smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C(=O)[O-])C[C@@H](C)O1	ZINC000826059301	603999750	/nfs/dbraw/zinc/99/97/50/603999750.db2.gz	SUFLKJAYOZUVNJ-IJLUTSLNSA-N	-1	1	342.396	-0.225	20	50		EBGDMM
C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000826048800	604214863	/nfs/dbraw/zinc/21/48/63/604214863.db2.gz	JPZOCVOVSLAGOC-SDDRHHMPSA-N	-1	1	344.412	-0.121	20	50		EBGDMM
Cc1ncsc1C(=O)NNC(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000830835172	604839896	/nfs/dbraw/zinc/83/98/96/604839896.db2.gz	XOHVLJXVVOPBID-QMMMGPOBSA-N	-1	1	328.350	-0.019	20	50		EBGDMM
Cc1oc2ncn(C)c(=O)c2c1C(=O)NNC(=O)CCNC(=O)[O-]	ZINC000833934147	605841740	/nfs/dbraw/zinc/84/17/40/605841740.db2.gz	AITTXYLTPOCUPQ-UHFFFAOYSA-N	-1	1	337.292	-0.746	20	50		EBGDMM
Cc1ncsc1C(=O)NNC(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833916953	606083850	/nfs/dbraw/zinc/08/38/50/606083850.db2.gz	DNRSYKRNRUKUBE-UHFFFAOYSA-N	-1	1	328.350	-0.019	20	50		EBGDMM
COC[C@@](C)(O)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000821681922	945804040	/nfs/dbraw/zinc/80/40/40/945804040.db2.gz	VOIGLMILRMRYSG-GFCCVEGCSA-N	-1	1	325.329	-0.181	20	50		EBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccccc1[N+](=O)[O-]	ZINC000823131636	946326299	/nfs/dbraw/zinc/32/62/99/946326299.db2.gz	KUULDWRXYYHBHY-UHFFFAOYSA-N	-1	1	330.268	-0.490	20	50		EBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NN=c1nc[nH]c2ccsc21	ZINC000823131473	946326334	/nfs/dbraw/zinc/32/63/34/946326334.db2.gz	HWXXNKIKMCICOX-UHFFFAOYSA-N	-1	1	343.336	-0.394	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN[C@H](C(=O)[O-])C(C)C)n1	ZINC000818976864	955427764	/nfs/dbraw/zinc/42/77/64/955427764.db2.gz	ZXGSQDWDFWMFKB-LBPRGKRZSA-N	-1	1	328.394	-0.160	20	50		EBGDMM
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000828438532	601510647	/nfs/dbraw/zinc/51/06/47/601510647.db2.gz	DUMBXSDONDXYNJ-MFKMUULPSA-N	-1	1	330.344	-0.028	20	50		EBGDMM
CC[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000827524917	605154055	/nfs/dbraw/zinc/15/40/55/605154055.db2.gz	SXJLGDBOADHIHV-AXFHLTTASA-N	-1	1	330.385	-0.321	20	50		EBGDMM
C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1ccccc1	ZINC000833628447	605245190	/nfs/dbraw/zinc/24/51/90/605245190.db2.gz	IJOXEWWMACBBJN-ZDUSSCGKSA-N	-1	1	348.403	-0.072	20	50		EBGDMM
Cc1cc(C(=O)[N-]NC(=O)COc2cccc(-c3nn[nH]n3)c2)n[nH]1	ZINC000822177386	945971422	/nfs/dbraw/zinc/97/14/22/945971422.db2.gz	YLSJKNYVLMLTOH-UHFFFAOYSA-N	-1	1	342.319	-0.262	20	50		EBGDMM
Cc1cc(C(=O)NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C)o1	ZINC000822176604	945971709	/nfs/dbraw/zinc/97/17/09/945971709.db2.gz	MQHJPZCXKPCYQO-UHFFFAOYSA-N	-1	1	331.296	-0.871	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)c2ncccc2C)c1-c1nn[n-]n1	ZINC000826308074	947886246	/nfs/dbraw/zinc/88/62/46/947886246.db2.gz	IMFVGDHSHJKYOW-UHFFFAOYSA-N	-1	1	342.319	-0.130	20	50		EBGDMM
N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NNC(=O)c1ccccc1	ZINC000826383106	948182472	/nfs/dbraw/zinc/18/24/72/948182472.db2.gz	KJYSSRIQTKBSTB-UHFFFAOYSA-N	-1	1	337.303	-0.604	20	50		EBGDMM
C[C@@H](C(=O)NNc1ncc(F)cc1F)n1cnc(-c2nn[n-]n2)n1	ZINC001573730974	948586009	/nfs/dbraw/zinc/58/60/09/948586009.db2.gz	UNVRWBBGSDSSLL-YFKPBYRVSA-N	-1	1	336.266	-0.164	20	50		EBGDMM
O=C([O-])CN1CCC[C@@H](C(=O)NNc2ccnc3cccnc32)C1=O	ZINC001595083413	951708990	/nfs/dbraw/zinc/70/89/90/951708990.db2.gz	QBOQRDVBXJBSDZ-JTQLQIEISA-N	-1	1	343.343	-0.182	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CSCC(N)=O)o1	ZINC000735938908	944716837	/nfs/dbraw/zinc/71/68/37/944716837.db2.gz	HKCRZWAIJPQAGM-UHFFFAOYSA-N	-1	1	340.369	-0.360	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cn2cnc(C#N)n2)o1	ZINC000820202309	945375621	/nfs/dbraw/zinc/37/56/21/945375621.db2.gz	GRXIHKFCQVXSGE-UHFFFAOYSA-N	-1	1	343.311	-0.415	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCCN2C(N)=O)o1	ZINC000820203633	945382461	/nfs/dbraw/zinc/38/24/61/945382461.db2.gz	WZTYHWXVDIUOKK-ZETCQYMHSA-N	-1	1	349.355	-0.036	20	50		EBGDMM
N#Cc1ccc(C(=O)NNC(=O)C2=S=C(c3nn[n-]n3)C=C2)cc1	ZINC000822823651	946196226	/nfs/dbraw/zinc/19/62/26/946196226.db2.gz	WQUITFAIKYGXSS-UHFFFAOYSA-N	-1	1	339.340	-0.472	20	50		EBGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCS(=O)(=O)C1	ZINC000823273099	946373159	/nfs/dbraw/zinc/37/31/59/946373159.db2.gz	DGHDGLIRQDVICQ-SSDOTTSWSA-N	-1	1	340.390	-0.187	20	50		EBGDMM
O=C([O-])c1cc(C(=O)NNC(=O)[C@@H]2CC[N@H+]2C2CCOCC2)[n-]n1	ZINC001594782732	953649266	/nfs/dbraw/zinc/64/92/66/953649266.db2.gz	IXEUUSDNGGFWRN-NSHDSACASA-N	-1	1	337.336	-0.878	20	50		EBGDMM
O=C([O-])c1cc(C(=O)NNC(=O)[C@@H]2CCN2C2CCOCC2)[nH]n1	ZINC001594782732	953649271	/nfs/dbraw/zinc/64/92/71/953649271.db2.gz	IXEUUSDNGGFWRN-NSHDSACASA-N	-1	1	337.336	-0.878	20	50		EBGDMM
CC(C)NS(=O)(=O)c1ccc(=NNC(=O)NCCC(=O)[O-])[nH]c1	ZINC000817914438	955384741	/nfs/dbraw/zinc/38/47/41/955384741.db2.gz	HPIWBNWRSJYZAQ-UHFFFAOYSA-N	-1	1	345.381	-0.131	20	50		EBGDMM
Cc1cc(NNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)nc(C)n1	ZINC001594325292	958161221	/nfs/dbraw/zinc/16/12/21/958161221.db2.gz	NNPMNTSVNKBXQN-UHFFFAOYSA-N	-1	1	342.377	-0.184	20	50		EBGDMM
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000828438533	601510780	/nfs/dbraw/zinc/51/07/80/601510780.db2.gz	DUMBXSDONDXYNJ-ZWNOBZJWSA-N	-1	1	330.344	-0.028	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CC2CN(C(=O)[O-])C2)C[C@H](C)O1	ZINC000826059441	604058468	/nfs/dbraw/zinc/05/84/68/604058468.db2.gz	UWJLECKBNXILQI-PHIMTYICSA-N	-1	1	342.396	-0.367	20	50		EBGDMM
Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NN(C)C(N)=O	ZINC000826232945	608864026	/nfs/dbraw/zinc/86/40/26/608864026.db2.gz	NXXNWMXEDNQXKY-UHFFFAOYSA-N	-1	1	334.340	-0.442	20	50		EBGDMM
O=C(NCc1ccco1)NNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738124696	945194606	/nfs/dbraw/zinc/19/46/06/945194606.db2.gz	VSAFYAQUHGFVBY-UHFFFAOYSA-N	-1	1	328.292	-0.001	20	50		EBGDMM
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823005577	946264188	/nfs/dbraw/zinc/26/41/88/946264188.db2.gz	XNWMGIORCPGELR-UHFFFAOYSA-N	-1	1	340.303	-0.265	20	50		EBGDMM
O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823005577	946264198	/nfs/dbraw/zinc/26/41/98/946264198.db2.gz	XNWMGIORCPGELR-UHFFFAOYSA-N	-1	1	340.303	-0.265	20	50		EBGDMM
CC(=O)c1cn(CC(=O)NN=c2ccc(-c3nn[n-]n3)c[nH]2)nn1	ZINC001573557927	946934555	/nfs/dbraw/zinc/93/45/55/946934555.db2.gz	BJTTVXWBCNUKCJ-UHFFFAOYSA-N	-1	1	328.296	-0.801	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@H](C)O1	ZINC001589395521	954363260	/nfs/dbraw/zinc/36/32/60/954363260.db2.gz	KADSUNPVXPCCTL-WRWGMCAJSA-N	-1	1	327.381	-0.256	20	50		EBGDMM
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)c2ccc(C(=O)[O-])[nH]2)C[C@H](C)O1	ZINC001574467352	983247834	/nfs/dbraw/zinc/24/78/34/983247834.db2.gz	PJJPWKCNPDLBAO-AOOOYVTPSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])[nH]2)C[C@H](C)O1	ZINC001574467352	983247838	/nfs/dbraw/zinc/24/78/38/983247838.db2.gz	PJJPWKCNPDLBAO-AOOOYVTPSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
Cc1c(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cccc1[N+](=O)[O-]	ZINC000826243129	607396199	/nfs/dbraw/zinc/39/61/99/607396199.db2.gz	VSHCVKBKCQJHSR-UHFFFAOYSA-N	-1	1	344.295	-0.182	20	50		EBGDMM
COc1cc(C(=O)NNC(=O)[O-])cc(NS(C)(=O)=O)c1OC	ZINC000829088343	603216904	/nfs/dbraw/zinc/21/69/04/603216904.db2.gz	XVBAGMYKQGGRNB-UHFFFAOYSA-N	-1	1	333.322	-0.012	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)C(C)(C)CNC(=O)[O-])C[C@@H](C)O1	ZINC000826049275	603794411	/nfs/dbraw/zinc/79/44/11/603794411.db2.gz	LEMUDUWYJDCBMS-GHMZBOCLSA-N	-1	1	344.412	-0.073	20	50		EBGDMM
CN(C)c1nccc(=NNC(=O)c2ccc(-c3nn[n-]n3)nc2)[nH]1	ZINC000736780070	944891535	/nfs/dbraw/zinc/89/15/35/944891535.db2.gz	SKBQMGHMOHOISF-UHFFFAOYSA-N	-1	1	326.324	-0.125	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2CC[C@H](C(=O)[O-])C2)n1	ZINC000818976729	955427235	/nfs/dbraw/zinc/42/72/35/955427235.db2.gz	FRCQWPUGROUEQV-VIFPVBQESA-N	-1	1	326.378	-0.452	20	50		EBGDMM
Cc1cc(C(=O)[N-]NC(=O)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1	ZINC000822177438	945972336	/nfs/dbraw/zinc/97/23/36/945972336.db2.gz	ZKBUWELNMONLOL-UHFFFAOYSA-N	-1	1	326.320	-0.098	20	50		EBGDMM
CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000736806463	978357148	/nfs/dbraw/zinc/35/71/48/978357148.db2.gz	CMYICZKRBBNFTA-LOWVWBTDSA-N	-1	1	344.412	-0.075	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](C)O1	ZINC001594507683	985732663	/nfs/dbraw/zinc/73/26/63/985732663.db2.gz	AMAMUBXWJHHVKX-UWVGGRQHSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000826048802	604214703	/nfs/dbraw/zinc/21/47/03/604214703.db2.gz	JPZOCVOVSLAGOC-UTUOFQBUSA-N	-1	1	344.412	-0.121	20	50		EBGDMM
CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1cn(CC(=O)[O-])nn1	ZINC000825798721	604782667	/nfs/dbraw/zinc/78/26/67/604782667.db2.gz	UVHJOQCGGGDSPF-SNVBAGLBSA-N	-1	1	338.368	-0.829	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](O)C(C)(C)O)o1	ZINC001574424490	948852507	/nfs/dbraw/zinc/85/25/07/948852507.db2.gz	NGWMCJZYFUCUAQ-ZETCQYMHSA-N	-1	1	325.329	-0.447	20	50		EBGDMM
O=C([O-])c1cc(C(=O)NNC(=O)[C@H]2CC[N@H+]2C2CCOCC2)[n-]n1	ZINC001594782731	953649193	/nfs/dbraw/zinc/64/91/93/953649193.db2.gz	IXEUUSDNGGFWRN-LLVKDONJSA-N	-1	1	337.336	-0.878	20	50		EBGDMM
O=C([O-])c1cc(C(=O)NNC(=O)[C@H]2CCN2C2CCOCC2)[nH]n1	ZINC001594782731	953649200	/nfs/dbraw/zinc/64/92/00/953649200.db2.gz	IXEUUSDNGGFWRN-LLVKDONJSA-N	-1	1	337.336	-0.878	20	50		EBGDMM
Cc1cccc(C(=O)NNC(=O)CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1	ZINC001594387632	958690639	/nfs/dbraw/zinc/69/06/39/958690639.db2.gz	HVKHMOKBXVTCBV-GUYCJALGSA-N	-1	1	347.371	-0.211	20	50		EBGDMM
O=C([O-])C[NH+]1CCN(CC(=O)N[N-]C(=O)c2cccs2)CC1	ZINC000314207941	963725188	/nfs/dbraw/zinc/72/51/88/963725188.db2.gz	JXGMWKKTTUEBEK-UHFFFAOYSA-N	-1	1	326.378	-0.789	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)C23CC(C(=O)[O-])(C2)C3)C[C@@H](C)O1	ZINC001594508891	985761510	/nfs/dbraw/zinc/76/15/10/985761510.db2.gz	LZFNXDRRSGWGKN-CHISNJGVSA-N	-1	1	339.392	-0.112	20	50		EBGDMM
C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000826048798	604214730	/nfs/dbraw/zinc/21/47/30/604214730.db2.gz	JPZOCVOVSLAGOC-QJPTWQEYSA-N	-1	1	344.412	-0.121	20	50		EBGDMM
CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1cn(CC(=O)[O-])nn1	ZINC000825798720	604782552	/nfs/dbraw/zinc/78/25/52/604782552.db2.gz	UVHJOQCGGGDSPF-JTQLQIEISA-N	-1	1	338.368	-0.829	20	50		EBGDMM
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)n1	ZINC000737257449	945022607	/nfs/dbraw/zinc/02/26/07/945022607.db2.gz	SFWMEPWTRHDMQH-UHFFFAOYSA-N	-1	1	341.335	-0.464	20	50		EBGDMM
