1	1	390.385	-0.655	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)COc2ccc(C#N)cc2)c1-c1nn[n-]n1	ZINC000826348394	948073045	/nfs/dbraw/zinc/07/30/45/948073045.db2.gz	KBXFDOKKSHDQLA-UHFFFAOYSA-N	-1	1	382.340	-0.196	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)COc2ccc(C#N)cc2)c1-c1nnn[n-]1	ZINC000826348394	948073027	/nfs/dbraw/zinc/07/30/27/948073027.db2.gz	KBXFDOKKSHDQLA-UHFFFAOYSA-N	-1	1	382.340	-0.196	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1-c1nn[n-]n1	ZINC000826348489	948076730	/nfs/dbraw/zinc/07/67/30/948076730.db2.gz	OTMFQWHHUGVIBJ-UHFFFAOYSA-N	-1	1	395.343	-0.857	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1-c1nnn[n-]1	ZINC000826348489	948076720	/nfs/dbraw/zinc/07/67/20/948076720.db2.gz	OTMFQWHHUGVIBJ-UHFFFAOYSA-N	-1	1	395.343	-0.857	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1	ZINC000826348563	609472177	/nfs/dbraw/zinc/47/21/77/609472177.db2.gz	SNRJKANFYRASNV-UHFFFAOYSA-N	-1	1	380.365	-0.622	20	50		GBGDMM
Cc1onc(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1	ZINC000826348563	609472174	/nfs/dbraw/zinc/47/21/74/609472174.db2.gz	SNRJKANFYRASNV-UHFFFAOYSA-N	-1	1	380.365	-0.622	20	50		GBGDMM
N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000826383184	948181479	/nfs/dbraw/zinc/18/14/79/948181479.db2.gz	OFJKUHNAFCQYNX-UHFFFAOYSA-N	-1	1	382.300	-0.696	20	50		GBGDMM
O=C(CSc1ccccc1O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000826420805	608205620	/nfs/dbraw/zinc/20/56/20/608205620.db2.gz	DAWXFCSWTYPMEK-UHFFFAOYSA-N	-1	1	375.374	-0.897	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	ZINC000826425505	608108569	/nfs/dbraw/zinc/10/85/69/608108569.db2.gz	HGWLPNUAABQSCL-UHFFFAOYSA-N	-1	1	397.334	-0.551	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)c1cc(-c2cccs2)n[nH]1	ZINC000826425732	608108164	/nfs/dbraw/zinc/10/81/64/608108164.db2.gz	QSUPLAGPRFPJTE-UHFFFAOYSA-N	-1	1	385.373	-0.629	20	50		GBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000826425874	607395280	/nfs/dbraw/zinc/39/52/80/607395280.db2.gz	XQQKGBFFTOESGE-UHFFFAOYSA-N	-1	1	399.343	-0.402	20	50		GBGDMM
O=C([O-])N1CC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC000831433788	604614514	/nfs/dbraw/zinc/61/45/14/604614514.db2.gz	UZRBQDWHXOZYNE-UHFFFAOYSA-N	-1	1	390.444	-0.109	20	50		GBGDMM
O=C([O-])NCCNC(=O)NNC(=O)CCN1CCN(c2ccccn2)CC1	ZINC000832653571	603804778	/nfs/dbraw/zinc/80/47/78/603804778.db2.gz	ZCDWAKFNIGRLFR-UHFFFAOYSA-N	-1	1	379.421	-0.808	20	50		GBGDMM
CCOC(=O)c1cnc(=NNC(=O)CN2CCN(C(=O)[O-])CC2=O)[nH]c1C	ZINC000833861467	605441988	/nfs/dbraw/zinc/44/19/88/605441988.db2.gz	QUPDGHFWQQICND-UHFFFAOYSA-N	-1	1	380.361	-0.773	20	50		GBGDMM
CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O	ZINC000833896084	605482574	/nfs/dbraw/zinc/48/25/74/605482574.db2.gz	ZNVNCTITSSOLHQ-SECBINFHSA-N	-1	1	393.805	-0.123	20	50		GBGDMM
CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O	ZINC000833896085	605482960	/nfs/dbraw/zinc/48/29/60/605482960.db2.gz	ZNVNCTITSSOLHQ-VIFPVBQESA-N	-1	1	393.805	-0.123	20	50		GBGDMM
