smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)NCCNC(=O)c1csc(C(=O)[O-])n1	ZINC000227273794	790433486	/nfs/dbraw/zinc/43/34/86/790433486.db2.gz	TUOQVNLJMRWHCO-UHFFFAOYSA-N	-1	0	286.313	-0.158	50	0		CBAARM
C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc(N)nc1	ZINC000823692192	790848704	/nfs/dbraw/zinc/84/87/04/790848704.db2.gz	RTODMOCTZCLBLT-UHFFFAOYSA-N	-1	0	266.301	-0.248	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCc1ccc(F)cc1	ZINC000827863927	790871354	/nfs/dbraw/zinc/87/13/54/790871354.db2.gz	FOGFVVLFJNANON-UHFFFAOYSA-N	-1	0	264.264	-0.416	50	0		CBAARM
CCNC(=O)[C@H](C)[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000585115230	884564946	/nfs/dbraw/zinc/56/49/46/884564946.db2.gz	RPWYYUMBXHOBSV-QMMMGPOBSA-N	-1	0	299.418	-0.147	50	0		CBAARM
CN(CCN1CCOCC1)c1nccnc1C(=O)[O-]	ZINC001506400601	921574227	/nfs/dbraw/zinc/57/42/27/921574227.db2.gz	BDNJXAHSYRXWEC-UHFFFAOYSA-N	-1	0	266.301	-0.057	50	0		CBAARM
CC(C)c1nnsc1CNC(=O)Cn1[n-]nnc1=N	ZINC001506399286	921574684	/nfs/dbraw/zinc/57/46/84/921574684.db2.gz	LQRFRNBJBZMZRO-UHFFFAOYSA-N	-1	0	282.333	-0.623	50	0		CBAARM
Cc1cc(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])on1	ZINC000222584759	230398065	/nfs/dbraw/zinc/39/80/65/230398065.db2.gz	FJCZJMVTZGBNCI-GHMZBOCLSA-N	-1	0	298.295	-0.100	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000096930568	185132526	/nfs/dbraw/zinc/13/25/26/185132526.db2.gz	JKACUXCTUOMLPE-BDAKNGLRSA-N	-1	0	291.238	-0.184	50	0		CBAARM
Cc1nc2[n-]c(C(=O)N3CCOCC3)nn2c(=O)c1C	ZINC000102710221	185788368	/nfs/dbraw/zinc/78/83/68/185788368.db2.gz	VDPVMHAFVSOTQL-UHFFFAOYSA-N	-1	0	277.284	-0.081	50	0		CBAARM
O=C([O-])[C@@H](CO)NS(=O)(=O)Cc1ccccc1	ZINC000000174782	351299558	/nfs/dbraw/zinc/29/95/58/351299558.db2.gz	QQSWKFFTXRWHDX-SECBINFHSA-N	-1	0	259.283	-0.449	50	0		CBAARM
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000000874512	351300960	/nfs/dbraw/zinc/30/09/60/351300960.db2.gz	LYBZUTGQYQWJQH-RCOVLWMOSA-N	-1	0	277.273	-0.062	50	0		CBAARM
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000000874515	351301337	/nfs/dbraw/zinc/30/13/37/351301337.db2.gz	LYBZUTGQYQWJQH-MUWHJKNJSA-N	-1	0	277.273	-0.062	50	0		CBAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NCc1ccco1	ZINC000000851034	351301711	/nfs/dbraw/zinc/30/17/11/351301711.db2.gz	WHSGHKWKESYCJW-UHFFFAOYSA-N	-1	0	264.241	-0.700	50	0		CBAARM
CCC(NN1CCN(C)CC1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000001278701	351302437	/nfs/dbraw/zinc/30/24/37/351302437.db2.gz	DGSVTXSYFBPGKR-UHFFFAOYSA-N	-1	0	281.316	-0.187	50	0		CBAARM
COCCOC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000001747373	351305501	/nfs/dbraw/zinc/30/55/01/351305501.db2.gz	YWXRUXCDRLDWDG-YFKPBYRVSA-N	-1	0	275.286	-0.872	50	0		CBAARM
C[C@@H](C(=O)NCCC(=O)[O-])n1nnc2ccccc2c1=O	ZINC000002326170	351308126	/nfs/dbraw/zinc/30/81/26/351308126.db2.gz	BWGVYOKRLXAQGW-QMMMGPOBSA-N	-1	0	290.279	-0.057	50	0		CBAARM
COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1	ZINC000002641147	351310505	/nfs/dbraw/zinc/31/05/05/351310505.db2.gz	VJAHSOIECXJUPQ-OIBJUYFYSA-N	-1	0	289.309	-0.193	50	0		CBAARM
CNC(=O)c1[nH]nnc1[N-]S(=O)(=O)c1ccccc1	ZINC000004499991	351318981	/nfs/dbraw/zinc/31/89/81/351318981.db2.gz	IVWMQILSRCSYOE-UHFFFAOYSA-N	-1	0	281.297	-0.035	50	0		CBAARM
Cn1c(=O)oc2cc(S(=O)(=O)NCC(=O)[O-])ccc21	ZINC000004504451	351319123	/nfs/dbraw/zinc/31/91/23/351319123.db2.gz	HTOAOSQMBATFGO-UHFFFAOYSA-N	-1	0	286.265	-0.506	50	0		CBAARM
C[C@H](CN1CCOCC1)NC(=O)c1c(C(=O)[O-])cnn1C	ZINC000012357952	351333003	/nfs/dbraw/zinc/33/30/03/351333003.db2.gz	XLJFBEZNOGFWFO-SECBINFHSA-N	-1	0	296.327	-0.431	50	0		CBAARM
O=C([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000026475704	351366965	/nfs/dbraw/zinc/36/69/65/351366965.db2.gz	TZQXBPJFWCSNDR-ZRUFSTJUSA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O	ZINC000032789984	351380396	/nfs/dbraw/zinc/38/03/96/351380396.db2.gz	QPFQYMONYBAUCY-BHNWBGBOSA-N	-1	0	276.314	-0.522	50	0		CBAARM
CS(=O)(=O)Nc1ccc(-n2nnc(C(=O)[O-])c2N)cc1	ZINC000033435969	351383352	/nfs/dbraw/zinc/38/33/52/351383352.db2.gz	GCDBCNXMSVKIJC-UHFFFAOYSA-N	-1	0	297.296	-0.081	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(CCO)CC1	ZINC000034926344	351386368	/nfs/dbraw/zinc/38/63/68/351386368.db2.gz	AODQYMOBHVHVCZ-UWVGGRQHSA-N	-1	0	270.329	-0.520	50	0		CBAARM
CCC[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000036836669	351394493	/nfs/dbraw/zinc/39/44/93/351394493.db2.gz	FCKHENQCUWPADA-ZETCQYMHSA-N	-1	0	260.315	-0.111	50	0		CBAARM
COCCn1nc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1=O	ZINC000037435190	351398593	/nfs/dbraw/zinc/39/85/93/351398593.db2.gz	FTIMVQHBJVQRTK-SNVBAGLBSA-N	-1	0	295.295	-0.421	50	0		CBAARM
CN(CC(=O)[O-])S(=O)(=O)c1csc(C(N)=O)c1	ZINC000016624926	351345625	/nfs/dbraw/zinc/34/56/25/351345625.db2.gz	BNXBEMSIHAOLBA-UHFFFAOYSA-N	-1	0	278.311	-0.448	50	0		CBAARM
COc1ccc(CC(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000019266644	351349200	/nfs/dbraw/zinc/34/92/00/351349200.db2.gz	WHJMBOVLKGVGGM-SNVBAGLBSA-N	-1	0	253.254	-0.201	50	0		CBAARM
CO[N-]C(=O)CNC1=NS(=O)(=O)c2ccccc21	ZINC000025821134	351364075	/nfs/dbraw/zinc/36/40/75/351364075.db2.gz	ROOXUHPCKZIYPZ-UHFFFAOYSA-N	-1	0	269.282	-0.597	50	0		CBAARM
C[C@H](CN(C)C(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000042696335	351436204	/nfs/dbraw/zinc/43/62/04/351436204.db2.gz	ZBEVTJPFRGLQLQ-SSDOTTSWSA-N	-1	0	260.315	-0.302	50	0		CBAARM
CC(C)N1C[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O	ZINC000043701866	351442435	/nfs/dbraw/zinc/44/24/35/351442435.db2.gz	LVTKLGDDIAWIMJ-NXEZZACHSA-N	-1	0	284.312	-0.445	50	0		CBAARM
CC(C)N1C[C@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O	ZINC000043701862	351442578	/nfs/dbraw/zinc/44/25/78/351442578.db2.gz	LVTKLGDDIAWIMJ-ZJUUUORDSA-N	-1	0	284.312	-0.445	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000037931965	351411316	/nfs/dbraw/zinc/41/13/16/351411316.db2.gz	JUTMTTDWZJBGAT-MRVPVSSYSA-N	-1	0	278.330	-0.657	50	0		CBAARM
O=C([O-])CNC(=O)Cn1ncc2ccccc2c1=O	ZINC000049545830	351494923	/nfs/dbraw/zinc/49/49/23/351494923.db2.gz	OBDHXUZJWJNXOB-UHFFFAOYSA-N	-1	0	261.237	-0.403	50	0		CBAARM
O=C([O-])[C@@H]1CCC(=O)N(CCN2CCOCC2)C1	ZINC000050919790	351504852	/nfs/dbraw/zinc/50/48/52/351504852.db2.gz	OERDBLRPTVSJJH-SNVBAGLBSA-N	-1	0	256.302	-0.358	50	0		CBAARM
Nc1ccc(S(=O)(=O)[N-]c2nc(N)nc(N)n2)cc1	ZINC000048533514	351473841	/nfs/dbraw/zinc/47/38/41/351473841.db2.gz	DZTVDUANLCSTFM-UHFFFAOYSA-N	-1	0	281.301	-0.581	50	0		CBAARM
NC(=O)CNC(=O)Cc1csc([N-]c2ncccn2)n1	ZINC000049029403	351483410	/nfs/dbraw/zinc/48/34/10/351483410.db2.gz	ILQYLKNOPYZAQR-UHFFFAOYSA-N	-1	0	292.324	-0.179	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(C=O)CC1	ZINC000061721651	351571602	/nfs/dbraw/zinc/57/16/02/351571602.db2.gz	LSEFKNREWDEMMY-IUCAKERBSA-N	-1	0	254.286	-0.356	50	0		CBAARM
Cc1c(-c2n[nH]c(=O)n2CCC(=O)[O-])cnn1C	ZINC000065460332	351591764	/nfs/dbraw/zinc/59/17/64/351591764.db2.gz	XNUDBBVUBWSBQN-UHFFFAOYSA-N	-1	0	251.246	-0.245	50	0		CBAARM
C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)[C@H]1CCCO1	ZINC000065608410	351593185	/nfs/dbraw/zinc/59/31/85/351593185.db2.gz	LVTVLPDIQDHZJS-RKDXNWHRSA-N	-1	0	267.285	-0.780	50	0		CBAARM
CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000059881931	351562220	/nfs/dbraw/zinc/56/22/20/351562220.db2.gz	HQKRICBFYBEHKN-SECBINFHSA-N	-1	0	277.342	-0.010	50	0		CBAARM
Cc1[nH]nc(S(=O)(=O)N2CCNCC2)c1C(=O)[O-]	ZINC000070446571	351640177	/nfs/dbraw/zinc/64/01/77/351640177.db2.gz	WOGLLFSUOOUIMG-UHFFFAOYSA-N	-1	0	274.302	-0.990	50	0		CBAARM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1COc2ccccc21	ZINC000075093060	351665145	/nfs/dbraw/zinc/66/51/45/351665145.db2.gz	FCFPOSGZRULQDP-QMMMGPOBSA-N	-1	0	260.253	-0.110	50	0		CBAARM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1COc2ccccc21	ZINC000075093059	351665412	/nfs/dbraw/zinc/66/54/12/351665412.db2.gz	FCFPOSGZRULQDP-MRVPVSSYSA-N	-1	0	260.253	-0.110	50	0		CBAARM
C[C@H](Cn1cccn1)NC(=O)Cn1[n-]c(=O)ccc1=O	ZINC000089904336	351735534	/nfs/dbraw/zinc/73/55/34/351735534.db2.gz	VWMYQCIWHMHCJB-SECBINFHSA-N	-1	0	277.284	-0.650	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2	ZINC000100059401	351780338	/nfs/dbraw/zinc/78/03/38/351780338.db2.gz	IHKLIUBWIVJJQB-ZJUUUORDSA-N	-1	0	287.275	-0.015	50	0		CBAARM
O=C([O-])c1cccc(CN2CCOC[C@H]2CO)n1	ZINC000102546038	351785209	/nfs/dbraw/zinc/78/52/09/351785209.db2.gz	QRGWOQSWRQXAKG-SNVBAGLBSA-N	-1	0	252.270	-0.027	50	0		CBAARM
Cn1nnc([N-]S(=O)(=O)c2cccc(N)c2)n1	ZINC000127030954	351862787	/nfs/dbraw/zinc/86/27/87/351862787.db2.gz	QZJPJRNNDQEMCV-UHFFFAOYSA-N	-1	0	254.275	-0.407	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2cnnn2)c2ccccc21	ZINC000131969208	351889408	/nfs/dbraw/zinc/88/94/08/351889408.db2.gz	HKECRASIBUJRQJ-VIFPVBQESA-N	-1	0	273.252	-0.112	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCc1cn[nH]c1	ZINC000218904628	352235963	/nfs/dbraw/zinc/23/59/63/352235963.db2.gz	PQGOKZJJTQVQAS-GHMZBOCLSA-N	-1	0	297.311	-0.283	50	0		CBAARM
CC1(CNC(=O)c2c[nH]c(=O)[nH]c2=O)CCOCC1	ZINC000216175697	352231227	/nfs/dbraw/zinc/23/12/27/352231227.db2.gz	DMTACBZVWRPFPN-UHFFFAOYSA-N	-1	0	267.285	-0.390	50	0		CBAARM
CNC(=O)[C@@H]1CN(C(=O)CCC(=O)[O-])C[C@H]1COC	ZINC000257192790	352385653	/nfs/dbraw/zinc/38/56/53/352385653.db2.gz	VZVPAKVQENIVMQ-DTWKUNHWSA-N	-1	0	272.301	-0.682	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000261846347	352398410	/nfs/dbraw/zinc/39/84/10/352398410.db2.gz	PQGTXWXBMKDULZ-MRVPVSSYSA-N	-1	0	297.311	-0.360	50	0		CBAARM
O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@H]2CC(=O)N(C3CC3)C2)O1	ZINC000262269971	352413651	/nfs/dbraw/zinc/41/36/51/352413651.db2.gz	GPLCIJGTGBUVRO-UJNFCWOMSA-N	-1	0	282.296	-0.502	50	0		CBAARM
Cn1c(=O)[nH]cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1=O	ZINC000262584866	352427106	/nfs/dbraw/zinc/42/71/06/352427106.db2.gz	SAHGSEMDWLGPIW-MRVPVSSYSA-N	-1	0	281.268	-0.435	50	0		CBAARM
NC(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cn1	ZINC000299741464	352728125	/nfs/dbraw/zinc/72/81/25/352728125.db2.gz	FATHZHBSOFEXEA-SECBINFHSA-N	-1	0	263.253	-0.130	50	0		CBAARM
O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299744168	352728773	/nfs/dbraw/zinc/72/87/73/352728773.db2.gz	NSFVIVAOHQVFAU-SCZZXKLOSA-N	-1	0	292.295	-0.162	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299745443	352729070	/nfs/dbraw/zinc/72/90/70/352729070.db2.gz	ZDGMVHONSYCFRP-SSDOTTSWSA-N	-1	0	283.284	-0.750	50	0		CBAARM
O=C([O-])c1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1	ZINC000299749686	352729094	/nfs/dbraw/zinc/72/90/94/352729094.db2.gz	LIDKERRJFOPYDY-UHFFFAOYSA-N	-1	0	291.263	-0.447	50	0		CBAARM
O=C([O-])C[C@H]1CN(C(=O)COC[C@@H]2CCCO2)CCO1	ZINC000408513490	353926399	/nfs/dbraw/zinc/92/63/99/353926399.db2.gz	ZFJGNFPBGHVAOG-QWRGUYRKSA-N	-1	0	287.312	-0.116	50	0		CBAARM
Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cnc2ccnn21	ZINC000426420825	354242174	/nfs/dbraw/zinc/24/21/74/354242174.db2.gz	UIOUNEKWWISUIG-JTQLQIEISA-N	-1	0	290.279	-0.037	50	0		CBAARM
Cc1cccnc1C(=O)N1CCN(CC(=O)[O-])C(=O)C1	ZINC000426474130	354242261	/nfs/dbraw/zinc/24/22/61/354242261.db2.gz	FYNSYXSGLQZTHH-UHFFFAOYSA-N	-1	0	277.280	-0.241	50	0		CBAARM
O=C([O-])C1(NC(=O)CN2CCC[C@@H](O)C2)CCCC1	ZINC000426651334	354243933	/nfs/dbraw/zinc/24/39/33/354243933.db2.gz	NHPMCZRKRNORPO-SNVBAGLBSA-N	-1	0	270.329	-0.043	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)c1ccc(O)cn1	ZINC000426693695	354244068	/nfs/dbraw/zinc/24/40/68/354244068.db2.gz	HUXFMDIUSGCSOS-UHFFFAOYSA-N	-1	0	254.242	-0.040	50	0		CBAARM
CC1(C)C[C@H](O)CCN(C(=O)Cn2[n-]nnc2=N)C1	ZINC000584885504	355042022	/nfs/dbraw/zinc/04/20/22/355042022.db2.gz	YVZJFTLCIUYNLC-MRVPVSSYSA-N	-1	0	268.321	-0.905	50	0		CBAARM
O=C([O-])c1ccc(C(=O)N[C@@H]2COC(=O)C2)nc1	ZINC000585134797	355046925	/nfs/dbraw/zinc/04/69/25/355046925.db2.gz	KHSXTFKEFKRQMW-ZETCQYMHSA-N	-1	0	250.210	-0.175	50	0		CBAARM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)on1	ZINC000599202799	355472463	/nfs/dbraw/zinc/47/24/63/355472463.db2.gz	IPAWDEFYPVYEEF-SSDOTTSWSA-N	-1	0	290.297	-0.082	50	0		CBAARM
O=C([O-])CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O	ZINC000004321698	304048100	/nfs/dbraw/zinc/04/81/00/304048100.db2.gz	QPFQYMONYBAUCY-ZKWXMUAHSA-N	-1	0	276.314	-0.522	50	0	endogenous,in-man	CBAARM
O=C([O-])CC[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000050921595	304059281	/nfs/dbraw/zinc/05/92/81/304059281.db2.gz	HGLMPMRTAQXYEM-QMMMGPOBSA-N	-1	0	295.295	-0.077	50	0		CBAARM
O=C([O-])CNC(=O)N1CCN(c2ncccn2)CC1	ZINC000035321299	304068598	/nfs/dbraw/zinc/06/85/98/304068598.db2.gz	IESQCPQLCIAMHG-UHFFFAOYSA-N	-1	0	265.273	-0.607	50	0		CBAARM
[NH3+][C@@H](CCCC[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000001532666	372753305	/nfs/dbraw/zinc/75/33/05/372753305.db2.gz	ZDGJAHTZVHVLOT-YUMQZZPRSA-N	-1	0	276.289	-0.524	50	0	endogenous,in-man	CBAARM
CN(C)c1nc(C(=O)[O-])nc(N2CCOCC2)n1	ZINC000000540791	372753586	/nfs/dbraw/zinc/75/35/86/372753586.db2.gz	BGJCOWNPLPHIOI-UHFFFAOYSA-N	-1	0	253.262	-0.528	50	0		CBAARM
CCCn1ccnc1CNC(=O)CN1CC(=O)NC1=O	ZINC000223048764	372874756	/nfs/dbraw/zinc/87/47/56/372874756.db2.gz	JNEHUGWYDBYHOX-UHFFFAOYSA-N	-1	0	279.300	-0.539	50	0		CBAARM
CCCS(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000262691280	372911567	/nfs/dbraw/zinc/91/15/67/372911567.db2.gz	GLRQSZIGJLGRAN-QMMMGPOBSA-N	-1	0	263.315	-0.113	50	0		CBAARM
CN1C[C@@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1=O	ZINC000043510197	220193720	/nfs/dbraw/zinc/19/37/20/220193720.db2.gz	NCGYDATZCMMOJO-CPCISQLKSA-N	-1	0	272.326	-0.459	50	0		CBAARM
CCOC(=O)c1c[n-]n([C@@H]2CCS(=O)(=O)C2)c1=N	ZINC000334159550	206119593	/nfs/dbraw/zinc/11/95/93/206119593.db2.gz	XLLKRMFKLVRSJW-SSDOTTSWSA-N	-1	0	273.314	-0.168	50	0		CBAARM
O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccs1	ZINC000002557505	304203860	/nfs/dbraw/zinc/20/38/60/304203860.db2.gz	GPQQYSLEPAAZBE-NKWVEPMBSA-N	-1	0	277.323	-0.043	50	0		CBAARM
O=C([O-])c1cccc(C(=O)N2CCS(=O)(=O)CC2)n1	ZINC000036163357	304256311	/nfs/dbraw/zinc/25/63/11/304256311.db2.gz	FEALAHKKLPRQDT-UHFFFAOYSA-N	-1	0	284.293	-0.350	50	0		CBAARM
CC(C)(C)OC(=O)NCCC(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000408518140	220551245	/nfs/dbraw/zinc/55/12/45/220551245.db2.gz	VPKCCLYLQDYDAC-UHFFFAOYSA-N	-1	0	287.276	-0.326	50	0		CBAARM
O=C([O-])c1cccc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c1	ZINC000004000126	304264710	/nfs/dbraw/zinc/26/47/10/304264710.db2.gz	RUUZLIHBVMVENJ-DBIOUOCHSA-N	-1	0	269.253	-0.764	50	0		CBAARM
CC(C)N1C[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])CC1=O	ZINC000088375199	256853382	/nfs/dbraw/zinc/85/33/82/256853382.db2.gz	BIUYBWQZHOXGGX-UWVGGRQHSA-N	-1	0	284.312	-0.445	50	0		CBAARM
O=C([O-])c1cc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000019735240	134703661	/nfs/dbraw/zinc/70/36/61/134703661.db2.gz	PLTAUCRWFSTPNT-UHFFFAOYSA-N	-1	0	294.311	-0.152	50	0		CBAARM
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000002223276	169782091	/nfs/dbraw/zinc/78/20/91/169782091.db2.gz	DXLKBCNMVIPOJW-ZETCQYMHSA-N	-1	0	276.252	-0.619	50	0		CBAARM
O=C([O-])COCC(=O)Nc1ccc(-n2cnnn2)cc1	ZINC000002760411	169826110	/nfs/dbraw/zinc/82/61/10/169826110.db2.gz	BNVLZIQCHJVDRL-UHFFFAOYSA-N	-1	0	277.240	-0.298	50	0		CBAARM
Cc1c(C(=O)[O-])sc2[nH]c(=O)n(CCO)c(=O)c12	ZINC000006665021	170223479	/nfs/dbraw/zinc/22/34/79/170223479.db2.gz	HXDBIGFFAPUMGM-UHFFFAOYSA-N	-1	0	270.266	-0.250	50	0		CBAARM
O=C([O-])c1ccc(S(=O)(=O)N2CCOCC2)o1	ZINC000006721282	170232417	/nfs/dbraw/zinc/23/24/17/170232417.db2.gz	KUFFIEBVYHIWTO-UHFFFAOYSA-N	-1	0	261.255	-0.001	50	0		CBAARM
COc1ccc(C(=O)CC2(O)C(=O)[N-]C(=O)NC2=O)cc1	ZINC000009420321	170376342	/nfs/dbraw/zinc/37/63/42/170376342.db2.gz	NYMLUNFPRGMRNW-UHFFFAOYSA-N	-1	0	292.247	-0.635	50	0		CBAARM
NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)[O-]	ZINC000012505302	170491809	/nfs/dbraw/zinc/49/18/09/170491809.db2.gz	BMGRDOBVZXLURN-UHFFFAOYSA-N	-1	0	272.238	-0.674	50	0		CBAARM
C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000299747129	298849296	/nfs/dbraw/zinc/84/92/96/298849296.db2.gz	CALRWBYAWQYYOJ-GJMOJQLCSA-N	-1	0	263.315	-0.401	50	0		CBAARM
NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000022143991	171356006	/nfs/dbraw/zinc/35/60/06/171356006.db2.gz	ZOGWFTFUKWIUPV-SSDOTTSWSA-N	-1	0	290.272	-0.567	50	0		CBAARM
NC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000022148120	171357551	/nfs/dbraw/zinc/35/75/51/171357551.db2.gz	SCKUFKNEHMVDFQ-MRVPVSSYSA-N	-1	0	290.272	-0.567	50	0		CBAARM
C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000022149679	171357825	/nfs/dbraw/zinc/35/78/25/171357825.db2.gz	XCBFVCXWXPSUMC-FSPLSTOPSA-N	-1	0	265.312	-0.140	50	0		CBAARM
CC(C)N1C[C@H](CNC(=O)Nc2nnn[n-]2)CC1=O	ZINC000023380311	171420658	/nfs/dbraw/zinc/42/06/58/171420658.db2.gz	JIXMFCVBIATXRC-ZETCQYMHSA-N	-1	0	267.293	-0.422	50	0		CBAARM
CCOC(=O)C([N-]S(C)(=O)=O)C(=O)OCC	ZINC000035250689	172081378	/nfs/dbraw/zinc/08/13/78/172081378.db2.gz	HSSFRIVDLKBXLS-UHFFFAOYSA-N	-1	0	253.276	-0.970	50	0		CBAARM
CC(C)[C@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000037432685	173202696	/nfs/dbraw/zinc/20/26/96/173202696.db2.gz	NEQMSQXHHQMKPX-VIFPVBQESA-N	-1	0	260.315	-0.255	50	0		CBAARM
NC(=O)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000037503092	173239183	/nfs/dbraw/zinc/23/91/83/173239183.db2.gz	MLIKSAGPQXCDAV-UHFFFAOYSA-N	-1	0	286.309	-0.071	50	0		CBAARM
CS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O	ZINC000040543898	174323753	/nfs/dbraw/zinc/32/37/53/174323753.db2.gz	VKQDQRWAIHFEIX-UHFFFAOYSA-N	-1	0	295.320	-0.138	50	0		CBAARM
CC(=O)N(C)CC(=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000043510172	175060145	/nfs/dbraw/zinc/06/01/45/175060145.db2.gz	HGIFJWSPPQHJOV-SNVBAGLBSA-N	-1	0	260.315	-0.459	50	0		CBAARM
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCC(=O)[O-])c2=O	ZINC000071328601	176123965	/nfs/dbraw/zinc/12/39/65/176123965.db2.gz	WAPHJGQOPBGVJL-UHFFFAOYSA-N	-1	0	292.247	-0.049	50	0		CBAARM
C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-]	ZINC000071328989	176124046	/nfs/dbraw/zinc/12/40/46/176124046.db2.gz	JIRMCWVNTJIWOE-MRVPVSSYSA-N	-1	0	279.296	-0.289	50	0		CBAARM
NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000037791706	544418401	/nfs/dbraw/zinc/41/84/01/544418401.db2.gz	DXPYWQKRSIJHAV-VHSXEESVSA-N	-1	0	298.320	-0.329	50	0		CBAARM
Cn1cc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cn1	ZINC000262406565	544522640	/nfs/dbraw/zinc/52/26/40/544522640.db2.gz	ASKWEEXNSBHPPP-SNVBAGLBSA-N	-1	0	267.285	-0.335	50	0		CBAARM
CN1CC[C@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])S1(=O)=O	ZINC000647598523	419620646	/nfs/dbraw/zinc/62/06/46/419620646.db2.gz	QWQCASFYARECES-RKDXNWHRSA-N	-1	0	290.341	-0.514	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000378183965	230313349	/nfs/dbraw/zinc/31/33/49/230313349.db2.gz	QTSBWRPPRVEDOS-SFYZADRCSA-N	-1	0	280.284	-0.306	50	0		CBAARM
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1	ZINC000250604732	278144349	/nfs/dbraw/zinc/14/43/49/278144349.db2.gz	ABYGQSMFNBOJIC-OPRDCNLKSA-N	-1	0	254.286	-0.166	50	0		CBAARM
CC(C)CS(=O)(=O)CC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000262486001	278932457	/nfs/dbraw/zinc/93/24/57/278932457.db2.gz	FHLQOSCHCIGBIW-SECBINFHSA-N	-1	0	293.341	-0.631	50	0		CBAARM
CC(C)CS(=O)(=O)CC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000262486002	278932466	/nfs/dbraw/zinc/93/24/66/278932466.db2.gz	FHLQOSCHCIGBIW-VIFPVBQESA-N	-1	0	293.341	-0.631	50	0		CBAARM
CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000019978909	280310168	/nfs/dbraw/zinc/31/01/68/280310168.db2.gz	WQENNCCHBPDCIV-YUMQZZPRSA-N	-1	0	278.330	-0.418	50	0		CBAARM
CC1(C)NC(=O)N(CC(=O)N2CCC[C@H]2C(=O)[O-])C1=O	ZINC000037435065	281392352	/nfs/dbraw/zinc/39/23/52/281392352.db2.gz	RFZZYYLSFIGHBS-ZETCQYMHSA-N	-1	0	283.284	-0.608	50	0		CBAARM
C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)C[C@@H](C)O1	ZINC000062119957	297054135	/nfs/dbraw/zinc/05/41/35/297054135.db2.gz	HGGBKPVXRDQQKO-BBBLOLIVSA-N	-1	0	292.357	-0.253	50	0		CBAARM
CS(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])cn2)C1	ZINC000072343585	295523685	/nfs/dbraw/zinc/52/36/85/295523685.db2.gz	HBRYGFNRZVLIDG-QMMMGPOBSA-N	-1	0	259.287	-0.212	50	0		CBAARM
C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])S(C)(=O)=O	ZINC000135172578	298020338	/nfs/dbraw/zinc/02/03/38/298020338.db2.gz	OUSDAXIDOJRHRK-HTQZYQBOSA-N	-1	0	263.315	-0.115	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000269172017	298206380	/nfs/dbraw/zinc/20/63/80/298206380.db2.gz	HYLUALLKDOCNGP-UHLUBPPHSA-N	-1	0	297.311	-0.362	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000054052693	298209926	/nfs/dbraw/zinc/20/99/26/298209926.db2.gz	HVZZZMSFQUSTTE-BDAKNGLRSA-N	-1	0	292.357	-0.411	50	0		CBAARM
C[C@H]1COCCN1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037656698	300347712	/nfs/dbraw/zinc/34/77/12/300347712.db2.gz	KDNQVQWMYZUJST-VHSXEESVSA-N	-1	0	292.357	-0.109	50	0		CBAARM
O=C1Nc2ccccc2C1=C1C(=O)[N-]C(=O)NC1=O	ZINC000003023696	304689541	/nfs/dbraw/zinc/68/95/41/304689541.db2.gz	RSBVMQXAUOXZOH-UHFFFAOYSA-N	-1	0	257.205	-0.242	50	0		CBAARM
Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC(=O)[O-]	ZINC000011693087	300951467	/nfs/dbraw/zinc/95/14/67/300951467.db2.gz	FLRHWAKYFRWUCT-UHFFFAOYSA-N	-1	0	291.267	-0.623	50	0		CBAARM
Cn1c(SCC(=O)[O-])nc2c1n(C)c(=O)n(C)c2=O	ZINC000001593023	302898328	/nfs/dbraw/zinc/89/83/28/302898328.db2.gz	ZZFILLWIULOMBV-UHFFFAOYSA-N	-1	0	284.297	-0.853	50	0		CBAARM
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnnn1	ZINC000019511103	327871734	/nfs/dbraw/zinc/87/17/34/327871734.db2.gz	BPNXTZZWWNFXME-NSHDSACASA-N	-1	0	287.279	-0.289	50	0		CBAARM
O=C([O-])CN1CCN(CC[C@H]2CCOC2)CC1=O	ZINC000534651647	328337400	/nfs/dbraw/zinc/33/74/00/328337400.db2.gz	YSIDBAMSLIRRHE-JTQLQIEISA-N	-1	0	256.302	-0.358	50	0		CBAARM
Cc1cc(C)n(CC(=O)N2CCOC[C@H]2C(=O)[O-])n1	ZINC000088373690	330375773	/nfs/dbraw/zinc/37/57/73/330375773.db2.gz	NFCGYGFNNPVERP-JTQLQIEISA-N	-1	0	267.285	-0.188	50	0		CBAARM