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)nc2)n1	ZINC000737257449	945022616	/nfs/dbraw/zinc/02/26/16/945022616.db2.gz	SFWMEPWTRHDMQH-UHFFFAOYSA-N	-1	1	341.335	-0.464	20	50		EBGDMM
CCOC(=O)c1cnc(=NNC(=O)[C@@](C)(OC)C(=O)[O-])[nH]c1C	ZINC001603819905	974306472	/nfs/dbraw/zinc/30/64/72/974306472.db2.gz	XLWGZFBKBMQSAS-CYBMUJFWSA-N	-1	1	326.309	-0.105	20	50		EBGDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)Cc1cccnc1	ZINC001594518719	985931961	/nfs/dbraw/zinc/93/19/61/985931961.db2.gz	CPDVLDREJGMKLB-LBPRGKRZSA-N	-1	1	349.391	-0.154	20	50		EBGDMM
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)[O-]	ZINC000828438530	601510551	/nfs/dbraw/zinc/51/05/51/601510551.db2.gz	DUMBXSDONDXYNJ-GWCFXTLKSA-N	-1	1	330.344	-0.028	20	50		EBGDMM
CCc1ccc(C(=O)NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1	ZINC000821476256	945704930	/nfs/dbraw/zinc/70/49/30/945704930.db2.gz	KEACSRQPASEZCY-UHFFFAOYSA-N	-1	1	341.335	-0.518	20	50		EBGDMM
N#Cc1ncn(CC(=O)NNC(=O)c2ccccc2)c1-c1nn[n-]n1	ZINC000826387942	948191993	/nfs/dbraw/zinc/19/19/93/948191993.db2.gz	AMAMWGVZOCUYJH-UHFFFAOYSA-N	-1	1	337.303	-0.604	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN(C)CCCC(=O)[O-])n1	ZINC001605381586	973345267	/nfs/dbraw/zinc/34/52/67/973345267.db2.gz	ZCJGKXHVPNGXNE-UHFFFAOYSA-N	-1	1	328.394	-0.062	20	50		EBGDMM
CCOC(=O)c1cnc(=NNC(=O)Cn2cc(C(=O)[O-])cn2)[nH]c1C	ZINC001596739350	985033609	/nfs/dbraw/zinc/03/36/09/985033609.db2.gz	APRPIOZBENJIIP-UHFFFAOYSA-N	-1	1	348.319	0.000	20	50		EBGDMM
COC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)N[N-]C(=O)c1cccs1	ZINC000833721939	605240877	/nfs/dbraw/zinc/24/08/77/605240877.db2.gz	HTZQJAVOFFEBAF-CYBMUJFWSA-N	-1	1	329.378	-0.022	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(NC(N)=O)CC2)o1	ZINC000824352829	608447518	/nfs/dbraw/zinc/44/75/18/608447518.db2.gz	PLXATRGHQCTFAG-UHFFFAOYSA-N	-1	1	335.328	-0.378	20	50		EBGDMM
N#Cc1cc(Cl)nc(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000826383511	608581830	/nfs/dbraw/zinc/58/18/30/608581830.db2.gz	DSGICRKYVJTQIK-UHFFFAOYSA-N	-1	1	345.714	-0.478	20	50		EBGDMM
Cc1ccccc1CC(=O)NNC(=O)Cn1ccnc1-c1nnn[n-]1	ZINC000826307149	608890979	/nfs/dbraw/zinc/89/09/79/608890979.db2.gz	XPPNGUNLXISAAA-UHFFFAOYSA-N	-1	1	340.347	-0.238	20	50		EBGDMM
Cc1ccccc1CC(=O)NNC(=O)Cn1ccnc1-c1nn[n-]n1	ZINC000826307149	608890980	/nfs/dbraw/zinc/89/09/80/608890980.db2.gz	XPPNGUNLXISAAA-UHFFFAOYSA-N	-1	1	340.347	-0.238	20	50		EBGDMM
Cc1cc(C(=O)[N-]NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)n[nH]1	ZINC000822177058	945971205	/nfs/dbraw/zinc/97/12/05/945971205.db2.gz	SOCRWASHMMKSPM-UHFFFAOYSA-N	-1	1	341.335	-0.229	20	50		EBGDMM
O=C([N-]NC(=O)c1cn[nH]n1)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823277170	946396797	/nfs/dbraw/zinc/39/67/97/946396797.db2.gz	GGIKKHUNWBYBHY-UHFFFAOYSA-N	-1	1	335.234	-0.662	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CSCC(=O)[O-])C[C@H](C)O1	ZINC000739183443	955252236	/nfs/dbraw/zinc/25/22/36/955252236.db2.gz	SGIMUQSGXXYINX-AOOOYVTPSA-N	-1	1	333.410	-0.549	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)CCCNC(=O)[O-])C[C@H](C)O1	ZINC000736807128	978357767	/nfs/dbraw/zinc/35/77/67/978357767.db2.gz	FEXYGSJTMIXIOF-QWRGUYRKSA-N	-1	1	330.385	-0.319	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])[nH]2)C[C@H](C)O1	ZINC001574467354	983247689	/nfs/dbraw/zinc/24/76/89/983247689.db2.gz	PJJPWKCNPDLBAO-UWVGGRQHSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
COc1cc(F)cc(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000826180482	607402257	/nfs/dbraw/zinc/40/22/57/607402257.db2.gz	JNNJMCNWSRNUHC-UHFFFAOYSA-N	-1	1	333.287	-0.251	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)n1	ZINC000832989277	601540706	/nfs/dbraw/zinc/54/07/06/601540706.db2.gz	IZEGQHPOLALYSH-WPRPVWTQSA-N	-1	1	340.405	-0.206	20	50		EBGDMM
C[C@H](CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1)NC(=O)[O-]	ZINC000824671836	603435028	/nfs/dbraw/zinc/43/50/28/603435028.db2.gz	MLVGTKIIEQWXLP-MXWKQRLJSA-N	-1	1	330.385	-0.321	20	50		EBGDMM
C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000826048796	604214736	/nfs/dbraw/zinc/21/47/36/604214736.db2.gz	JPZOCVOVSLAGOC-IJLUTSLNSA-N	-1	1	344.412	-0.121	20	50		EBGDMM
NC(=O)C[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1	ZINC000833983428	605762761	/nfs/dbraw/zinc/76/27/61/605762761.db2.gz	UWNNRZOXFUZHPS-MRVPVSSYSA-N	-1	1	334.288	-0.295	20	50		EBGDMM
N#Cc1cccc(C(=O)NNC(=O)Cn2ccnc2-c2nnn[n-]2)c1	ZINC000826386896	608149144	/nfs/dbraw/zinc/14/91/44/608149144.db2.gz	XQIWLSWPYQPHDR-UHFFFAOYSA-N	-1	1	337.303	-0.604	20	50		EBGDMM
N#Cc1cccc(C(=O)NNC(=O)Cn2ccnc2-c2nn[n-]n2)c1	ZINC000826386896	608149149	/nfs/dbraw/zinc/14/91/49/608149149.db2.gz	XQIWLSWPYQPHDR-UHFFFAOYSA-N	-1	1	337.303	-0.604	20	50		EBGDMM
Cc1c(C=C(C#N)C(=O)NCc2nn[n-]n2)cc(-c2nn[nH]n2)n1C	ZINC000737213889	945008743	/nfs/dbraw/zinc/00/87/43/945008743.db2.gz	YFOWLKFMRANQQM-YCRREMRBSA-N	-1	1	339.323	-0.750	20	50		EBGDMM
Cc1cccc(C(=O)NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1	ZINC000822284307	946046538	/nfs/dbraw/zinc/04/65/38/946046538.db2.gz	OBFGGQOAVKVQFH-UHFFFAOYSA-N	-1	1	327.308	-0.772	20	50		EBGDMM
C[C@@H](CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1)NC(=O)[O-]	ZINC000824671834	603435089	/nfs/dbraw/zinc/43/50/89/603435089.db2.gz	MLVGTKIIEQWXLP-GARJFASQSA-N	-1	1	330.385	-0.321	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)C(C)(C)CNC(=O)[O-])C[C@H](C)O1	ZINC000826049277	603794186	/nfs/dbraw/zinc/79/41/86/603794186.db2.gz	LEMUDUWYJDCBMS-QWRGUYRKSA-N	-1	1	344.412	-0.073	20	50		EBGDMM