O=C([O-])N1CC(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC000833992300	605506109	/nfs/dbraw/zinc/50/61/09/605506109.db2.gz	GHBRYVGYOMDPBE-UHFFFAOYSA-N	-1	1	375.429	-0.044	20	50		GBGDMM
O=C([O-])NCC(=O)NCC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2	ZINC000834198100	605400441	/nfs/dbraw/zinc/40/04/41/605400441.db2.gz	FYFJYCFVOZDPFH-UHFFFAOYSA-N	-1	1	385.384	-0.146	20	50		GBGDMM
O=C([O-])NCC(=O)NCC(=O)NNC(=O)c1ccc(Br)s1	ZINC000834199005	605336988	/nfs/dbraw/zinc/33/69/88/605336988.db2.gz	SVLBCFBCQXFVFO-UHFFFAOYSA-N	-1	1	379.192	-0.345	20	50		GBGDMM
O=C([O-])NCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O	ZINC000834203714	605464578	/nfs/dbraw/zinc/46/45/78/605464578.db2.gz	XMQQURSYDLNNBI-UHFFFAOYSA-N	-1	1	386.386	-0.795	20	50		GBGDMM
O=C([O-])NCC(=O)NNC(=O)NCCN1CCN(Cc2ccccc2)CC1	ZINC000834204723	605507115	/nfs/dbraw/zinc/50/71/15/605507115.db2.gz	KSTTZESCYFBMPQ-UHFFFAOYSA-N	-1	1	378.433	-0.598	20	50		GBGDMM
O=C([O-])NCC(=O)NNC(=O)NNC(=O)c1ccc(Br)s1	ZINC000834204975	605493784	/nfs/dbraw/zinc/49/37/84/605493784.db2.gz	RKGIKMGOZHGVEC-UHFFFAOYSA-N	-1	1	380.180	-0.247	20	50		GBGDMM
O=C([O-])NCC(=O)NNC(=O)NCCCN1CCN(c2ccccc2)CC1	ZINC000834205347	605506629	/nfs/dbraw/zinc/50/66/29/605506629.db2.gz	YSCJWHDEGKMASD-UHFFFAOYSA-N	-1	1	378.433	-0.203	20	50		GBGDMM
O=C([O-])NCCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000834227446	605842276	/nfs/dbraw/zinc/84/22/76/605842276.db2.gz	UUCNLYOCZFZPCY-UHFFFAOYSA-N	-1	1	375.341	-0.937	20	50		GBGDMM
O=C([O-])NCCCC(=O)NNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S	ZINC000834230446	605995375	/nfs/dbraw/zinc/99/53/75/605995375.db2.gz	FCYWXSHVYFYLCQ-UHFFFAOYSA-N	-1	1	379.398	-0.120	20	50		GBGDMM
O=C([O-])NCCCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O	ZINC000834232190	605975521	/nfs/dbraw/zinc/97/55/21/605975521.db2.gz	WOENQTCXSAPGRV-UHFFFAOYSA-N	-1	1	389.368	-0.547	20	50		GBGDMM
C#CCNS(=O)(=O)c1ccc(C(=O)NN=c2ccc(-c3nn[n-]n3)c[nH]2)cc1	ZINC001573286239	946799719	/nfs/dbraw/zinc/79/97/19/946799719.db2.gz	WXXKHWKKLYOBQH-UHFFFAOYSA-N	-1	1	398.408	-0.070	20	50		GBGDMM
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588631002	959608874	/nfs/dbraw/zinc/60/88/74/959608874.db2.gz	XPKZCSYEDADCPN-PSASIEDQSA-N	-1	1	396.366	-0.224	20	50		GBGDMM
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588631003	959609421	/nfs/dbraw/zinc/60/94/21/959609421.db2.gz	XPKZCSYEDADCPN-SCZZXKLOSA-N	-1	1	396.366	-0.224	20	50		GBGDMM
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001588631004	959608758	/nfs/dbraw/zinc/60/87/58/959608758.db2.gz	XPKZCSYEDADCPN-WCBMZHEXSA-N	-1	1	396.366	-0.224	20	50		GBGDMM
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001588631005	959608728	/nfs/dbraw/zinc/60/87/28/959608728.db2.gz	XPKZCSYEDADCPN-WPRPVWTQSA-N	-1	1	396.366	-0.224	20	50		GBGDMM
CO[C@@](C)(C(=O)[O-])C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1	ZINC001593927034	956138889	/nfs/dbraw/zinc/13/88/89/956138889.db2.gz	SHCHBSGVYCZQKJ-GOSISDBHSA-N	-1	1	378.429	-0.164	20	50		GBGDMM