Cc1cn(CC(=O)N[C@H](CC(=O)[O-])C(C)C)c(=O)[nH]c1=O	ZINC000222793562	534500545	/nfs/dbraw/zinc/50/05/45/534500545.db2.gz	UZUZRBUHNLGRNH-SECBINFHSA-N	-1	0	297.311	-0.539	50	0		CBAARM
CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000820290569	582562996	/nfs/dbraw/zinc/56/29/96/582562996.db2.gz	LGXXGCNIBYTFCR-LLVKDONJSA-N	-1	0	266.257	-0.338	50	0		CBAARM
CCCC[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-]	ZINC000864097444	583873889	/nfs/dbraw/zinc/87/38/89/583873889.db2.gz	STEDKAQZNZYELM-SSDOTTSWSA-N	-1	0	278.330	-0.433	50	0		CBAARM
CO[C@@H](CNC(=O)Cn1[n-]nnc1=N)c1cccs1	ZINC000952981816	617167254	/nfs/dbraw/zinc/16/72/54/617167254.db2.gz	PJDLPZDWEGEFRO-ZETCQYMHSA-N	-1	0	282.329	-0.349	50	0		CBAARM
CC(C)[C@H](NC(=O)c1cn[nH]n1)C(=O)N1CCOCC1	ZINC000175734561	656086934	/nfs/dbraw/zinc/08/69/34/656086934.db2.gz	SQJVPTFUXDSWDX-JTQLQIEISA-N	-1	0	281.316	-0.582	50	0		CBAARM
O=C([O-])c1nc(C(=O)N2CCOC[C@@H]2CO)cs1	ZINC000227276317	790433755	/nfs/dbraw/zinc/43/37/55/790433755.db2.gz	JUEJLVKWTOHOHF-LURJTMIESA-N	-1	0	272.282	-0.325	50	0		CBAARM
Cn1nccc1C(=O)N1CCSC[C@H]1c1nnn[n-]1	ZINC000584908716	790634971	/nfs/dbraw/zinc/63/49/71/790634971.db2.gz	FGEHJAGZERVOFR-QMMMGPOBSA-N	-1	0	279.329	-0.137	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000378175892	529839692	/nfs/dbraw/zinc/83/96/92/529839692.db2.gz	RZQFHGBCJAMLHR-ZETCQYMHSA-N	-1	0	266.257	-0.694	50	0		CBAARM
CCN(CC)c1nc(NCC(=O)[O-])[nH+]c(NCC(=O)[O-])n1	ZINC000000108824	351298446	/nfs/dbraw/zinc/29/84/46/351298446.db2.gz	IAQJLBBRUCDQMZ-UHFFFAOYSA-N	-1	0	298.303	-0.289	50	0		CBAARM
O=C([O-])C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000000395626	351300379	/nfs/dbraw/zinc/30/03/79/351300379.db2.gz	VNHJXYUDIBQDDX-UWVGGRQHSA-N	-1	0	262.265	-0.313	50	0	endogenous,in-man	CBAARM
Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000000262024	351300406	/nfs/dbraw/zinc/30/04/06/351300406.db2.gz	SBKRCXFSPMKXAU-SECBINFHSA-N	-1	0	259.283	-0.281	50	0	in-vitro	CBAARM
O=C([O-])C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000000395627	351300448	/nfs/dbraw/zinc/30/04/48/351300448.db2.gz	VNHJXYUDIBQDDX-ZJUUUORDSA-N	-1	0	262.265	-0.313	50	0	endogenous,in-man	CBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)Cc1ccccc1	ZINC000001593780	351305160	/nfs/dbraw/zinc/30/51/60/351305160.db2.gz	LVJSTJISODAEKL-UHFFFAOYSA-N	-1	0	286.309	-0.693	50	0		CBAARM
O=C([O-])CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000004593778	351321263	/nfs/dbraw/zinc/32/12/63/351321263.db2.gz	JENYBQGBHAJBST-UHFFFAOYSA-N	-1	0	269.257	-0.562	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000013425136	351336627	/nfs/dbraw/zinc/33/66/27/351336627.db2.gz	QNUBRHYSSHJWDH-CHWFTXMASA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)N[C@H]2NC(=O)N[C@@H]21	ZINC000013154151	351336688	/nfs/dbraw/zinc/33/66/88/351336688.db2.gz	KQWXKPHPXIJLNH-OPRDCNLKSA-N	-1	0	290.279	-0.328	50	0		CBAARM
C[C@@H](CN1CCOCC1)NC(=O)c1c(C(=O)[O-])cnn1C	ZINC000012357951	351332693	/nfs/dbraw/zinc/33/26/93/351332693.db2.gz	XLJFBEZNOGFWFO-VIFPVBQESA-N	-1	0	296.327	-0.431	50	0		CBAARM
Cn1cc(C(=O)[O-])c(C(=O)N2CCC(C(N)=O)CC2)n1	ZINC000012358001	351332828	/nfs/dbraw/zinc/33/28/28/351332828.db2.gz	UDRYELSTPZJWIA-UHFFFAOYSA-N	-1	0	280.284	-0.544	50	0		CBAARM
Cn1c2[nH]c(CSCC(=O)[O-])nc2c(=O)[nH]c1=O	ZINC000032221280	351379570	/nfs/dbraw/zinc/37/95/70/351379570.db2.gz	ZMBOBBNMMWPIEU-UHFFFAOYSA-N	-1	0	270.270	-0.732	50	0		CBAARM
COCCN1C[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1=O	ZINC000033442074	351383126	/nfs/dbraw/zinc/38/31/26/351383126.db2.gz	RWQSMRHEJGPGDN-ZJUUUORDSA-N	-1	0	284.312	-0.443	50	0		CBAARM
O=C([O-])c1ccnc(N2CCN(CCO)CC2)c1	ZINC000035151563	351388161	/nfs/dbraw/zinc/38/81/61/351388161.db2.gz	OXCJSXYBWQKETM-UHFFFAOYSA-N	-1	0	251.286	-0.106	50	0		CBAARM
COCC[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000036182547	351388706	/nfs/dbraw/zinc/38/87/06/351388706.db2.gz	JIUGJULXEFCZOK-UHFFFAOYSA-N	-1	0	280.331	-0.579	50	0		CBAARM
O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCCO	ZINC000017028272	351346682	/nfs/dbraw/zinc/34/66/82/351346682.db2.gz	GUYPZTIVSAVCAI-UHFFFAOYSA-N	-1	0	262.265	-0.115	50	0		CBAARM
NS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000037791716	351403479	/nfs/dbraw/zinc/40/34/79/351403479.db2.gz	GYWJHVZCWRLPBE-DTWKUNHWSA-N	-1	0	284.293	-0.007	50	0		CBAARM
CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000019979185	351353759	/nfs/dbraw/zinc/35/37/59/351353759.db2.gz	IZHUFLUCAGEYOI-VGMNWLOBSA-N	-1	0	292.357	-0.028	50	0		CBAARM
C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-]	ZINC000040544280	351416622	/nfs/dbraw/zinc/41/66/22/351416622.db2.gz	PJIPZRMUKZHCDJ-SECBINFHSA-N	-1	0	279.300	-0.219	50	0		CBAARM
O=C([O-])CCNC(=O)Cn1nc2c(cc1=O)CCCC2	ZINC000049550439	351494760	/nfs/dbraw/zinc/49/47/60/351494760.db2.gz	ZPPVHEJXHZEDJB-UHFFFAOYSA-N	-1	0	279.296	-0.287	50	0		CBAARM
O=C([O-])[C@H]1CCC(=O)N(CCN2CCOCC2)C1	ZINC000050919792	351504727	/nfs/dbraw/zinc/50/47/27/351504727.db2.gz	OERDBLRPTVSJJH-JTQLQIEISA-N	-1	0	256.302	-0.358	50	0		CBAARM
Cn1nnnc1SCCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000065534080	351592570	/nfs/dbraw/zinc/59/25/70/351592570.db2.gz	BISLFVCRJZZYKZ-LURJTMIESA-N	-1	0	271.302	-0.765	50	0		CBAARM
CS(=O)(=O)CCc1nc(C2CC2)nn1CC(=O)[O-]	ZINC000097468152	351778467	/nfs/dbraw/zinc/77/84/67/351778467.db2.gz	JBIISRQCNZWSCX-UHFFFAOYSA-N	-1	0	273.314	-0.173	50	0		CBAARM
O=C(NCc1nnn[n-]1)c1cnc(N2CCCC2)nc1	ZINC000097776112	351779786	/nfs/dbraw/zinc/77/97/86/351779786.db2.gz	LVVGDXVCCNPWPI-UHFFFAOYSA-N	-1	0	274.288	-0.480	50	0		CBAARM
CN(Cc1[nH]c(=O)[nH]c1C(=O)[O-])Cc1cnccn1	ZINC000097696134	351779794	/nfs/dbraw/zinc/77/97/94/351779794.db2.gz	HAECGGACMJNPCX-UHFFFAOYSA-N	-1	0	263.257	-0.177	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2	ZINC000100059424	351780078	/nfs/dbraw/zinc/78/00/78/351780078.db2.gz	IIIAVTLDDGZKOM-UWVGGRQHSA-N	-1	0	287.275	-0.015	50	0		CBAARM
CC(NC[C@H]1CCCO1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000101039315	351781257	/nfs/dbraw/zinc/78/12/57/351781257.db2.gz	CADBYXBGFREYKA-SSDOTTSWSA-N	-1	0	253.258	-0.605	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000101146813	351781915	/nfs/dbraw/zinc/78/19/15/351781915.db2.gz	QNUBRHYSSHJWDH-GWOFURMSSA-N	-1	0	269.253	-0.764	50	0		CBAARM
CC(C)N1CC[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1=O	ZINC000118973511	351829839	/nfs/dbraw/zinc/82/98/39/351829839.db2.gz	LSGLMNULCORVLK-MRVPVSSYSA-N	-1	0	254.286	-0.023	50	0		CBAARM
O=C([O-])C1(CNC(=O)Cn2cccn2)CCOCC1	ZINC000138130493	351923072	/nfs/dbraw/zinc/92/30/72/351923072.db2.gz	JXWPAYIKNUHIGI-UHFFFAOYSA-N	-1	0	267.285	-0.119	50	0		CBAARM
O=C([O-])C1(C(=O)N2CCN(c3cnccn3)CC2)CC1	ZINC000154786725	351948009	/nfs/dbraw/zinc/94/80/09/351948009.db2.gz	VTGXPNRVTNXYEZ-UHFFFAOYSA-N	-1	0	276.296	-0.010	50	0		CBAARM
CC[C@@H](C(=O)[O-])N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000191421115	352188228	/nfs/dbraw/zinc/18/82/28/352188228.db2.gz	DQNSXBJLQSDEBK-JTQLQIEISA-N	-1	0	266.301	-0.068	50	0		CBAARM
Nc1nc(=O)cc(N2CCN(C(=O)c3ccoc3)CC2)[nH]1	ZINC000223624308	352242589	/nfs/dbraw/zinc/24/25/89/352242589.db2.gz	FTSGNGXEBINPOE-UHFFFAOYSA-N	-1	0	289.295	-0.093	50	0		CBAARM
O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1cn[nH]n1	ZINC000225804855	352250160	/nfs/dbraw/zinc/25/01/60/352250160.db2.gz	PKGVCATZRGTCDQ-UHFFFAOYSA-N	-1	0	287.239	-0.527	50	0		CBAARM
CC[C@@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)[C@H]1C[C@H](O)C1	ZINC000240662385	352315594	/nfs/dbraw/zinc/31/55/94/352315594.db2.gz	PKOBBTKAPBOJLM-SZEHBUNVSA-N	-1	0	281.312	-0.729	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000262460410	352422268	/nfs/dbraw/zinc/42/22/68/352422268.db2.gz	XXGMKBSWVTUTGD-YIZRAAEISA-N	-1	0	277.342	-0.011	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCO1	ZINC000262895515	352435637	/nfs/dbraw/zinc/43/56/37/352435637.db2.gz	AWEALEIICPBFOQ-GHMZBOCLSA-N	-1	0	287.312	-0.116	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000263291644	352442617	/nfs/dbraw/zinc/44/26/17/352442617.db2.gz	LPYRBJDRLOJHTK-ZCFIWIBFSA-N	-1	0	271.273	-0.752	50	0		CBAARM
CC(=O)N[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC000262924893	352436415	/nfs/dbraw/zinc/43/64/15/352436415.db2.gz	FLRJTGSPVWAIQX-NEPJUHHUSA-N	-1	0	298.339	-0.007	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000262066545	352405040	/nfs/dbraw/zinc/40/50/40/352405040.db2.gz	BFNIEAUFKVRZQK-ZETCQYMHSA-N	-1	0	283.284	-0.608	50	0		CBAARM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O	ZINC000269174681	352462841	/nfs/dbraw/zinc/46/28/41/352462841.db2.gz	JDWJIAXWTVFZCZ-LBPRGKRZSA-N	-1	0	283.284	-0.702	50	0		CBAARM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000299747449	352728938	/nfs/dbraw/zinc/72/89/38/352728938.db2.gz	DAXPCFGWWGFHLH-AXFHLTTASA-N	-1	0	287.312	-0.118	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000328595435	352783874	/nfs/dbraw/zinc/78/38/74/352783874.db2.gz	VDGLLPWRVKPANJ-RKDXNWHRSA-N	-1	0	288.325	-0.780	50	0		CBAARM
O=C([O-])C1(NC(=O)c2c[nH]nc2-n2cnnn2)CCC1	ZINC000426399484	354242280	/nfs/dbraw/zinc/24/22/80/354242280.db2.gz	YYDWLYQYMSPRIB-UHFFFAOYSA-N	-1	0	277.244	-0.878	50	0		CBAARM
O=C([O-])C[C@H]1C(=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1	ZINC000100162194	304082463	/nfs/dbraw/zinc/08/24/63/304082463.db2.gz	YMYDKSMHYXRKDM-RXMQYKEDSA-N	-1	0	265.225	-0.618	50	0		CBAARM
O=C([O-])C[C@H]1CN(C(=O)C2(CO)CC2)C[C@H]1c1cn[nH]n1	ZINC000299786910	304084102	/nfs/dbraw/zinc/08/41/02/304084102.db2.gz	UOYMZKWIJAMEQM-DTWKUNHWSA-N	-1	0	294.311	-0.406	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21	ZINC000012390331	304098344	/nfs/dbraw/zinc/09/83/44/304098344.db2.gz	IJOVGHIIMNSTDU-ZCFIWIBFSA-N	-1	0	294.267	-0.883	50	0		CBAARM
NC(=O)c1cnc(NCc2n[nH]c(=O)[n-]2)c(Cl)c1	ZINC000301612027	201095448	/nfs/dbraw/zinc/09/54/48/201095448.db2.gz	FKECZAJWBYNCCV-UHFFFAOYSA-N	-1	0	268.664	-0.143	50	0		CBAARM
CC[C@H](C(=O)[O-])N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000191421129	189595118	/nfs/dbraw/zinc/59/51/18/189595118.db2.gz	DQNSXBJLQSDEBK-SNVBAGLBSA-N	-1	0	266.301	-0.068	50	0		CBAARM
CCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000220074363	189721908	/nfs/dbraw/zinc/72/19/08/189721908.db2.gz	WHUDRGUQAJOMIA-NXEZZACHSA-N	-1	0	295.357	-0.035	50	0		CBAARM
O=C([O-])[C@@H]1CN(c2ncccn2)CCN1Cc1c[nH]cn1	ZINC000071750280	304133384	/nfs/dbraw/zinc/13/33/84/304133384.db2.gz	WCRKMQPNPXDTJB-NSHDSACASA-N	-1	0	288.311	-0.025	50	0		CBAARM
CN1CC[C@H](C(=O)N(CC(=O)[O-])C2CC2)CC1=O	ZINC000178048887	372838855	/nfs/dbraw/zinc/83/88/55/372838855.db2.gz	LQTVCISJAFHEOX-QMMMGPOBSA-N	-1	0	254.286	-0.070	50	0		CBAARM
O=c1[nH]c2nonc2nc1C=C([O-])c1ccc(F)cc1	ZINC000334163413	206122911	/nfs/dbraw/zinc/12/29/11/206122911.db2.gz	REKMSALUGPHORE-VMPITWQZSA-N	-1	0	274.211	-0.536	50	0		CBAARM
CC(C)N1C(=O)C[C@H](NC(=O)C2(C(=O)[O-])CC2)C1=O	ZINC000262292523	190052113	/nfs/dbraw/zinc/05/21/13/190052113.db2.gz	HUWRPKJAUPLXIS-ZETCQYMHSA-N	-1	0	268.269	-0.497	50	0		CBAARM
CCn1nccc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000262472359	190056228	/nfs/dbraw/zinc/05/62/28/190056228.db2.gz	UPOXSVXKYCUPLN-SSDOTTSWSA-N	-1	0	261.303	-0.003	50	0		CBAARM
C[C@@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)[C@H]1CC[C@@H](O)CC1	ZINC000426595054	296256862	/nfs/dbraw/zinc/25/68/62/296256862.db2.gz	RDHMGESOQWLAIZ-MXWKQRLJSA-N	-1	0	298.339	-0.319	50	0		CBAARM
O=C([O-])C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)CCO1	ZINC000408513487	220551320	/nfs/dbraw/zinc/55/13/20/220551320.db2.gz	ZFJGNFPBGHVAOG-GHMZBOCLSA-N	-1	0	287.312	-0.116	50	0		CBAARM
O=C([O-])c1cccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000001423416	304264849	/nfs/dbraw/zinc/26/48/49/304264849.db2.gz	RWLAXRPGVCESFG-UWVGGRQHSA-N	-1	0	271.294	-0.045	50	0		CBAARM
O=C([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	ZINC000245240458	304271175	/nfs/dbraw/zinc/27/11/75/304271175.db2.gz	TZQXBPJFWCSNDR-UKKRHICBSA-N	-1	0	269.253	-0.764	50	0		CBAARM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000262381974	299611914	/nfs/dbraw/zinc/61/19/14/299611914.db2.gz	IORNWWZUNCEIQP-XAVMHZPKSA-N	-1	0	277.342	-0.013	50	0		CBAARM
CCN1C[C@H](C(=O)N(CCOC)CC(=O)[O-])CC1=O	ZINC000049606782	285446699	/nfs/dbraw/zinc/44/66/99/285446699.db2.gz	RLCALEAPBUVOPE-SECBINFHSA-N	-1	0	272.301	-0.586	50	0		CBAARM
COCCCN1CCN(C(=O)c2[nH]cnc2C(=O)[O-])CC1	ZINC000215597138	292353571	/nfs/dbraw/zinc/35/35/71/292353571.db2.gz	LGJMYLZMTSGCCV-UHFFFAOYSA-N	-1	0	296.327	-0.098	50	0		CBAARM
C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC000002130241	169775868	/nfs/dbraw/zinc/77/58/68/169775868.db2.gz	QNUPFWMTLMBACO-QMMMGPOBSA-N	-1	0	275.264	-0.014	50	0		CBAARM
O=C([O-])COCC(=O)Nc1cccc(-n2cnnn2)c1	ZINC000002755133	169825831	/nfs/dbraw/zinc/82/58/31/169825831.db2.gz	OKEXZRDYEVDPLQ-UHFFFAOYSA-N	-1	0	277.240	-0.298	50	0		CBAARM
NC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000004206903	169944281	/nfs/dbraw/zinc/94/42/81/169944281.db2.gz	VRSNERLTYVAEOX-UHFFFAOYSA-N	-1	0	258.255	-0.852	50	0		CBAARM
O=C([O-])c1ccc(NC(=O)C[C@@H]2NC(=O)NC2=O)cc1	ZINC000004717908	170004219	/nfs/dbraw/zinc/00/42/19/170004219.db2.gz	IXBMYXAWEMTDPC-QMMMGPOBSA-N	-1	0	277.236	-0.079	50	0		CBAARM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)N[C@@H]2NC(=O)N[C@@H]21	ZINC000005092875	170065853	/nfs/dbraw/zinc/06/58/53/170065853.db2.gz	ICMJHKHITZRDSC-BNHYGAARSA-N	-1	0	256.262	-0.524	50	0		CBAARM
Cc1cc(-c2nnc(SCC(=O)[O-])n2N)n[nH]1	ZINC000006908743	170254354	/nfs/dbraw/zinc/25/43/54/170254354.db2.gz	CLYIBCQPQLUQRR-UHFFFAOYSA-N	-1	0	254.275	-0.133	50	0		CBAARM
C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009046149	170362267	/nfs/dbraw/zinc/36/22/67/170362267.db2.gz	XUKABJAECWNTDT-SSDOTTSWSA-N	-1	0	291.263	-0.309	50	0		CBAARM
Cn1cc(C(=O)[O-])c(C(=O)NCCN2CCOCC2)n1	ZINC000012358002	170478869	/nfs/dbraw/zinc/47/88/69/170478869.db2.gz	RXNAQFCTRGPPDP-UHFFFAOYSA-N	-1	0	282.300	-0.820	50	0		CBAARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)N1CCCCCC1	ZINC000013638204	170571428	/nfs/dbraw/zinc/57/14/28/170571428.db2.gz	PDMWYBFVHDVHQT-UHFFFAOYSA-N	-1	0	284.341	-0.047	50	0		CBAARM
Cc1[n-]n(-c2nc(O)c(C)c(=O)[nH]2)c(=O)c1CCO	ZINC000019797259	170869788	/nfs/dbraw/zinc/86/97/88/170869788.db2.gz	GDHUYCXJCDSRLV-UHFFFAOYSA-N	-1	0	266.257	-0.894	50	0		CBAARM
NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)[O-]	ZINC000022144285	171355774	/nfs/dbraw/zinc/35/57/74/171355774.db2.gz	KPEGVJBOQKWKMJ-QMMMGPOBSA-N	-1	0	254.217	-0.116	50	0		CBAARM
NC(=O)c1c[nH]nc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000031809404	171648121	/nfs/dbraw/zinc/64/81/21/171648121.db2.gz	BPDZVCXEMWPLRP-UHFFFAOYSA-N	-1	0	276.212	-0.751	50	0		CBAARM
O=C([O-])c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)n1	ZINC000036756702	172681029	/nfs/dbraw/zinc/68/10/29/172681029.db2.gz	ZRVDSIVQKSNGIO-ZETCQYMHSA-N	-1	0	284.293	-0.303	50	0		CBAARM
CN(CC(=O)[O-])C(=O)c1cnc2sccn2c1=O	ZINC000037438464	173208496	/nfs/dbraw/zinc/20/84/96/173208496.db2.gz	HQOQOPVVFWXJKD-UHFFFAOYSA-N	-1	0	267.266	-0.087	50	0		CBAARM
Cn1c2ccccc2n(CC(=O)[N-]S(C)(=O)=O)c1=O	ZINC000040543973	174323888	/nfs/dbraw/zinc/32/38/88/174323888.db2.gz	OKMLOWJXGMFXSA-UHFFFAOYSA-N	-1	0	283.309	-0.584	50	0		CBAARM
CS(=O)(=O)[N-]C(=O)Cn1c(=O)cnc2ccccc21	ZINC000040544125	174324206	/nfs/dbraw/zinc/32/42/06/174324206.db2.gz	QIMYYKJAWFEHNA-UHFFFAOYSA-N	-1	0	281.293	-0.528	50	0		CBAARM
O=C([O-])[C@@]1(NC(=O)Cn2cccn2)CCSC1	ZINC000043508648	175059823	/nfs/dbraw/zinc/05/98/23/175059823.db2.gz	LCQWZTHCUINIQW-SNVBAGLBSA-N	-1	0	255.299	-0.040	50	0		CBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062118678	175663904	/nfs/dbraw/zinc/66/39/04/175663904.db2.gz	NKFSOCVGIRVSQI-IUCAKERBSA-N	-1	0	290.341	-0.657	50	0		CBAARM
C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C(=O)[O-]	ZINC000263047314	544522518	/nfs/dbraw/zinc/52/25/18/544522518.db2.gz	KAPWBLBUEWXUHB-XCBNKYQSSA-N	-1	0	295.299	-0.911	50	0		CBAARM
Cn1nnc2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])ccc21	ZINC000659169860	420401678	/nfs/dbraw/zinc/40/16/78/420401678.db2.gz	LLPOGPYENHZTLF-KCJUWKMLSA-N	-1	0	290.279	-0.060	50	0		CBAARM
CC(=O)NC1CCC(CC(=O)[O-])(n2cnnn2)CC1	ZINC000524728988	420393451	/nfs/dbraw/zinc/39/34/51/420393451.db2.gz	ULIYUCFMYULEIA-UHFFFAOYSA-N	-1	0	267.289	-0.078	50	0		CBAARM
CN(C(=O)[C@@H]1CCCS1(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000659232245	420405021	/nfs/dbraw/zinc/40/50/21/420405021.db2.gz	VYFVOJJMOBLKCR-YIZRAAEISA-N	-1	0	275.326	-0.115	50	0		CBAARM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)C(C)C)CCO1	ZINC000681944081	545052279	/nfs/dbraw/zinc/05/22/79/545052279.db2.gz	SIFALXLKVRHAOQ-NSHDSACASA-N	-1	0	286.328	-0.197	50	0		CBAARM
O=C([O-])CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O	ZINC000032789979	262378156	/nfs/dbraw/zinc/37/81/56/262378156.db2.gz	QPFQYMONYBAUCY-ZXFLCMHBSA-N	-1	0	276.314	-0.522	50	0		CBAARM
CC(C)(NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-]	ZINC000685939682	545082927	/nfs/dbraw/zinc/08/29/27/545082927.db2.gz	MLAXGPGICBOMEA-UHFFFAOYSA-N	-1	0	271.273	-0.704	50	0		CBAARM
CC(C)(C)OC(=O)N1CCN2[C@H](C1)C(=O)[N-]S2(=O)=O	ZINC000065337377	278400623	/nfs/dbraw/zinc/40/06/23/278400623.db2.gz	IQYUMMQGKQJXIB-SSDOTTSWSA-N	-1	0	291.329	-0.718	50	0		CBAARM
CC(C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000019978905	280308365	/nfs/dbraw/zinc/30/83/65/280308365.db2.gz	WQENNCCHBPDCIV-SFYZADRCSA-N	-1	0	278.330	-0.418	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000178931058	289486358	/nfs/dbraw/zinc/48/63/58/289486358.db2.gz	DIZJDWUFEQBMOM-RITPCOANSA-N	-1	0	282.218	-0.014	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000037931826	289581562	/nfs/dbraw/zinc/58/15/62/289581562.db2.gz	HPNCUUVAINQRTM-UHFFFAOYSA-N	-1	0	271.273	-0.750	50	0		CBAARM
CO[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000030867049	293371221	/nfs/dbraw/zinc/37/12/21/293371221.db2.gz	MCQKSAJFLCFPKA-JTQLQIEISA-N	-1	0	262.269	-0.216	50	0		CBAARM
Cc1cc(C)nc(NC(N)=C2C(=O)[N-]C(=O)NC2=O)n1	ZINC000100122368	301265360	/nfs/dbraw/zinc/26/53/60/301265360.db2.gz	LRSADWFYVYGTMW-UHFFFAOYSA-N	-1	0	276.256	-0.958	50	0		CBAARM
NC(=O)c1c([O-])n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000013957353	303338804	/nfs/dbraw/zinc/33/88/04/303338804.db2.gz	WODMYRXQOKLOCG-UHFFFAOYSA-N	-1	0	261.237	-0.611	50	0		CBAARM
Cc1nc[nH]c1CN1CCN(CC(=O)[O-])C(=O)[C@H]1C	ZINC000534590653	328317751	/nfs/dbraw/zinc/31/77/51/328317751.db2.gz	LZWARSRDJHVJPS-SECBINFHSA-N	-1	0	266.301	-0.165	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCCOC1CCCC1	ZINC000534664745	328344887	/nfs/dbraw/zinc/34/48/87/328344887.db2.gz	CYAZWWLOWQELDE-UHFFFAOYSA-N	-1	0	268.321	-0.449	50	0		CBAARM
C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)c1cncc(O)c1	ZINC000534671185	328347731	/nfs/dbraw/zinc/34/77/31/328347731.db2.gz	PZRHPPUNCMFIPH-QMMMGPOBSA-N	-1	0	293.279	-0.455	50	0		CBAARM
O=C([O-])[C@@H](CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000013549071	326840399	/nfs/dbraw/zinc/84/03/99/326840399.db2.gz	KLGOYNFYMGQGOG-SNVBAGLBSA-N	-1	0	291.263	-0.560	50	0		CBAARM
CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)[O-]	ZINC000819967380	582546245	/nfs/dbraw/zinc/54/62/45/582546245.db2.gz	UMFPPVCSUHKAAT-BQBZGAKWSA-N	-1	0	271.273	-0.800	50	0		CBAARM
COc1ccc(CCCNC(=O)Cn2[n-]nnc2=N)cc1	ZINC000952970635	617245452	/nfs/dbraw/zinc/24/54/52/617245452.db2.gz	UTCSVLRUKRRVNR-UHFFFAOYSA-N	-1	0	290.327	-0.157	50	0		CBAARM
CCN(Cc1cnn(C(C)C)c1)C(=O)Cn1[n-]nnc1=N	ZINC000952976149	615068943	/nfs/dbraw/zinc/06/89/43/615068943.db2.gz	RBODLJYRWMRACU-UHFFFAOYSA-N	-1	0	292.347	-0.088	50	0		CBAARM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)N[C@H]2NC(=O)N[C@H]21	ZINC000015746214	655996243	/nfs/dbraw/zinc/99/62/43/655996243.db2.gz	ICMJHKHITZRDSC-WNJXEPBRSA-N	-1	0	256.262	-0.524	50	0		CBAARM
CN1CCO[C@H](CNc2nccnc2C(=O)[O-])C1	ZINC000091680465	656058815	/nfs/dbraw/zinc/05/88/15/656058815.db2.gz	JUKYKVNNHLAUQF-MRVPVSSYSA-N	-1	0	252.274	-0.083	50	0		CBAARM
C[C@H](C(=O)NCCc1n[n-]c(=N)s1)N1CCN(C)CC1	ZINC000426541377	656169290	/nfs/dbraw/zinc/16/92/90/656169290.db2.gz	NCHIGPMHBMOESJ-SECBINFHSA-N	-1	0	298.416	-0.755	50	0		CBAARM
Cc1nc(CNC(=O)Cn2[n-]nnc2=N)sc1C	ZINC000952982354	658360953	/nfs/dbraw/zinc/36/09/53/658360953.db2.gz	XLXQVXPROWAJRN-UHFFFAOYSA-N	-1	0	267.318	-0.525	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N1CCN[C@H](c2ccccc2)C1	ZINC000952989485	658361299	/nfs/dbraw/zinc/36/12/99/658361299.db2.gz	SFNGOUQNEWHFEH-NSHDSACASA-N	-1	0	287.327	-0.741	50	0		CBAARM
Cc1ncsc1CCNC(=O)Cn1[n-]nnc1=N	ZINC000952962469	658361362	/nfs/dbraw/zinc/36/13/62/658361362.db2.gz	FNYILOBZQNCDJW-UHFFFAOYSA-N	-1	0	267.318	-0.791	50	0		CBAARM
Cc1cccn2cc(CNC(=O)Cn3[n-]nnc3=N)nc12	ZINC000827864076	790870609	/nfs/dbraw/zinc/87/06/09/790870609.db2.gz	UGDHGVVTQCBSPQ-UHFFFAOYSA-N	-1	0	286.299	-0.642	50	0		CBAARM
C[C@@H](CO)NS(=O)(=O)c1n[nH]c2ncccc21	ZINC000952884157	790934921	/nfs/dbraw/zinc/93/49/21/790934921.db2.gz	ULOHDQSXYIFWBU-LURJTMIESA-N	-1	0	256.287	-0.383	50	0		CBAARM
CCCn1cnnc1CNC(=O)N[C@H](C)C(=O)[O-]	ZINC001506414092	921577040	/nfs/dbraw/zinc/57/70/40/921577040.db2.gz	CBEMARVNVNNXBQ-SSDOTTSWSA-N	-1	0	255.278	-0.040	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N(Cc1ccc(O)cc1)C1CC1	ZINC001506417050	921576782	/nfs/dbraw/zinc/57/67/82/921576782.db2.gz	KILOKQLFLZREER-UHFFFAOYSA-N	-1	0	288.311	-0.018	50	0		CBAARM
CN(CCN1CCOCC1)c1cnc(C(=O)[O-])cn1	ZINC001529174162	922878282	/nfs/dbraw/zinc/87/82/82/922878282.db2.gz	QBARCOXBMZODRY-UHFFFAOYSA-N	-1	0	266.301	-0.057	50	0		CBAARM
Cn1nccc1/C=C\C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000214503041	282726938	/nfs/dbraw/zinc/72/69/38/282726938.db2.gz	NAJZCKKHMLTGJP-MXQLGCADSA-N	-1	0	265.269	-0.255	50	0		CBAARM
O=C([O-])CCS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000000141700	351299023	/nfs/dbraw/zinc/29/90/23/351299023.db2.gz	OZVDBHVMLBWBKC-UHFFFAOYSA-N	-1	0	298.276	-0.535	50	0		CBAARM
O=C([O-])C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O	ZINC000000395629	351299937	/nfs/dbraw/zinc/29/99/37/351299937.db2.gz	VNHJXYUDIBQDDX-NXEZZACHSA-N	-1	0	262.265	-0.313	50	0	endogenous,in-man	CBAARM