O=C(NCC(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000738040564	945175104	/nfs/dbraw/zinc/17/51/04/945175104.db2.gz	VGYIIZPVDOIQTP-UHFFFAOYSA-N	-1	1	330.230	-0.232	20	50		EBGDMM
O=C([O-])C1(C(=O)NN=c2ncc(F)c[nH]2)CCS(=O)(=O)CC1	ZINC001605935718	972877172	/nfs/dbraw/zinc/87/71/72/972877172.db2.gz	RDIYFLPKEAIGDA-UHFFFAOYSA-N	-1	1	332.313	-0.662	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CC2CN(C(=O)[O-])C2)C[C@@H](C)O1	ZINC000826059440	604058010	/nfs/dbraw/zinc/05/80/10/604058010.db2.gz	UWJLECKBNXILQI-GHMZBOCLSA-N	-1	1	342.396	-0.367	20	50		EBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1ccc([N+](=O)[O-])cc1	ZINC000826425560	607712160	/nfs/dbraw/zinc/71/21/60/607712160.db2.gz	JSUUESMCKMSVOV-UHFFFAOYSA-N	-1	1	330.268	-0.490	20	50		EBGDMM
O=C([O-])NCC(=O)NNC(=O)NNC(=O)c1cc2ccccc2o1	ZINC000834204453	605530011	/nfs/dbraw/zinc/53/00/11/605530011.db2.gz	BYVYQMISVCVOFS-UHFFFAOYSA-N	-1	1	335.276	-0.324	20	50		EBGDMM
O=C([O-])NCCC(=O)NN=C1CCN(CCN2CCOCC2)CC1	ZINC000834227829	605750132	/nfs/dbraw/zinc/75/01/32/605750132.db2.gz	OQAOLXAODXBDKP-UHFFFAOYSA-N	-1	1	341.412	-0.456	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@H](C)O1	ZINC001589395519	954364410	/nfs/dbraw/zinc/36/44/10/954364410.db2.gz	KADSUNPVXPCCTL-NNYUYHANSA-N	-1	1	327.381	-0.256	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(C(=O)[O-])[nH]2)C[C@@H](C)O1	ZINC001574467353	983248411	/nfs/dbraw/zinc/24/84/11/983248411.db2.gz	PJJPWKCNPDLBAO-NXEZZACHSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NNC(=O)Cc1cccnc1	ZINC001594518718	985933129	/nfs/dbraw/zinc/93/31/29/985933129.db2.gz	CPDVLDREJGMKLB-GFCCVEGCSA-N	-1	1	349.391	-0.154	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)n1	ZINC000832990010	601953983	/nfs/dbraw/zinc/95/39/83/601953983.db2.gz	ZJSZVPPWJVHDOG-CQSZACIVSA-N	-1	1	340.405	-0.062	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)CC2CN(C(=O)[O-])C2)C[C@H](C)O1	ZINC000826059442	604058298	/nfs/dbraw/zinc/05/82/98/604058298.db2.gz	UWJLECKBNXILQI-QWRGUYRKSA-N	-1	1	342.396	-0.367	20	50		EBGDMM
Cc1c(C=C(C#N)C(=O)Nc2nn[n-]n2)cc(-c2nn[nH]n2)n1C	ZINC000737213244	945000256	/nfs/dbraw/zinc/00/02/56/945000256.db2.gz	RCCLEYURNCFLQG-BAQGIRSFSA-N	-1	1	325.296	-0.428	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CN(C)CCO2)o1	ZINC000820202054	945375908	/nfs/dbraw/zinc/37/59/08/945375908.db2.gz	FDTJSUDYAUBEKN-MRVPVSSYSA-N	-1	1	336.356	-0.248	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)c2c[nH]c(C(=O)[O-])c2)C[C@@H](C)O1	ZINC001594507682	985731353	/nfs/dbraw/zinc/73/13/53/985731353.db2.gz	AMAMUBXWJHHVKX-NXEZZACHSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)n1	ZINC000832989273	601540677	/nfs/dbraw/zinc/54/06/77/601540677.db2.gz	IZEGQHPOLALYSH-PSASIEDQSA-N	-1	1	340.405	-0.206	20	50		EBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNc1cccc([N+](=O)[O-])c1	ZINC000826425463	607712635	/nfs/dbraw/zinc/71/26/35/607712635.db2.gz	FHYVVBZOXKAOGH-UHFFFAOYSA-N	-1	1	330.268	-0.490	20	50		EBGDMM
O=C([O-])NCC(=O)NCC(=O)NNC(=O)c1cc2ccccc2o1	ZINC000834198839	605389525	/nfs/dbraw/zinc/38/95/25/605389525.db2.gz	PPIYDWBLLLCIRK-UHFFFAOYSA-N	-1	1	334.288	-0.422	20	50		EBGDMM
O=C([O-])NCCNC(=O)NNC(=O)c1cccc(-c2nnc[nH]2)c1	ZINC000834243299	605432795	/nfs/dbraw/zinc/43/27/95/605432795.db2.gz	IUIQOVOYZMRXJJ-UHFFFAOYSA-N	-1	1	333.308	-0.317	20	50		EBGDMM
CSCCNC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000826229165	608765345	/nfs/dbraw/zinc/76/53/45/608765345.db2.gz	RWVXCXAJCKKHNH-UHFFFAOYSA-N	-1	1	338.422	-0.266	20	50		EBGDMM
CSCCNC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000826229165	608765346	/nfs/dbraw/zinc/76/53/46/608765346.db2.gz	RWVXCXAJCKKHNH-UHFFFAOYSA-N	-1	1	338.422	-0.266	20	50		EBGDMM
N#Cc1ccc(C(=O)NNC(=O)Cn2ccnc2-c2nnn[n-]2)cc1	ZINC000826384002	608892815	/nfs/dbraw/zinc/89/28/15/608892815.db2.gz	BKVIERQHRYNPML-UHFFFAOYSA-N	-1	1	337.303	-0.604	20	50		EBGDMM
N#Cc1ccc(C(=O)NNC(=O)Cn2ccnc2-c2nn[n-]n2)cc1	ZINC000826384002	608892819	/nfs/dbraw/zinc/89/28/19/608892819.db2.gz	BKVIERQHRYNPML-UHFFFAOYSA-N	-1	1	337.303	-0.604	20	50		EBGDMM
O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc[n+]([O-])c1	ZINC000738136068	945229216	/nfs/dbraw/zinc/22/92/16/945229216.db2.gz	DZUTVCQQIYQFGE-UHFFFAOYSA-N	-1	1	325.288	-0.425	20	50		EBGDMM
Cc1ccccc1CC(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000822356139	946067444	/nfs/dbraw/zinc/06/74/44/946067444.db2.gz	KMAIZBPUOLDSRX-UHFFFAOYSA-N	-1	1	341.335	-0.843	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)c2ccncc2)c1-c1nnn[n-]1	ZINC000826348268	948070900	/nfs/dbraw/zinc/07/09/00/948070900.db2.gz	DZZPIXLBGCUYFN-UHFFFAOYSA-N	-1	1	328.292	-0.438	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)c2ccncc2)c1-c1nn[n-]n1	ZINC000826348268	948070909	/nfs/dbraw/zinc/07/09/09/948070909.db2.gz	DZZPIXLBGCUYFN-UHFFFAOYSA-N	-1	1	328.292	-0.438	20	50		EBGDMM
CC(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC001589396513	954382129	/nfs/dbraw/zinc/38/21/29/954382129.db2.gz	ZYJGKUYXXUCEOV-NQBHXWOUSA-N	-1	1	329.397	-0.010	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)n1	ZINC000832989275	601540225	/nfs/dbraw/zinc/54/02/25/601540225.db2.gz	IZEGQHPOLALYSH-WCBMZHEXSA-N	-1	1	340.405	-0.206	20	50		EBGDMM