CO[C@](C)(C(=O)[O-])C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1	ZINC001593927035	956139121	/nfs/dbraw/zinc/13/91/21/956139121.db2.gz	SHCHBSGVYCZQKJ-SFHVURJKSA-N	-1	1	378.429	-0.164	20	50		GBGDMM
COC[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	ZINC001593966475	956550827	/nfs/dbraw/zinc/55/08/27/956550827.db2.gz	JTOYQSMVCYPSOO-GOSISDBHSA-N	-1	1	395.412	-0.112	20	50		GBGDMM
COC[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	ZINC001593966476	956549664	/nfs/dbraw/zinc/54/96/64/956549664.db2.gz	JTOYQSMVCYPSOO-SFHVURJKSA-N	-1	1	395.412	-0.112	20	50		GBGDMM
COc1ccc(C(=O)NNC(=O)CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1OC	ZINC001594078725	958245628	/nfs/dbraw/zinc/24/56/28/958245628.db2.gz	PAQSYDAHIRSSOZ-SGTLLEGYSA-N	-1	1	393.396	-0.502	20	50		GBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H](C)O1	ZINC001594507718	985734108	/nfs/dbraw/zinc/73/41/08/985734108.db2.gz	BLNOWVDRMQCVKM-RYUDHWBXSA-N	-1	1	380.401	-0.807	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@H](C)O1	ZINC001594507719	985733831	/nfs/dbraw/zinc/73/38/31/985733831.db2.gz	BLNOWVDRMQCVKM-TXEJJXNPSA-N	-1	1	380.401	-0.807	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@@H](C)O1	ZINC001594507720	985734348	/nfs/dbraw/zinc/73/43/48/985734348.db2.gz	BLNOWVDRMQCVKM-VXGBXAGGSA-N	-1	1	380.401	-0.807	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)CNC(=O)c1ccco1	ZINC001594518923	985934590	/nfs/dbraw/zinc/93/45/90/985934590.db2.gz	GFMRJKYVFHMZCH-LLVKDONJSA-N	-1	1	381.389	-0.769	20	50		GBGDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)CNC(=O)c1ccco1	ZINC001594518924	985936173	/nfs/dbraw/zinc/93/61/73/985936173.db2.gz	GFMRJKYVFHMZCH-NSHDSACASA-N	-1	1	381.389	-0.769	20	50		GBGDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)CNC(=O)c1cccs1	ZINC001594519541	985957975	/nfs/dbraw/zinc/95/79/75/985957975.db2.gz	YVQOGNCFTAKATR-LLVKDONJSA-N	-1	1	397.457	-0.301	20	50		GBGDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)CNC(=O)c1cccs1	ZINC001594519542	985959638	/nfs/dbraw/zinc/95/96/38/985959638.db2.gz	YVQOGNCFTAKATR-NSHDSACASA-N	-1	1	397.457	-0.301	20	50		GBGDMM
O=C([O-])[C@@]1(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCCO1	ZINC001594684787	956705029	/nfs/dbraw/zinc/70/50/29/956705029.db2.gz	BHZLTPGOWZGINH-IBGZPJMESA-N	-1	1	390.440	-0.020	20	50		GBGDMM
O=C([O-])[C@]1(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CCCO1	ZINC001594684788	956705342	/nfs/dbraw/zinc/70/53/42/956705342.db2.gz	BHZLTPGOWZGINH-LJQANCHMSA-N	-1	1	390.440	-0.020	20	50		GBGDMM
COc1ccc(N2CCN(CCCNC(=O)NNC(=O)C(=O)[O-])CC2)cc1	ZINC001599585332	993605310	/nfs/dbraw/zinc/60/53/10/993605310.db2.gz	OZSACTHPTQPBIU-UHFFFAOYSA-N	-1	1	379.417	-0.378	20	50		GBGDMM
O=C([O-])C1=NO[C@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC001605680252	974094239	/nfs/dbraw/zinc/09/42/39/974094239.db2.gz	KAYPSQVXJYGMSM-HNNXBMFYSA-N	-1	1	389.412	-0.424	20	50		GBGDMM
O=C([O-])C1=NO[C@@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC001605680253	974094839	/nfs/dbraw/zinc/09/48/39/974094839.db2.gz	KAYPSQVXJYGMSM-OAHLLOKOSA-N	-1	1	389.412	-0.424	20	50		GBGDMM