Cc1ccc(S(=O)(=O)[N-]N2CC(=O)NC2=O)cc1	ZINC000000390717	351300293	/nfs/dbraw/zinc/30/02/93/351300293.db2.gz	QHGBGTRZGGFLES-UHFFFAOYSA-N	-1	0	269.282	-0.260	50	0		CBAARM
O=C([O-])C1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000000259545	351300372	/nfs/dbraw/zinc/30/03/72/351300372.db2.gz	LGXOWZOKHYBFFZ-UHFFFAOYSA-N	-1	0	278.330	-0.640	50	0		CBAARM
Nc1nonc1C(=O)[N-]N1C(=O)c2ccccc2C1=O	ZINC000000243184	351300421	/nfs/dbraw/zinc/30/04/21/351300421.db2.gz	RDLOKRXHKHFDMF-UHFFFAOYSA-N	-1	0	273.208	-0.407	50	0		CBAARM
C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000000537319	351301128	/nfs/dbraw/zinc/30/11/28/351301128.db2.gz	UKPILVIYNURLHS-LURJTMIESA-N	-1	0	287.297	-0.071	50	0		CBAARM
O=c1[nH]c([O-])c([C@@H](O)c2ccccc2O)c(=O)[nH]1	ZINC000000519710	351301542	/nfs/dbraw/zinc/30/15/42/351301542.db2.gz	WPBASTUWPXAMBN-QMMMGPOBSA-N	-1	0	250.210	-0.444	50	0		CBAARM
O=C([O-])[C@H](CO)NC(=O)CNC(=O)OCc1ccccc1	ZINC000002507918	351308725	/nfs/dbraw/zinc/30/87/25/351308725.db2.gz	QJBVPDSNNNZVKZ-JTQLQIEISA-N	-1	0	296.279	-0.526	50	0		CBAARM
CC(=O)NC(=S)N[N-]S(=O)(=O)c1ccccc1	ZINC000002690712	351310610	/nfs/dbraw/zinc/31/06/10/351310610.db2.gz	VZVGGWLLAVDRBX-UHFFFAOYSA-N	-1	0	273.339	-0.110	50	0		CBAARM
Cn1c2ncn(CCCC(=O)[O-])c2c(=O)n(C)c1=O	ZINC000003394292	351312473	/nfs/dbraw/zinc/31/24/73/351312473.db2.gz	KCQMWMWEALWVLJ-UHFFFAOYSA-N	-1	0	266.257	-0.702	50	0		CBAARM
CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1	ZINC000003340128	351313087	/nfs/dbraw/zinc/31/30/87/351313087.db2.gz	FMVKPAMZUGITEG-UHFFFAOYSA-N	-1	0	286.309	-0.249	50	0		CBAARM
O=C([O-])C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1	ZINC000026467453	351366756	/nfs/dbraw/zinc/36/67/56/351366756.db2.gz	XPOFEAZYPJKPDS-JTQLQIEISA-N	-1	0	298.320	-0.350	50	0		CBAARM
COC(=O)c1c[nH]nc1NC(=O)c1nccnc1C(=O)[O-]	ZINC000031808405	351378569	/nfs/dbraw/zinc/37/85/69/351378569.db2.gz	BGBFSVLVPSPDEH-UHFFFAOYSA-N	-1	0	291.223	-0.063	50	0		CBAARM
Cc1c(CC(=O)[O-])c2c(n1C)n(C)c(=O)n(C)c2=O	ZINC000032918669	351381677	/nfs/dbraw/zinc/38/16/77/351381677.db2.gz	NHUMXKINMWOHPT-UHFFFAOYSA-N	-1	0	265.269	-0.489	50	0		CBAARM
Cc1cc(C)n(CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])n1	ZINC000036868997	351393631	/nfs/dbraw/zinc/39/36/31/351393631.db2.gz	ASBZKJUQUUBYMI-ZJUUUORDSA-N	-1	0	267.285	-0.454	50	0		CBAARM
CN(CCCC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000036980409	351395340	/nfs/dbraw/zinc/39/53/40/351395340.db2.gz	GRODTTYIFKCLCL-SECBINFHSA-N	-1	0	292.357	-0.266	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000018173377	351347550	/nfs/dbraw/zinc/34/75/50/351347550.db2.gz	JKACUXCTUOMLPE-RKDXNWHRSA-N	-1	0	291.238	-0.184	50	0		CBAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccn1	ZINC000018202748	351348072	/nfs/dbraw/zinc/34/80/72/351348072.db2.gz	AUGBKGJWSRPUGP-UHFFFAOYSA-N	-1	0	282.281	-0.433	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2	ZINC000017857875	351348146	/nfs/dbraw/zinc/34/81/46/351348146.db2.gz	IIIAVTLDDGZKOM-NXEZZACHSA-N	-1	0	287.275	-0.015	50	0		CBAARM
CN(C)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000019203388	351349393	/nfs/dbraw/zinc/34/93/93/351349393.db2.gz	VOWFRWODCIQOMT-JTQLQIEISA-N	-1	0	288.325	-0.216	50	0		CBAARM
CC(=O)C1=C(C)Nn2c(nnc(CCC(=O)[O-])c2=O)S1	ZINC000019689550	351350697	/nfs/dbraw/zinc/35/06/97/351350697.db2.gz	QTAOPGAPIVEWSU-SECBINFHSA-N	-1	0	296.308	-0.057	50	0		CBAARM
Cc1nc2ncc3c(ccn(CC(=O)[O-])c3=O)n2n1	ZINC000020427142	351353175	/nfs/dbraw/zinc/35/31/75/351353175.db2.gz	XPYZHXFUWFZFST-UHFFFAOYSA-N	-1	0	259.225	-0.168	50	0		CBAARM
CCCCn1c2[nH]c(CC(=O)[O-])c(O)c2c(=O)n(C)c1=O	ZINC000025287197	351362933	/nfs/dbraw/zinc/36/29/33/351362933.db2.gz	RFAADQVAQAMCKM-SSDOTTSWSA-N	-1	0	295.295	-0.201	50	0		CBAARM
NC(=O)c1cc2c(nc1N1CCO[C@@H](C(=O)[O-])C1)CCC2	ZINC000043703166	351442739	/nfs/dbraw/zinc/44/27/39/351442739.db2.gz	YBKDSKSZXSKOAP-LLVKDONJSA-N	-1	0	291.307	-0.041	50	0		CBAARM
CS(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21	ZINC000040544122	351416826	/nfs/dbraw/zinc/41/68/26/351416826.db2.gz	MQBPFDZJJYYCIV-UHFFFAOYSA-N	-1	0	284.293	-0.512	50	0		CBAARM
O=C([O-])CNC(=O)Cn1nc2c(cc1=O)CCCCC2	ZINC000049549992	351494528	/nfs/dbraw/zinc/49/45/28/351494528.db2.gz	FNKDNSXVYPAYAE-UHFFFAOYSA-N	-1	0	279.296	-0.287	50	0		CBAARM
COCCN1C[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O	ZINC000062118794	351574601	/nfs/dbraw/zinc/57/46/01/351574601.db2.gz	GJUFVMMJZOPNOC-ZJUUUORDSA-N	-1	0	284.312	-0.586	50	0		CBAARM
NC(=O)Cn1nnc(C(=O)[O-])c1-c1ccc2c(c1)OCO2	ZINC000062216545	351575952	/nfs/dbraw/zinc/57/59/52/351575952.db2.gz	LUHLBWCEVSGBDN-UHFFFAOYSA-N	-1	0	290.235	-0.143	50	0		CBAARM
Cn1cc(C(=O)[O-])c(S(=O)(=O)N2CCOCC2)n1	ZINC000065240422	351587944	/nfs/dbraw/zinc/58/79/44/351587944.db2.gz	WNGZSABAICLOSS-UHFFFAOYSA-N	-1	0	275.286	-0.861	50	0		CBAARM
CCN(C[C@H]1CCOC1)C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000065393181	351589254	/nfs/dbraw/zinc/58/92/54/351589254.db2.gz	OUGAPPYZBJWVGU-SNVBAGLBSA-N	-1	0	281.312	-0.578	50	0		CBAARM
O=c1[nH]nc(Cc2nnn[n-]2)n1Cc1ccccc1F	ZINC000065494526	351591157	/nfs/dbraw/zinc/59/11/57/351591157.db2.gz	QMOSYRXGTDQOPV-UHFFFAOYSA-N	-1	0	275.247	-0.137	50	0		CBAARM
CCCNC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000066059267	351595392	/nfs/dbraw/zinc/59/53/92/351595392.db2.gz	SLYPIAHIDXSDRZ-UHFFFAOYSA-N	-1	0	297.336	-0.138	50	0		CBAARM
C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-]	ZINC000080197949	351696373	/nfs/dbraw/zinc/69/63/73/351696373.db2.gz	KHACJPBCVMCFSV-JTQLQIEISA-N	-1	0	256.258	-0.313	50	0		CBAARM
CC(C)O[C@H](C)C(=O)N1CCc2c([n-]n(CCO)c2=O)C1	ZINC000097711840	351779307	/nfs/dbraw/zinc/77/93/07/351779307.db2.gz	QGQOAGVOLGQXKP-SNVBAGLBSA-N	-1	0	297.355	-0.133	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2	ZINC000100059426	351780118	/nfs/dbraw/zinc/78/01/18/351780118.db2.gz	IIIAVTLDDGZKOM-VHSXEESVSA-N	-1	0	287.275	-0.015	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100050495	351780215	/nfs/dbraw/zinc/78/02/15/351780215.db2.gz	ITXFNELSVHJYDM-IUCAKERBSA-N	-1	0	273.248	-0.323	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2	ZINC000100059420	351780362	/nfs/dbraw/zinc/78/03/62/351780362.db2.gz	IIIAVTLDDGZKOM-ZJUUUORDSA-N	-1	0	287.275	-0.015	50	0		CBAARM
COCCN1Cc2c(nc3cc(C)[n-]n3c2=O)C1=O	ZINC000104028482	351788290	/nfs/dbraw/zinc/78/82/90/351788290.db2.gz	DBFXSKPILDRESY-UHFFFAOYSA-N	-1	0	262.269	-0.067	50	0		CBAARM
CN(C)c1nc(NCc2n[nH]c(=O)[n-]2)ncc1F	ZINC000095355899	351769904	/nfs/dbraw/zinc/76/99/04/351769904.db2.gz	GIFSTDTZEVETKS-UHFFFAOYSA-N	-1	0	253.241	-0.295	50	0		CBAARM
CC(C)(CNC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000147569284	351928198	/nfs/dbraw/zinc/92/81/98/351928198.db2.gz	ODZIGAIKRMLSRC-UHFFFAOYSA-N	-1	0	260.315	-0.254	50	0		CBAARM
Cn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000169684010	351996879	/nfs/dbraw/zinc/99/68/79/351996879.db2.gz	VERREKXUARXHSG-UHFFFAOYSA-N	-1	0	284.297	-0.853	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)C1(CO)CC1	ZINC000218249270	352234905	/nfs/dbraw/zinc/23/49/05/352234905.db2.gz	BTRFMMZLLCHJFM-RKDXNWHRSA-N	-1	0	273.285	-0.866	50	0		CBAARM
CCC[C@@H](CC(=O)[O-])NC(=O)Cc1c[nH]c(=O)n(C)c1=O	ZINC000219352999	352236990	/nfs/dbraw/zinc/23/69/90/352236990.db2.gz	SJPZUCFSSCIVLZ-VIFPVBQESA-N	-1	0	297.311	-0.624	50	0		CBAARM
Nc1nnnn1CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1	ZINC000215749406	352230536	/nfs/dbraw/zinc/23/05/36/352230536.db2.gz	HJHCEUCBSTVRGQ-VIFPVBQESA-N	-1	0	290.283	-0.413	50	0		CBAARM
O=C(CN1CC(=O)NC1=O)NCc1ccc2nonc2c1	ZINC000216058659	352231427	/nfs/dbraw/zinc/23/14/27/352231427.db2.gz	PLBGSIDXVHQQJW-UHFFFAOYSA-N	-1	0	289.251	-0.609	50	0		CBAARM
O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc(CO)ccn3)C[C@@H]21	ZINC000217060649	352232101	/nfs/dbraw/zinc/23/21/01/352232101.db2.gz	YTKSQTLGBSAYAC-JZYVYDRUSA-N	-1	0	262.265	-0.024	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)COCC(F)(F)F	ZINC000224780201	352246323	/nfs/dbraw/zinc/24/63/23/352246323.db2.gz	MWNTYKLVBSBGPE-ZCFIWIBFSA-N	-1	0	271.191	-0.123	50	0		CBAARM
CC(C)CS(=O)(=O)CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262978980	352436810	/nfs/dbraw/zinc/43/68/10/352436810.db2.gz	MSEWTKPGJDGVDW-SECBINFHSA-N	-1	0	293.341	-0.631	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000263291643	352442673	/nfs/dbraw/zinc/44/26/73/352442673.db2.gz	LPYRBJDRLOJHTK-LURJTMIESA-N	-1	0	271.273	-0.752	50	0		CBAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1	ZINC000134073659	187724197	/nfs/dbraw/zinc/72/41/97/187724197.db2.gz	UFMPJSUWIKGOBG-WDEREUQCSA-N	-1	0	276.292	-0.065	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)CCN1CCCS1(=O)=O	ZINC000263324051	352443231	/nfs/dbraw/zinc/44/32/31/352443231.db2.gz	SDSSRUWHEQRSNC-MRVPVSSYSA-N	-1	0	278.330	-0.657	50	0		CBAARM
C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000299747127	352728940	/nfs/dbraw/zinc/72/89/40/352728940.db2.gz	CALRWBYAWQYYOJ-BWZBUEFSSA-N	-1	0	263.315	-0.401	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)CCOC[C@H]1CCCO1	ZINC000299752485	352729093	/nfs/dbraw/zinc/72/90/93/352729093.db2.gz	UHCPMTDLBXDLCL-GHMZBOCLSA-N	-1	0	287.312	-0.116	50	0		CBAARM
C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@H](C)O1	ZINC000218278905	137669317	/nfs/dbraw/zinc/66/93/17/137669317.db2.gz	HGGBKPVXRDQQKO-KXUCPTDWSA-N	-1	0	292.357	-0.253	50	0		CBAARM
Cc1cc(C(=O)NCCCc2nn[n-]n2)c(=O)n(C)c1C	ZINC000426465294	354241907	/nfs/dbraw/zinc/24/19/07/354241907.db2.gz	UESSLAHIDQDFGR-UHFFFAOYSA-N	-1	0	290.327	-0.122	50	0		CBAARM
O=C(NCCCc1nnn[n-]1)c1n[nH]c2c1CCC2	ZINC000426361253	354242252	/nfs/dbraw/zinc/24/22/52/354242252.db2.gz	UXIRNVPOFKALER-UHFFFAOYSA-N	-1	0	261.289	-0.226	50	0		CBAARM
COC(=O)CNC(=O)CSc1nnc(C)c(=O)[n-]1	ZINC000008692368	291089584	/nfs/dbraw/zinc/08/95/84/291089584.db2.gz	RYHIYAXCQGNQSR-UHFFFAOYSA-N	-1	0	272.286	-0.733	50	0		CBAARM
CN1CCC[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O	ZINC000626776128	356548418	/nfs/dbraw/zinc/54/84/18/356548418.db2.gz	HYXDVSLPVVDWKQ-IUCAKERBSA-N	-1	0	285.300	-0.898	50	0		CBAARM
C[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)CC(=O)[O-]	ZINC000211743330	295963942	/nfs/dbraw/zinc/96/39/42/295963942.db2.gz	HASGBEJYVSZAJV-BDAKNGLRSA-N	-1	0	292.357	-0.363	50	0		CBAARM
O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1cccnc1	ZINC000072133762	304085664	/nfs/dbraw/zinc/08/56/64/304085664.db2.gz	HGLOFOXBSMHZSB-VIFPVBQESA-N	-1	0	286.309	-0.054	50	0		CBAARM
O=C([O-])Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O	ZINC000004218797	304090547	/nfs/dbraw/zinc/09/05/47/304090547.db2.gz	XPFDWZAZTFWOQS-SSDOTTSWSA-N	-1	0	258.205	-0.457	50	0		CBAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000238855650	304099483	/nfs/dbraw/zinc/09/94/83/304099483.db2.gz	SISPNTRQQLNRHH-LPEHRKFASA-N	-1	0	287.337	-0.043	50	0		CBAARM
CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299744090	200853496	/nfs/dbraw/zinc/85/34/96/200853496.db2.gz	QUFFWXRTNVKWOP-VIFPVBQESA-N	-1	0	277.342	-0.010	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)COC[C@@H]1CCCO1	ZINC000299751729	200858641	/nfs/dbraw/zinc/85/86/41/200858641.db2.gz	RLMPMRQXMOROMN-VHSXEESVSA-N	-1	0	273.285	-0.506	50	0		CBAARM
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2	ZINC000262225271	304125227	/nfs/dbraw/zinc/12/52/27/304125227.db2.gz	UVUYIGQUHIRZOQ-XFWSIPNHSA-N	-1	0	266.297	-0.023	50	0		CBAARM
O=C([O-])[C@@H]1C[C@H]1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000262578945	304145845	/nfs/dbraw/zinc/14/58/45/304145845.db2.gz	FDQHVDXPAUWITF-OPRDCNLKSA-N	-1	0	287.337	-0.115	50	0		CBAARM
C[C@H](CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699278	372760155	/nfs/dbraw/zinc/76/01/55/372760155.db2.gz	VUZQHBRMLBKLLK-BDAKNGLRSA-N	-1	0	292.357	-0.411	50	0		CBAARM
CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000263261216	372912890	/nfs/dbraw/zinc/91/28/90/372912890.db2.gz	GLRQSZIGJLGRAN-MRVPVSSYSA-N	-1	0	263.315	-0.113	50	0		CBAARM
O=C([O-])[C@@]1(NC(=O)[C@@H]2COCCO2)CCSC1	ZINC000043509146	220192346	/nfs/dbraw/zinc/19/23/46/220192346.db2.gz	QBUJWIQWNQKOHO-OIBJUYFYSA-N	-1	0	261.299	-0.522	50	0		CBAARM
CCN(C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000530143443	374061344	/nfs/dbraw/zinc/06/13/44/374061344.db2.gz	SNCHEGHUJUMSBS-OCAPTIKFSA-N	-1	0	250.320	-0.022	50	0		CBAARM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000262381975	220251635	/nfs/dbraw/zinc/25/16/35/220251635.db2.gz	IORNWWZUNCEIQP-XGEHTFHBSA-N	-1	0	277.342	-0.013	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1	ZINC000583650627	374363843	/nfs/dbraw/zinc/36/38/43/374363843.db2.gz	UDUKYOGVGIANDN-LLVKDONJSA-N	-1	0	290.279	-0.257	50	0		CBAARM
Cc1c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cnn1C	ZINC000261560007	190040673	/nfs/dbraw/zinc/04/06/73/190040673.db2.gz	FAEMSEUTGBHJAR-MRVPVSSYSA-N	-1	0	273.314	-0.034	50	0		CBAARM
O=C([O-])[C@H]1CC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2	ZINC000262225264	304196049	/nfs/dbraw/zinc/19/60/49/304196049.db2.gz	UVUYIGQUHIRZOQ-RGOKHQFPSA-N	-1	0	266.297	-0.023	50	0		CBAARM
O=C([O-])c1[nH]c(=O)[nH]c(=O)c1I	ZINC000001642475	304215966	/nfs/dbraw/zinc/21/59/66/304215966.db2.gz	NWVVOUXUHGRCGE-UHFFFAOYSA-N	-1	0	281.993	-0.634	50	0	in-vitro	CBAARM
C[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1C(=O)[O-]	ZINC000235368215	296374030	/nfs/dbraw/zinc/37/40/30/296374030.db2.gz	NACOMEOPVHWKSH-WEDXCCLWSA-N	-1	0	254.286	-0.023	50	0		CBAARM
O=C([O-])c1cccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000004623824	304264406	/nfs/dbraw/zinc/26/44/06/304264406.db2.gz	RWLAXRPGVCESFG-NXEZZACHSA-N	-1	0	271.294	-0.045	50	0		CBAARM
CC[C@H](C)[C@H](NC(=O)CCn1cnnn1)C(=O)[O-]	ZINC000426724034	220583829	/nfs/dbraw/zinc/58/38/29/220583829.db2.gz	SZOQKGCZKXCZCP-CBAPKCEASA-N	-1	0	255.278	-0.321	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000054052262	256853701	/nfs/dbraw/zinc/85/37/01/256853701.db2.gz	PGYXAPOHIYIYIX-YUMQZZPRSA-N	-1	0	278.330	-0.658	50	0		CBAARM
O=C([O-])c1coc(N2CCN[C@@H](C(=O)N3CCCC3)C2)n1	ZINC000072173835	304281983	/nfs/dbraw/zinc/28/19/83/304281983.db2.gz	UAFLHYXWWGUSBD-SECBINFHSA-N	-1	0	294.311	-0.227	50	0		CBAARM
COCC1(C(=O)[O-])CCN(S(C)(=O)=O)CC1	ZINC000366475902	292222383	/nfs/dbraw/zinc/22/23/83/292222383.db2.gz	NOPFWFWLVDDKCE-UHFFFAOYSA-N	-1	0	251.304	-0.241	50	0		CBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(F)cc1	ZINC000004207014	169944301	/nfs/dbraw/zinc/94/43/01/169944301.db2.gz	VJGJPVSEACHTNG-UHFFFAOYSA-N	-1	0	290.272	-0.695	50	0		CBAARM
O=C([O-])C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	ZINC000006423753	170200175	/nfs/dbraw/zinc/20/01/75/170200175.db2.gz	GTRGMUITOGQNFD-UHFFFAOYSA-N	-1	0	259.287	-0.105	50	0		CBAARM
CNC(=O)c1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])cs1	ZINC000006681527	170225945	/nfs/dbraw/zinc/22/59/45/170225945.db2.gz	GJOZUBZEVZRPTJ-RXMQYKEDSA-N	-1	0	292.338	-0.141	50	0		CBAARM
O=c1nc2[nH]c(NCc3cccnc3)nnc-2c(=O)[n-]1	ZINC000006909180	170254473	/nfs/dbraw/zinc/25/44/73/170254473.db2.gz	DHIZBPCQVFBLBM-UHFFFAOYSA-N	-1	0	271.240	-0.179	50	0		CBAARM
O=C(CC1(O)C(=O)[N-]C(=O)NC1=O)c1ccccc1	ZINC000009420059	170376501	/nfs/dbraw/zinc/37/65/01/170376501.db2.gz	NWWZGWZTAZLVRQ-UHFFFAOYSA-N	-1	0	262.221	-0.644	50	0		CBAARM
O=C([O-])[C@H](CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000009577104	170381693	/nfs/dbraw/zinc/38/16/93/170381693.db2.gz	KLGOYNFYMGQGOG-JTQLQIEISA-N	-1	0	291.263	-0.973	50	0		CBAARM
Cn1cc(C(=O)[O-])c(C(=O)NCCn2cccn2)n1	ZINC000012358009	170479035	/nfs/dbraw/zinc/47/90/35/170479035.db2.gz	DSQOEDUBXDUXNH-UHFFFAOYSA-N	-1	0	263.257	-0.255	50	0		CBAARM
Cc1nn(CC(=O)[O-])c(C)c1S(=O)(=O)N(C)C	ZINC000021950006	171339182	/nfs/dbraw/zinc/33/91/82/171339182.db2.gz	BEXBBTVJDXWDMM-UHFFFAOYSA-N	-1	0	261.303	-0.165	50	0		CBAARM
CN1C(=O)c2ccc(S(=O)(=O)NCC(=O)[O-])cc2C1=O	ZINC000035685702	172353713	/nfs/dbraw/zinc/35/37/13/172353713.db2.gz	QAPYTARDPUPSTI-UHFFFAOYSA-N	-1	0	298.276	-0.725	50	0		CBAARM
O=C([O-])CCn1ccc2c(cnc3ncnn32)c1=O	ZINC000036358562	172625405	/nfs/dbraw/zinc/62/54/05/172625405.db2.gz	KKGGQYNPDPDOGX-UHFFFAOYSA-N	-1	0	259.225	-0.086	50	0		CBAARM
C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC000037415007	173191550	/nfs/dbraw/zinc/19/15/50/173191550.db2.gz	MGZPCTYVXOSJPA-ZCFIWIBFSA-N	-1	0	272.282	-0.463	50	0		CBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCC(=O)[O-])C1	ZINC000037434290	173204864	/nfs/dbraw/zinc/20/48/64/173204864.db2.gz	UGIXCKYZXMORCA-SECBINFHSA-N	-1	0	292.357	-0.361	50	0		CBAARM
COCCn1nc(C(=O)N(C)CC(=O)[O-])ccc1=O	ZINC000037438357	173208912	/nfs/dbraw/zinc/20/89/12/173208912.db2.gz	FEKWGEAHODYTTH-UHFFFAOYSA-N	-1	0	269.257	-0.954	50	0		CBAARM
O=C([O-])c1ccc(S(=O)(=O)NCCO)s1	ZINC000038058674	174068578	/nfs/dbraw/zinc/06/85/78/174068578.db2.gz	XVZVTJFGRDNADF-UHFFFAOYSA-N	-1	0	251.285	-0.283	50	0		CBAARM
O=S(=O)(CCO)c1nnc(Br)[n-]1	ZINC000072324053	176369890	/nfs/dbraw/zinc/36/98/90/176369890.db2.gz	CCBFHRPCFILNJZ-UHFFFAOYSA-N	-1	0	256.081	-0.667	50	0		CBAARM
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](CC(=O)[O-])C(C)C	ZINC000222711179	544491759	/nfs/dbraw/zinc/49/17/59/544491759.db2.gz	XDNFDWNCXPQSOK-SECBINFHSA-N	-1	0	297.311	-0.470	50	0		CBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)c2nccnc2N)C1	ZINC000262061654	544517834	/nfs/dbraw/zinc/51/78/34/544517834.db2.gz	BHILVXZAKBWFST-NSHDSACASA-N	-1	0	250.258	-0.004	50	0		CBAARM
COCCn1nc(C(=O)[N-]C2=NCCS2)ccc1=O	ZINC000048389439	419443586	/nfs/dbraw/zinc/44/35/86/419443586.db2.gz	NFVGDROCPRGAPA-UHFFFAOYSA-N	-1	0	282.325	-0.278	50	0		CBAARM
C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000670448106	544793248	/nfs/dbraw/zinc/79/32/48/544793248.db2.gz	QTPBJQGWFUGFGS-YIZRAAEISA-N	-1	0	283.332	-0.376	50	0		CBAARM
CC(=O)N1CCN(c2ncccn2)[C@@H](C(=O)[O-])C1	ZINC000072343579	278044480	/nfs/dbraw/zinc/04/44/80/278044480.db2.gz	VWFPQCVLIOPCAC-SECBINFHSA-N	-1	0	250.258	-0.402	50	0		CBAARM
C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@@H](C)O1	ZINC000218278851	297053322	/nfs/dbraw/zinc/05/33/22/297053322.db2.gz	HGGBKPVXRDQQKO-OPRDCNLKSA-N	-1	0	292.357	-0.253	50	0		CBAARM
C[C@@H]1COCCN1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000241171010	297127525	/nfs/dbraw/zinc/12/75/25/297127525.db2.gz	KDNQVQWMYZUJST-ZJUUUORDSA-N	-1	0	292.357	-0.109	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000054052691	298208614	/nfs/dbraw/zinc/20/86/14/298208614.db2.gz	HVZZZMSFQUSTTE-RKDXNWHRSA-N	-1	0	292.357	-0.411	50	0		CBAARM
Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)[O-])c1C	ZINC000036979342	302733020	/nfs/dbraw/zinc/73/30/20/302733020.db2.gz	FVHAALDTGXCVCG-MRVPVSSYSA-N	-1	0	297.336	-0.003	50	0		CBAARM
O=C([O-])C1(NC(=O)CCCn2cnnn2)CCCC1	ZINC000534636971	328334122	/nfs/dbraw/zinc/33/41/22/328334122.db2.gz	ILRIIQJIWBZQDR-UHFFFAOYSA-N	-1	0	267.289	-0.033	50	0		CBAARM
CSC[C@H](NC(=O)CCn1cnnc1)C(=O)[O-]	ZINC000534665512	328345155	/nfs/dbraw/zinc/34/51/55/328345155.db2.gz	LEAOMLVYKURJRN-ZETCQYMHSA-N	-1	0	258.303	-0.399	50	0		CBAARM
CC(C)OCC(=O)N1CCN(CC(=O)[O-])C(=O)[C@H]1C	ZINC000534675004	328346044	/nfs/dbraw/zinc/34/60/44/328346044.db2.gz	CEPGZKMELZWXDD-SECBINFHSA-N	-1	0	272.301	-0.445	50	0		CBAARM
CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000820290570	582562982	/nfs/dbraw/zinc/56/29/82/582562982.db2.gz	LGXXGCNIBYTFCR-NSHDSACASA-N	-1	0	266.257	-0.338	50	0		CBAARM
CN1CCO[C@@H]2CN(C(=O)c3ccc(C(=O)[O-])nc3)C[C@@H]21	ZINC000830965527	582947286	/nfs/dbraw/zinc/94/72/86/582947286.db2.gz	RPKPTFXHPBZBRD-NWDGAFQWSA-N	-1	0	291.307	-0.065	50	0		CBAARM
CCC[C@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-]	ZINC000864097529	583873847	/nfs/dbraw/zinc/87/38/47/583873847.db2.gz	VKJABXPMECSSGQ-LURJTMIESA-N	-1	0	264.303	-0.823	50	0		CBAARM
CCCC[C@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-]	ZINC000864097446	583873926	/nfs/dbraw/zinc/87/39/26/583873926.db2.gz	STEDKAQZNZYELM-ZETCQYMHSA-N	-1	0	278.330	-0.433	50	0		CBAARM
O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(c2cccnn2)CC1	ZINC000268913680	600080683	/nfs/dbraw/zinc/08/06/83/600080683.db2.gz	OKWNPCOTOMBPHQ-UWVGGRQHSA-N	-1	0	276.296	-0.154	50	0		CBAARM
O=C([O-])[C@H](Cc1ccccc1)N1CC(=O)NC(=O)C1	ZINC000016675878	655996276	/nfs/dbraw/zinc/99/62/76/655996276.db2.gz	ISOITVOMWIJLHA-JTQLQIEISA-N	-1	0	262.265	-0.359	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCN1CCc2ccccc21	ZINC000952963869	658360747	/nfs/dbraw/zinc/36/07/47/658360747.db2.gz	AFZJOMIDSODHIQ-UHFFFAOYSA-N	-1	0	287.327	-0.735	50	0		CBAARM
O=C([O-])c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	ZINC000044224988	790327140	/nfs/dbraw/zinc/32/71/40/790327140.db2.gz	QILAVXOAGLUGOU-UHFFFAOYSA-N	-1	0	251.154	-0.177	50	0		CBAARM
C[C@H](Nc1nccc(-c2ncnn2C)n1)c1nnn[n-]1	ZINC000138276808	790393884	/nfs/dbraw/zinc/39/38/84/790393884.db2.gz	JOVSPAOWNWCOCN-LURJTMIESA-N	-1	0	272.276	-0.042	50	0		CBAARM
CC(C)N1CCNC(=O)[C@@H]1CC(=O)NC1(C(=O)[O-])CCC1	ZINC000828000388	790872490	/nfs/dbraw/zinc/87/24/90/790872490.db2.gz	KIDJAUGJKYAVAM-JTQLQIEISA-N	-1	0	297.355	-0.291	50	0		CBAARM
CC1=C(C(=O)N2CCO[C@@H](C(=O)[O-])C2)OCCO1	ZINC001506420395	921579026	/nfs/dbraw/zinc/57/90/26/921579026.db2.gz	CMDJUVBNHNDTEW-MRVPVSSYSA-N	-1	0	257.242	-0.423	50	0		CBAARM
COC(=O)[C@H](CO)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000095993470	185059429	/nfs/dbraw/zinc/05/94/29/185059429.db2.gz	OMHLGDPDTOSVFG-VIFPVBQESA-N	-1	0	291.263	-0.813	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2	ZINC000096930570	185132172	/nfs/dbraw/zinc/13/21/72/185132172.db2.gz	UZXHCDQZRFNILM-RKDXNWHRSA-N	-1	0	291.238	-0.184	50	0		CBAARM
CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000002631671	530028231	/nfs/dbraw/zinc/02/82/31/530028231.db2.gz	MMRGZEQCLZAQTR-UHFFFAOYSA-N	-1	0	272.282	-0.591	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000269172024	295798675	/nfs/dbraw/zinc/79/86/75/295798675.db2.gz	HYLUALLKDOCNGP-WPPNPWJKSA-N	-1	0	297.311	-0.362	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000054052692	295799685	/nfs/dbraw/zinc/79/96/85/295799685.db2.gz	HVZZZMSFQUSTTE-IUCAKERBSA-N	-1	0	292.357	-0.411	50	0		CBAARM