O=C([O-])NCC(=O)NNC(=O)CC1(N2CCOCC2)CCCC1	ZINC000834201091	605447536	/nfs/dbraw/zinc/44/75/36/605447536.db2.gz	SDTNAOAHBPMWJV-UHFFFAOYSA-N	-1	1	328.369	-0.564	20	50		EBGDMM
O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)cc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000826445274	608121053	/nfs/dbraw/zinc/12/10/53/608121053.db2.gz	NADVJIHNTXYOBK-UHFFFAOYSA-N	-1	1	343.263	-0.427	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)NCc2ccco2)c1-c1nnn[n-]1	ZINC000826348291	948070981	/nfs/dbraw/zinc/07/09/81/948070981.db2.gz	FTNFTLPOMOHUDO-UHFFFAOYSA-N	-1	1	346.307	-0.171	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)NCc2ccco2)c1-c1nn[n-]n1	ZINC000826348291	948070985	/nfs/dbraw/zinc/07/09/85/948070985.db2.gz	FTNFTLPOMOHUDO-UHFFFAOYSA-N	-1	1	346.307	-0.171	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C[C@@H](C)O1	ZINC001589395518	954363873	/nfs/dbraw/zinc/36/38/73/954363873.db2.gz	KADSUNPVXPCCTL-DDHJBXDOSA-N	-1	1	327.381	-0.256	20	50		EBGDMM
CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC001589396518	954383401	/nfs/dbraw/zinc/38/34/01/954383401.db2.gz	ZYJGKUYXXUCEOV-WZRBSPASSA-N	-1	1	329.397	-0.010	20	50		EBGDMM
CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	ZINC000736806457	978357407	/nfs/dbraw/zinc/35/74/07/978357407.db2.gz	CMYICZKRBBNFTA-GVXVVHGQSA-N	-1	1	344.412	-0.075	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)n1	ZINC000832989274	601540211	/nfs/dbraw/zinc/54/02/11/601540211.db2.gz	IZEGQHPOLALYSH-SCZZXKLOSA-N	-1	1	340.405	-0.206	20	50		EBGDMM
Cc1ncsc1C(=O)NNC(=O)NNC(=O)CCCNC(=O)[O-]	ZINC000833918140	605817099	/nfs/dbraw/zinc/81/70/99/605817099.db2.gz	OXKSWBDDJKXWHZ-UHFFFAOYSA-N	-1	1	344.353	-0.525	20	50		EBGDMM
Cc1cccc(C(=O)NNC(=O)Cn2ccnc2-c2nnn[n-]2)c1	ZINC000826295847	608888722	/nfs/dbraw/zinc/88/87/22/608888722.db2.gz	AISFAJWQOSUYNK-UHFFFAOYSA-N	-1	1	326.320	-0.167	20	50		EBGDMM
Cc1cccc(C(=O)NNC(=O)Cn2ccnc2-c2nn[n-]n2)c1	ZINC000826295847	608888726	/nfs/dbraw/zinc/88/87/26/608888726.db2.gz	AISFAJWQOSUYNK-UHFFFAOYSA-N	-1	1	326.320	-0.167	20	50		EBGDMM
N#Cc1ccc(C(=O)NNC(=O)C2=S=CC(c3nn[n-]n3)=C2)cc1	ZINC000822822854	946197166	/nfs/dbraw/zinc/19/71/66/946197166.db2.gz	FLQZUUHOXKAOEZ-UHFFFAOYSA-N	-1	1	339.340	-0.363	20	50		EBGDMM
NC(=O)c1ccc(=NNC(=O)Nc2cccc(-c3nn[nH]n3)c2)[n-]n1	ZINC000822885457	946210689	/nfs/dbraw/zinc/21/06/89/946210689.db2.gz	QDKPFOQCZZHUQQ-UHFFFAOYSA-N	-1	1	340.307	-0.096	20	50		EBGDMM
O=C(CCC1CCCCC1)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000822950719	946230495	/nfs/dbraw/zinc/23/04/95/946230495.db2.gz	YZUMIQCEUKDEDB-UHFFFAOYSA-N	-1	1	347.383	-0.034	20	50		EBGDMM
COC[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	ZINC001593966792	956558110	/nfs/dbraw/zinc/55/81/10/956558110.db2.gz	BGCQRALLASDOLB-ABAIWWIYSA-N	-1	1	329.397	-0.009	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CCCNC(=O)[O-])C[C@@H](C)O1	ZINC000736807125	978357529	/nfs/dbraw/zinc/35/75/29/978357529.db2.gz	FEXYGSJTMIXIOF-GHMZBOCLSA-N	-1	1	330.385	-0.319	20	50		EBGDMM
O=C(CCn1cc[n-]c(=O)c1=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826409552	607350494	/nfs/dbraw/zinc/35/04/94/607350494.db2.gz	FLIZBRNRQAPOJU-UHFFFAOYSA-N	-1	1	342.319	-0.750	20	50		EBGDMM
O=C(CCn1cc[n-]c(=O)c1=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826409719	607726277	/nfs/dbraw/zinc/72/62/77/607726277.db2.gz	MGKPHLLGHVTAME-UHFFFAOYSA-N	-1	1	342.319	-0.750	20	50		EBGDMM
O=C([O-])NCC(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1O	ZINC000834199057	605400242	/nfs/dbraw/zinc/40/02/42/605400242.db2.gz	TVKYTDYJKSCSQT-UHFFFAOYSA-N	-1	1	344.711	-0.810	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CN(C)CCO2)o1	ZINC000820202058	945375723	/nfs/dbraw/zinc/37/57/23/945375723.db2.gz	FDTJSUDYAUBEKN-QMMMGPOBSA-N	-1	1	336.356	-0.248	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2CC[C@@H](C(=O)[O-])C2)n1	ZINC000818976728	955427317	/nfs/dbraw/zinc/42/73/17/955427317.db2.gz	FRCQWPUGROUEQV-SECBINFHSA-N	-1	1	326.378	-0.452	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)c2c[nH]c(C(=O)[O-])c2)C[C@H](C)O1	ZINC001594507681	985731604	/nfs/dbraw/zinc/73/16/04/985731604.db2.gz	AMAMUBXWJHHVKX-AOOOYVTPSA-N	-1	1	338.364	-0.027	20	50		EBGDMM
CNC(=O)C1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CC1	ZINC000736871330	944904064	/nfs/dbraw/zinc/90/40/64/944904064.db2.gz	PGJDWRZADLMPQB-UHFFFAOYSA-N	-1	1	334.340	-0.053	20	50		EBGDMM
NC(=O)c1ccc(=NNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)[n-]n1	ZINC000822886045	946210063	/nfs/dbraw/zinc/21/00/63/946210063.db2.gz	ZJEUQQNLXBTNEX-UHFFFAOYSA-N	-1	1	340.307	-0.096	20	50		EBGDMM
O=C(CCc1ccccc1)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000822982814	946246642	/nfs/dbraw/zinc/24/66/42/946246642.db2.gz	IXBVUJKXHWZGLL-UHFFFAOYSA-N	-1	1	341.335	-0.762	20	50		EBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NNC(=O)NC1CCCCC1	ZINC000823131017	946325128	/nfs/dbraw/zinc/32/51/28/946325128.db2.gz	AYESCZQZHMIIJC-UHFFFAOYSA-N	-1	1	334.344	-0.879	20	50		EBGDMM
COCCCNC(=O)NNC(=O)Cc1noc(C)c1-c1nnn[n-]1	ZINC000826156874	947493586	/nfs/dbraw/zinc/49/35/86/947493586.db2.gz	XORHGTCJOMSGGY-UHFFFAOYSA-N	-1	1	338.328	-0.927	20	50		EBGDMM
COCCCNC(=O)NNC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000826156874	947493592	/nfs/dbraw/zinc/49/35/92/947493592.db2.gz	XORHGTCJOMSGGY-UHFFFAOYSA-N	-1	1	338.328	-0.927	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CSCC(=O)[O-])C[C@@H](C)O1	ZINC000739183444	955252188	/nfs/dbraw/zinc/25/21/88/955252188.db2.gz	SGIMUQSGXXYINX-NXEZZACHSA-N	-1	1	333.410	-0.549	20	50		EBGDMM
O=C(CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1)NNC(=O)c1ccccc1	ZINC001574527326	961892258	/nfs/dbraw/zinc/89/22/58/961892258.db2.gz	VVPHCBONTSXIHT-LRDDRELGSA-N	-1	1	333.344	-0.519	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)NNC(=O)C(C)(C)C	ZINC000833629079	605200778	/nfs/dbraw/zinc/20/07/78/605200778.db2.gz	QXICLTIDKBYIHY-LLVKDONJSA-N	-1	1	328.413	-0.339	20	50		EBGDMM
C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000820449754	945452455	/nfs/dbraw/zinc/45/24/55/945452455.db2.gz	BZQYXAJTIZYDMF-ZCFIWIBFSA-N	-1	1	343.394	-0.684	20	50		EBGDMM
CN1CCN(c2ccccc2CNC(=O)NNC(=O)C(=O)[O-])CC1	ZINC001598622822	994033049	/nfs/dbraw/zinc/03/30/49/994033049.db2.gz	GCBRRXKMCJLGEI-UHFFFAOYSA-N	-1	1	335.364	-0.647	20	50		EBGDMM
C[C@H](C(=O)NNc1ncc(F)cc1F)n1cnc(-c2nn[n-]n2)n1	ZINC001573730973	948586094	/nfs/dbraw/zinc/58/60/94/948586094.db2.gz	UNVRWBBGSDSSLL-RXMQYKEDSA-N	-1	1	336.266	-0.164	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN(C)C[C@@H](C)C(=O)[O-])n1	ZINC000738816569	978602774	/nfs/dbraw/zinc/60/27/74/978602774.db2.gz	SQKNNZKQCQAIFW-MRVPVSSYSA-N	-1	1	328.394	-0.206	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)C23CC(C(=O)[O-])(C2)C3)C[C@H](C)O1	ZINC001594508892	985761343	/nfs/dbraw/zinc/76/13/43/985761343.db2.gz	LZFNXDRRSGWGKN-IUOZQUQDSA-N	-1	1	339.392	-0.112	20	50		EBGDMM
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000828442295	601510754	/nfs/dbraw/zinc/51/07/54/601510754.db2.gz	ZUVXLAVGIPKLDR-ZWNOBZJWSA-N	-1	1	330.344	-0.028	20	50		EBGDMM
C[C@H](CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)NC(=O)[O-]	ZINC000824671835	603435040	/nfs/dbraw/zinc/43/50/40/603435040.db2.gz	MLVGTKIIEQWXLP-GMTAPVOTSA-N	-1	1	330.385	-0.321	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C(=O)[O-])C[C@@H](C)O1	ZINC000826059303	603999496	/nfs/dbraw/zinc/99/94/96/603999496.db2.gz	SUFLKJAYOZUVNJ-UTUOFQBUSA-N	-1	1	342.396	-0.225	20	50		EBGDMM
C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)NNC(=O)C(C)(C)C	ZINC000833629086	605200337	/nfs/dbraw/zinc/20/03/37/605200337.db2.gz	QXICLTIDKBYIHY-NSHDSACASA-N	-1	1	328.413	-0.339	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1ccccc1	ZINC000833628446	605245319	/nfs/dbraw/zinc/24/53/19/605245319.db2.gz	IJOXEWWMACBBJN-CYBMUJFWSA-N	-1	1	348.403	-0.072	20	50		EBGDMM
O=C(Cn1cnc(-c2nn[n-]n2)n1)NN=c1[nH]c2ccccc2[nH]1	ZINC000826425900	608549440	/nfs/dbraw/zinc/54/94/40/608549440.db2.gz	ZDWMRSUEVYSSJL-UHFFFAOYSA-N	-1	1	325.296	-0.522	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H]2CCNC(=O)C2)o1	ZINC000820203007	945378501	/nfs/dbraw/zinc/37/85/01/945378501.db2.gz	OIQSZDYAMORBIJ-SSDOTTSWSA-N	-1	1	334.340	-0.053	20	50		EBGDMM
COC[C@@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000326543797	951099646	/nfs/dbraw/zinc/09/96/46/951099646.db2.gz	LKZYGMMNNUZFRB-MRXNPFEDSA-N	-1	1	335.360	-0.129	20	50		EBGDMM
COC[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1	ZINC001593966796	956558892	/nfs/dbraw/zinc/55/88/92/956558892.db2.gz	BGCQRALLASDOLB-IAQYHMDHSA-N	-1	1	329.397	-0.009	20	50		EBGDMM
O=C([O-])COCCOCCNC(=O)NNc1ccnc2cccnc21	ZINC001606284607	973669939	/nfs/dbraw/zinc/66/99/39/973669939.db2.gz	GOQLISNCEXSSJT-UHFFFAOYSA-N	-1	1	349.347	-0.204	20	50		EBGDMM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000736806467	978357344	/nfs/dbraw/zinc/35/73/44/978357344.db2.gz	CMYICZKRBBNFTA-NQBHXWOUSA-N	-1	1	344.412	-0.075	20	50		EBGDMM
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC000828442294	601510732	/nfs/dbraw/zinc/51/07/32/601510732.db2.gz	ZUVXLAVGIPKLDR-MFKMUULPSA-N	-1	1	330.344	-0.028	20	50		EBGDMM
C[C@@H]1C[N@H+](CCC(=O)NNC(=O)C(C)(C)CNC(=O)[O-])C[C@H](C)O1	ZINC000826049276	603794387	/nfs/dbraw/zinc/79/43/87/603794387.db2.gz	LEMUDUWYJDCBMS-PHIMTYICSA-N	-1	1	344.412	-0.073	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)C(C)(C)CNC(=O)[O-])C[C@H](C)O1	ZINC000826049276	603794391	/nfs/dbraw/zinc/79/43/91/603794391.db2.gz	LEMUDUWYJDCBMS-PHIMTYICSA-N	-1	1	344.412	-0.073	20	50		EBGDMM
COC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)N[N-]C(=O)c1cccs1	ZINC000833721940	605241087	/nfs/dbraw/zinc/24/10/87/605241087.db2.gz	HTZQJAVOFFEBAF-ZDUSSCGKSA-N	-1	1	329.378	-0.022	20	50		EBGDMM
Cc1ccc(C(=O)NNC(=O)Cn2ccnc2-c2nnn[n-]2)cc1	ZINC000826281917	608893010	/nfs/dbraw/zinc/89/30/10/608893010.db2.gz	PIIKUBFMYBHMTH-UHFFFAOYSA-N	-1	1	326.320	-0.167	20	50		EBGDMM
Cc1ccc(C(=O)NNC(=O)Cn2ccnc2-c2nn[n-]n2)cc1	ZINC000826281917	608893011	/nfs/dbraw/zinc/89/30/11/608893011.db2.gz	PIIKUBFMYBHMTH-UHFFFAOYSA-N	-1	1	326.320	-0.167	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](O)C(C)(C)O)o1	ZINC001574424489	948852459	/nfs/dbraw/zinc/85/24/59/948852459.db2.gz	NGWMCJZYFUCUAQ-SSDOTTSWSA-N	-1	1	325.329	-0.447	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN[C@@H](C(=O)[O-])C(C)C)n1	ZINC000821147197	955494084	/nfs/dbraw/zinc/49/40/84/955494084.db2.gz	ZXGSQDWDFWMFKB-GFCCVEGCSA-N	-1	1	328.394	-0.160	20	50		EBGDMM
COC[C@]1(C(=O)[O-])CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	ZINC001593966798	956559220	/nfs/dbraw/zinc/55/92/20/956559220.db2.gz	BGCQRALLASDOLB-NHYWBVRUSA-N	-1	1	329.397	-0.009	20	50		EBGDMM
CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000736806472	978357056	/nfs/dbraw/zinc/35/70/56/978357056.db2.gz	CMYICZKRBBNFTA-WZRBSPASSA-N	-1	1	344.412	-0.075	20	50		EBGDMM