O=C([O-])/C=C/C(=O)NN1C(=O)c2ccccc2C1=O	ZINC000000116534	351299427	/nfs/dbraw/zinc/29/94/27/351299427.db2.gz	WRVJSYIFBDBZJF-AATRIKPKSA-N	-1	0	260.205	-0.045	50	0		CBAARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000001204694	351302535	/nfs/dbraw/zinc/30/25/35/351302535.db2.gz	WOQRPBXJCRJRBC-XQFKGYICSA-N	-1	0	283.280	-0.376	50	0		CBAARM
CCC(NCCN1CCOCC1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000001273860	351303006	/nfs/dbraw/zinc/30/30/06/351303006.db2.gz	NLUXTNXIAPOVFG-UHFFFAOYSA-N	-1	0	296.327	-0.017	50	0		CBAARM
CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000013077215	351334846	/nfs/dbraw/zinc/33/48/46/351334846.db2.gz	PXKFDPWSHMHLEY-UHFFFAOYSA-N	-1	0	286.309	-0.249	50	0		CBAARM
O=C([O-])CNC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000001655960	351305061	/nfs/dbraw/zinc/30/50/61/351305061.db2.gz	GGZCEFKSVHSZHT-UHFFFAOYSA-N	-1	0	262.221	-0.517	50	0		CBAARM
Cc1ccc(S(=O)(=O)[N-]NS(C)(=O)=O)cc1	ZINC000001625015	351305097	/nfs/dbraw/zinc/30/50/97/351305097.db2.gz	AOTFGEXNUYQSKI-UHFFFAOYSA-N	-1	0	264.328	-0.262	50	0		CBAARM
COc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000002053373	351307044	/nfs/dbraw/zinc/30/70/44/351307044.db2.gz	HIWBDIBOVCRUPH-UHFFFAOYSA-N	-1	0	266.253	-0.374	50	0		CBAARM
CNC(=O)N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000012907625	351335159	/nfs/dbraw/zinc/33/51/59/351335159.db2.gz	LUWZUCRZMCENTQ-UHFFFAOYSA-N	-1	0	277.240	-0.977	50	0		CBAARM
O=C([O-])c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1	ZINC000012997574	351335169	/nfs/dbraw/zinc/33/51/69/351335169.db2.gz	BVGLYPTVNBRDFI-UHFFFAOYSA-N	-1	0	284.293	-0.495	50	0		CBAARM
O=C([O-])CCCNC(=O)Cn1nnc2ccccc2c1=O	ZINC000002444907	351309484	/nfs/dbraw/zinc/30/94/84/351309484.db2.gz	XWCKUPXUBCDHTK-UHFFFAOYSA-N	-1	0	290.279	-0.228	50	0		CBAARM
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[O-])c1	ZINC000004200450	351316544	/nfs/dbraw/zinc/31/65/44/351316544.db2.gz	PAGBNETUTYKLIL-UHFFFAOYSA-N	-1	0	288.325	-0.037	50	0		CBAARM
N=C1NC(=O)C(CC(=O)NCCCC(=O)[O-])S1	ZINC000004223093	351317925	/nfs/dbraw/zinc/31/79/25/351317925.db2.gz	VXVZGYQIUFVNAZ-YFKPBYRVSA-N	-1	0	259.287	-0.476	50	0		CBAARM
NC(=O)C1CCN(C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])CC1	ZINC000004298349	351317968	/nfs/dbraw/zinc/31/79/68/351317968.db2.gz	CVEQOORAHGZDBO-RCWTZXSCSA-N	-1	0	294.307	-0.636	50	0		CBAARM
CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000004294785	351317971	/nfs/dbraw/zinc/31/79/71/351317971.db2.gz	HLRQJAXOZIIORA-ISCDUZKHSA-N	-1	0	281.264	-0.584	50	0		CBAARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)N[C@H]2NC(=O)N[C@H]21	ZINC000004399238	351318476	/nfs/dbraw/zinc/31/84/76/351318476.db2.gz	KQWXKPHPXIJLNH-AEJSXWLSSA-N	-1	0	290.279	-0.328	50	0		CBAARM
NS(=O)(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000004464082	351318922	/nfs/dbraw/zinc/31/89/22/351318922.db2.gz	XPUWNQCCZQOGTI-WAYWQWQTSA-N	-1	0	270.266	-0.087	50	0		CBAARM
CCn1c(=O)c(C(=O)[O-])nc2cnc(N(C)C)nc21	ZINC000006176634	351323970	/nfs/dbraw/zinc/32/39/70/351323970.db2.gz	HTGSPYQXUDVCLA-UHFFFAOYSA-N	-1	0	263.257	-0.029	50	0		CBAARM
CCOC(=O)Cc1nc2c(nc(NC)[nH]c2=O)[n-]c1=O	ZINC000005728083	351324560	/nfs/dbraw/zinc/32/45/60/351324560.db2.gz	DWJRSOPGGZBYJW-UHFFFAOYSA-N	-1	0	279.256	-0.846	50	0		CBAARM
C[C@H](Sc1nc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000008716901	351328693	/nfs/dbraw/zinc/32/86/93/351328693.db2.gz	VSIDCPHTQCMSRV-YFKPBYRVSA-N	-1	0	298.324	-0.464	50	0		CBAARM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)N[C@H]2NC(=O)N[C@H]21	ZINC000013154150	351336610	/nfs/dbraw/zinc/33/66/10/351336610.db2.gz	KQWXKPHPXIJLNH-BBBLOLIVSA-N	-1	0	290.279	-0.328	50	0		CBAARM
C[C@@H](Nc1n[nH]c(=O)[n-]c1=O)C(=O)NCc1ccco1	ZINC000027026264	351368554	/nfs/dbraw/zinc/36/85/54/351368554.db2.gz	FFCGYTMQSPPTCW-ZCFIWIBFSA-N	-1	0	279.256	-0.832	50	0		CBAARM
CCN1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000031811625	351377815	/nfs/dbraw/zinc/37/78/15/351377815.db2.gz	NFAOAMJSYJICGK-UHFFFAOYSA-N	-1	0	264.285	-0.048	50	0		CBAARM
COCCN1C[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1=O	ZINC000033439349	351383780	/nfs/dbraw/zinc/38/37/80/351383780.db2.gz	CRGZHWJNDAPAEH-JGVFFNPUSA-N	-1	0	258.274	-0.929	50	0		CBAARM
COCCCn1c(C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O	ZINC000036294438	351389937	/nfs/dbraw/zinc/38/99/37/351389937.db2.gz	OUBHLDWBXNFBGV-UHFFFAOYSA-N	-1	0	295.295	-0.227	50	0		CBAARM
O=C([O-])CN(C(=O)Cn1nc2ccccn2c1=O)C1CC1	ZINC000037589287	351399294	/nfs/dbraw/zinc/39/92/94/351399294.db2.gz	NYEIOJWJGJGQJZ-UHFFFAOYSA-N	-1	0	290.279	-0.428	50	0		CBAARM
CCOC(=O)c1cnc(-n2[n-]c(C)cc2=O)[nH]c1=O	ZINC000013597083	351337699	/nfs/dbraw/zinc/33/76/99/351337699.db2.gz	UAAWALRVKREGDG-UHFFFAOYSA-N	-1	0	264.241	-0.266	50	0		CBAARM
O=C([O-])Cn1nnc(-n2cc(Br)cn2)n1	ZINC000065336727	351589326	/nfs/dbraw/zinc/58/93/26/351589326.db2.gz	QKWDZVUNWOGWOH-UHFFFAOYSA-N	-1	0	273.050	-0.294	50	0		CBAARM
C[C@@H](c1n[nH]c(=O)n1CCC(=O)[O-])n1cccn1	ZINC000065527689	351591136	/nfs/dbraw/zinc/59/11/36/351591136.db2.gz	YDODWPNIVFYNFW-ZETCQYMHSA-N	-1	0	251.246	-0.148	50	0		CBAARM
C[C@H]1CN(C(=O)Cn2[n-]c(=O)ccc2=O)CCO1	ZINC000089941135	351735497	/nfs/dbraw/zinc/73/54/97/351735497.db2.gz	XEVHNOJUHIHTKM-QMMMGPOBSA-N	-1	0	253.258	-0.804	50	0		CBAARM
C[C@@H](Cn1cccn1)NC(=O)Cn1[n-]c(=O)ccc1=O	ZINC000089904335	351735581	/nfs/dbraw/zinc/73/55/81/351735581.db2.gz	VWMYQCIWHMHCJB-VIFPVBQESA-N	-1	0	277.284	-0.650	50	0		CBAARM
CC[C@H](C(=O)[O-])N1C(=O)N[C@H]2[C@@H]1N(C)C(=O)N2C	ZINC000103521516	351787730	/nfs/dbraw/zinc/78/77/30/351787730.db2.gz	WCZAJXBDDXKDGX-FSDSQADBSA-N	-1	0	256.262	-0.476	50	0		CBAARM
O=C([O-])c1ccc(CN2CCN(CCO)CC2)nc1	ZINC000094762239	351765822	/nfs/dbraw/zinc/76/58/22/351765822.db2.gz	LEEGZRPJUHQNHD-UHFFFAOYSA-N	-1	0	265.313	-0.110	50	0		CBAARM
Cn1c2scc(CC(=O)[O-])c2c(=O)n(C)c1=O	ZINC000143295684	351926600	/nfs/dbraw/zinc/92/66/00/351926600.db2.gz	PYRJMOYBFKNPAS-UHFFFAOYSA-N	-1	0	254.267	-0.074	50	0		CBAARM
CC(=O)N[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1	ZINC000154806274	351948322	/nfs/dbraw/zinc/94/83/22/351948322.db2.gz	AWMZXCPIBHHYGD-VIFPVBQESA-N	-1	0	254.286	-0.022	50	0		CBAARM
CN(CC(=O)[O-])S(=O)(=O)[N-]CC(F)(F)F	ZINC000160273480	351968694	/nfs/dbraw/zinc/96/86/94/351968694.db2.gz	ZVDAADIBDWCWSA-UHFFFAOYSA-N	-1	0	250.198	-0.601	50	0		CBAARM
C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000170621246	351998670	/nfs/dbraw/zinc/99/86/70/351998670.db2.gz	DEZWHJIGYIMZMW-YUMQZZPRSA-N	-1	0	251.304	-0.354	50	0		CBAARM
Cc1nn(C)cc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000218981148	352235959	/nfs/dbraw/zinc/23/59/59/352235959.db2.gz	MURWOJJUYFHMBE-GHMZBOCLSA-N	-1	0	297.311	-0.283	50	0		CBAARM
O=C(COCc1ccccc1)NCc1nc(=O)[nH][nH]1	ZINC000216351113	352231189	/nfs/dbraw/zinc/23/11/89/352231189.db2.gz	AQPRACYAQYNUNU-UHFFFAOYSA-N	-1	0	262.269	-0.069	50	0		CBAARM
C[N@@H+]1C[C@@H](NC(=O)c2ccncc2[O-])C[C@H]1C(=O)[O-]	ZINC000217213187	352232818	/nfs/dbraw/zinc/23/28/18/352232818.db2.gz	COAZLMIOOSXSQW-CBAPKCEASA-N	-1	0	265.269	-0.326	50	0		CBAARM
C[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1	ZINC000217750203	352233965	/nfs/dbraw/zinc/23/39/65/352233965.db2.gz	CYRCWVBNTZQSTI-CYBMUJFWSA-N	-1	0	295.295	-0.681	50	0		CBAARM
O=C(NCCn1nnc2ccccc2c1=O)c1cn[nH]n1	ZINC000225798385	352250122	/nfs/dbraw/zinc/25/01/22/352250122.db2.gz	AMDOQSKNCILFIK-UHFFFAOYSA-N	-1	0	285.267	-0.660	50	0		CBAARM
O=C([O-])[C@@H]1CCCN1C(=O)Cn1ccccc1=O	ZINC000238070610	352313685	/nfs/dbraw/zinc/31/36/85/352313685.db2.gz	FTJGAZNHKKDYMY-VIFPVBQESA-N	-1	0	250.254	-0.076	50	0		CBAARM
CN1N=C(C(=O)Nc2ccn(CC(=O)[O-])n2)CCC1=O	ZINC000262535899	352425059	/nfs/dbraw/zinc/42/50/59/352425059.db2.gz	QGULNCCHDMDPKY-UHFFFAOYSA-N	-1	0	279.256	-0.486	50	0		CBAARM
CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1	ZINC000262588286	352427257	/nfs/dbraw/zinc/42/72/57/352427257.db2.gz	HBPDKRVQBKADPY-RKDXNWHRSA-N	-1	0	290.341	-0.799	50	0		CBAARM
O=C([O-])[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1	ZINC000299740963	352727639	/nfs/dbraw/zinc/72/76/39/352727639.db2.gz	CLNWFJYERGKGNJ-SECBINFHSA-N	-1	0	250.254	-0.219	50	0		CBAARM
O=C([O-])[C@H]1CCN(C(=O)Cn2ccccc2=O)C1	ZINC000299740964	352727896	/nfs/dbraw/zinc/72/78/96/352727896.db2.gz	CLNWFJYERGKGNJ-VIFPVBQESA-N	-1	0	250.254	-0.219	50	0		CBAARM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000299747450	352728583	/nfs/dbraw/zinc/72/85/83/352728583.db2.gz	DAXPCFGWWGFHLH-DCAQKATOSA-N	-1	0	287.312	-0.118	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000299751501	352728896	/nfs/dbraw/zinc/72/88/96/352728896.db2.gz	QTAFVEPQHNXLKI-XLPZGREQSA-N	-1	0	263.315	-0.354	50	0		CBAARM
CC(C)N(CC(=O)[O-])C(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000299752938	352728986	/nfs/dbraw/zinc/72/89/86/352728986.db2.gz	WBJRBXLMPOPQGQ-UHFFFAOYSA-N	-1	0	285.300	-0.362	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)CCOC[C@H]1CCCO1	ZINC000299752486	352729024	/nfs/dbraw/zinc/72/90/24/352729024.db2.gz	UHCPMTDLBXDLCL-MNOVXSKESA-N	-1	0	287.312	-0.116	50	0		CBAARM
COc1ccnc(N2CCC(C(=O)NCC(=O)[O-])CC2)n1	ZINC000299749107	352729058	/nfs/dbraw/zinc/72/90/58/352729058.db2.gz	JGIBAWZBVNDVLG-UHFFFAOYSA-N	-1	0	294.311	-0.098	50	0		CBAARM
CC(C)CN1C[C@@H](C(=O)NCCc2nnn[n-]2)CCC1=O	ZINC000299801878	352730927	/nfs/dbraw/zinc/73/09/27/352730927.db2.gz	ZWLRAKJVYUCFFI-JTQLQIEISA-N	-1	0	294.359	-0.247	50	0		CBAARM
CC(=O)N1CCCC[C@H]1C(=O)NCc1nnn[n-]1	ZINC000299802201	352731419	/nfs/dbraw/zinc/73/14/19/352731419.db2.gz	ZAFVVXPNCOILPG-QMMMGPOBSA-N	-1	0	252.278	-0.783	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)COC[C@@H]2CCCO2)CCO1	ZINC000328595642	352784577	/nfs/dbraw/zinc/78/45/77/352784577.db2.gz	ZTXOZLXMCUQRSB-VHSXEESVSA-N	-1	0	273.285	-0.506	50	0		CBAARM
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncccn1	ZINC000331178713	352888408	/nfs/dbraw/zinc/88/84/08/352888408.db2.gz	MAKKOZVVADUOBX-SSDOTTSWSA-N	-1	0	258.303	-0.305	50	0		CBAARM
O=C([O-])C1=C(CO)O[C@@]2(O)c3ccccc3C(=O)[C@]12O	ZINC000004026729	304035384	/nfs/dbraw/zinc/03/53/84/304035384.db2.gz	LCIVSOVUGDIACQ-OLZOCXBDSA-N	-1	0	278.216	-0.880	50	0		CBAARM
CNS(=O)(=O)c1ccc(C(=O)N2CCCCN2)cn1	ZINC000408522336	353926672	/nfs/dbraw/zinc/92/66/72/353926672.db2.gz	HTPNLQZJQDMKJI-UHFFFAOYSA-N	-1	0	284.341	-0.270	50	0		CBAARM
O=C(NCCCc1nnn[n-]1)N1CCSCC1	ZINC000426478626	354242026	/nfs/dbraw/zinc/24/20/26/354242026.db2.gz	ACSHWVHJGROYMN-UHFFFAOYSA-N	-1	0	256.335	-0.109	50	0		CBAARM
CN1C(=O)C[C@@H](C(=O)NCCCc2nnn[n-]2)C1(C)C	ZINC000426525896	354242808	/nfs/dbraw/zinc/24/28/08/354242808.db2.gz	JLIXDYDPCKDQDH-QMMMGPOBSA-N	-1	0	280.332	-0.495	50	0		CBAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2cn[nH]n2)C1	ZINC000426527759	354242995	/nfs/dbraw/zinc/24/29/95/354242995.db2.gz	KDYHZVTXCSWWDV-JGVFFNPUSA-N	-1	0	252.274	-0.036	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCO1	ZINC000521366006	354570261	/nfs/dbraw/zinc/57/02/61/354570261.db2.gz	OQDLBFTVMVWUDC-SNVBAGLBSA-N	-1	0	280.284	-0.533	50	0		CBAARM
Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1[n-]nnc1=N	ZINC000584902759	355045707	/nfs/dbraw/zinc/04/57/07/355045707.db2.gz	JXTWPPGXRYJFOB-ZCFIWIBFSA-N	-1	0	278.320	-0.687	50	0		CBAARM
CC1(C)C[C@@H](O)CCN(C(=O)Cn2[n-]nnc2=N)C1	ZINC000584885505	355041827	/nfs/dbraw/zinc/04/18/27/355041827.db2.gz	YVZJFTLCIUYNLC-QMMMGPOBSA-N	-1	0	268.321	-0.905	50	0		CBAARM
O=C([O-])CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O	ZINC000407985045	304048220	/nfs/dbraw/zinc/04/82/20/304048220.db2.gz	QPFQYMONYBAUCY-LKEWCRSYSA-N	-1	0	276.314	-0.522	50	0		CBAARM
O=C([O-])CCN1CCN(C(=O)N2CCOCC2)CC1	ZINC000040429459	304053036	/nfs/dbraw/zinc/05/30/36/304053036.db2.gz	VKNYNIXTCPVSRT-UHFFFAOYSA-N	-1	0	271.317	-0.469	50	0		CBAARM
Cn1nncc1S(=O)(=O)[N-]c1ccc2c(n1)OCCO2	ZINC000629351901	356768450	/nfs/dbraw/zinc/76/84/50/356768450.db2.gz	JMWCURHAZPCDTD-UHFFFAOYSA-N	-1	0	297.296	-0.218	50	0		CBAARM
O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1	ZINC000026467457	304074721	/nfs/dbraw/zinc/07/47/21/304074721.db2.gz	XPOFEAZYPJKPDS-SNVBAGLBSA-N	-1	0	298.320	-0.350	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)Nc2nc(N3CCCC3)[nH]c(=O)c21	ZINC000012322284	304098221	/nfs/dbraw/zinc/09/82/21/304098221.db2.gz	SVDAHFZLPTYUMA-ZCFIWIBFSA-N	-1	0	278.268	-0.120	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000299751499	200857644	/nfs/dbraw/zinc/85/76/44/200857644.db2.gz	QTAFVEPQHNXLKI-FXQIFTODSA-N	-1	0	263.315	-0.354	50	0		CBAARM
C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N1CCCO[C@H]13)[C@@H]2C(=O)[O-]	ZINC000012661766	372755754	/nfs/dbraw/zinc/75/57/54/372755754.db2.gz	JYQCSJSOEZQAJI-FYTYDNSOSA-N	-1	0	265.265	-0.011	50	0		CBAARM
CCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000038016308	372760882	/nfs/dbraw/zinc/76/08/82/372760882.db2.gz	KLBLHLCSKQCEDB-SECBINFHSA-N	-1	0	292.357	-0.266	50	0		CBAARM
O=C([O-])[C@H]1CCN(C(=O)CN2CCCCC2=O)C1	ZINC000178267678	372838655	/nfs/dbraw/zinc/83/86/55/372838655.db2.gz	NISZVBYMVJCHDQ-VIFPVBQESA-N	-1	0	254.286	-0.068	50	0		CBAARM
Cc1c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cnn1C	ZINC000261560008	190040569	/nfs/dbraw/zinc/04/05/69/190040569.db2.gz	FAEMSEUTGBHJAR-QMMMGPOBSA-N	-1	0	273.314	-0.034	50	0		CBAARM
COc1cncc(S(=O)(=O)N(C)CC(=O)[O-])c1	ZINC000261875276	190045568	/nfs/dbraw/zinc/04/55/68/190045568.db2.gz	PUMOGDOTDMXEHT-UHFFFAOYSA-N	-1	0	260.271	-0.205	50	0		CBAARM
CNC(=O)C1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000261903485	190045992	/nfs/dbraw/zinc/04/59/92/190045992.db2.gz	WYNDAYNAUGFRIT-MRVPVSSYSA-N	-1	0	254.286	-0.164	50	0		CBAARM
O=C([O-])[C@H]1CS(=O)(=O)CN1C(=O)c1ccccc1	ZINC000011920069	304201329	/nfs/dbraw/zinc/20/13/29/304201329.db2.gz	UNMXUCJNXICONF-SECBINFHSA-N	-1	0	269.278	-0.032	50	0		CBAARM
CCN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1cnn(C)c1	ZINC000070274694	285172022	/nfs/dbraw/zinc/17/20/22/285172022.db2.gz	QDAWNIJSBXAFAR-ZJUUUORDSA-N	-1	0	253.258	-0.207	50	0		CBAARM
COCC1(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@@H]2C)CCC1	ZINC000426715812	220583778	/nfs/dbraw/zinc/58/37/78/220583778.db2.gz	COHCESSAXAQCSL-JTQLQIEISA-N	-1	0	298.339	-0.053	50	0		CBAARM
COCC[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)C(=O)[O-]	ZINC000052785008	256853688	/nfs/dbraw/zinc/85/36/88/256853688.db2.gz	QGGUJNPPVJNDAE-NXEZZACHSA-N	-1	0	286.328	-0.151	50	0		CBAARM
Cc1nonc1CC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-]	ZINC000096152070	256884016	/nfs/dbraw/zinc/88/40/16/256884016.db2.gz	AOUKVZLZJOZVPE-JTQLQIEISA-N	-1	0	291.267	-0.318	50	0		CBAARM
CCOC(=O)N1CCN(C(=O)COCC(=O)[O-])CC1	ZINC000004784794	170016667	/nfs/dbraw/zinc/01/66/67/170016667.db2.gz	DMBKHJBLIXCDGB-UHFFFAOYSA-N	-1	0	274.273	-0.612	50	0		CBAARM
NC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000012896210	170517890	/nfs/dbraw/zinc/51/78/90/170517890.db2.gz	RVDZBXHTAXCYDI-UHFFFAOYSA-N	-1	0	276.245	-0.713	50	0		CBAARM
Nc1nc(=O)n(C[C@H](O)C(=O)[O-])cc1Br	ZINC000015230584	170659569	/nfs/dbraw/zinc/65/95/69/170659569.db2.gz	ADBQKKDPWMYBIW-BYPYZUCNSA-N	-1	0	278.062	-0.967	50	0		CBAARM
CC(=O)c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000020003366	170966790	/nfs/dbraw/zinc/96/67/90/170966790.db2.gz	IQSNRUSEFYZYGJ-SNVBAGLBSA-N	-1	0	287.293	-0.387	50	0		CBAARM
CCn1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c1=O	ZINC000662897536	414061507	/nfs/dbraw/zinc/06/15/07/414061507.db2.gz	PDQVGZXEXOXQGU-HLTSFMKQSA-N	-1	0	267.285	-0.101	50	0		CBAARM
COCCN1C[C@@H](C(=O)N(C)CC(=O)[O-])CC1=O	ZINC000037448070	173215613	/nfs/dbraw/zinc/21/56/13/173215613.db2.gz	YECVDXOEFMQEBF-QMMMGPOBSA-N	-1	0	258.274	-0.976	50	0		CBAARM
Cn1c2[nH]c(CCCCC(=O)[O-])nc2c(=O)[nH]c1=O	ZINC000082517506	544430975	/nfs/dbraw/zinc/43/09/75/544430975.db2.gz	SSBBFHWBWNRBJW-UHFFFAOYSA-N	-1	0	266.257	-0.253	50	0		CBAARM
NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000037791705	419415187	/nfs/dbraw/zinc/41/51/87/419415187.db2.gz	DXPYWQKRSIJHAV-NXEZZACHSA-N	-1	0	298.320	-0.329	50	0		CBAARM
CN1CC[C@@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])S1(=O)=O	ZINC000647598520	419619840	/nfs/dbraw/zinc/61/98/40/419619840.db2.gz	QWQCASFYARECES-BDAKNGLRSA-N	-1	0	290.341	-0.514	50	0		CBAARM
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnnn1C	ZINC000650236196	419948290	/nfs/dbraw/zinc/94/82/90/419948290.db2.gz	GMBBXJCTGZZJMQ-ZCFIWIBFSA-N	-1	0	262.291	-0.701	50	0		CBAARM
COC(=O)c1cn([C@@H](CO)C(=O)[O-])cc2c(=O)[nH]nc1-2	ZINC000524731261	420394380	/nfs/dbraw/zinc/39/43/80/420394380.db2.gz	QKIJTRQXWAPAJZ-ZETCQYMHSA-N	-1	0	281.224	-0.507	50	0		CBAARM
CCC(=O)N1CCO[C@H](CN(CC(=O)[O-])C(C)=O)C1	ZINC000681944236	545052513	/nfs/dbraw/zinc/05/25/13/545052513.db2.gz	WHTSCOAQIIAFOR-JTQLQIEISA-N	-1	0	272.301	-0.443	50	0		CBAARM
CC(C)C[C@H](CC(=O)[O-])NC(=O)CN1CC(=O)NC1=O	ZINC000426502879	279120019	/nfs/dbraw/zinc/12/00/19/279120019.db2.gz	JMZLUOIFMSLJOM-MRVPVSSYSA-N	-1	0	285.300	-0.456	50	0		CBAARM
CC(C)[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-]	ZINC000299749809	279883423	/nfs/dbraw/zinc/88/34/23/279883423.db2.gz	LPRXZOSFUSSWNU-MRVPVSSYSA-N	-1	0	285.300	-0.458	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)NCCCC(=O)[O-]	ZINC000262680937	280868375	/nfs/dbraw/zinc/86/83/75/280868375.db2.gz	ZSOZWKMBWAAJMN-UHFFFAOYSA-N	-1	0	271.273	-0.702	50	0		CBAARM
CN(CC(=O)[O-])C(=O)CCN1C(=O)NC2(CCCC2)C1=O	ZINC000269110010	289485230	/nfs/dbraw/zinc/48/52/30/289485230.db2.gz	CTPJYCGWGSDOKR-UHFFFAOYSA-N	-1	0	297.311	-0.216	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000037448084	289486921	/nfs/dbraw/zinc/48/69/21/289486921.db2.gz	JSTUSOHLQJRFHS-MRVPVSSYSA-N	-1	0	278.330	-0.657	50	0		CBAARM
C[C@@]12C=C[C@]3(O1)[C@H]1OCCCN1C(=O)[C@@H]3[C@H]2C(=O)[O-]	ZINC000004045350	297928910	/nfs/dbraw/zinc/92/89/10/297928910.db2.gz	JYQCSJSOEZQAJI-HBBZHKHPSA-N	-1	0	265.265	-0.011	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000054052005	298206451	/nfs/dbraw/zinc/20/64/51/298206451.db2.gz	ZRCMUCLASQZTTJ-ZCFIWIBFSA-N	-1	0	271.273	-0.752	50	0		CBAARM
Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nn1C	ZINC000257700394	301103250	/nfs/dbraw/zinc/10/32/50/301103250.db2.gz	OJGDBQNDQRTYRY-SECBINFHSA-N	-1	0	253.258	-0.346	50	0		CBAARM
Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC(=O)[O-]	ZINC000004370644	302324775	/nfs/dbraw/zinc/32/47/75/302324775.db2.gz	HHFKWEQNRICJBF-UHFFFAOYSA-N	-1	0	291.267	-0.921	50	0		CBAARM
Cn1c2ccc(S(=O)(=O)[O-])cc2c(=O)n(C)c1=O	ZINC000040544866	302901035	/nfs/dbraw/zinc/90/10/35/302901035.db2.gz	SPVWPTSVIHAKBL-UHFFFAOYSA-N	-1	0	270.266	-0.516	50	0		CBAARM
NC(=O)C1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])CC1	ZINC000004298348	303239300	/nfs/dbraw/zinc/23/93/00/303239300.db2.gz	CVEQOORAHGZDBO-YTWAJWBKSA-N	-1	0	294.307	-0.636	50	0		CBAARM
NC(=O)C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC000002556644	303255543	/nfs/dbraw/zinc/25/55/43/303255543.db2.gz	FXHJNPKWNYXBKP-QMMMGPOBSA-N	-1	0	262.221	-0.389	50	0		CBAARM
NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])CO2	ZINC000020283910	303443871	/nfs/dbraw/zinc/44/38/71/303443871.db2.gz	JPLWTCNEAYJRLQ-ZETCQYMHSA-N	-1	0	257.267	-0.030	50	0		CBAARM
CC(C)[C@H](NC(=O)CCc1nncn1C)C(=O)[O-]	ZINC000534588915	328316973	/nfs/dbraw/zinc/31/69/73/328316973.db2.gz	JVJMMBBSTNICRW-JTQLQIEISA-N	-1	0	254.290	-0.027	50	0		CBAARM
NC(=O)C[C@@H](NC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000000399856	326791917	/nfs/dbraw/zinc/79/19/17/326791917.db2.gz	OXZNUVREVMKPPC-SECBINFHSA-N	-1	0	250.254	-0.326	50	0		CBAARM
C[C@H](NC(=O)Cn1nnc2c1CCCC2)C(=O)[O-]	ZINC000863981849	583866070	/nfs/dbraw/zinc/86/60/70/583866070.db2.gz	ORYFVKFONJPADA-ZETCQYMHSA-N	-1	0	252.274	-0.254	50	0		CBAARM
O=C([O-])CCNC(=O)c1cnc2n(c1=O)CCS2	ZINC000037433991	597116112	/nfs/dbraw/zinc/11/61/12/597116112.db2.gz	BSYVDYXFVBVATO-UHFFFAOYSA-N	-1	0	269.282	-0.447	50	0		CBAARM
CC(C)[C@@H](NC(=O)c1cn[nH]n1)C(=O)N1CCOCC1	ZINC000175734576	656087023	/nfs/dbraw/zinc/08/70/23/656087023.db2.gz	SQJVPTFUXDSWDX-SNVBAGLBSA-N	-1	0	281.316	-0.582	50	0		CBAARM
CN(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)Cc1ccncc1	ZINC000426495889	656168912	/nfs/dbraw/zinc/16/89/12/656168912.db2.gz	XSKBDSZPLCOABW-GFCCVEGCSA-N	-1	0	293.323	-0.175	50	0		CBAARM
O=C([O-])[C@H](CO)NS(=O)(=O)CC(=O)c1ccccc1	ZINC000725376292	790820028	/nfs/dbraw/zinc/82/00/28/790820028.db2.gz	ULGPRQVODLUEBM-VIFPVBQESA-N	-1	0	287.293	-0.766	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCSc1ccccn1	ZINC001506409816	921577427	/nfs/dbraw/zinc/57/74/27/921577427.db2.gz	UPQREHMNNVZVJR-UHFFFAOYSA-N	-1	0	279.329	-0.611	50	0		CBAARM
CSC[C@H](NC(=O)CSc1nncn1C)C(=O)[O-]	ZINC001506418176	921578320	/nfs/dbraw/zinc/57/83/20/921578320.db2.gz	OBFOZBPVWZWRIZ-LURJTMIESA-N	-1	0	290.370	-0.160	50	0		CBAARM
Cc1nc(N(C)C)ncc1C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000095531308	185004510	/nfs/dbraw/zinc/00/45/10/185004510.db2.gz	GILNFTRZBDHANF-SCZZXKLOSA-N	-1	0	294.311	-0.489	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2	ZINC000096930569	185132207	/nfs/dbraw/zinc/13/22/07/185132207.db2.gz	UZXHCDQZRFNILM-DTWKUNHWSA-N	-1	0	291.238	-0.184	50	0		CBAARM
O=C([O-])C1(C(=O)N2CCN(c3cccnn3)CC2)CC1	ZINC000118959051	136581968	/nfs/dbraw/zinc/58/19/68/136581968.db2.gz	ASHUCGJLCMTOMC-UHFFFAOYSA-N	-1	0	276.296	-0.010	50	0		CBAARM
O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(F)cc1	ZINC000000091140	351297722	/nfs/dbraw/zinc/29/77/22/351297722.db2.gz	SKHNUHDOTJKEAO-QMMMGPOBSA-N	-1	0	263.246	-0.451	50	0		CBAARM
O=C([O-])CSCC(=O)N1CCN(c2ncccn2)CC1	ZINC000000157239	351299000	/nfs/dbraw/zinc/29/90/00/351299000.db2.gz	JBMPOJDPMUJIGY-UHFFFAOYSA-N	-1	0	296.352	-0.057	50	0		CBAARM
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000000874516	351301177	/nfs/dbraw/zinc/30/11/77/351301177.db2.gz	LYBZUTGQYQWJQH-IMTBSYHQSA-N	-1	0	277.273	-0.062	50	0		CBAARM
COCCOC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000001747376	351305510	/nfs/dbraw/zinc/30/55/10/351305510.db2.gz	YWXRUXCDRLDWDG-RXMQYKEDSA-N	-1	0	275.286	-0.872	50	0		CBAARM
COc1cc([C@H](O)CO)ccc1OS(=O)(=O)[O-]	ZINC000002168692	351307721	/nfs/dbraw/zinc/30/77/21/351307721.db2.gz	WUFPNASKMLJSND-SSDOTTSWSA-N	-1	0	264.255	-0.098	50	0	endogenous,in-man	CBAARM
COCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000002384439	351307730	/nfs/dbraw/zinc/30/77/30/351307730.db2.gz	WXTPPDPYUDOHOC-UOKLYIGXSA-N	-1	0	253.254	-0.501	50	0		CBAARM
COc1ccc(S(=O)(=O)NCCO)cc1C(=O)[O-]	ZINC000002338377	351307875	/nfs/dbraw/zinc/30/78/75/351307875.db2.gz	KDDGABSVNQTIJX-UHFFFAOYSA-N	-1	0	275.282	-0.336	50	0		CBAARM
COc1cc([C@@H](O)CO)ccc1OS(=O)(=O)[O-]	ZINC000002168694	351308297	/nfs/dbraw/zinc/30/82/97/351308297.db2.gz	WUFPNASKMLJSND-ZETCQYMHSA-N	-1	0	264.255	-0.098	50	0	endogenous,in-man	CBAARM
O=C([O-])CNC(=O)CCn1cnc2ccccc2c1=O	ZINC000002436526	351309158	/nfs/dbraw/zinc/30/91/58/351309158.db2.gz	AWDPMTFWDPEDMS-UHFFFAOYSA-N	-1	0	275.264	-0.013	50	0		CBAARM
COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC000002641148	351310172	/nfs/dbraw/zinc/31/01/72/351310172.db2.gz	VJAHSOIECXJUPQ-GMSGAONNSA-N	-1	0	289.309	-0.193	50	0		CBAARM
CCN1CCN(C(=O)c2nn(C)cc2C(=O)[O-])CC1	ZINC000012357994	351332885	/nfs/dbraw/zinc/33/28/85/351332885.db2.gz	WLMBQPXZMUOJEC-UHFFFAOYSA-N	-1	0	266.301	-0.104	50	0		CBAARM
CC[C@H](C)N(CC(=O)[O-])C(=O)CN1C(=O)CN(C)C1=O	ZINC000037590209	351399986	/nfs/dbraw/zinc/39/99/86/351399986.db2.gz	MOTFSPYPEOEWPN-QMMMGPOBSA-N	-1	0	285.300	-0.408	50	0		CBAARM
O=C([O-])CNC(=O)CNC(=O)CCc1ccccc1	ZINC000013944072	351338682	/nfs/dbraw/zinc/33/86/82/351338682.db2.gz	QSTWSYIYIMOCMB-UHFFFAOYSA-N	-1	0	264.281	-0.064	50	0		CBAARM
CCc1nnc(NC(=O)CCn2[n-]c(=O)ccc2=O)s1	ZINC000014095653	351339507	/nfs/dbraw/zinc/33/95/07/351339507.db2.gz	IUKOACAZNBGCEO-UHFFFAOYSA-N	-1	0	295.324	-0.021	50	0		CBAARM
COCCn1c(C(=O)[O-])cc2c1n(C)c(=O)n(C)c2=O	ZINC000019943985	351353750	/nfs/dbraw/zinc/35/37/50/351353750.db2.gz	CCJXZCAXFMCTOO-UHFFFAOYSA-N	-1	0	281.268	-0.617	50	0		CBAARM
COCCN1C[C@H](C(=O)N(C)CCC(=O)[O-])CC1=O	ZINC000037932025	351410904	/nfs/dbraw/zinc/41/09/04/351410904.db2.gz	NZSGQDUMBQOJGG-SECBINFHSA-N	-1	0	272.301	-0.586	50	0		CBAARM
C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC000049545213	351494309	/nfs/dbraw/zinc/49/43/09/351494309.db2.gz	FYVFXLWDIIXILY-QMMMGPOBSA-N	-1	0	275.264	-0.014	50	0		CBAARM
CCN(C[C@@H]1CCOC1)C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000061661415	351570406	/nfs/dbraw/zinc/57/04/06/351570406.db2.gz	OUGAPPYZBJWVGU-JTQLQIEISA-N	-1	0	281.312	-0.166	50	0		CBAARM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCSCC1	ZINC000061960583	351573336	/nfs/dbraw/zinc/57/33/36/351573336.db2.gz	RIGOXSKSGONPBI-UHFFFAOYSA-N	-1	0	255.299	-0.888	50	0		CBAARM
COCCN1C[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1=O	ZINC000062118793	351574837	/nfs/dbraw/zinc/57/48/37/351574837.db2.gz	GJUFVMMJZOPNOC-NXEZZACHSA-N	-1	0	284.312	-0.586	50	0		CBAARM
CCn1cc(-c2n[nH]c(=O)n2CCC(=O)[O-])cn1	ZINC000065394769	351588983	/nfs/dbraw/zinc/58/89/83/351588983.db2.gz	SMSXECRPYVKISG-UHFFFAOYSA-N	-1	0	251.246	-0.071	50	0		CBAARM
C[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)[C@@H]1CCCO1	ZINC000065608406	351593064	/nfs/dbraw/zinc/59/30/64/351593064.db2.gz	LVTVLPDIQDHZJS-IUCAKERBSA-N	-1	0	267.285	-0.780	50	0		CBAARM
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C(=O)[O-]	ZINC000067954824	351613405	/nfs/dbraw/zinc/61/34/05/351613405.db2.gz	LJFRRDRZIRLZLJ-JTQLQIEISA-N	-1	0	278.312	-0.261	50	0		CBAARM
CC(C)(C)OC(=O)N[C@@H](Cn1cc(C(=O)[O-])nn1)C(N)=O	ZINC000072233668	351645481	/nfs/dbraw/zinc/64/54/81/351645481.db2.gz	MADKUZZOZRQWIU-LURJTMIESA-N	-1	0	299.287	-0.645	50	0		CBAARM
CCNC(=O)N1C[C@H]2C(=O)N(CC3CC3)C[C@@]2(C(=O)[O-])C1	ZINC000072448112	351646914	/nfs/dbraw/zinc/64/69/14/351646914.db2.gz	NIOPODYBPJWDSW-IINYFYTJSA-N	-1	0	295.339	-0.029	50	0		CBAARM
O=C(NCCc1n[nH]c(=O)[n-]1)[C@@H]1COc2ccccc21	ZINC000075093025	351665760	/nfs/dbraw/zinc/66/57/60/351665760.db2.gz	CQXCCXFYLRYARP-SECBINFHSA-N	-1	0	274.280	-0.067	50	0		CBAARM
CCn1c(=O)n(C)c(=O)c2c(O)c3nn[n-]c3nc21	ZINC000075259928	351666710	/nfs/dbraw/zinc/66/67/10/351666710.db2.gz	RKTSWXYGFKAOIW-UHFFFAOYSA-N	-1	0	262.229	-0.908	50	0		CBAARM
C[C@@H]1CN(C(=O)Cn2[n-]c(=O)ccc2=O)CCO1	ZINC000089941134	351735346	/nfs/dbraw/zinc/73/53/46/351735346.db2.gz	XEVHNOJUHIHTKM-MRVPVSSYSA-N	-1	0	253.258	-0.804	50	0		CBAARM
O=C(NCCO)c1ccc2c(=O)[nH]c(=S)[n-]c2c1	ZINC000097334417	351777962	/nfs/dbraw/zinc/77/79/62/351777962.db2.gz	IQGNFLFFSMISSQ-UHFFFAOYSA-N	-1	0	265.294	-0.066	50	0		CBAARM
Cc1nc(C)c(C(=O)N2CCN(CC(=O)[O-])C[C@@H](O)C2)o1	ZINC000097446920	351778328	/nfs/dbraw/zinc/77/83/28/351778328.db2.gz	JOJXWFSHVPJWEF-SNVBAGLBSA-N	-1	0	297.311	-0.505	50	0		CBAARM
Cc1nc(C)c(C(=O)N2CCN(CC(=O)[O-])C[C@H](O)C2)o1	ZINC000097446919	351778413	/nfs/dbraw/zinc/77/84/13/351778413.db2.gz	JOJXWFSHVPJWEF-JTQLQIEISA-N	-1	0	297.311	-0.505	50	0		CBAARM
Cc1[n-]n(-c2nc(C)cc(=O)[nH]2)c(=O)c1CCO	ZINC000100922489	351781366	/nfs/dbraw/zinc/78/13/66/351781366.db2.gz	AADISNQZRQUFDA-UHFFFAOYSA-N	-1	0	250.258	-0.599	50	0		CBAARM
CCOC(=O)C(=CN[C@@H](CO)C(=O)[O-])C(=O)OCC	ZINC000100699322	351781424	/nfs/dbraw/zinc/78/14/24/351781424.db2.gz	CTUCOVSESBKMPE-QMMMGPOBSA-N	-1	0	275.257	-0.968	50	0		CBAARM
CC(=O)NC1=NC(=O)[C@H](CCCCC(=O)[O-])C(=O)N1	ZINC000100689973	351781586	/nfs/dbraw/zinc/78/15/86/351781586.db2.gz	PKEQSGHRSSSKFF-UHFFFAOYSA-N	-1	0	269.257	-0.604	50	0		CBAARM
Cc1cc2ncc(C(=O)N3CCOC[C@@H](O)C3)c(=O)n2[n-]1	ZINC000102830632	351785380	/nfs/dbraw/zinc/78/53/80/351785380.db2.gz	GAHRTLCOTOZSME-VIFPVBQESA-N	-1	0	292.295	-0.836	50	0		CBAARM
CN(CCNc1ncncc1C(=O)[O-])S(C)(=O)=O	ZINC000095373131	351769526	/nfs/dbraw/zinc/76/95/26/351769526.db2.gz	QWQDNZRRVTZUBZ-UHFFFAOYSA-N	-1	0	274.302	-0.522	50	0		CBAARM
Cc1nn(C)cc1NC(=O)NCCc1n[nH]c(=O)[n-]1	ZINC000096162821	351772842	/nfs/dbraw/zinc/77/28/42/351772842.db2.gz	CCDVCLLBLRQEIZ-UHFFFAOYSA-N	-1	0	265.277	-0.496	50	0		CBAARM
Cc1n[n-]c(N2CCN(c3ncccn3)CC2)nc1=O	ZINC000096341511	351774749	/nfs/dbraw/zinc/77/47/49/351774749.db2.gz	BODIXWDBYLOFGD-UHFFFAOYSA-N	-1	0	273.300	-0.410	50	0		CBAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1	ZINC000123019181	187066483	/nfs/dbraw/zinc/06/64/83/187066483.db2.gz	UFMPJSUWIKGOBG-QWRGUYRKSA-N	-1	0	276.292	-0.065	50	0		CBAARM
CC[C@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)[C@H]1C[C@H](O)C1	ZINC000240662383	352315480	/nfs/dbraw/zinc/31/54/80/352315480.db2.gz	PKOBBTKAPBOJLM-HGNGGELXSA-N	-1	0	281.312	-0.729	50	0		CBAARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000239432831	352315552	/nfs/dbraw/zinc/31/55/52/352315552.db2.gz	WOQRPBXJCRJRBC-GHIOYOQGSA-N	-1	0	283.280	-0.376	50	0		CBAARM
O=C([O-])[C@H]1CCCN1C(=O)Cn1ccccc1=O	ZINC000238071356	352313915	/nfs/dbraw/zinc/31/39/15/352313915.db2.gz	FTJGAZNHKKDYMY-SECBINFHSA-N	-1	0	250.254	-0.076	50	0		CBAARM
CC(=O)N[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C1CCCC1	ZINC000262924902	352436630	/nfs/dbraw/zinc/43/66/30/352436630.db2.gz	FLRJTGSPVWAIQX-VXGBXAGGSA-N	-1	0	298.339	-0.007	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000262066544	352405534	/nfs/dbraw/zinc/40/55/34/352405534.db2.gz	BFNIEAUFKVRZQK-SSDOTTSWSA-N	-1	0	283.284	-0.608	50	0		CBAARM
O=C([O-])CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000299749437	352728936	/nfs/dbraw/zinc/72/89/36/352728936.db2.gz	KHWMQNGLEYKYMA-VIFPVBQESA-N	-1	0	277.280	-0.369	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000299751498	352728961	/nfs/dbraw/zinc/72/89/61/352728961.db2.gz	QTAFVEPQHNXLKI-BIIVOSGPSA-N	-1	0	263.315	-0.354	50	0		CBAARM
O=C([O-])CNC(=O)c1cccc2c1OCC(=O)N2	ZINC000299753143	352729009	/nfs/dbraw/zinc/72/90/09/352729009.db2.gz	WZPKSGNDYSHNTC-UHFFFAOYSA-N	-1	0	250.210	-0.168	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)CCO1	ZINC000328595641	352784395	/nfs/dbraw/zinc/78/43/95/352784395.db2.gz	ZTXOZLXMCUQRSB-UWVGGRQHSA-N	-1	0	273.285	-0.506	50	0		CBAARM
O=C([O-])C1=C(CO)O[C@@]2(O)c3ccccc3C(=O)[C@@]12O	ZINC000004026728	304035292	/nfs/dbraw/zinc/03/52/92/304035292.db2.gz	LCIVSOVUGDIACQ-STQMWFEESA-N	-1	0	278.216	-0.880	50	0		CBAARM
O=C([O-])C1=C(CO)O[C@]2(O)c3ccccc3C(=O)[C@]12O	ZINC000004026727	304035403	/nfs/dbraw/zinc/03/54/03/304035403.db2.gz	LCIVSOVUGDIACQ-CHWSQXEVSA-N	-1	0	278.216	-0.880	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)c1cnn2cccnc12	ZINC000262540635	137720628	/nfs/dbraw/zinc/72/06/28/137720628.db2.gz	UYDNOQVCQUCMBB-SECBINFHSA-N	-1	0	276.252	-0.345	50	0		CBAARM
Cc1nnc(CN(C)C(=O)NCCCc2nnn[n-]2)o1	ZINC000426428723	354241718	/nfs/dbraw/zinc/24/17/18/354241718.db2.gz	FRZXKYRVZJPCPP-UHFFFAOYSA-N	-1	0	280.292	-0.335	50	0		CBAARM
CSCC[C@H](NC(=O)CN1CCOCC1)C(=O)[O-]	ZINC000426496626	354242801	/nfs/dbraw/zinc/24/28/01/354242801.db2.gz	DAYCIOWMLJFJBZ-VIFPVBQESA-N	-1	0	276.358	-0.359	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)C(=O)c1cccn1C	ZINC000426525960	354243023	/nfs/dbraw/zinc/24/30/23/354243023.db2.gz	MMCRHMNCGBAHKY-UHFFFAOYSA-N	-1	0	268.269	-0.233	50	0		CBAARM
O=C([O-])CN1CCN(C(=O)C[C@H]2CCCOC2)CC1=O	ZINC000426518915	354243095	/nfs/dbraw/zinc/24/30/95/354243095.db2.gz	FAZWWRBYOPIQBZ-SNVBAGLBSA-N	-1	0	284.312	-0.442	50	0		CBAARM
CN1CCN(CC(=O)NCc2ccc(C(=O)[O-])o2)C1=O	ZINC000426674140	354243926	/nfs/dbraw/zinc/24/39/26/354243926.db2.gz	HBLMCMSAECKWDM-UHFFFAOYSA-N	-1	0	281.268	-0.039	50	0		CBAARM
CN1CCC[C@@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O	ZINC000626776129	356548449	/nfs/dbraw/zinc/54/84/49/356548449.db2.gz	HYXDVSLPVVDWKQ-RKDXNWHRSA-N	-1	0	285.300	-0.898	50	0		CBAARM
CN1CCC[C@@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)C1=O	ZINC000626776126	356548774	/nfs/dbraw/zinc/54/87/74/356548774.db2.gz	HYXDVSLPVVDWKQ-BDAKNGLRSA-N	-1	0	285.300	-0.898	50	0		CBAARM
C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H](C(=O)[O-])O1	ZINC000630200751	356831605	/nfs/dbraw/zinc/83/16/05/356831605.db2.gz	SJXBVFXMODATJL-NXEZZACHSA-N	-1	0	284.312	-0.301	50	0		CBAARM
O=C([O-])CCn1c(=O)[nH]c2cc3c(cc2c1=O)OCO3	ZINC000020131958	304064730	/nfs/dbraw/zinc/06/47/30/304064730.db2.gz	NOTHTUUNKBDEPM-UHFFFAOYSA-N	-1	0	278.220	-0.107	50	0		CBAARM
O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1cccnc1	ZINC000072133763	304079374	/nfs/dbraw/zinc/07/93/74/304079374.db2.gz	HGLOFOXBSMHZSB-SECBINFHSA-N	-1	0	286.309	-0.054	50	0		CBAARM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299744172	200852939	/nfs/dbraw/zinc/85/29/39/200852939.db2.gz	NSFVIVAOHQVFAU-WPRPVWTQSA-N	-1	0	292.295	-0.162	50	0		CBAARM
CS(=O)(=O)NC1CCN(C(=O)c2ccncc2[O-])CC1	ZINC000221329096	189725712	/nfs/dbraw/zinc/72/57/12/189725712.db2.gz	BPARDTDPLYCVIR-UHFFFAOYSA-N	-1	0	299.352	-0.059	50	0		CBAARM
O=C([O-])[C@@H]1C[C@H]1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC000262578942	304145899	/nfs/dbraw/zinc/14/58/99/304145899.db2.gz	FDQHVDXPAUWITF-IVZWLZJFSA-N	-1	0	287.337	-0.115	50	0		CBAARM
NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])CO2	ZINC000020283913	372758094	/nfs/dbraw/zinc/75/80/94/372758094.db2.gz	JPLWTCNEAYJRLQ-SSDOTTSWSA-N	-1	0	257.267	-0.030	50	0		CBAARM
O=C([O-])[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1	ZINC000178267688	372838081	/nfs/dbraw/zinc/83/80/81/372838081.db2.gz	NISZVBYMVJCHDQ-SECBINFHSA-N	-1	0	254.286	-0.068	50	0		CBAARM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000262381971	220251677	/nfs/dbraw/zinc/25/16/77/220251677.db2.gz	IORNWWZUNCEIQP-BZNPZCIMSA-N	-1	0	277.342	-0.013	50	0		CBAARM
NC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000262320424	190052986	/nfs/dbraw/zinc/05/29/86/190052986.db2.gz	RRNRGOBLENYKBZ-JTQLQIEISA-N	-1	0	278.264	-0.289	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000004000052	304248886	/nfs/dbraw/zinc/24/88/86/304248886.db2.gz	HLDUHCYBUVVDOT-LMLFDSFASA-N	-1	0	269.253	-0.764	50	0	in-man	CBAARM
O=C([O-])CN1CCN(C(=O)C[C@@H]2CCCOC2)CC1=O	ZINC000426518914	220580939	/nfs/dbraw/zinc/58/09/39/220580939.db2.gz	FAZWWRBYOPIQBZ-JTQLQIEISA-N	-1	0	284.312	-0.442	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)CCO1	ZINC000521366001	256855095	/nfs/dbraw/zinc/85/50/95/256855095.db2.gz	OQDLBFTVMVWUDC-JTQLQIEISA-N	-1	0	280.284	-0.533	50	0		CBAARM
O=C([O-])c1coc(N2CCN[C@H](C(=O)N3CCCC3)C2)n1	ZINC000072173834	304281832	/nfs/dbraw/zinc/28/18/32/304281832.db2.gz	UAFLHYXWWGUSBD-VIFPVBQESA-N	-1	0	294.311	-0.227	50	0		CBAARM
COCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O	ZINC000012404583	292355022	/nfs/dbraw/zinc/35/50/22/292355022.db2.gz	GMXUANDJYZKPIU-VWMGYNLJSA-N	-1	0	267.281	-0.111	50	0		CBAARM
C[C@H](CN(C)C(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-]	ZINC000299741696	298483686	/nfs/dbraw/zinc/48/36/86/298483686.db2.gz	AFJADAJHEDLCCX-SSDOTTSWSA-N	-1	0	285.300	-0.504	50	0		CBAARM
O=C([O-])C[C@H](C(=O)OC[C@@H]1CCCO1)N1CCOCC1	ZINC000002248068	169783149	/nfs/dbraw/zinc/78/31/49/169783149.db2.gz	LDZSYQOAPFHKLC-WDEREUQCSA-N	-1	0	287.312	-0.116	50	0		CBAARM
COCCOC(=O)[C@@H](CC(=O)[O-])N1CCOCC1	ZINC000004487225	169971293	/nfs/dbraw/zinc/97/12/93/169971293.db2.gz	YIGCKFFLRKUIIW-SECBINFHSA-N	-1	0	261.274	-0.649	50	0		CBAARM
O=C([O-])COCC(=O)N1CCN(c2ccccn2)CC1	ZINC000004700890	170001471	/nfs/dbraw/zinc/00/14/71/170001471.db2.gz	QXPRIBVZCSCWSF-UHFFFAOYSA-N	-1	0	279.296	-0.169	50	0		CBAARM
CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004760152	170012805	/nfs/dbraw/zinc/01/28/05/170012805.db2.gz	FBAYGSYHUAWICL-LLVKDONJSA-N	-1	0	264.281	-0.065	50	0		CBAARM
[NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000004762006	170013629	/nfs/dbraw/zinc/01/36/29/170013629.db2.gz	JXWLMUIXUXLIJR-MNOVXSKESA-N	-1	0	294.307	-0.009	50	0	endogenous,in-man	CBAARM
CCOC(=O)N1CCC(NC(=O)COCC(=O)[O-])CC1	ZINC000004784756	170017303	/nfs/dbraw/zinc/01/73/03/170017303.db2.gz	HFLMOLUKSRTLGF-UHFFFAOYSA-N	-1	0	288.300	-0.175	50	0		CBAARM
COc1ccc(OC[C@H](O)CNS(=O)(=O)[O-])cc1	ZINC000004955812	170045025	/nfs/dbraw/zinc/04/50/25/170045025.db2.gz	QWBFVWXTXCNJMO-MRVPVSSYSA-N	-1	0	277.298	-0.173	50	0		CBAARM
COc1ccc(OC[C@@H](O)CNS(=O)(=O)[O-])cc1	ZINC000004955813	170045118	/nfs/dbraw/zinc/04/51/18/170045118.db2.gz	QWBFVWXTXCNJMO-QMMMGPOBSA-N	-1	0	277.298	-0.173	50	0		CBAARM
C[C@@H](NC(=O)[C@H](C)n1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000006166656	170180365	/nfs/dbraw/zinc/18/03/65/170180365.db2.gz	WDFUJPVLSHMSLI-SFYZADRCSA-N	-1	0	290.279	-0.058	50	0		CBAARM
Cc1nnc(SCC(=O)N2CCOCC2)[n-]c1=O	ZINC000008696080	170346071	/nfs/dbraw/zinc/34/60/71/170346071.db2.gz	WDFNAEWXWOZAIT-UHFFFAOYSA-N	-1	0	270.314	-0.163	50	0		CBAARM
O=C([O-])[C@H]1CCCN1Cc1oc(CO)cc(=O)c1O	ZINC000008764237	170354872	/nfs/dbraw/zinc/35/48/72/170354872.db2.gz	SYPOYNVHJQRYTA-MRVPVSSYSA-N	-1	0	269.253	-0.113	50	0		CBAARM
Cn1cc(S(=O)(=O)n2ccc(C(=O)[O-])n2)cn1	ZINC000012397865	170485132	/nfs/dbraw/zinc/48/51/32/170485132.db2.gz	WHJKBJNKJYZUCL-UHFFFAOYSA-N	-1	0	256.243	-0.448	50	0		CBAARM
CN(C)S(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000019203391	170754704	/nfs/dbraw/zinc/75/47/04/170754704.db2.gz	VOWFRWODCIQOMT-SNVBAGLBSA-N	-1	0	288.325	-0.216	50	0		CBAARM
O=C([O-])CCNC(=O)CSc1nc2[nH]cnc2c(=O)[nH]1	ZINC000021351998	171303472	/nfs/dbraw/zinc/30/34/72/171303472.db2.gz	LQJPZJYBFFNYCO-UHFFFAOYSA-N	-1	0	297.296	-0.671	50	0		CBAARM
O=C1CN(Cc2nc(=O)c3sccc3[n-]2)CCN1	ZINC000021919029	171337344	/nfs/dbraw/zinc/33/73/44/171337344.db2.gz	CSIGAJDSWBWVOP-UHFFFAOYSA-N	-1	0	264.310	-0.084	50	0		CBAARM
O=C([O-])[C@@H]1CS(=O)(=O)CN1C(=O)c1ccco1	ZINC000026421473	171482837	/nfs/dbraw/zinc/48/28/37/171482837.db2.gz	LVPPZINTABBQKW-LURJTMIESA-N	-1	0	259.239	-0.439	50	0		CBAARM
CC[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)[O-]	ZINC000035409514	172180129	/nfs/dbraw/zinc/18/01/29/172180129.db2.gz	VXRSIFJFQMWXSI-SSDOTTSWSA-N	-1	0	253.258	-0.020	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1c[nH]c2ncccc12	ZINC000036379835	172627198	/nfs/dbraw/zinc/62/71/98/172627198.db2.gz	VSMPKSJYUUOUMX-UHFFFAOYSA-N	-1	0	255.255	-0.074	50	0		CBAARM
CCn1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c1=O	ZINC000662897539	414058908	/nfs/dbraw/zinc/05/89/08/414058908.db2.gz	PDQVGZXEXOXQGU-IWSPIJDZSA-N	-1	0	267.285	-0.101	50	0		CBAARM
CN(CCCC(=O)[O-])S(=O)(=O)c1cnn(C)c1	ZINC000037463506	173225535	/nfs/dbraw/zinc/22/55/35/173225535.db2.gz	JXXDZZNUYOVFHE-UHFFFAOYSA-N	-1	0	261.303	-0.095	50	0		CBAARM
CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000038022438	174003717	/nfs/dbraw/zinc/00/37/17/174003717.db2.gz	FGJLMWXRJCZDMM-SECBINFHSA-N	-1	0	292.357	-0.266	50	0		CBAARM
Cn1c2ccccc2n(CCC(=O)[N-]S(C)(=O)=O)c1=O	ZINC000040543928	174323815	/nfs/dbraw/zinc/32/38/15/174323815.db2.gz	ZXLXRKAODTUAMV-UHFFFAOYSA-N	-1	0	297.336	-0.194	50	0		CBAARM
Cc1cccc2c(=O)n(CC(=O)[N-]S(C)(=O)=O)cnc12	ZINC000040543889	174323833	/nfs/dbraw/zinc/32/38/33/174323833.db2.gz	QFCOCMHMXVTIBX-UHFFFAOYSA-N	-1	0	295.320	-0.219	50	0		CBAARM
Cc1nn(C)c(C)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000043700716	175098023	/nfs/dbraw/zinc/09/80/23/175098023.db2.gz	OHMZDXISRFCEKH-SECBINFHSA-N	-1	0	267.285	-0.037	50	0		CBAARM
CCN1C[C@@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O	ZINC000043701890	175098189	/nfs/dbraw/zinc/09/81/89/175098189.db2.gz	RKUVVFFRTIZZPZ-DTWKUNHWSA-N	-1	0	270.285	-0.833	50	0		CBAARM
CCN1C[C@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O	ZINC000043701884	175098344	/nfs/dbraw/zinc/09/83/44/175098344.db2.gz	RKUVVFFRTIZZPZ-BDAKNGLRSA-N	-1	0	270.285	-0.833	50	0		CBAARM
Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)[O-]	ZINC000044610876	175216913	/nfs/dbraw/zinc/21/69/13/175216913.db2.gz	QIHLSJOIYFZJRX-UHFFFAOYSA-N	-1	0	273.256	-0.051	50	0		CBAARM
C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-]	ZINC000071335140	176127107	/nfs/dbraw/zinc/12/71/07/176127107.db2.gz	FYVFXLWDIIXILY-MRVPVSSYSA-N	-1	0	275.264	-0.014	50	0		CBAARM
CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])cn2)C1	ZINC000072343586	176371921	/nfs/dbraw/zinc/37/19/21/176371921.db2.gz	HBRYGFNRZVLIDG-MRVPVSSYSA-N	-1	0	259.287	-0.212	50	0		CBAARM
COc1coc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1=O	ZINC000072408251	176397702	/nfs/dbraw/zinc/39/77/02/176397702.db2.gz	CPDDTFIMAKLGQB-MRVPVSSYSA-N	-1	0	297.263	-0.036	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1	ZINC000072406478	176397775	/nfs/dbraw/zinc/39/77/75/176397775.db2.gz	RIKKLPDKTQJXPU-ZJUUUORDSA-N	-1	0	270.329	-0.208	50	0		CBAARM
CC1(C)[C@H](C(=O)NCCN2CCOCC2)[C@@H]1C(=O)[O-]	ZINC000072406475	176398037	/nfs/dbraw/zinc/39/80/37/176398037.db2.gz	RIKKLPDKTQJXPU-VHSXEESVSA-N	-1	0	270.329	-0.208	50	0		CBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)CCn2cncn2)C1	ZINC000062913042	544423506	/nfs/dbraw/zinc/42/35/06/544423506.db2.gz	LQLZSSORCUDEMI-LLVKDONJSA-N	-1	0	252.274	-0.009	50	0		CBAARM
CC(NN1CCN(C)CC1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000009286917	419406860	/nfs/dbraw/zinc/40/68/60/419406860.db2.gz	HNPCWEBBYBFCJM-UHFFFAOYSA-N	-1	0	267.289	-0.781	50	0		CBAARM
CN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000659232244	420405159	/nfs/dbraw/zinc/40/51/59/420405159.db2.gz	VYFVOJJMOBLKCR-HRDYMLBCSA-N	-1	0	275.326	-0.115	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000340195170	278065856	/nfs/dbraw/zinc/06/58/56/278065856.db2.gz	BKBUNFDMPHRABG-BDAKNGLRSA-N	-1	0	272.326	-0.159	50	0		CBAARM
CC(C)[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-]	ZINC000299749810	280294692	/nfs/dbraw/zinc/29/46/92/280294692.db2.gz	LPRXZOSFUSSWNU-QMMMGPOBSA-N	-1	0	285.300	-0.458	50	0		CBAARM
CN(CC(=O)[O-])c1cc([C@@H]2CCOC2)nc(NCCO)n1	ZINC000299764585	289492155	/nfs/dbraw/zinc/49/21/55/289492155.db2.gz	BBGHVGXJSQYIFH-SECBINFHSA-N	-1	0	296.327	-0.095	50	0		CBAARM
CN1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000004324488	290033417	/nfs/dbraw/zinc/03/34/17/290033417.db2.gz	NGZFQQFXYRLUJR-UHFFFAOYSA-N	-1	0	250.258	-0.438	50	0		CBAARM
CO[N-]C(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000025821982	293372208	/nfs/dbraw/zinc/37/22/08/293372208.db2.gz	DQSKJNMNRQUTRC-UHFFFAOYSA-N	-1	0	255.274	-0.081	50	0		CBAARM
Cc1nc[nH]c1CN1CCN(CC(=O)[O-])C(=O)[C@@H]1C	ZINC000534590656	328317854	/nfs/dbraw/zinc/31/78/54/328317854.db2.gz	LZWARSRDJHVJPS-VIFPVBQESA-N	-1	0	266.301	-0.165	50	0		CBAARM
CC(C)OCC(=O)N1CCN(CC(=O)[O-])C(=O)[C@@H]1C	ZINC000534675005	328346009	/nfs/dbraw/zinc/34/60/09/328346009.db2.gz	CEPGZKMELZWXDD-VIFPVBQESA-N	-1	0	272.301	-0.445	50	0		CBAARM
CCn1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cn1	ZINC000268973010	330067168	/nfs/dbraw/zinc/06/71/68/330067168.db2.gz	HXILBHPZVBQNAL-SECBINFHSA-N	-1	0	253.258	-0.171	50	0		CBAARM
CCn1cnc(NC(=O)NCCc2nnn[n-]2)n1	ZINC000020453821	655996895	/nfs/dbraw/zinc/99/68/95/655996895.db2.gz	RNBIEGVSQSBDBJ-UHFFFAOYSA-N	-1	0	251.254	-0.825	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)CCc1nnc(C)[nH]1	ZINC000426479094	656169269	/nfs/dbraw/zinc/16/92/69/656169269.db2.gz	YVCGNDCFKGLEHF-UHFFFAOYSA-N	-1	0	270.289	-0.395	50	0		CBAARM
Cc1n[nH]c(C)c1CCCNC(=O)Cn1[n-]nnc1=N	ZINC000952969577	658360353	/nfs/dbraw/zinc/36/03/53/658360353.db2.gz	ABKZLSMZNHQREX-UHFFFAOYSA-N	-1	0	278.320	-0.825	50	0		CBAARM
Cc1nonc1CC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)[O-]	ZINC000072439927	790354346	/nfs/dbraw/zinc/35/43/46/790354346.db2.gz	OCWHZWVMCNCDIN-NSHDSACASA-N	-1	0	291.267	-0.146	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NC[C@@H]1COc2ccccc2O1	ZINC000827864072	790871239	/nfs/dbraw/zinc/87/12/39/790871239.db2.gz	SVNKGYJERWXDEF-MRVPVSSYSA-N	-1	0	290.283	-0.958	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N1CCOc2ccccc2C1	ZINC000827967756	790873628	/nfs/dbraw/zinc/87/36/28/790873628.db2.gz	KBSBFGJCVZSWHT-UHFFFAOYSA-N	-1	0	274.284	-0.493	50	0		CBAARM
CC(=O)NC(C)(C)C[C@@H](C)N1CCN(CC(=O)[O-])C(=O)C1	ZINC001506400173	921573856	/nfs/dbraw/zinc/57/38/56/921573856.db2.gz	UWRKHDNDIPYKAN-SNVBAGLBSA-N	-1	0	299.371	-0.092	50	0		CBAARM
CC1(C)NC(=O)N(CCCC(=O)NCCC(=O)[O-])C1=O	ZINC000269198878	190476128	/nfs/dbraw/zinc/47/61/28/190476128.db2.gz	QNCMDSXLBRRQDZ-UHFFFAOYSA-N	-1	0	285.300	-0.312	50	0		CBAARM
O=C(NCc1n[nH]c(=O)[n-]1)c1cccc(-n2cccn2)n1	ZINC000084425333	178885426	/nfs/dbraw/zinc/88/54/26/178885426.db2.gz	AOOPLHOQHKRKGN-UHFFFAOYSA-N	-1	0	285.267	-0.391	50	0		CBAARM
NC(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000088375646	179588729	/nfs/dbraw/zinc/58/87/29/179588729.db2.gz	ZIURNRPNYGSPJY-JTQLQIEISA-N	-1	0	278.264	-0.289	50	0		CBAARM
O=C([O-])c1csc(CNC(=O)[C@@H]2COCCO2)n1	ZINC000090932554	180066840	/nfs/dbraw/zinc/06/68/40/180066840.db2.gz	ATBAKAWQGRTKCY-ZETCQYMHSA-N	-1	0	272.282	-0.127	50	0		CBAARM
NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1	ZINC000000001646	351297662	/nfs/dbraw/zinc/29/76/62/351297662.db2.gz	XPUWNQCCZQOGTI-AATRIKPKSA-N	-1	0	270.266	-0.087	50	0		CBAARM
CN(CCO)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000000620329	351301813	/nfs/dbraw/zinc/30/18/13/351301813.db2.gz	SEXZFBDGZBTCDM-UHFFFAOYSA-N	-1	0	259.283	-0.002	50	0		CBAARM
O=C([O-])c1nccnc1C(=O)N1CCC(O)CC1	ZINC000001029133	351302661	/nfs/dbraw/zinc/30/26/61/351302661.db2.gz	AFMFQSDQRNDGFL-UHFFFAOYSA-N	-1	0	251.242	-0.228	50	0		CBAARM
C[C@@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O	ZINC000002020246	351306541	/nfs/dbraw/zinc/30/65/41/351306541.db2.gz	SGOIRFVFHAKUTI-LURJTMIESA-N	-1	0	287.216	-0.051	50	0	in-vitro	CBAARM
O=C([O-])C[C@@H](C(=O)OC[C@@H]1CCCO1)N1CCOCC1	ZINC000002248070	351307640	/nfs/dbraw/zinc/30/76/40/351307640.db2.gz	LDZSYQOAPFHKLC-QWRGUYRKSA-N	-1	0	287.312	-0.116	50	0		CBAARM
NS(=O)(=O)c1ccc(NCS(=O)(=O)[O-])cc1	ZINC000002156420	351307954	/nfs/dbraw/zinc/30/79/54/351307954.db2.gz	AXUWLXLMZKNGIO-UHFFFAOYSA-N	-1	0	266.300	-0.409	50	0	in-man	CBAARM
CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000002525827	351308820	/nfs/dbraw/zinc/30/88/20/351308820.db2.gz	BKAYIFDRRZZKNF-VIFPVBQESA-N	-1	0	268.273	-0.952	50	0	in-vitro	CBAARM
CSCC[C@H](C(=O)[O-])N1C(=O)N[C@@H]2NC(=O)N[C@@H]21	ZINC000004029430	351316082	/nfs/dbraw/zinc/31/60/82/351316082.db2.gz	ZIJZHICDZSWHSK-NGJCXOISSA-N	-1	0	274.302	-0.817	50	0		CBAARM
O=C([O-])/C=C/C(=O)NCCNC(=O)Cc1ccc(O)cc1	ZINC000004299615	351317930	/nfs/dbraw/zinc/31/79/30/351317930.db2.gz	NFWQGBLJZREYND-AATRIKPKSA-N	-1	0	292.291	-0.192	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC000011888718	351331031	/nfs/dbraw/zinc/33/10/31/351331031.db2.gz	ACJCRPVHBHOVCG-UHFFFAOYSA-N	-1	0	270.266	-0.456	50	0		CBAARM
Cc1c(C(=O)[O-])nnn1-c1ccc(S(N)(=O)=O)cc1	ZINC000011851797	351331046	/nfs/dbraw/zinc/33/10/46/351331046.db2.gz	JGTFICUVMGAMBY-UHFFFAOYSA-N	-1	0	282.281	-0.079	50	0		CBAARM
Cn1c(=O)[nH]c(=O)c2c1nc1c(c2C(=O)[O-])CCC1	ZINC000011567458	351331261	/nfs/dbraw/zinc/33/12/61/351331261.db2.gz	MZPASJOGSZLYFZ-UHFFFAOYSA-N	-1	0	261.237	-0.191	50	0		CBAARM
C[C@H](CN1CCOCC1)NC(=O)c1nn(C)cc1C(=O)[O-]	ZINC000012358026	351332196	/nfs/dbraw/zinc/33/21/96/351332196.db2.gz	ZRWMAROVSDOBRP-SECBINFHSA-N	-1	0	296.327	-0.431	50	0		CBAARM
Cn1cc(C(=O)[O-])c(C(=O)NCCCN2CCOCC2)n1	ZINC000012358027	351332930	/nfs/dbraw/zinc/33/29/30/351332930.db2.gz	MTXWCTYTMSQZPC-UHFFFAOYSA-N	-1	0	296.327	-0.430	50	0		CBAARM
CO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000030867042	351376319	/nfs/dbraw/zinc/37/63/19/351376319.db2.gz	MCQKSAJFLCFPKA-SNVBAGLBSA-N	-1	0	262.269	-0.216	50	0		CBAARM
Cn1c(=O)c(-c2nc(=O)o[n-]2)nn(-c2ccccc2)c1=O	ZINC000032918666	351381765	/nfs/dbraw/zinc/38/17/65/351381765.db2.gz	YPBAGIQPIWCQHE-UHFFFAOYSA-N	-1	0	287.235	-0.313	50	0		CBAARM
CCn1c(SCC(=O)[O-])nc2c1n(C)c(=O)n(C)c2=O	ZINC000033274165	351383590	/nfs/dbraw/zinc/38/35/90/351383590.db2.gz	RQNBSROMMMOIME-UHFFFAOYSA-N	-1	0	298.324	-0.370	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CCO)CC1	ZINC000034926345	351386560	/nfs/dbraw/zinc/38/65/60/351386560.db2.gz	AODQYMOBHVHVCZ-ZJUUUORDSA-N	-1	0	270.329	-0.520	50	0		CBAARM
O=C([O-])[C@@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O	ZINC000036973977	351395564	/nfs/dbraw/zinc/39/55/64/351395564.db2.gz	JLVRIZCWZGXCAK-VIFPVBQESA-N	-1	0	290.279	-0.428	50	0		CBAARM
CCCn1nc(C(=O)[N-]S(C)(=O)=O)ccc1=O	ZINC000042280622	351429274	/nfs/dbraw/zinc/42/92/74/351429274.db2.gz	UOOYPMRAWLDEAJ-UHFFFAOYSA-N	-1	0	259.287	-0.657	50	0		CBAARM
CCN(CCC(=O)[O-])C(=O)CN1CSCC1=O	ZINC000038022572	351412967	/nfs/dbraw/zinc/41/29/67/351412967.db2.gz	NNEDHHXLGMARFN-UHFFFAOYSA-N	-1	0	260.315	-0.158	50	0		CBAARM
O=C([O-])CCNC(=O)Cn1ncc2ccccc2c1=O	ZINC000049548894	351494917	/nfs/dbraw/zinc/49/49/17/351494917.db2.gz	MDTOBHRDCXJGJR-UHFFFAOYSA-N	-1	0	275.264	-0.013	50	0		CBAARM
C=C(CSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000048546213	351473735	/nfs/dbraw/zinc/47/37/35/351473735.db2.gz	RMSLLILTGHQAOR-UHFFFAOYSA-N	-1	0	296.308	-0.307	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C=O)CC1	ZINC000061721652	351571562	/nfs/dbraw/zinc/57/15/62/351571562.db2.gz	LSEFKNREWDEMMY-BDAKNGLRSA-N	-1	0	254.286	-0.356	50	0		CBAARM
COCCN1C[C@@H](C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O	ZINC000062118792	351574864	/nfs/dbraw/zinc/57/48/64/351574864.db2.gz	GJUFVMMJZOPNOC-UWVGGRQHSA-N	-1	0	284.312	-0.586	50	0		CBAARM
Cc1nonc1OCCN1C[C@H](C(=O)[O-])CC1=O	ZINC000065418720	351590449	/nfs/dbraw/zinc/59/04/49/351590449.db2.gz	PNIPNTCGSWFFDL-SSDOTTSWSA-N	-1	0	255.230	-0.310	50	0		CBAARM
CC(C)CN(CC(=O)[O-])C(=O)[C@H]1CCS(=O)(=O)C1	ZINC000059881935	351562993	/nfs/dbraw/zinc/56/29/93/351562993.db2.gz	HQKRICBFYBEHKN-VIFPVBQESA-N	-1	0	277.342	-0.010	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2n[nH]nc2c1	ZINC000088375861	351724921	/nfs/dbraw/zinc/72/49/21/351724921.db2.gz	GZDNOFVRMBFKKO-JTQLQIEISA-N	-1	0	276.252	-0.117	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)CCn1ccccc1=O	ZINC000088373550	351725156	/nfs/dbraw/zinc/72/51/56/351725156.db2.gz	ZNYDLJWYTDPNBQ-SNVBAGLBSA-N	-1	0	280.280	-0.450	50	0		CBAARM
O=C([O-])c1nc[nH]c1C(=O)NCCCN1CCCC1=O	ZINC000097729501	351779428	/nfs/dbraw/zinc/77/94/28/351779428.db2.gz	SSTLNOUWIFJPDR-UHFFFAOYSA-N	-1	0	280.284	-0.150	50	0		CBAARM
O=C([O-])Cn1nc(C2CCOCC2)nc1[C@H]1CNC(=O)C1	ZINC000097696310	351779802	/nfs/dbraw/zinc/77/98/02/351779802.db2.gz	UFCACLHPRKGVRL-SECBINFHSA-N	-1	0	294.311	-0.140	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000100047733	351780294	/nfs/dbraw/zinc/78/02/94/351780294.db2.gz	CFTPNZHESBDDTO-UWVGGRQHSA-N	-1	0	287.275	-0.015	50	0		CBAARM
CC(NC[C@@H]1CCCO1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000101039313	351781436	/nfs/dbraw/zinc/78/14/36/351781436.db2.gz	CADBYXBGFREYKA-ZETCQYMHSA-N	-1	0	253.258	-0.605	50	0		CBAARM
O=S(=O)(CCCO)c1nc(Br)n[n-]1	ZINC000095116243	351768737	/nfs/dbraw/zinc/76/87/37/351768737.db2.gz	HJZNOBNRBDKQJC-UHFFFAOYSA-N	-1	0	270.108	-0.277	50	0		CBAARM
CSCC(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-]	ZINC000219738668	352238296	/nfs/dbraw/zinc/23/82/96/352238296.db2.gz	HDHQUTAZNUETHK-SFYZADRCSA-N	-1	0	263.315	-0.276	50	0		CBAARM
CN1CCN(Cc2cccc(C(=O)[O-])n2)C[C@@H]1CO	ZINC000215117684	352230870	/nfs/dbraw/zinc/23/08/70/352230870.db2.gz	MWDCOMOAYWMVDE-LLVKDONJSA-N	-1	0	265.313	-0.112	50	0		CBAARM
C[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)C1	ZINC000217750282	352234004	/nfs/dbraw/zinc/23/40/04/352234004.db2.gz	CYRCWVBNTZQSTI-ZDUSSCGKSA-N	-1	0	295.295	-0.681	50	0		CBAARM
Cn1c(=O)[nH]cc(CC(=O)NC2(C(=O)[O-])CCCC2)c1=O	ZINC000217870817	352234334	/nfs/dbraw/zinc/23/43/34/352234334.db2.gz	FCUIDTDXJWPETL-UHFFFAOYSA-N	-1	0	295.295	-0.870	50	0		CBAARM
CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000224705139	352245820	/nfs/dbraw/zinc/24/58/20/352245820.db2.gz	DGKGSOPKJPITIL-IWSPIJDZSA-N	-1	0	275.326	-0.257	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)COCC(F)(F)F	ZINC000224780165	352245849	/nfs/dbraw/zinc/24/58/49/352245849.db2.gz	MWNTYKLVBSBGPE-LURJTMIESA-N	-1	0	271.191	-0.123	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000262460406	352422684	/nfs/dbraw/zinc/42/26/84/352422684.db2.gz	XXGMKBSWVTUTGD-CIUDSAMLSA-N	-1	0	277.342	-0.011	50	0		CBAARM
CC(C)(C)S(=O)(=O)CC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262760530	352432580	/nfs/dbraw/zinc/43/25/80/352432580.db2.gz	KNPWSIKJCYRQLP-MRVPVSSYSA-N	-1	0	293.341	-0.488	50	0		CBAARM
CCc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]n1	ZINC000262956733	352436447	/nfs/dbraw/zinc/43/64/47/352436447.db2.gz	JNTBMBMXIQAQNV-SECBINFHSA-N	-1	0	253.258	-0.102	50	0		CBAARM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262915257	352436816	/nfs/dbraw/zinc/43/68/16/352436816.db2.gz	DGDCKOJIIJBXDG-GARJFASQSA-N	-1	0	287.312	-0.118	50	0		CBAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1	ZINC000134073444	187724806	/nfs/dbraw/zinc/72/48/06/187724806.db2.gz	UFMPJSUWIKGOBG-GHMZBOCLSA-N	-1	0	276.292	-0.065	50	0		CBAARM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000299747452	352728512	/nfs/dbraw/zinc/72/85/12/352728512.db2.gz	DAXPCFGWWGFHLH-HBNTYKKESA-N	-1	0	287.312	-0.118	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)COC[C@H]1CCCO1	ZINC000299751727	352728598	/nfs/dbraw/zinc/72/85/98/352728598.db2.gz	RLMPMRQXMOROMN-NXEZZACHSA-N	-1	0	273.285	-0.506	50	0		CBAARM
C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000299747130	352728972	/nfs/dbraw/zinc/72/89/72/352728972.db2.gz	CALRWBYAWQYYOJ-PRJMDXOYSA-N	-1	0	263.315	-0.401	50	0		CBAARM
CN1C[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)CC1=O	ZINC000299752193	352729011	/nfs/dbraw/zinc/72/90/11/352729011.db2.gz	SUTSGLPNKYZEAJ-SECBINFHSA-N	-1	0	284.312	-0.443	50	0		CBAARM
NC(=O)[C@@]12C(=O)NC(=O)[C@]1(C(=O)[O-])C21CCCCC1	ZINC000003122127	303322199	/nfs/dbraw/zinc/32/21/99/303322199.db2.gz	HYJVZKWRCMXYPO-RYUDHWBXSA-N	-1	0	266.253	-0.850	50	0		CBAARM
O=C([O-])C1=C(CO)O[C@]2(O)c3ccccc3C(=O)[C@@]12O	ZINC000004026726	304035213	/nfs/dbraw/zinc/03/52/13/304035213.db2.gz	LCIVSOVUGDIACQ-QWHCGFSZSA-N	-1	0	278.216	-0.880	50	0		CBAARM
CS(=O)(=O)NCC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000389240746	353790397	/nfs/dbraw/zinc/79/03/97/353790397.db2.gz	BMGUCOWXUVXJLK-UHFFFAOYSA-N	-1	0	292.357	-0.171	50	0		CBAARM
CC(C)c1c[n-]n2c1nc(S(C)(=O)=O)nc2=O	ZINC000514278577	354555141	/nfs/dbraw/zinc/55/51/41/354555141.db2.gz	ODSNLAHWJMQSAD-UHFFFAOYSA-N	-1	0	256.287	-0.056	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000584884773	355041581	/nfs/dbraw/zinc/04/15/81/355041581.db2.gz	HRNHXAHHUUIZRU-QMMMGPOBSA-N	-1	0	276.304	-0.785	50	0		CBAARM
CCCOC[C@@H]1CCN(C(=O)Cn2[n-]nnc2=N)C1	ZINC000584885814	355041637	/nfs/dbraw/zinc/04/16/37/355041637.db2.gz	YHNUYJZACFFISU-SECBINFHSA-N	-1	0	268.321	-0.639	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N[C@@H]1CC(=O)Nc2ccccc21	ZINC000584889533	355042861	/nfs/dbraw/zinc/04/28/61/355042861.db2.gz	MCJGZWLVLXRJEA-SECBINFHSA-N	-1	0	287.283	-0.715	50	0		CBAARM
O=C([O-])CC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1	ZINC000049842055	304060554	/nfs/dbraw/zinc/06/05/54/304060554.db2.gz	FLOXESKNLOMNSN-VIFPVBQESA-N	-1	0	267.289	-0.224	50	0		CBAARM
O=C([O-])CN(C(=O)Cn1cccn1)C1CCOCC1	ZINC000238102488	304065473	/nfs/dbraw/zinc/06/54/73/304065473.db2.gz	INAGGXDWUODBII-UHFFFAOYSA-N	-1	0	267.285	-0.025	50	0		CBAARM
CCn1cc([N-]S(=O)(=O)C[C@H](C)OC)c(C(N)=O)n1	ZINC000294333807	199002714	/nfs/dbraw/zinc/00/27/14/199002714.db2.gz	XXVFZDKSRWPQQX-ZETCQYMHSA-N	-1	0	290.345	-0.222	50	0		CBAARM
O=C([O-])CNC(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000037433509	304069402	/nfs/dbraw/zinc/06/94/02/304069402.db2.gz	GHFNQSQPHGXJMA-UHFFFAOYSA-N	-1	0	250.210	-0.168	50	0		CBAARM
O=C([O-])Cn1c(=O)[nH]c2cc3c(cc2c1=O)OCO3	ZINC000004370957	304090582	/nfs/dbraw/zinc/09/05/82/304090582.db2.gz	CBFNUGMBMNOZPQ-UHFFFAOYSA-N	-1	0	264.193	-0.497	50	0		CBAARM
COC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1	ZINC000000058262	372753454	/nfs/dbraw/zinc/75/34/54/372753454.db2.gz	HJAKVQDJSUIRPK-QMMMGPOBSA-N	-1	0	255.251	-0.297	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000037448083	372760089	/nfs/dbraw/zinc/76/00/89/372760089.db2.gz	JSTUSOHLQJRFHS-QMMMGPOBSA-N	-1	0	278.330	-0.657	50	0		CBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000218273619	220235992	/nfs/dbraw/zinc/23/59/92/220235992.db2.gz	NKFSOCVGIRVSQI-RKDXNWHRSA-N	-1	0	290.341	-0.657	50	0		CBAARM
CN1C[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O	ZINC000262545111	190057331	/nfs/dbraw/zinc/05/73/31/190057331.db2.gz	SMIGGHMCGFDNLM-ZETCQYMHSA-N	-1	0	266.257	-0.616	50	0		CBAARM
O=C([O-])[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H]2OCCCN2C(=O)[C@@H]13	ZINC000004046862	304210643	/nfs/dbraw/zinc/21/06/43/304210643.db2.gz	IUOYQEHMOHDDDU-GSWGEFNESA-N	-1	0	251.238	-0.401	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000002019937	304248641	/nfs/dbraw/zinc/24/86/41/304248641.db2.gz	HLDUHCYBUVVDOT-ZRUFSTJUSA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000004000054	304248701	/nfs/dbraw/zinc/24/87/01/304248701.db2.gz	HLDUHCYBUVVDOT-UKKRHICBSA-N	-1	0	269.253	-0.764	50	0	in-vitro	CBAARM
Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnc2ccnn21	ZINC000426420826	220579363	/nfs/dbraw/zinc/57/93/63/220579363.db2.gz	UIOUNEKWWISUIG-SNVBAGLBSA-N	-1	0	290.279	-0.037	50	0		CBAARM
O=C([O-])[C@H]1CCCCN1C(=O)CCn1cnnn1	ZINC000426618456	220582599	/nfs/dbraw/zinc/58/25/99/220582599.db2.gz	XPSFWYYCJBUMQD-MRVPVSSYSA-N	-1	0	253.262	-0.471	50	0		CBAARM
COC(=O)c1cn([C@H](C(=O)[O-])[C@@H](C)O)cc2c(=O)[nH]nc1-2	ZINC000524730392	256784913	/nfs/dbraw/zinc/78/49/13/256784913.db2.gz	HSJLMEADIOHYGV-ANLVUFKYSA-N	-1	0	295.251	-0.118	50	0		CBAARM
COCC[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)C(=O)[O-]	ZINC000052785009	256853554	/nfs/dbraw/zinc/85/35/54/256853554.db2.gz	QGGUJNPPVJNDAE-VHSXEESVSA-N	-1	0	286.328	-0.151	50	0		CBAARM
O=C([O-])CCNC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000001603726	169723960	/nfs/dbraw/zinc/72/39/60/169723960.db2.gz	QEFDVIRGCVDRLF-UHFFFAOYSA-N	-1	0	276.248	-0.127	50	0		CBAARM
CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O	ZINC000013151344	285759935	/nfs/dbraw/zinc/75/99/35/285759935.db2.gz	HLRQJAXOZIIORA-QYVSTXNMSA-N	-1	0	281.264	-0.584	50	0		CBAARM
COCCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O	ZINC000004064744	292355059	/nfs/dbraw/zinc/35/50/59/292355059.db2.gz	GMXUANDJYZKPIU-ORXSELOVSA-N	-1	0	267.281	-0.111	50	0		CBAARM
O=C([O-])C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000003887057	169920171	/nfs/dbraw/zinc/92/01/71/169920171.db2.gz	MFBQOHXMMCTIFD-LURJTMIESA-N	-1	0	260.271	-0.764	50	0		CBAARM
Cn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000004721800	170005394	/nfs/dbraw/zinc/00/53/94/170005394.db2.gz	XJYCASJWULLLAK-UHFFFAOYSA-N	-1	0	284.297	-0.473	50	0		CBAARM
CCOC(=O)C(=O)c1n[n-]c(C(=O)OC)c1C(=O)OC	ZINC000005398528	170094873	/nfs/dbraw/zinc/09/48/73/170094873.db2.gz	UMXDHPQXWSIFHS-UHFFFAOYSA-N	-1	0	284.224	-0.271	50	0		CBAARM
Nc1nonc1-n1nnc(C(=O)[O-])c1-c1cccnc1	ZINC000005451798	170100332	/nfs/dbraw/zinc/10/03/32/170100332.db2.gz	AHQMNHWREBXUAS-UHFFFAOYSA-N	-1	0	273.212	-0.007	50	0		CBAARM
NC(=O)NCCCCCCn1c(=O)cc([O-])[nH]c1=O	ZINC000005621432	170121082	/nfs/dbraw/zinc/12/10/82/170121082.db2.gz	RSLZKNPKORQGAQ-UHFFFAOYSA-N	-1	0	270.289	-0.316	50	0		CBAARM
C[C@@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)[O-]	ZINC000006681475	170225802	/nfs/dbraw/zinc/22/58/02/170225802.db2.gz	AWWKTCLRPBEGKA-SCSAIBSYSA-N	-1	0	278.311	-0.402	50	0		CBAARM
CN1CCN(C(=O)Cn2cc(C(=O)[O-])cn2)CC1	ZINC000020325924	171151149	/nfs/dbraw/zinc/15/11/49/171151149.db2.gz	XDSLLRWNAGIFKD-UHFFFAOYSA-N	-1	0	252.274	-0.645	50	0		CBAARM
O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCO1	ZINC000021964369	171343054	/nfs/dbraw/zinc/34/30/54/171343054.db2.gz	SBNMWDWPNCBSRV-RKDXNWHRSA-N	-1	0	253.258	-0.299	50	0		CBAARM
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCO1	ZINC000021964373	171343290	/nfs/dbraw/zinc/34/32/90/171343290.db2.gz	SBNMWDWPNCBSRV-DTWKUNHWSA-N	-1	0	253.258	-0.299	50	0		CBAARM
NC(=O)C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000022143993	171355756	/nfs/dbraw/zinc/35/57/56/171355756.db2.gz	ZOGWFTFUKWIUPV-ZETCQYMHSA-N	-1	0	290.272	-0.567	50	0		CBAARM
C[C@H]1CN(Cc2nnnn2CC(=O)[O-])C[C@H](C)O1	ZINC000034925454	171894328	/nfs/dbraw/zinc/89/43/28/171894328.db2.gz	MKUVHPKTZNXZGP-YUMQZZPRSA-N	-1	0	255.278	-0.633	50	0		CBAARM
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)[N-]n1cnnc1	ZINC000035686188	172354032	/nfs/dbraw/zinc/35/40/32/172354032.db2.gz	GGRZRUJPAVMEMW-UHFFFAOYSA-N	-1	0	294.296	-0.311	50	0		CBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCC(=O)[O-]	ZINC000037434077	173204410	/nfs/dbraw/zinc/20/44/10/173204410.db2.gz	GAYUQKRYDOLCHL-SSDOTTSWSA-N	-1	0	264.303	-0.999	50	0		CBAARM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CN1C(=O)CN(C)C1=O	ZINC000037590208	173539108	/nfs/dbraw/zinc/53/91/08/173539108.db2.gz	MOTFSPYPEOEWPN-MRVPVSSYSA-N	-1	0	285.300	-0.408	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)CN1C(=O)CN(C)C1=O	ZINC000038020579	173999000	/nfs/dbraw/zinc/99/90/00/173999000.db2.gz	FUOXYBZDZLIDLG-UHFFFAOYSA-N	-1	0	271.273	-0.796	50	0		CBAARM
CC[C@H](C(=O)[O-])N1C(=O)N[C@@H]2[C@H]1N(C)C(=O)N2C	ZINC000012418520	287512819	/nfs/dbraw/zinc/51/28/19/287512819.db2.gz	WCZAJXBDDXKDGX-VQVTYTSYSA-N	-1	0	256.262	-0.476	50	0		CBAARM
CC(=O)CC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@H]2SC1	ZINC000004317530	544417158	/nfs/dbraw/zinc/41/71/58/544417158.db2.gz	JRAFPIONUNVZSX-IMTBSYHQSA-N	-1	0	256.283	-0.453	50	0		CBAARM
O=C([O-])CNC(=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-]	ZINC000252620846	544514918	/nfs/dbraw/zinc/51/49/18/544514918.db2.gz	MNHYILZVMCZPKU-UHFFFAOYSA-N	-1	0	294.223	-0.754	50	0		CBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2nccnc2N)C1	ZINC000262061653	544517655	/nfs/dbraw/zinc/51/76/55/544517655.db2.gz	BHILVXZAKBWFST-LLVKDONJSA-N	-1	0	250.258	-0.004	50	0		CBAARM
CNS(=O)(=O)c1ccc(N(C)CC(=O)[O-])nc1	ZINC000263435593	544522721	/nfs/dbraw/zinc/52/27/21/544522721.db2.gz	VEEJCGUITHVKBW-UHFFFAOYSA-N	-1	0	259.287	-0.490	50	0		CBAARM
C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C(=O)[O-]	ZINC000263047309	544522764	/nfs/dbraw/zinc/52/27/64/544522764.db2.gz	KAPWBLBUEWXUHB-OIBJUYFYSA-N	-1	0	295.299	-0.911	50	0		CBAARM
C[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)C(=O)[O-]	ZINC000263556500	544522921	/nfs/dbraw/zinc/52/29/21/544522921.db2.gz	OQFFUEASNWWXHS-ZETCQYMHSA-N	-1	0	273.314	-0.101	50	0		CBAARM
CCOC(=O)c1c[n-]n2c1nnc(C(=O)OCC)c2=N	ZINC000101880112	419480353	/nfs/dbraw/zinc/48/03/53/419480353.db2.gz	YQGBMLVQXOJKDD-UHFFFAOYSA-N	-1	0	279.256	-0.110	50	0		CBAARM
CN1CC[C@H](C(=O)N2CCCC[C@H]2C(=O)[O-])S1(=O)=O	ZINC000647598521	419618417	/nfs/dbraw/zinc/61/84/17/419618417.db2.gz	QWQCASFYARECES-DTWKUNHWSA-N	-1	0	290.341	-0.514	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)[C@H]1CCN(C)S1(=O)=O	ZINC000647729589	419643263	/nfs/dbraw/zinc/64/32/63/419643263.db2.gz	CQPJTIDYPFNULA-MRVPVSSYSA-N	-1	0	278.330	-0.657	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)CN1CCCCC1=O	ZINC000663025580	419812433	/nfs/dbraw/zinc/81/24/33/419812433.db2.gz	ATQLVMUZTXLPNI-SECBINFHSA-N	-1	0	270.285	-0.689	50	0		CBAARM
C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000670448105	544792659	/nfs/dbraw/zinc/79/26/59/544792659.db2.gz	QTPBJQGWFUGFGS-HRDYMLBCSA-N	-1	0	283.332	-0.376	50	0		CBAARM
Cc1cnn(CCC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1	ZINC000659170532	420401657	/nfs/dbraw/zinc/40/16/57/420401657.db2.gz	XPXRXCSQLZAJPC-KOLCDFICSA-N	-1	0	267.285	-0.060	50	0		CBAARM
O=C1[N-]C(=O)C(Br)(Br)C(=O)[N-]1	ZINC000000980101	260002752	/nfs/dbraw/zinc/00/27/52/260002752.db2.gz	AMATXUCYHHHHHB-UHFFFAOYSA-N	-1	0	285.879	-0.162	50	0		CBAARM
CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1	ZINC000037832918	278144308	/nfs/dbraw/zinc/14/43/08/278144308.db2.gz	ABYGQSMFNBOJIC-BBBLOLIVSA-N	-1	0	254.286	-0.166	50	0		CBAARM
CN1CCN(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1	ZINC000006126035	290048795	/nfs/dbraw/zinc/04/87/95/290048795.db2.gz	RKFNFMGCNUMUJY-GHMZBOCLSA-N	-1	0	267.329	-0.068	50	0		CBAARM
CS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1	ZINC000037417797	295558053	/nfs/dbraw/zinc/55/80/53/295558053.db2.gz	YPQVNEVTBOLKFI-UHFFFAOYSA-N	-1	0	293.322	-0.547	50	0		CBAARM
NC(=O)C[C@@H](NC(=S)NCc1ccccc1)C(=O)[O-]	ZINC000008671134	303256679	/nfs/dbraw/zinc/25/66/79/303256679.db2.gz	REQGIXNVVOGCDG-SECBINFHSA-N	-1	0	281.337	-0.021	50	0		CBAARM
NC(=O)[C@]12C(=O)NC(=O)[C@@]1(C(=O)[O-])C21CCCCC1	ZINC000003122126	303338431	/nfs/dbraw/zinc/33/84/31/303338431.db2.gz	HYJVZKWRCMXYPO-VXGBXAGGSA-N	-1	0	266.253	-0.850	50	0		CBAARM
O=C([O-])CN1CCN(C[C@H]2CCCOC2)CC1=O	ZINC000534676199	328351836	/nfs/dbraw/zinc/35/18/36/328351836.db2.gz	RTYTUXYNRQOCQY-SNVBAGLBSA-N	-1	0	256.302	-0.358	50	0		CBAARM
CC(C)CN1C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC1=O	ZINC000090276271	327088257	/nfs/dbraw/zinc/08/82/57/327088257.db2.gz	IFLSXTJZMGISHY-ZANVPECISA-N	-1	0	286.328	-0.557	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000269093733	330067894	/nfs/dbraw/zinc/06/78/94/330067894.db2.gz	XJCXQOOSVKPHPQ-CYBMUJFWSA-N	-1	0	297.311	-0.360	50	0		CBAARM
Cc1[nH]nc(S(=O)(=O)NC[C@H]2CCCO2)c1C(=O)[O-]	ZINC000888104947	584483320	/nfs/dbraw/zinc/48/33/20/584483320.db2.gz	RUQNGCOPDUSPPN-SSDOTTSWSA-N	-1	0	289.313	-0.126	50	0		CBAARM
CN(C(=O)Cn1[n-]nnc1=N)[C@H]1CCOC(C)(C)C1	ZINC000952966285	615829452	/nfs/dbraw/zinc/82/94/52/615829452.db2.gz	VCSPZORYXJLDKA-QMMMGPOBSA-N	-1	0	268.321	-0.498	50	0		CBAARM
CN1CCO[C@@H](CNc2nccnc2C(=O)[O-])C1	ZINC000091680469	656059161	/nfs/dbraw/zinc/05/91/61/656059161.db2.gz	JUKYKVNNHLAUQF-QMMMGPOBSA-N	-1	0	252.274	-0.083	50	0		CBAARM
Cc1cc(C)nc(CNC(=O)NCc2n[nH]c(=O)[n-]2)n1	ZINC000426443534	656169041	/nfs/dbraw/zinc/16/90/41/656169041.db2.gz	ZXFYKKOHRYJMPA-UHFFFAOYSA-N	-1	0	277.288	-0.083	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCCc1ccco1	ZINC000952976065	658361195	/nfs/dbraw/zinc/36/11/95/658361195.db2.gz	KTVLTRDAKRRFTO-UHFFFAOYSA-N	-1	0	250.262	-0.572	50	0		CBAARM
Cc1cccnc1C[C@@H](C)NC(=O)Cn1[n-]nnc1=N	ZINC000952971490	658361452	/nfs/dbraw/zinc/36/14/52/658361452.db2.gz	HEBATOTYYWDPKF-SECBINFHSA-N	-1	0	275.316	-0.464	50	0		CBAARM
C[C@@H](Nc1nccc(-c2ncnn2C)n1)c1nnn[n-]1	ZINC000138276932	790394091	/nfs/dbraw/zinc/39/40/91/790394091.db2.gz	JOVSPAOWNWCOCN-ZCFIWIBFSA-N	-1	0	272.276	-0.042	50	0		CBAARM
COC(=O)c1[n-]n(C)c(=O)c1C(=O)Nc1cccnc1	ZINC000585138080	790636355	/nfs/dbraw/zinc/63/63/55/790636355.db2.gz	MQVYMAGJTRTODL-QMMMGPOBSA-N	-1	0	276.252	-0.363	50	0		CBAARM
C[C@H](Cn1cccn1)C(=O)NCCc1nc(N)cc(=O)[nH]1	ZINC000952871962	790934334	/nfs/dbraw/zinc/93/43/34/790934334.db2.gz	DYNBWRLJAOMWKD-SECBINFHSA-N	-1	0	290.327	-0.044	50	0		CBAARM
COCCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)n[nH]1	ZINC000169984500	884560886	/nfs/dbraw/zinc/56/08/86/884560886.db2.gz	GJRYJFCBOXNXPW-UHFFFAOYSA-N	-1	0	273.314	-0.007	50	0		CBAARM