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@H]1C(=O)[O-]	ZINC000828442293	601510543	/nfs/dbraw/zinc/51/05/43/601510543.db2.gz	ZUVXLAVGIPKLDR-GXFFZTMASA-N	-1	1	330.344	-0.028	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H]2CCCN2C(=O)[O-])C[C@H](C)O1	ZINC000826059302	603999795	/nfs/dbraw/zinc/99/97/95/603999795.db2.gz	SUFLKJAYOZUVNJ-TUAOUCFPSA-N	-1	1	342.396	-0.225	20	50		EBGDMM
Cc1ncsc1C(=O)NNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000830835169	604840097	/nfs/dbraw/zinc/84/00/97/604840097.db2.gz	XOHVLJXVVOPBID-MRVPVSSYSA-N	-1	1	328.350	-0.019	20	50		EBGDMM
O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1[nH]ncc1[N+](=O)[O-]	ZINC000826445190	608123014	/nfs/dbraw/zinc/12/30/14/608123014.db2.gz	KEYSZYWLEFJHTG-UHFFFAOYSA-N	-1	1	343.263	-0.427	20	50		EBGDMM
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823005378	946264752	/nfs/dbraw/zinc/26/47/52/946264752.db2.gz	OKWOLRMSOUQTTR-UHFFFAOYSA-N	-1	1	329.276	-0.067	20	50		EBGDMM
O=C(CNC(=O)c1ccco1)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823005378	946264758	/nfs/dbraw/zinc/26/47/58/946264758.db2.gz	OKWOLRMSOUQTTR-UHFFFAOYSA-N	-1	1	329.276	-0.067	20	50		EBGDMM
CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC001589396511	954381564	/nfs/dbraw/zinc/38/15/64/954381564.db2.gz	ZYJGKUYXXUCEOV-LOWVWBTDSA-N	-1	1	329.397	-0.010	20	50		EBGDMM
C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)[O-]	ZINC000828442292	601510917	/nfs/dbraw/zinc/51/09/17/601510917.db2.gz	ZUVXLAVGIPKLDR-GWCFXTLKSA-N	-1	1	330.344	-0.028	20	50		EBGDMM
O=C([O-])NCC(=O)NNC(=O)CCNC(=O)c1n[nH]c2ccccc21	ZINC000834200606	605462834	/nfs/dbraw/zinc/46/28/34/605462834.db2.gz	NMRBKIASOLGKQT-UHFFFAOYSA-N	-1	1	348.319	-0.902	20	50		EBGDMM
NC(=O)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1	ZINC000833983429	605762085	/nfs/dbraw/zinc/76/20/85/605762085.db2.gz	UWNNRZOXFUZHPS-QMMMGPOBSA-N	-1	1	334.288	-0.295	20	50		EBGDMM
O=C(Cn1ccnc1-c1nnn[n-]1)NNC(=O)c1ccc(F)cc1	ZINC000826424733	608012991	/nfs/dbraw/zinc/01/29/91/608012991.db2.gz	AKNNFKAQLJPNPW-UHFFFAOYSA-N	-1	1	330.283	-0.337	20	50		EBGDMM
O=C(Cn1ccnc1-c1nn[n-]n1)NNC(=O)c1ccc(F)cc1	ZINC000826424733	608012992	/nfs/dbraw/zinc/01/29/92/608012992.db2.gz	AKNNFKAQLJPNPW-UHFFFAOYSA-N	-1	1	330.283	-0.337	20	50		EBGDMM
Cc1c(C=C(C#N)C(=O)Nc2nn[n-]n2)cc(-c2nn[nH]n2)n1C	ZINC000737213247	945001155	/nfs/dbraw/zinc/00/11/55/945001155.db2.gz	RCCLEYURNCFLQG-FPYGCLRLSA-N	-1	1	325.296	-0.428	20	50		EBGDMM
Cc1c(C=C(C#N)C(=O)NCc2nn[n-]n2)cc(-c2nn[nH]n2)n1C	ZINC000737213888	945008217	/nfs/dbraw/zinc/00/82/17/945008217.db2.gz	YFOWLKFMRANQQM-OQFOIZHKSA-N	-1	1	339.323	-0.750	20	50		EBGDMM
Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)NNC(=O)C2CC2)n1	ZINC000822427636	946088803	/nfs/dbraw/zinc/08/88/03/946088803.db2.gz	SDCWXNJDWHRHJQ-UHFFFAOYSA-N	-1	1	348.392	-0.077	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)C23CC(C(=O)[O-])(C2)C3)C[C@H](C)O1	ZINC001594508893	985761374	/nfs/dbraw/zinc/76/13/74/985761374.db2.gz	LZFNXDRRSGWGKN-YXEONTRPSA-N	-1	1	339.392	-0.112	20	50		EBGDMM
COc1cccc(NNC(=O)NCCC(=O)NCCC(=O)[O-])n1	ZINC001599679938	994962069	/nfs/dbraw/zinc/96/20/69/994962069.db2.gz	PNPQQDPQLLTSNM-UHFFFAOYSA-N	-1	1	325.325	-0.303	20	50		EBGDMM
C[C@H](CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1)NC(=O)[O-]	ZINC000824671837	603435047	/nfs/dbraw/zinc/43/50/47/603435047.db2.gz	MLVGTKIIEQWXLP-VWYCJHECSA-N	-1	1	330.385	-0.321	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)[C@H]2CCCN2C(=O)[O-])C[C@H](C)O1	ZINC000826059300	603999538	/nfs/dbraw/zinc/99/95/38/603999538.db2.gz	SUFLKJAYOZUVNJ-GRYCIOLGSA-N	-1	1	342.396	-0.225	20	50		EBGDMM
CC[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1	ZINC000827524919	605154139	/nfs/dbraw/zinc/15/41/39/605154139.db2.gz	SXJLGDBOADHIHV-MXWKQRLJSA-N	-1	1	330.385	-0.321	20	50		EBGDMM
CC(C)c1nc(C#N)c(NNC(=O)Cn2cnc(-c3nn[n-]n3)n2)o1	ZINC000820203898	945380775	/nfs/dbraw/zinc/38/07/75/945380775.db2.gz	YZTMIHGIUMBYMX-UHFFFAOYSA-N	-1	1	343.311	-0.415	20	50		EBGDMM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000736806469	978357084	/nfs/dbraw/zinc/35/70/84/978357084.db2.gz	CMYICZKRBBNFTA-NTZNESFSSA-N	-1	1	344.412	-0.075	20	50		EBGDMM
CN1CCN(c2ccc(CNC(=O)NNC(=O)C(=O)[O-])cc2)CC1	ZINC001598622415	994025286	/nfs/dbraw/zinc/02/52/86/994025286.db2.gz	IOEWCCIQJMZDHS-UHFFFAOYSA-N	-1	1	335.364	-0.647	20	50		EBGDMM
Cc1ccccc1C(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000822345409	946060125	/nfs/dbraw/zinc/06/01/25/946060125.db2.gz	IHHGZDKIJVWGNN-UHFFFAOYSA-N	-1	1	327.308	-0.772	20	50		EBGDMM
Cc1n[nH]cc1C(=O)NNC(=O)Cc1noc(C)c1-c1nn[n-]n1	ZINC000826322259	947943815	/nfs/dbraw/zinc/94/38/15/947943815.db2.gz	FCOSWWLUAGVCJH-UHFFFAOYSA-N	-1	1	331.296	-0.802	20	50		EBGDMM
C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)[O-]	ZINC000828438531	601510607	/nfs/dbraw/zinc/51/06/07/601510607.db2.gz	DUMBXSDONDXYNJ-GXFFZTMASA-N	-1	1	330.344	-0.028	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN2CC[C@](C)(C(=O)[O-])C2)n1	ZINC000832990009	601953852	/nfs/dbraw/zinc/95/38/52/601953852.db2.gz	ZJSZVPPWJVHDOG-AWEZNQCLSA-N	-1	1	340.405	-0.062	20	50		EBGDMM
O=C([O-])NCC(=O)NCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1	ZINC000834199342	605400395	/nfs/dbraw/zinc/40/03/95/605400395.db2.gz	ZCKIBAJYPJPTNJ-UHFFFAOYSA-N	-1	1	334.292	-0.838	20	50		EBGDMM
C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1	ZINC000820449753	945453201	/nfs/dbraw/zinc/45/32/01/945453201.db2.gz	BZQYXAJTIZYDMF-LURJTMIESA-N	-1	1	343.394	-0.684	20	50		EBGDMM
Cc1cc(C(=O)[N-]NC(=O)Cc2cccc(-c3nn[nH]n3)c2)n[nH]1	ZINC000822177272	945971349	/nfs/dbraw/zinc/97/13/49/945971349.db2.gz	WXZGJSBNCGUXHT-UHFFFAOYSA-N	-1	1	326.320	-0.098	20	50		EBGDMM
COC[C@]1(C(=O)[O-])CCN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000326543794	951099683	/nfs/dbraw/zinc/09/96/83/951099683.db2.gz	LKZYGMMNNUZFRB-INIZCTEOSA-N	-1	1	335.360	-0.129	20	50		EBGDMM
Cc1csc(CC(=O)NNC(=O)CN(C)C[C@H](C)C(=O)[O-])n1	ZINC000738816570	978602761	/nfs/dbraw/zinc/60/27/61/978602761.db2.gz	SQKNNZKQCQAIFW-QMMMGPOBSA-N	-1	1	328.394	-0.206	20	50		EBGDMM
C[C@H]1CC[C@@H](C(=O)NNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)O1	ZINC001594519458	985956143	/nfs/dbraw/zinc/95/61/43/985956143.db2.gz	VRHRBBOWNFCLRR-WOPDTQHZSA-N	-1	1	342.396	-0.225	20	50		EBGDMM
O=C([O-])NCC(=O)NN=C1CCN(CCN2CCOCC2)CC1	ZINC000834199592	605389586	/nfs/dbraw/zinc/38/95/86/605389586.db2.gz	DEDSUXMVCBXWNU-UHFFFAOYSA-N	-1	1	327.385	-0.846	20	50		EBGDMM
COc1cc([N+](=O)[O-])ccc1OC(=O)Cn1cnc(-c2nn[n-]n2)n1	ZINC000821727172	945849924	/nfs/dbraw/zinc/84/99/24/945849924.db2.gz	DNNBGRKIOMUHHW-UHFFFAOYSA-N	-1	1	346.263	-0.019	20	50		EBGDMM
O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)C1	ZINC000823273100	946373051	/nfs/dbraw/zinc/37/30/51/946373051.db2.gz	DGHDGLIRQDVICQ-ZETCQYMHSA-N	-1	1	340.390	-0.187	20	50		EBGDMM
COC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1	ZINC001593966800	956557712	/nfs/dbraw/zinc/55/77/12/956557712.db2.gz	BGCQRALLASDOLB-XHDPSFHLSA-N	-1	1	329.397	-0.009	20	50		EBGDMM
C[C@@H]1CN(CCC(=O)NNC(=O)CCCNC(=O)[O-])C[C@H](C)O1	ZINC000736807127	978357713	/nfs/dbraw/zinc/35/77/13/978357713.db2.gz	FEXYGSJTMIXIOF-PHIMTYICSA-N	-1	1	330.385	-0.319	20	50		EBGDMM
O=C([O-])NCC(=O)NNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1	ZINC000834200728	605456573	/nfs/dbraw/zinc/45/65/73/605456573.db2.gz	PGVMZLDAIPNSND-GFCCVEGCSA-N	-1	1	335.364	-0.291	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)Cn2ncn(C)c2=O)o1	ZINC000824359343	609449961	/nfs/dbraw/zinc/44/99/61/609449961.db2.gz	WCQRALKHLXDVNS-UHFFFAOYSA-N	-1	1	348.327	-0.983	20	50		EBGDMM
COC[C@](C)(O)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1	ZINC000821681923	945805101	/nfs/dbraw/zinc/80/51/01/945805101.db2.gz	VOIGLMILRMRYSG-LBPRGKRZSA-N	-1	1	325.329	-0.181	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)c2cccn2C)c1-c1nnn[n-]1	ZINC000826348256	948071044	/nfs/dbraw/zinc/07/10/44/948071044.db2.gz	DFUAFGCBWSJLGY-UHFFFAOYSA-N	-1	1	330.308	-0.495	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)c2cccn2C)c1-c1nn[n-]n1	ZINC000826348256	948071047	/nfs/dbraw/zinc/07/10/47/948071047.db2.gz	DFUAFGCBWSJLGY-UHFFFAOYSA-N	-1	1	330.308	-0.495	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)NC2CCCC2)c1-c1nnn[n-]1	ZINC000826348371	948074237	/nfs/dbraw/zinc/07/42/37/948074237.db2.gz	JBTZOFBHNDBRLE-UHFFFAOYSA-N	-1	1	334.340	-0.021	20	50		EBGDMM
Cc1onc(CC(=O)NNC(=O)NC2CCCC2)c1-c1nn[n-]n1	ZINC000826348371	948074245	/nfs/dbraw/zinc/07/42/45/948074245.db2.gz	JBTZOFBHNDBRLE-UHFFFAOYSA-N	-1	1	334.340	-0.021	20	50		EBGDMM
O=C([O-])CN1CCC[C@H](C(=O)NNc2ccnc3cccnc32)C1=O	ZINC001595083416	951709218	/nfs/dbraw/zinc/70/92/18/951709218.db2.gz	QBOQRDVBXJBSDZ-SNVBAGLBSA-N	-1	1	343.343	-0.182	20	50		EBGDMM
CC(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC001589396516	954382792	/nfs/dbraw/zinc/38/27/92/954382792.db2.gz	ZYJGKUYXXUCEOV-NTZNESFSSA-N	-1	1	329.397	-0.010	20	50		EBGDMM
C[C@H]1CC[C@@H](C(=O)NNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)O1	ZINC001594519457	985955266	/nfs/dbraw/zinc/95/52/66/985955266.db2.gz	VRHRBBOWNFCLRR-SRVKXCTJSA-N	-1	1	342.396	-0.225	20	50		EBGDMM
C[C@@H]1C[N@H+](CCC(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)C[C@H](C)O1	ZINC000833623247	605867776	/nfs/dbraw/zinc/86/77/76/605867776.db2.gz	RWGKPRXPVZCGKB-DTORHVGOSA-N	-1	1	340.336	-0.367	20	50		EBGDMM
CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H]2CCNC(=O)C2)o1	ZINC000820203009	945377460	/nfs/dbraw/zinc/37/74/60/945377460.db2.gz	OIQSZDYAMORBIJ-ZETCQYMHSA-N	-1	1	334.340	-0.053	20	50		EBGDMM
CC[C@H](NC(=O)[O-])C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1	ZINC000827524918	605154164	/nfs/dbraw/zinc/15/41/64/605154164.db2.gz	SXJLGDBOADHIHV-DCAQKATOSA-N	-1	1	330.385	-0.321	20	50		EBGDMM
O=C([O-])NCC(=O)NNC(=O)[C@H]1CCCN(Cc2cccnc2)C1	ZINC000834200730	605456919	/nfs/dbraw/zinc/45/69/19/605456919.db2.gz	PGVMZLDAIPNSND-LBPRGKRZSA-N	-1	1	335.364	-0.291	20	50		EBGDMM
O=C([O-])NCC(=O)NNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1	ZINC000834202947	605488008	/nfs/dbraw/zinc/48/80/08/605488008.db2.gz	COGBYZGKKFNDCX-UHFFFAOYSA-N	-1	1	337.317	-0.347	20	50		EBGDMM
C[C@H]1CN(CCC(=O)NNC(=O)CSCC(=O)[O-])C[C@H](C)O1	ZINC000739183446	955252699	/nfs/dbraw/zinc/25/26/99/955252699.db2.gz	SGIMUQSGXXYINX-UWVGGRQHSA-N	-1	1	333.410	-0.549	20	50		EBGDMM
CCOC(=O)c1cnc(=NNC(=O)[C@](C)(OC)C(=O)[O-])[nH]c1C	ZINC001603819914	974307020	/nfs/dbraw/zinc/30/70/20/974307020.db2.gz	XLWGZFBKBMQSAS-ZDUSSCGKSA-N	-1	1	326.309	-0.105	20	50		EBGDMM
CN1CCN(c2ccc(CCNC(=O)NNC(=O)C(=O)[O-])cc2)CC1	ZINC001598622705	994031635	/nfs/dbraw/zinc/03/16/35/994031635.db2.gz	WNHAQVQZONLBKO-UHFFFAOYSA-N	-1	1	349.391	-0.604	20	50		EBGDMM