CC1=C(C(=O)N2CCO[C@H](C(=O)[O-])C2)OCCO1	ZINC001506420396	921577346	/nfs/dbraw/zinc/57/73/46/921577346.db2.gz	CMDJUVBNHNDTEW-QMMMGPOBSA-N	-1	0	257.242	-0.423	50	0		CBAARM
Cc1nc(CCN2CCCC2=O)n(CC(=O)[O-])n1	ZINC000096131463	185104040	/nfs/dbraw/zinc/10/40/40/185104040.db2.gz	QCBXZIBUTOGWLF-UHFFFAOYSA-N	-1	0	252.274	-0.164	50	0		CBAARM
NC(=O)C1(c2nc(C3CCOCC3)nn2CC(=O)[O-])CC1	ZINC000097604133	185637093	/nfs/dbraw/zinc/63/70/93/185637093.db2.gz	NEAAKBKPFBKPJO-UHFFFAOYSA-N	-1	0	294.311	-0.226	50	0		CBAARM
C[C@@H]1CN(C(=O)Cc2cc(=O)[nH][n-]c2=O)CC[C@]1(C)O	ZINC000091587253	180200522	/nfs/dbraw/zinc/20/05/22/180200522.db2.gz	IARCKPSOKMVOEZ-OQPBUACISA-N	-1	0	281.312	-0.363	50	0		CBAARM
CCC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C(=O)[O-]	ZINC000091781901	180253832	/nfs/dbraw/zinc/25/38/32/180253832.db2.gz	CHVZGHFSVNHUTI-RKDXNWHRSA-N	-1	0	267.289	-0.368	50	0		CBAARM
NC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000000072970	351297778	/nfs/dbraw/zinc/29/77/78/351297778.db2.gz	TZSYKHSPQWADBE-WEVVVXLNSA-N	-1	0	261.237	-0.269	50	0		CBAARM
O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1	ZINC000000186565	351299457	/nfs/dbraw/zinc/29/94/57/351299457.db2.gz	SKHNUHDOTJKEAO-MRVPVSSYSA-N	-1	0	263.246	-0.451	50	0		CBAARM
O=C([O-])CCNC(=O)Cn1cnc2ccccc2c1=O	ZINC000000109909	351299538	/nfs/dbraw/zinc/29/95/38/351299538.db2.gz	OBOSBTNCBKMUSN-UHFFFAOYSA-N	-1	0	275.264	-0.013	50	0		CBAARM
O=C([O-])Cn1cc(I)c(=O)[nH]c1=O	ZINC000001204631	351302419	/nfs/dbraw/zinc/30/24/19/351302419.db2.gz	MDDICWDYBXXXBA-UHFFFAOYSA-N	-1	0	296.020	-0.774	50	0		CBAARM
O=C([O-])C[C@H](C(=O)OC[C@H]1CCCO1)N1CCOCC1	ZINC000002248069	351307823	/nfs/dbraw/zinc/30/78/23/351307823.db2.gz	LDZSYQOAPFHKLC-GHMZBOCLSA-N	-1	0	287.312	-0.116	50	0		CBAARM
CO[N-]C(=O)CNC(=O)c1ccc2c(c1)OCO2	ZINC000012930722	351335418	/nfs/dbraw/zinc/33/54/18/351335418.db2.gz	PDPUOSPDMNUEOV-UHFFFAOYSA-N	-1	0	252.226	-0.177	50	0		CBAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000004294771	351317452	/nfs/dbraw/zinc/31/74/52/351317452.db2.gz	HSHGZXNAXBPPDL-RCOVLWMOSA-N	-1	0	272.282	-0.869	50	0		CBAARM
CSCC[C@H](C(=O)[O-])N1C(=O)N[C@H]2NC(=O)N[C@@H]21	ZINC000013424784	351336090	/nfs/dbraw/zinc/33/60/90/351336090.db2.gz	ZIJZHICDZSWHSK-HSUXUTPPSA-N	-1	0	274.302	-0.817	50	0		CBAARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)N[C@H]2NC(=O)N[C@@H]21	ZINC000005999274	351323402	/nfs/dbraw/zinc/32/34/02/351323402.db2.gz	KQWXKPHPXIJLNH-IVZWLZJFSA-N	-1	0	290.279	-0.328	50	0		CBAARM
COCCNC(=O)Cc1csc([N-]S(C)(=O)=O)n1	ZINC000012324142	351332562	/nfs/dbraw/zinc/33/25/62/351332562.db2.gz	YWUDDQDTDIJFOP-UHFFFAOYSA-N	-1	0	293.370	-0.180	50	0		CBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)c1cccs1	ZINC000032917473	351381338	/nfs/dbraw/zinc/38/13/38/351381338.db2.gz	OXGPQSRDCMJDSF-UHFFFAOYSA-N	-1	0	278.311	-0.773	50	0		CBAARM
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000036983294	351395121	/nfs/dbraw/zinc/39/51/21/351395121.db2.gz	LQXCJUFZXPYQQX-ZCFIWIBFSA-N	-1	0	292.338	-0.017	50	0		CBAARM
COCCn1nc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1=O	ZINC000037435191	351398083	/nfs/dbraw/zinc/39/80/83/351398083.db2.gz	FTIMVQHBJVQRTK-JTQLQIEISA-N	-1	0	295.295	-0.421	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2	ZINC000018173167	351347432	/nfs/dbraw/zinc/34/74/32/351347432.db2.gz	UZXHCDQZRFNILM-BDAKNGLRSA-N	-1	0	291.238	-0.184	50	0		CBAARM
CNC(=O)CS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000019429718	351348665	/nfs/dbraw/zinc/34/86/65/351348665.db2.gz	IKXFKWCVSHAAGX-UHFFFAOYSA-N	-1	0	257.267	-0.096	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)[C@H]1CCCCN1S(C)(=O)=O	ZINC000037932011	351411506	/nfs/dbraw/zinc/41/15/06/351411506.db2.gz	CFIYVJADNRKIJQ-SECBINFHSA-N	-1	0	292.357	-0.266	50	0		CBAARM
O=C([O-])CC[C@H]1CCCCN1C(=O)Cn1cnnn1	ZINC000050921484	351504667	/nfs/dbraw/zinc/50/46/67/351504667.db2.gz	ZRVWIGJHWRFIIQ-SECBINFHSA-N	-1	0	267.289	-0.081	50	0		CBAARM
O=C(Cc1n[nH]c(=O)[n-]1)NCc1cccnc1-n1ccnc1	ZINC000067770252	351610295	/nfs/dbraw/zinc/61/02/95/351610295.db2.gz	KSIMOIASHKFQIQ-UHFFFAOYSA-N	-1	0	299.294	-0.462	50	0		CBAARM
CCCCN1CCN(C(=O)Cc2nnn[n-]2)CC1=O	ZINC000067817383	351610560	/nfs/dbraw/zinc/61/05/60/351610560.db2.gz	AIXKGGRKJAHKHD-UHFFFAOYSA-N	-1	0	266.305	-0.787	50	0		CBAARM
COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O	ZINC000071792688	351644113	/nfs/dbraw/zinc/64/41/13/351644113.db2.gz	WXTPPDPYUDOHOC-KZFFXBSXSA-N	-1	0	253.254	-0.501	50	0		CBAARM
CN1CCOc2ccc(S(=O)(=O)[N-]c3nn[nH]n3)cc21	ZINC000071446872	351644584	/nfs/dbraw/zinc/64/45/84/351644584.db2.gz	AAQDOPODDXAYDL-UHFFFAOYSA-N	-1	0	296.312	-0.171	50	0		CBAARM
O=C(COc1ccc(F)cc1)NCc1n[nH]c(=O)[n-]1	ZINC000078995234	351689673	/nfs/dbraw/zinc/68/96/73/351689673.db2.gz	XYTAKTTXZJGXHP-UHFFFAOYSA-N	-1	0	266.232	-0.068	50	0		CBAARM
CC(=O)N1CCN(C(=O)CN2CCC[C@@]2(C)C(=O)[O-])CC1	ZINC000079490446	351693462	/nfs/dbraw/zinc/69/34/62/351693462.db2.gz	WJNQJYMDJFPKJL-AWEZNQCLSA-N	-1	0	297.355	-0.384	50	0		CBAARM
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cncc(F)c1	ZINC000088377003	351725099	/nfs/dbraw/zinc/72/50/99/351725099.db2.gz	RISUQVHTCARGRD-SECBINFHSA-N	-1	0	290.272	-0.305	50	0		CBAARM
NC(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000088375643	351725289	/nfs/dbraw/zinc/72/52/89/351725289.db2.gz	ZIURNRPNYGSPJY-SNVBAGLBSA-N	-1	0	278.264	-0.289	50	0		CBAARM
CN1C[C@@H](C(=O)NCc2nnn[n-]2)Oc2ccccc21	ZINC000097076842	351775912	/nfs/dbraw/zinc/77/59/12/351775912.db2.gz	XZNATAITTKPNLU-JTQLQIEISA-N	-1	0	274.284	-0.287	50	0		CBAARM
Cn1c([O-])c(C2=NN[C@H](c3cccnc3)C2)c(=O)[nH]c1=O	ZINC000101763782	351783337	/nfs/dbraw/zinc/78/33/37/351783337.db2.gz	FNHJWFRJYDTJNY-QMMMGPOBSA-N	-1	0	287.279	-0.387	50	0		CBAARM
O=C([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	ZINC000104195814	351789654	/nfs/dbraw/zinc/78/96/54/351789654.db2.gz	TZQXBPJFWCSNDR-LNFKQOIKSA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])C1(NC(=O)N2CC[C@@H](O)C2)CCOCC1	ZINC000127661799	351864027	/nfs/dbraw/zinc/86/40/27/351864027.db2.gz	OEAOJBVCSWKAGY-MRVPVSSYSA-N	-1	0	258.274	-0.604	50	0		CBAARM
CCOC(=O)Cc1c(C)nc2nc(N)[n-]n2c1=O	ZINC000136503170	351920731	/nfs/dbraw/zinc/92/07/31/351920731.db2.gz	BPSTUZSIZHXXHF-UHFFFAOYSA-N	-1	0	251.246	-0.586	50	0		CBAARM
COCCn1c(C)cc(C)c(C(=O)Nc2nnn[n-]2)c1=O	ZINC000218564220	352235073	/nfs/dbraw/zinc/23/50/73/352235073.db2.gz	NYXFJTODKFXRPQ-UHFFFAOYSA-N	-1	0	292.299	-0.123	50	0		CBAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccccn1	ZINC000223695275	352242491	/nfs/dbraw/zinc/24/24/91/352242491.db2.gz	VXEUHZZLKWZDNK-NEPJUHHUSA-N	-1	0	294.307	-0.001	50	0		CBAARM
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)[O-]	ZINC000210709021	352229748	/nfs/dbraw/zinc/22/97/48/352229748.db2.gz	JYVVRQJOKHZHAU-BQBZGAKWSA-N	-1	0	271.273	-0.800	50	0		CBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])CCNC(=O)CC1	ZINC000257182656	352385643	/nfs/dbraw/zinc/38/56/43/352385643.db2.gz	PVBZICRKZLOIEX-SECBINFHSA-N	-1	0	292.357	-0.361	50	0		CBAARM
Cn1nnc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc21	ZINC000262903766	352435328	/nfs/dbraw/zinc/43/53/28/352435328.db2.gz	BSMHFVFZYDAFBH-NSHDSACASA-N	-1	0	290.279	-0.106	50	0		CBAARM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262915252	352436533	/nfs/dbraw/zinc/43/65/33/352436533.db2.gz	DGDCKOJIIJBXDG-AXFHLTTASA-N	-1	0	287.312	-0.118	50	0		CBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299741410	352727832	/nfs/dbraw/zinc/72/78/32/352727832.db2.gz	FSGURJWOXWSQRR-VIFPVBQESA-N	-1	0	292.357	-0.409	50	0		CBAARM
CCN1C[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)CC1=O	ZINC000299751687	352728630	/nfs/dbraw/zinc/72/86/30/352728630.db2.gz	RHLKTGGECQWRAC-SNVBAGLBSA-N	-1	0	298.339	-0.053	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000299752398	352728757	/nfs/dbraw/zinc/72/87/57/352728757.db2.gz	TZJKFOUKBVGYFU-SVRRBLITSA-N	-1	0	260.315	-0.255	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)COC[C@H]1CCCO1	ZINC000299751730	352728993	/nfs/dbraw/zinc/72/89/93/352728993.db2.gz	RLMPMRQXMOROMN-ZJUUUORDSA-N	-1	0	273.285	-0.506	50	0		CBAARM
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ncccn1	ZINC000331178714	352888533	/nfs/dbraw/zinc/88/85/33/352888533.db2.gz	MAKKOZVVADUOBX-ZETCQYMHSA-N	-1	0	258.303	-0.305	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N[C@H]1CC(=O)Nc2ccccc21	ZINC000584889534	355042704	/nfs/dbraw/zinc/04/27/04/355042704.db2.gz	MCJGZWLVLXRJEA-VIFPVBQESA-N	-1	0	287.283	-0.715	50	0		CBAARM
NS(=O)(=O)C1(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1	ZINC000585138652	355046860	/nfs/dbraw/zinc/04/68/60/355046860.db2.gz	YIIGUKQVJQQTBM-UHFFFAOYSA-N	-1	0	298.320	-0.178	50	0		CBAARM
O=C([O-])CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000178190011	304069256	/nfs/dbraw/zinc/06/92/56/304069256.db2.gz	IRLSECNIQSLJLP-RFZPGFLSSA-N	-1	0	268.191	-0.356	50	0		CBAARM
CCC[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000036836974	283543440	/nfs/dbraw/zinc/54/34/40/283543440.db2.gz	YTJQBRYVEQOQGA-RKDXNWHRSA-N	-1	0	292.357	-0.220	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000299751887	200858609	/nfs/dbraw/zinc/85/86/09/200858609.db2.gz	SENLGCVUEULFTB-MRVPVSSYSA-N	-1	0	298.324	-0.172	50	0		CBAARM
O=C([O-])[C@@H]1CCCN1C(=O)CCN1CCCS1(=O)=O	ZINC000262170028	304111423	/nfs/dbraw/zinc/11/14/23/304111423.db2.gz	UYNVVTPURHLHMV-VIFPVBQESA-N	-1	0	290.341	-0.512	50	0		CBAARM
O=C([O-])[C@@H]1CC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2	ZINC000262225268	304128661	/nfs/dbraw/zinc/12/86/61/304128661.db2.gz	UVUYIGQUHIRZOQ-UTINFBMNSA-N	-1	0	266.297	-0.023	50	0		CBAARM
[NH3+][C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004534012	372752420	/nfs/dbraw/zinc/75/24/20/372752420.db2.gz	YZQCXOFQZKCETR-ZJUUUORDSA-N	-1	0	280.280	-0.400	50	0	endogenous,in-man	CBAARM
COCCN(CC(=O)[O-])C(=O)[C@@H]1CSCN1C(C)=O	ZINC000331155896	372994133	/nfs/dbraw/zinc/99/41/33/372994133.db2.gz	VSGUWRTXDPDBMH-VIFPVBQESA-N	-1	0	290.341	-0.533	50	0		CBAARM
CCn1cc(S(=O)(=O)N[C@H](C)C(=O)[O-])nc1C	ZINC000050265439	220194877	/nfs/dbraw/zinc/19/48/77/220194877.db2.gz	SJUNCKFBLOYZAS-ZCFIWIBFSA-N	-1	0	261.303	-0.037	50	0		CBAARM
Cc1ccccc1-c1nnn(CC(=O)NCC(=O)[O-])n1	ZINC000554500940	374275453	/nfs/dbraw/zinc/27/54/53/374275453.db2.gz	NRUVAGTZIVZXTQ-UHFFFAOYSA-N	-1	0	275.268	-0.151	50	0		CBAARM
CCn1cc(S(=O)(=O)N(C)CCC(=O)[O-])cn1	ZINC000261642808	190042057	/nfs/dbraw/zinc/04/20/57/190042057.db2.gz	GMXIFIAPSZJHLV-UHFFFAOYSA-N	-1	0	261.303	-0.002	50	0		CBAARM
CCN1C[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O	ZINC000262999805	190065827	/nfs/dbraw/zinc/06/58/27/190065827.db2.gz	PQDUXKYPUSHEAT-MRVPVSSYSA-N	-1	0	280.284	-0.225	50	0		CBAARM
O=C([O-])[C@H]1CN(c2ncccn2)CCN1Cc1c[nH]cn1	ZINC000107020669	304198809	/nfs/dbraw/zinc/19/88/09/304198809.db2.gz	WCRKMQPNPXDTJB-LLVKDONJSA-N	-1	0	288.311	-0.025	50	0		CBAARM
CSC[C@H](NC(=O)CN1CCOCC1)C(=O)[O-]	ZINC000426399260	220579048	/nfs/dbraw/zinc/57/90/48/220579048.db2.gz	QFPNDMJOCUIWRU-QMMMGPOBSA-N	-1	0	262.331	-0.749	50	0		CBAARM
O=C([O-])CC1(NC(=O)CN2CC(=O)NC2=O)CCCCC1	ZINC000426689799	220580643	/nfs/dbraw/zinc/58/06/43/220580643.db2.gz	AVCYCQRTYLTIKF-UHFFFAOYSA-N	-1	0	297.311	-0.168	50	0		CBAARM
CC(C)N1C[C@@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1=O	ZINC000088375194	256853596	/nfs/dbraw/zinc/85/35/96/256853596.db2.gz	BIUYBWQZHOXGGX-VHSXEESVSA-N	-1	0	284.312	-0.445	50	0		CBAARM
O=C([O-])c1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000001109929	304283099	/nfs/dbraw/zinc/28/30/99/304283099.db2.gz	SLQFUXWZUXEQSX-UHFFFAOYSA-N	-1	0	295.299	-0.757	50	0		CBAARM
COCC(=O)N1CCN(Cc2c[nH]cn2)C[C@H](C(=O)[O-])C1	ZINC000097370553	292177141	/nfs/dbraw/zinc/17/71/41/292177141.db2.gz	KIRMZBTZWWSQGL-JTQLQIEISA-N	-1	0	296.327	-0.599	50	0		CBAARM
Cc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000001837906	169759033	/nfs/dbraw/zinc/75/90/33/169759033.db2.gz	GFMIXHRADKOCKD-UHFFFAOYSA-N	-1	0	250.254	-0.074	50	0		CBAARM
O=C([O-])C[C@@H](C(=O)OC[C@H]1CCCO1)N1CCOCC1	ZINC000002248071	169783280	/nfs/dbraw/zinc/78/32/80/169783280.db2.gz	LDZSYQOAPFHKLC-MNOVXSKESA-N	-1	0	287.312	-0.116	50	0		CBAARM
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000004294790	292544839	/nfs/dbraw/zinc/54/48/39/292544839.db2.gz	WXTPPDPYUDOHOC-JXVAYASWSA-N	-1	0	253.254	-0.501	50	0		CBAARM
CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004760151	170013051	/nfs/dbraw/zinc/01/30/51/170013051.db2.gz	FBAYGSYHUAWICL-NSHDSACASA-N	-1	0	264.281	-0.065	50	0		CBAARM
O=C(Cn1[n-]c(=O)ccc1=O)Nc1nnc(C2CC2)s1	ZINC000008392046	170334618	/nfs/dbraw/zinc/33/46/18/170334618.db2.gz	IDVBOEWMWJOTKP-UHFFFAOYSA-N	-1	0	293.308	-0.096	50	0		CBAARM
NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CCC(=O)[O-]	ZINC000008728649	170350145	/nfs/dbraw/zinc/35/01/45/170350145.db2.gz	WKRIYKYDPGIKRA-UHFFFAOYSA-N	-1	0	286.265	-0.283	50	0		CBAARM
Cc1cc(=O)n2nc(CC(=O)NCc3cccnc3)[n-]c2n1	ZINC000009060964	170362572	/nfs/dbraw/zinc/36/25/72/170362572.db2.gz	HGTPNJCDJSFAAG-UHFFFAOYSA-N	-1	0	298.306	-0.020	50	0		CBAARM
CCC[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000036836973	411624193	/nfs/dbraw/zinc/62/41/93/411624193.db2.gz	YTJQBRYVEQOQGA-DTWKUNHWSA-N	-1	0	292.357	-0.220	50	0		CBAARM
CC(=O)NCCNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000013071391	170530245	/nfs/dbraw/zinc/53/02/45/170530245.db2.gz	IGJYPQHELZEIKC-UHFFFAOYSA-N	-1	0	286.309	-0.201	50	0		CBAARM
NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1	ZINC000019399941	170784720	/nfs/dbraw/zinc/78/47/20/170784720.db2.gz	OQZBIRJTOGZMCR-ZETCQYMHSA-N	-1	0	284.293	-0.229	50	0		CBAARM
Cc1c(CNC(=O)Cn2ccc(C(=O)[O-])n2)cnn1C	ZINC000020320373	171148998	/nfs/dbraw/zinc/14/89/98/171148998.db2.gz	QBDLOIDKIHFOHZ-UHFFFAOYSA-N	-1	0	277.284	-0.060	50	0		CBAARM
NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)[O-]	ZINC000022144283	171355811	/nfs/dbraw/zinc/35/58/11/171355811.db2.gz	KPEGVJBOQKWKMJ-MRVPVSSYSA-N	-1	0	254.217	-0.116	50	0		CBAARM
COCCN1C[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O	ZINC000033442070	171802225	/nfs/dbraw/zinc/80/22/25/171802225.db2.gz	RWQSMRHEJGPGDN-NXEZZACHSA-N	-1	0	284.312	-0.443	50	0		CBAARM
C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-]	ZINC000037415005	173191879	/nfs/dbraw/zinc/19/18/79/173191879.db2.gz	MGZPCTYVXOSJPA-LURJTMIESA-N	-1	0	272.282	-0.463	50	0		CBAARM
O=C([O-])CCn1ccc2c(nnc3ccnn32)c1=O	ZINC000040163915	174197106	/nfs/dbraw/zinc/19/71/06/174197106.db2.gz	PFSYJSHDWADQGZ-UHFFFAOYSA-N	-1	0	259.225	-0.086	50	0		CBAARM
O=C([O-])[C@]1(NC(=O)[C@@H]2COCCO2)CCSC1	ZINC000043509144	175059666	/nfs/dbraw/zinc/05/96/66/175059666.db2.gz	QBUJWIQWNQKOHO-XVKPBYJWSA-N	-1	0	261.299	-0.522	50	0		CBAARM
CC(=O)N(C)CC(=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000043510174	175060142	/nfs/dbraw/zinc/06/01/42/175060142.db2.gz	HGIFJWSPPQHJOV-JTQLQIEISA-N	-1	0	260.315	-0.459	50	0		CBAARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)NC[C@H]1CCCO1	ZINC000071405388	176155382	/nfs/dbraw/zinc/15/53/82/176155382.db2.gz	OYKADJAEHOMHCZ-ZCFIWIBFSA-N	-1	0	286.313	-0.742	50	0		CBAARM
CN1NC(c2cccc(C(=O)[O-])c2)=C2NN=C(N)N21	ZINC000039929537	544418565	/nfs/dbraw/zinc/41/85/65/544418565.db2.gz	NUUKYBNWXCDUPU-UHFFFAOYSA-N	-1	0	260.257	-0.489	50	0		CBAARM
CN1NC(c2ccccc2C(=O)[O-])=C2NN=C(N)N21	ZINC000075284525	544424556	/nfs/dbraw/zinc/42/45/56/544424556.db2.gz	ULGCQVCDRBIFEE-UHFFFAOYSA-N	-1	0	260.257	-0.489	50	0		CBAARM
Cc1cn(CC(=O)N[C@@H](CC(=O)[O-])C(C)C)c(=O)[nH]c1=O	ZINC000222793500	544491427	/nfs/dbraw/zinc/49/14/27/544491427.db2.gz	UZUZRBUHNLGRNH-VIFPVBQESA-N	-1	0	297.311	-0.539	50	0		CBAARM
Cc1ccc(-c2nnn(CC(=O)NCC(=O)[O-])n2)cc1	ZINC000237814159	544509725	/nfs/dbraw/zinc/50/97/25/544509725.db2.gz	NJSDABKPRXNDEZ-UHFFFAOYSA-N	-1	0	275.268	-0.151	50	0		CBAARM
Cn1cc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cn1	ZINC000262406563	544522893	/nfs/dbraw/zinc/52/28/93/544522893.db2.gz	ASKWEEXNSBHPPP-JTQLQIEISA-N	-1	0	267.285	-0.335	50	0		CBAARM
CC(NN1CCOCC1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000005025457	419406394	/nfs/dbraw/zinc/40/63/94/419406394.db2.gz	DRRXAEWONXMIIK-UHFFFAOYSA-N	-1	0	254.246	-0.697	50	0		CBAARM
CC(C)[C@]1(O)CN(C(=O)Cc2cc(=O)[n-][nH]c2=O)C[C@H]1C	ZINC000091551619	419476050	/nfs/dbraw/zinc/47/60/50/419476050.db2.gz	QINCFWMIXLKVLB-YMTOWFKASA-N	-1	0	295.339	-0.117	50	0		CBAARM
CCOC(=O)CCc1c(C)nc2[n-]c(CO)nn2c1=O	ZINC000101803242	419479073	/nfs/dbraw/zinc/47/90/73/419479073.db2.gz	TXEWZKAWTCEFBP-UHFFFAOYSA-N	-1	0	280.284	-0.286	50	0		CBAARM
Cc1ccn2cc(CNC(=O)c3n[nH]c(=O)[n-]3)nc2c1	ZINC000048750363	419448605	/nfs/dbraw/zinc/44/86/05/419448605.db2.gz	HCYFYWUDHDMUGT-UHFFFAOYSA-N	-1	0	272.268	-0.016	50	0		CBAARM
CCN1C[C@@H](C(=O)N(CCOC)CC(=O)[O-])CC1=O	ZINC000049606783	419454438	/nfs/dbraw/zinc/45/44/38/419454438.db2.gz	RLCALEAPBUVOPE-VIFPVBQESA-N	-1	0	272.301	-0.586	50	0		CBAARM
Nc1nonc1-n1nnc(C(=O)[O-])c1CN1CCCC1	ZINC000004281552	295375954	/nfs/dbraw/zinc/37/59/54/295375954.db2.gz	PJPZKZPMZWJYAO-UHFFFAOYSA-N	-1	0	279.260	-0.474	50	0		CBAARM
Cn1c2[nH]c(CCCC(=O)[O-])nc2c(=O)n(C)c1=O	ZINC000008581221	302903347	/nfs/dbraw/zinc/90/33/47/302903347.db2.gz	NGBYKZGOXFIONW-UHFFFAOYSA-N	-1	0	266.257	-0.632	50	0		CBAARM
Cn1nnc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])ccc21	ZINC000262402810	303107395	/nfs/dbraw/zinc/10/73/95/303107395.db2.gz	BBTKTEDVHTYMLK-LLVKDONJSA-N	-1	0	290.279	-0.106	50	0		CBAARM
[NH3+][C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004534013	303479341	/nfs/dbraw/zinc/47/93/41/303479341.db2.gz	YZQCXOFQZKCETR-NXEZZACHSA-N	-1	0	280.280	-0.400	50	0	endogenous,in-man	CBAARM
Cc1cc(C(=O)NC2CCN(CC(N)=O)CC2)c(O)cn1	ZINC000534581456	328311917	/nfs/dbraw/zinc/31/19/17/328311917.db2.gz	GFNQQIRNSOYVBA-UHFFFAOYSA-N	-1	0	292.339	-0.225	50	0		CBAARM
O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(c2cccnn2)CC1	ZINC000268913685	600080532	/nfs/dbraw/zinc/08/05/32/600080532.db2.gz	OKWNPCOTOMBPHQ-ZJUUUORDSA-N	-1	0	276.296	-0.154	50	0		CBAARM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2cccnn2)CC1	ZINC000268913683	600080742	/nfs/dbraw/zinc/08/07/42/600080742.db2.gz	OKWNPCOTOMBPHQ-VHSXEESVSA-N	-1	0	276.296	-0.154	50	0		CBAARM
CCc1ccc(CN(C)C(=O)Cn2[n-]nnc2=N)nc1	ZINC000952977434	615673353	/nfs/dbraw/zinc/67/33/53/615673353.db2.gz	BCBKBJNMRPLBEA-UHFFFAOYSA-N	-1	0	275.316	-0.298	50	0		CBAARM
CN(CCC[C@@H]1CCCO1)C(=O)Cn1[n-]nnc1=N	ZINC000952976025	616076223	/nfs/dbraw/zinc/07/62/23/616076223.db2.gz	DIWBUWVZZGBIPY-SECBINFHSA-N	-1	0	268.321	-0.497	50	0		CBAARM
Cc1n[nH]c(C)c1CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000037432082	656002485	/nfs/dbraw/zinc/00/24/85/656002485.db2.gz	GUXCNLNFYILBLF-XCBNKYQSSA-N	-1	0	255.274	-0.481	50	0		CBAARM
C[C@H](C(=O)NCc1n[n-]c(=N)s1)N1CCN(C)CC1	ZINC000426422055	656169294	/nfs/dbraw/zinc/16/92/94/656169294.db2.gz	WPEPPZFNSIYSKJ-MRVPVSSYSA-N	-1	0	284.389	-0.797	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCc1nc2ccccc2o1	ZINC000952979142	658361081	/nfs/dbraw/zinc/36/10/81/658361081.db2.gz	MVUVYIBNOLNKQV-UHFFFAOYSA-N	-1	0	287.283	-0.414	50	0		CBAARM
COCCC1(C(=O)NCC(=O)NCC(=O)[O-])CCCC1	ZINC000585138085	790636031	/nfs/dbraw/zinc/63/60/31/790636031.db2.gz	NKJMCCKJXAKKFH-UHFFFAOYSA-N	-1	0	286.328	-0.100	50	0		CBAARM
O=C([N-]Cc1cn([C@@H]2CCOC2=O)nn1)C(F)(F)F	ZINC000585138861	790637133	/nfs/dbraw/zinc/63/71/33/790637133.db2.gz	BXWZWBAXRSSQIH-ZCFIWIBFSA-N	-1	0	278.190	-0.055	50	0		CBAARM
Cc1ccccc1OC[C@@H](O)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000827627091	790867084	/nfs/dbraw/zinc/86/70/84/790867084.db2.gz	AMWUDBNQIDYUKE-SECBINFHSA-N	-1	0	292.295	-0.125	50	0		CBAARM
CC(C)N1CCNC(=O)[C@H]1CC(=O)NC1(C(=O)[O-])CCC1	ZINC000828000389	790872900	/nfs/dbraw/zinc/87/29/00/790872900.db2.gz	KIDJAUGJKYAVAM-SNVBAGLBSA-N	-1	0	297.355	-0.291	50	0		CBAARM
CCNC(=O)[C@@H](C)[N-]S(=O)(=O)N=S(=O)(CC)CC	ZINC000585115229	884565996	/nfs/dbraw/zinc/56/59/96/884565996.db2.gz	RPWYYUMBXHOBSV-MRVPVSSYSA-N	-1	0	299.418	-0.147	50	0		CBAARM
NC(=O)CN1CC[C@](Cc2ccccc2)(C(=O)[O-])[C@@H](O)C1	ZINC001529114646	922875308	/nfs/dbraw/zinc/87/53/08/922875308.db2.gz	RKXDJSBIFFIWST-SWLSCSKDSA-N	-1	0	292.335	-0.148	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000004070937	230368333	/nfs/dbraw/zinc/36/83/33/230368333.db2.gz	KMWLQLFXKIZXLM-UHFFFAOYSA-N	-1	0	273.266	-0.179	50	0		CBAARM
O=C([O-])CCOCCOCCOCCOCCO	ZINC000083254087	178371095	/nfs/dbraw/zinc/37/10/95/178371095.db2.gz	UQWLGZFJGVEDCQ-UHFFFAOYSA-N	-1	0	266.290	-0.480	50	0		CBAARM
COCCc1nc(-c2cnn(C)c2)n(CC(=O)[O-])n1	ZINC000097117097	185540632	/nfs/dbraw/zinc/54/06/32/185540632.db2.gz	KXOMCTGSLKQOMD-UHFFFAOYSA-N	-1	0	265.273	-0.048	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000054052004	295798682	/nfs/dbraw/zinc/79/86/82/295798682.db2.gz	ZRCMUCLASQZTTJ-LURJTMIESA-N	-1	0	271.273	-0.752	50	0		CBAARM
CN1C[C@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O	ZINC000091293473	180124763	/nfs/dbraw/zinc/12/47/63/180124763.db2.gz	JJDAPWWXULEUGL-RKDXNWHRSA-N	-1	0	270.285	-0.833	50	0		CBAARM
O=C([O-])c1ccc(NC(=O)Cn2cnnn2)c(O)c1	ZINC000000046831	351298478	/nfs/dbraw/zinc/29/84/78/351298478.db2.gz	ACKHKSSKSOTEBG-UHFFFAOYSA-N	-1	0	263.213	-0.284	50	0		CBAARM
O=C([O-])CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000000157234	351299313	/nfs/dbraw/zinc/29/93/13/351299313.db2.gz	GOLFKHJNLTVYSL-UHFFFAOYSA-N	-1	0	264.285	-0.010	50	0		CBAARM
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000000874518	351301368	/nfs/dbraw/zinc/30/13/68/351301368.db2.gz	LYBZUTGQYQWJQH-HZGVNTEJSA-N	-1	0	277.273	-0.062	50	0		CBAARM
COC(=O)CCCc1c([O-])n(C)c(=O)n(C)c1=O	ZINC000001389982	351302976	/nfs/dbraw/zinc/30/29/76/351302976.db2.gz	HYCXVMVMMIHKSQ-UHFFFAOYSA-N	-1	0	256.258	-0.004	50	0		CBAARM
O=C([O-])[C@@H](CO)NC(=O)CNC(=O)OCc1ccccc1	ZINC000001575528	351303739	/nfs/dbraw/zinc/30/37/39/351303739.db2.gz	QJBVPDSNNNZVKZ-SNVBAGLBSA-N	-1	0	296.279	-0.526	50	0		CBAARM
C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O	ZINC000001543475	351304007	/nfs/dbraw/zinc/30/40/07/351304007.db2.gz	SGOIRFVFHAKUTI-ZCFIWIBFSA-N	-1	0	287.216	-0.051	50	0	fda	CBAARM
COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC000002641146	351310356	/nfs/dbraw/zinc/31/03/56/351310356.db2.gz	VJAHSOIECXJUPQ-XCBNKYQSSA-N	-1	0	289.309	-0.193	50	0		CBAARM
O=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000002853349	351311865	/nfs/dbraw/zinc/31/18/65/351311865.db2.gz	VMRRPDNLYZWYLO-UHFFFAOYSA-N	-1	0	285.281	-0.391	50	0		CBAARM
O=S(=O)(c1ccc2nnn([O-])c2c1)N1CCOCC1	ZINC000003324518	351312953	/nfs/dbraw/zinc/31/29/53/351312953.db2.gz	DRTKWKYMHRDNTH-UHFFFAOYSA-N	-1	0	284.297	-0.311	50	0		CBAARM
C[C@H](NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc21)C(=O)[O-]	ZINC000003191985	351313220	/nfs/dbraw/zinc/31/32/20/351313220.db2.gz	ARTYSUSQKLAXHH-RCOVLWMOSA-N	-1	0	276.248	-0.119	50	0		CBAARM
CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C)N1CCO	ZINC000004192749	351316606	/nfs/dbraw/zinc/31/66/06/351316606.db2.gz	MQBNKEARFMCIQU-UHFFFAOYSA-N	-1	0	277.280	-0.236	50	0		CBAARM
Cn1c2ccc(S(=O)(=O)NCC(=O)[O-])cc2n(C)c1=O	ZINC000004504440	351318839	/nfs/dbraw/zinc/31/88/39/351318839.db2.gz	OKCVAYLTHWKOKJ-UHFFFAOYSA-N	-1	0	299.308	-0.760	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000004510624	351319581	/nfs/dbraw/zinc/31/95/81/351319581.db2.gz	QCGWYPLAKAIJFP-UHFFFAOYSA-N	-1	0	271.254	-0.781	50	0		CBAARM
Cn1ncc(C(=O)[O-])c1C(=O)NCCCN1CCOCC1	ZINC000012357953	351333026	/nfs/dbraw/zinc/33/30/26/351333026.db2.gz	ZUHDQOMTJQPYSW-UHFFFAOYSA-N	-1	0	296.327	-0.430	50	0		CBAARM
O=c1c(=O)c2c1NCCCN2CC[P@](=O)([O-])O	ZINC000026496985	351367316	/nfs/dbraw/zinc/36/73/16/351367316.db2.gz	BDABGOLMYNHHTR-UHFFFAOYSA-N	-1	0	260.186	-0.918	50	0	investigational	CBAARM
Cc1nn(C)c(=O)c(C(=O)N2CSC[C@H]2C(=O)[O-])c1C	ZINC000036979344	351395212	/nfs/dbraw/zinc/39/52/12/351395212.db2.gz	FVHAALDTGXCVCG-QMMMGPOBSA-N	-1	0	297.336	-0.003	50	0		CBAARM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000036967644	351395517	/nfs/dbraw/zinc/39/55/17/351395517.db2.gz	AIWDQGVOTGOVPK-LURJTMIESA-N	-1	0	261.303	-0.212	50	0		CBAARM
Cc1[n-]n(-c2nc3c(c(=O)[nH]2)CCC3)c(=O)c1CCO	ZINC000016958532	351344948	/nfs/dbraw/zinc/34/49/48/351344948.db2.gz	QABAVMUVVKBDCW-UHFFFAOYSA-N	-1	0	276.296	-0.007	50	0		CBAARM
CO[N-]C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21	ZINC000025825292	351364760	/nfs/dbraw/zinc/36/47/60/351364760.db2.gz	JCZVZSZDBLAOSX-ZETCQYMHSA-N	-1	0	283.309	-0.209	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000061721511	351571196	/nfs/dbraw/zinc/57/11/96/351571196.db2.gz	HGMIOBADWSHESY-WDSKDSINSA-N	-1	0	267.241	-0.642	50	0		CBAARM
O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)CCN1CCCCO1	ZINC000065366167	351589177	/nfs/dbraw/zinc/58/91/77/351589177.db2.gz	XEJVUKKPGMGQRJ-WDEREUQCSA-N	-1	0	286.328	-0.160	50	0		CBAARM
O=C([O-])C1(O)CCN(c2cc(NCCO)ncn2)CC1	ZINC000071757292	351644368	/nfs/dbraw/zinc/64/43/68/351644368.db2.gz	UDGISZSWAGIZQR-UHFFFAOYSA-N	-1	0	282.300	-0.703	50	0		CBAARM
C[C@@H]1CO[C@@H](C)CN1C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000069453638	351628310	/nfs/dbraw/zinc/62/83/10/351628310.db2.gz	AMDHEUMMTDVUMW-BDAKNGLRSA-N	-1	0	267.285	-0.828	50	0		CBAARM
CN(C)c1cc(C(=O)NCCc2n[nH]c(=O)[n-]2)ccn1	ZINC000075092706	351665466	/nfs/dbraw/zinc/66/54/66/351665466.db2.gz	WUTYCYPNTOZWFU-UHFFFAOYSA-N	-1	0	276.300	-0.469	50	0		CBAARM
O=C(NCCc1n[nH]c(=O)[n-]1)[C@H]1COc2ccccc21	ZINC000075093026	351665704	/nfs/dbraw/zinc/66/57/04/351665704.db2.gz	CQXCCXFYLRYARP-VIFPVBQESA-N	-1	0	274.280	-0.067	50	0		CBAARM
Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088375511	351725244	/nfs/dbraw/zinc/72/52/44/351725244.db2.gz	WZUCKLQCRAGBJE-LLVKDONJSA-N	-1	0	281.312	-0.109	50	0		CBAARM
CO[N-]C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	ZINC000097133582	351776951	/nfs/dbraw/zinc/77/69/51/351776951.db2.gz	XNHNXEJCINGKFU-UHFFFAOYSA-N	-1	0	283.309	-0.255	50	0		CBAARM
CCC(=O)Nc1nn2c([n-]1)nc(COC)cc2=O	ZINC000102798213	351784878	/nfs/dbraw/zinc/78/48/78/351784878.db2.gz	RAEBOIRSFSEWBZ-UHFFFAOYSA-N	-1	0	251.246	-0.088	50	0		CBAARM
Cn1cnnc1SCCNC(=O)c1cc(=O)[n-]o1	ZINC000216163099	352231059	/nfs/dbraw/zinc/23/10/59/352231059.db2.gz	VSDMYAMOIMKEIP-UHFFFAOYSA-N	-1	0	269.286	-0.382	50	0		CBAARM
C[C@@H](NC(=O)CCCn1cncn1)c1nc(=O)[nH][nH]1	ZINC000216034965	352231725	/nfs/dbraw/zinc/23/17/25/352231725.db2.gz	PRDOYRVADMDRTO-SSDOTTSWSA-N	-1	0	265.277	-0.653	50	0		CBAARM
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1nc(=O)[nH][nH]1	ZINC000216369006	352231735	/nfs/dbraw/zinc/23/17/35/352231735.db2.gz	YLBKYBPFJWFQDS-QMMMGPOBSA-N	-1	0	269.305	-0.735	50	0		CBAARM
O=C(NCc1c[nH]c(=O)[nH]c1=O)c1ccc2nccn2c1	ZINC000223529431	352242756	/nfs/dbraw/zinc/24/27/56/352242756.db2.gz	MGUWAGRPCUPPNB-UHFFFAOYSA-N	-1	0	285.263	-0.359	50	0		CBAARM
O=C(CC1(O)C(=O)[N-]C(=O)NC1=O)c1ccc(F)cc1	ZINC000226795095	352253778	/nfs/dbraw/zinc/25/37/78/352253778.db2.gz	VKEOQZZCIFREND-UHFFFAOYSA-N	-1	0	280.211	-0.504	50	0		CBAARM
C[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C(=O)[O-]	ZINC000235676629	352287723	/nfs/dbraw/zinc/28/77/23/352287723.db2.gz	NACOMEOPVHWKSH-OYNCUSHFSA-N	-1	0	254.286	-0.023	50	0		CBAARM
CN(CC(=O)N1CCCC[C@H]1C(=O)[O-])S(C)(=O)=O	ZINC000262646837	352429650	/nfs/dbraw/zinc/42/96/50/352429650.db2.gz	IONFDKDATQYBGQ-QMMMGPOBSA-N	-1	0	278.330	-0.657	50	0		CBAARM
CC(=O)N[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000262924900	352436390	/nfs/dbraw/zinc/43/63/90/352436390.db2.gz	FLRJTGSPVWAIQX-RYUDHWBXSA-N	-1	0	298.339	-0.007	50	0		CBAARM
CCc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]n1	ZINC000262956734	352436684	/nfs/dbraw/zinc/43/66/84/352436684.db2.gz	JNTBMBMXIQAQNV-VIFPVBQESA-N	-1	0	253.258	-0.102	50	0		CBAARM
CN(CC(C)(CO)CO)c1cnc(C(=O)[O-])cn1	ZINC000263499923	352443254	/nfs/dbraw/zinc/44/32/54/352443254.db2.gz	KNXLDPMGFCEMAP-UHFFFAOYSA-N	-1	0	255.274	-0.398	50	0		CBAARM
CN(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)S(C)(=O)=O	ZINC000299744637	352728884	/nfs/dbraw/zinc/72/88/84/352728884.db2.gz	PNUJXECCHDWKMA-SNVBAGLBSA-N	-1	0	278.330	-0.799	50	0		CBAARM
CN(CCCC(=O)[O-])C(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000299748502	352728912	/nfs/dbraw/zinc/72/89/12/352728912.db2.gz	HGKLURIIKXURIJ-UHFFFAOYSA-N	-1	0	285.300	-0.360	50	0		CBAARM
O=C([O-])CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299748524	352729064	/nfs/dbraw/zinc/72/90/64/352729064.db2.gz	HIQBICXUBBFFNF-SSDOTTSWSA-N	-1	0	266.257	-0.647	50	0		CBAARM
C[N@@H+]1C[C@H](NC(=O)c2ncccc2[O-])C[C@H]1C(=O)[O-]	ZINC000299780179	352729849	/nfs/dbraw/zinc/72/98/49/352729849.db2.gz	KEOVUGBVSVINCN-SFYZADRCSA-N	-1	0	265.269	-0.326	50	0		CBAARM
Cc1cc(CC(=O)N2CCOC[C@H]2C(=O)[O-])no1	ZINC000257648549	137692378	/nfs/dbraw/zinc/69/23/78/137692378.db2.gz	BLEYHXNQOCVIPL-VIFPVBQESA-N	-1	0	254.242	-0.162	50	0		CBAARM
CC[C@@H](NC(=O)c1cnc2c(O)cccn2c1=O)C(=O)[O-]	ZINC000426593550	354243053	/nfs/dbraw/zinc/24/30/53/354243053.db2.gz	DGMCWSBCGPHMEG-MRVPVSSYSA-N	-1	0	291.263	-0.007	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)Cc1c(C)nc(C)[nH]c1=O	ZINC000426604575	354243180	/nfs/dbraw/zinc/24/31/80/354243180.db2.gz	RBHRFBAERZSCER-UHFFFAOYSA-N	-1	0	297.311	-0.099	50	0		CBAARM
CCCN1C[C@H](C(=O)NCCCc2nnn[n-]2)CCC1=O	ZINC000426526505	354243301	/nfs/dbraw/zinc/24/33/01/354243301.db2.gz	VAWXZVKKLFYFQL-SNVBAGLBSA-N	-1	0	294.359	-0.103	50	0		CBAARM
CNc1ncccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000426690522	354244130	/nfs/dbraw/zinc/24/41/30/354244130.db2.gz	FIPIQPPMWPHPNK-SVRRBLITSA-N	-1	0	253.258	-0.313	50	0		CBAARM
Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cn1[n-]nnc1=N	ZINC000584902758	355045820	/nfs/dbraw/zinc/04/58/20/355045820.db2.gz	JXTWPPGXRYJFOB-LURJTMIESA-N	-1	0	278.320	-0.687	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000584884772	355041935	/nfs/dbraw/zinc/04/19/35/355041935.db2.gz	HRNHXAHHUUIZRU-MRVPVSSYSA-N	-1	0	276.304	-0.785	50	0		CBAARM
CNC(=O)CN(C)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000621535688	356276474	/nfs/dbraw/zinc/27/64/74/356276474.db2.gz	KDBCYAQPRPBXTL-UHFFFAOYSA-N	-1	0	280.280	-0.032	50	0		CBAARM
CNc1nc(C)cc(C(=O)N=c2[n-]ncn2C2CC2)n1	ZINC000329112042	202192005	/nfs/dbraw/zinc/19/20/05/202192005.db2.gz	KLLQJNNHLQHRAA-UHFFFAOYSA-N	-1	0	273.300	-0.151	50	0		CBAARM
O=C([O-])CCc1cc2n(n1)CCCN(C[C@H](O)CO)C2	ZINC000072410715	304064287	/nfs/dbraw/zinc/06/42/87/304064287.db2.gz	RQAUXCAMIJGTIA-LBPRGKRZSA-N	-1	0	283.328	-0.541	50	0		CBAARM
O=C([O-])CNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000102653863	304068239	/nfs/dbraw/zinc/06/82/39/304068239.db2.gz	IKFSOFKOJBJPCY-OCAPTIKFSA-N	-1	0	268.269	-0.638	50	0		CBAARM
O=C([O-])CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000178189979	304068941	/nfs/dbraw/zinc/06/89/41/304068941.db2.gz	IRLSECNIQSLJLP-CRCLSJGQSA-N	-1	0	268.191	-0.356	50	0		CBAARM
COC(=O)C[C@H](C[P@@](=O)([O-])CN(C)C=O)C(=O)OC	ZINC000001758033	291151524	/nfs/dbraw/zinc/15/15/24/291151524.db2.gz	GIHFEUODVYYAJW-MRVPVSSYSA-N	-1	0	295.228	-0.345	50	0		CBAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000101343275	304099858	/nfs/dbraw/zinc/09/98/58/304099858.db2.gz	SISPNTRQQLNRHH-OPRDCNLKSA-N	-1	0	287.337	-0.043	50	0		CBAARM
CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000299742537	200854080	/nfs/dbraw/zinc/85/40/80/200854080.db2.gz	JYRJSINKSJXEFQ-MRVPVSSYSA-N	-1	0	292.357	-0.363	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000299751500	200857934	/nfs/dbraw/zinc/85/79/34/200857934.db2.gz	QTAFVEPQHNXLKI-RNJXMRFFSA-N	-1	0	263.315	-0.354	50	0		CBAARM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC000262578944	304138469	/nfs/dbraw/zinc/13/84/69/304138469.db2.gz	FDQHVDXPAUWITF-LPEHRKFASA-N	-1	0	287.337	-0.115	50	0		CBAARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)N[C@@H]2NC(=O)N[C@@H]21	ZINC000004029572	304171516	/nfs/dbraw/zinc/17/15/16/304171516.db2.gz	KQWXKPHPXIJLNH-LPEHRKFASA-N	-1	0	290.279	-0.328	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)NCCCCC(=O)[O-]	ZINC000583652309	374362807	/nfs/dbraw/zinc/36/28/07/374362807.db2.gz	MJRMAVAPXFRGMK-UHFFFAOYSA-N	-1	0	285.300	-0.312	50	0		CBAARM
CCOC(=O)c1c[n-]n([C@H]2CCS(=O)(=O)C2)c1=N	ZINC000334159551	206120500	/nfs/dbraw/zinc/12/05/00/206120500.db2.gz	XLLKRMFKLVRSJW-ZETCQYMHSA-N	-1	0	273.314	-0.168	50	0		CBAARM
O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299744170	304185568	/nfs/dbraw/zinc/18/55/68/304185568.db2.gz	NSFVIVAOHQVFAU-WCBMZHEXSA-N	-1	0	292.295	-0.162	50	0		CBAARM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccs1	ZINC000003883205	304202557	/nfs/dbraw/zinc/20/25/57/304202557.db2.gz	GPQQYSLEPAAZBE-RNFRBKRXSA-N	-1	0	277.323	-0.043	50	0		CBAARM
C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])nc1	ZINC000110672859	296262053	/nfs/dbraw/zinc/26/20/53/296262053.db2.gz	RDKHACJUJXYGGG-SSDOTTSWSA-N	-1	0	263.253	-0.260	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000054052263	256853633	/nfs/dbraw/zinc/85/36/33/256853633.db2.gz	PGYXAPOHIYIYIX-SFYZADRCSA-N	-1	0	278.330	-0.658	50	0		CBAARM
C[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-]	ZINC000049548158	256876837	/nfs/dbraw/zinc/87/68/37/256876837.db2.gz	JIRMCWVNTJIWOE-QMMMGPOBSA-N	-1	0	279.296	-0.289	50	0		CBAARM
COCCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000002107306	292354990	/nfs/dbraw/zinc/35/49/90/292354990.db2.gz	GMXUANDJYZKPIU-XHSYRHOGSA-N	-1	0	267.281	-0.111	50	0		CBAARM
COCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000003882385	292355008	/nfs/dbraw/zinc/35/50/08/292355008.db2.gz	GMXUANDJYZKPIU-BSTOTGJRSA-N	-1	0	267.281	-0.111	50	0		CBAARM
O=C([O-])CCNC(=O)Cn1nnc2ccccc2c1=O	ZINC000002237479	169782905	/nfs/dbraw/zinc/78/29/05/169782905.db2.gz	PYNGQTARQIMUSB-UHFFFAOYSA-N	-1	0	276.252	-0.618	50	0		CBAARM
O=CN[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000002556595	169808453	/nfs/dbraw/zinc/80/84/53/169808453.db2.gz	XDBHINYLDNESQY-JTQLQIEISA-N	-1	0	250.254	-0.456	50	0		CBAARM
Cc1cc2c(ncn(CC(=O)NCC(=O)[O-])c2=O)s1	ZINC000004118052	169934975	/nfs/dbraw/zinc/93/49/75/169934975.db2.gz	LWOQHGGNRQSBCL-UHFFFAOYSA-N	-1	0	281.293	-0.033	50	0		CBAARM
O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	ZINC000006423755	170199989	/nfs/dbraw/zinc/19/99/89/170199989.db2.gz	VHXSXLGCRWLSBA-SSDOTTSWSA-N	-1	0	259.287	-0.105	50	0		CBAARM
Cn1c2[nH]c(SCC(=O)[O-])nc2c(=O)n(C)c1=O	ZINC000008581284	170341661	/nfs/dbraw/zinc/34/16/61/170341661.db2.gz	POFPCVGHSQJKRW-UHFFFAOYSA-N	-1	0	270.270	-0.863	50	0		CBAARM
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1	ZINC000013028270	170529602	/nfs/dbraw/zinc/52/96/02/170529602.db2.gz	WHJVNTOKMOUOMI-WPRPVWTQSA-N	-1	0	271.294	-0.105	50	0		CBAARM
Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1C(=O)[O-]	ZINC000013069211	170530148	/nfs/dbraw/zinc/53/01/48/170530148.db2.gz	FKZAJKMODKUTIO-UHFFFAOYSA-N	-1	0	298.320	-0.186	50	0		CBAARM
CSCC[C@@H](NC(=O)CN1CCCC1=O)C(=O)[O-]	ZINC000020258263	171113238	/nfs/dbraw/zinc/11/32/38/171113238.db2.gz	SGHXGYZZIAHCBO-MRVPVSSYSA-N	-1	0	274.342	-0.069	50	0		CBAARM
Cc1nc(CC(=O)NCC(=O)NCC(=O)[O-])cs1	ZINC000035383581	172166744	/nfs/dbraw/zinc/16/67/44/172166744.db2.gz	YTYAHBUUQHCSSP-UHFFFAOYSA-N	-1	0	271.298	-0.689	50	0		CBAARM
Cn1c(SCCC(=O)[O-])nc2c1n(C)c(=O)n(C)c2=O	ZINC000035512185	172243201	/nfs/dbraw/zinc/24/32/01/172243201.db2.gz	QJUYKBIYWLALGX-UHFFFAOYSA-N	-1	0	298.324	-0.463	50	0		CBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)NCCC(=O)[O-]	ZINC000037434078	173204604	/nfs/dbraw/zinc/20/46/04/173204604.db2.gz	GAYUQKRYDOLCHL-ZETCQYMHSA-N	-1	0	264.303	-0.999	50	0		CBAARM
CN1C[C@H](C(=O)N[C@@]2(C(=O)[O-])CCSC2)CC1=O	ZINC000043510194	175060031	/nfs/dbraw/zinc/06/00/31/175060031.db2.gz	NCGYDATZCMMOJO-HQJQHLMTSA-N	-1	0	272.326	-0.459	50	0		CBAARM
CC1(C)NC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O	ZINC000062118415	175663858	/nfs/dbraw/zinc/66/38/58/175663858.db2.gz	DSBPKYPEEBRVTF-ZETCQYMHSA-N	-1	0	283.284	-0.750	50	0		CBAARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)N1CCCC1	ZINC000071405398	176155983	/nfs/dbraw/zinc/15/59/83/176155983.db2.gz	KDGIYQQRAVUHMW-UHFFFAOYSA-N	-1	0	256.287	-0.415	50	0		CBAARM
COCc1nc2c(cnn2C)c(NCc2nnn[n-]2)n1	ZINC000072150913	176326442	/nfs/dbraw/zinc/32/64/42/176326442.db2.gz	QZTIAGFBPCVSPR-UHFFFAOYSA-N	-1	0	275.276	-0.365	50	0		CBAARM
CC(=O)CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1	ZINC000004317510	544417247	/nfs/dbraw/zinc/41/72/47/544417247.db2.gz	JRAFPIONUNVZSX-HZGVNTEJSA-N	-1	0	256.283	-0.453	50	0		CBAARM
O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(c2cccnn2)CC1	ZINC000268913678	544523336	/nfs/dbraw/zinc/52/33/36/544523336.db2.gz	OKWNPCOTOMBPHQ-NXEZZACHSA-N	-1	0	276.296	-0.154	50	0		CBAARM
Nc1nc(=N[N+](=O)[O-])[n-]cc1S(=O)(=O)c1ccccc1	ZINC000040478896	419417977	/nfs/dbraw/zinc/41/79/77/419417977.db2.gz	DRPRNONZNPVSKD-UHFFFAOYSA-N	-1	0	295.280	0.495	50	0		CBAARM
Cn1c([O-])c(C2=NN[C@@H](c3ccncc3)C2)c(=O)[nH]c1=O	ZINC000101763687	419479309	/nfs/dbraw/zinc/47/93/09/419479309.db2.gz	BFPQCXSSAVAOCJ-MRVPVSSYSA-N	-1	0	287.279	-0.387	50	0		CBAARM
Cn1c([O-])c(C(=O)NCc2cccnc2)c(=O)n(C)c1=O	ZINC000101817872	419479688	/nfs/dbraw/zinc/47/96/88/419479688.db2.gz	KOIBGGDCRHUSQG-UHFFFAOYSA-N	-1	0	290.279	-0.636	50	0		CBAARM
O=C([O-])c1ccc(NCC2(CO)CCOCC2)nn1	ZINC000565036461	420440200	/nfs/dbraw/zinc/44/02/00/420440200.db2.gz	URPMHHUBENCGGY-UHFFFAOYSA-N	-1	0	267.285	0.376	50	0		CBAARM
CCCOCC(=O)N1C[C@@H](C(=O)NC)CC[C@H]1C(=O)[O-]	ZINC000685940667	545082914	/nfs/dbraw/zinc/08/29/14/545082914.db2.gz	FIKYJNKLJAUHFN-UWVGGRQHSA-N	-1	0	286.328	-0.149	50	0		CBAARM
CC1(C)[C@H](C(=O)N2CCN(C=O)CC2)[C@@H]1C(=O)[O-]	ZINC000061721649	281464836	/nfs/dbraw/zinc/46/48/36/281464836.db2.gz	LSEFKNREWDEMMY-DTWKUNHWSA-N	-1	0	254.286	-0.356	50	0		CBAARM
CCc1c(C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C	ZINC000020216663	288511782	/nfs/dbraw/zinc/51/17/82/288511782.db2.gz	LQJNQIJNCPMCEZ-UHFFFAOYSA-N	-1	0	263.253	-0.107	50	0		CBAARM
CN1N=C(C(=O)N2CCC[C@H]2C(=O)[O-])CCC1=O	ZINC000036974276	290313587	/nfs/dbraw/zinc/31/35/87/290313587.db2.gz	IMSLHUWQVGQYMI-QMMMGPOBSA-N	-1	0	253.258	-0.330	50	0		CBAARM
C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])S(C)(=O)=O	ZINC000135172618	298023297	/nfs/dbraw/zinc/02/32/97/298023297.db2.gz	OUSDAXIDOJRHRK-SFYZADRCSA-N	-1	0	263.315	-0.115	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000269172005	298206657	/nfs/dbraw/zinc/20/66/57/298206657.db2.gz	HYLUALLKDOCNGP-FUXBKTLASA-N	-1	0	297.311	-0.362	50	0		CBAARM
C[C@H](C(=O)[O-])n1c2c([nH]c1=S)n(C)c(=O)n(C)c2=O	ZINC000000400997	298219479	/nfs/dbraw/zinc/21/94/79/298219479.db2.gz	CCSBKZVWLNCDIC-SCSAIBSYSA-N	-1	0	284.297	-0.258	50	0		CBAARM
Cn1nccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000218976214	303065142	/nfs/dbraw/zinc/06/51/42/303065142.db2.gz	XGJWZYVGVYMAPQ-PSASIEDQSA-N	-1	0	283.284	-0.591	50	0		CBAARM
CC1(C)SC[C@@H](C(=O)NCCCC(=O)[O-])NC1=O	ZINC000534656623	328340093	/nfs/dbraw/zinc/34/00/93/328340093.db2.gz	OJLAGTIZYOHWBW-ZETCQYMHSA-N	-1	0	274.342	-0.022	50	0		CBAARM
O=C([O-])CCC(=O)N[C@H]1COC[C@@H]1N1CCOCC1	ZINC000534663967	328351567	/nfs/dbraw/zinc/35/15/67/328351567.db2.gz	FDPQLXKMIAZCOC-UWVGGRQHSA-N	-1	0	272.301	-0.933	50	0		CBAARM
C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)[C@H]1CC[C@@H](O)CC1	ZINC000426595052	518183946	/nfs/dbraw/zinc/18/39/46/518183946.db2.gz	RDHMGESOQWLAIZ-GARJFASQSA-N	-1	0	298.339	-0.319	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000240825179	526379743	/nfs/dbraw/zinc/37/97/43/526379743.db2.gz	QNUBRHYSSHJWDH-VPOLOUISSA-N	-1	0	269.253	-0.764	50	0		CBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)NC2(C(=O)[O-])CC2)C1	ZINC000203653440	570334872	/nfs/dbraw/zinc/33/48/72/570334872.db2.gz	KPCSFFZJSSSMEX-QMMMGPOBSA-N	-1	0	290.341	-0.609	50	0		CBAARM
CC(C)C[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-]	ZINC000888096937	584483109	/nfs/dbraw/zinc/48/31/09/584483109.db2.gz	SCIVUNCBZAIAOM-SSDOTTSWSA-N	-1	0	278.330	-0.577	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)C1(S(N)(=O)=O)CC1	ZINC000888096678	584483130	/nfs/dbraw/zinc/48/31/30/584483130.db2.gz	HTMXKZFXVHKEEX-UHFFFAOYSA-N	-1	0	264.303	-0.869	50	0		CBAARM
Cc1[nH]nc(S(=O)(=O)NC[C@@H]2CCCO2)c1C(=O)[O-]	ZINC000888104948	584483330	/nfs/dbraw/zinc/48/33/30/584483330.db2.gz	RUQNGCOPDUSPPN-ZETCQYMHSA-N	-1	0	289.313	-0.126	50	0		CBAARM
COCCN(Cc1ccsc1)C(=O)Cn1[n-]nnc1=N	ZINC000952979569	617029443	/nfs/dbraw/zinc/02/94/43/617029443.db2.gz	HKRNNLGUYHMYMI-UHFFFAOYSA-N	-1	0	296.356	-0.178	50	0		CBAARM
CO[C@H](CNC(=O)Cn1[n-]nnc1=N)c1cccs1	ZINC000952981810	617085700	/nfs/dbraw/zinc/08/57/00/617085700.db2.gz	PJDLPZDWEGEFRO-SSDOTTSWSA-N	-1	0	282.329	-0.349	50	0		CBAARM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)N[C@H]2NC(=O)N[C@@H]21	ZINC000251767919	656122344	/nfs/dbraw/zinc/12/23/44/656122344.db2.gz	ICMJHKHITZRDSC-BDVNFPICSA-N	-1	0	256.262	-0.524	50	0		CBAARM
Cc1cc(C)n(CCCN(C)C(=O)Cn2[n-]nnc2=N)n1	ZINC000952965776	658360716	/nfs/dbraw/zinc/36/07/16/658360716.db2.gz	AKLBQCCOXXXRFF-UHFFFAOYSA-N	-1	0	292.347	-0.552	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N(CC1CCC1)C[C@H]1CCCO1	ZINC000952977787	658360930	/nfs/dbraw/zinc/36/09/30/658360930.db2.gz	KXMRKTMPGIQPHH-LLVKDONJSA-N	-1	0	294.359	-0.107	50	0		CBAARM
C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C(=O)[O-]	ZINC000585139528	790635998	/nfs/dbraw/zinc/63/59/98/790635998.db2.gz	PTUSVHHEJCSHMU-OPRDCNLKSA-N	-1	0	267.285	-0.123	50	0		CBAARM
CC(C)(C[N@@H+]1CCO[C@H](C(=O)[O-])C1)N1CCOCC1	ZINC000828488891	790878797	/nfs/dbraw/zinc/87/87/97/790878797.db2.gz	CYLLUROAPYQXKC-NSHDSACASA-N	-1	0	272.345	-0.117	50	0		CBAARM
Cc1cc(C)n(CC(=O)N2CCC[C@H]2C(=O)[O-])c(=O)n1	ZINC000828537510	790879518	/nfs/dbraw/zinc/87/95/18/790879518.db2.gz	PPPQDOAQQGADSL-JTQLQIEISA-N	-1	0	279.296	-0.064	50	0		CBAARM
C[C@@H](Cn1cccn1)C(=O)NCCc1nc(N)cc(=O)[nH]1	ZINC000952871963	790934429	/nfs/dbraw/zinc/93/44/29/790934429.db2.gz	DYNBWRLJAOMWKD-VIFPVBQESA-N	-1	0	290.327	-0.044	50	0		CBAARM
CCN(Cc1nc(C(C)C)no1)C(=O)Cn1[n-]nnc1=N	ZINC001506395081	921575321	/nfs/dbraw/zinc/57/53/21/921575321.db2.gz	BMDVJFQBEXIUAQ-UHFFFAOYSA-N	-1	0	294.319	-0.359	50	0		CBAARM
CC(=O)NC(C)(C)C[C@H](C)N1CCN(CC(=O)[O-])C(=O)C1	ZINC001506400172	921576158	/nfs/dbraw/zinc/57/61/58/921576158.db2.gz	UWRKHDNDIPYKAN-JTQLQIEISA-N	-1	0	299.371	-0.092	50	0		CBAARM
CCCn1cnnc1CNC(=O)N[C@@H](C)C(=O)[O-]	ZINC001506414093	921579213	/nfs/dbraw/zinc/57/92/13/921579213.db2.gz	CBEMARVNVNNXBQ-ZETCQYMHSA-N	-1	0	255.278	-0.040	50	0		CBAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1ncccc1O	ZINC000220564275	230397662	/nfs/dbraw/zinc/39/76/62/230397662.db2.gz	BKDPHRSHNPZYKK-SCZZXKLOSA-N	-1	0	296.279	-0.224	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000378183963	230315030	/nfs/dbraw/zinc/31/50/30/230315030.db2.gz	QTSBWRPPRVEDOS-HTQZYQBOSA-N	-1	0	280.284	-0.306	50	0		CBAARM
NC(=O)CSc1nnnn1-c1cccc(C(=O)[O-])c1	ZINC000000107782	351298176	/nfs/dbraw/zinc/29/81/76/351298176.db2.gz	WUJHBPKAHRXETD-UHFFFAOYSA-N	-1	0	279.281	-0.062	50	0		CBAARM
O=C([O-])C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000000395628	351300248	/nfs/dbraw/zinc/30/02/48/351300248.db2.gz	VNHJXYUDIBQDDX-VHSXEESVSA-N	-1	0	262.265	-0.313	50	0	endogenous,in-man	CBAARM
CN(C[P@@](=O)([O-])CN1CCOCC1)S(C)(=O)=O	ZINC000001058897	351302602	/nfs/dbraw/zinc/30/26/02/351302602.db2.gz	ZPZGQNJUVWUQFT-UHFFFAOYSA-N	-1	0	286.290	-0.605	50	0		CBAARM
NC(=O)C1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000001029092	351302936	/nfs/dbraw/zinc/30/29/36/351302936.db2.gz	ZRDXIBHPHNVQPN-UHFFFAOYSA-N	-1	0	278.268	-0.488	50	0		CBAARM
O=C(NCCO)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000002114864	351306502	/nfs/dbraw/zinc/30/65/02/351306502.db2.gz	JRLYPQUEAVPTBM-UHFFFAOYSA-N	-1	0	274.276	-0.015	50	0		CBAARM
C[C@H](NC(=O)[C@H](C)n1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000002205070	351307688	/nfs/dbraw/zinc/30/76/88/351307688.db2.gz	WDFUJPVLSHMSLI-YUMQZZPRSA-N	-1	0	290.279	-0.058	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000002362846	351308043	/nfs/dbraw/zinc/30/80/43/351308043.db2.gz	NPUMZYDAABFWRG-UHFFFAOYSA-N	-1	0	272.238	-0.516	50	0		CBAARM
C[C@@H](C(=O)NCC(=O)[O-])n1nnc2ccccc2c1=O	ZINC000002432783	351309218	/nfs/dbraw/zinc/30/92/18/351309218.db2.gz	CRROQEWTKDMIDS-ZETCQYMHSA-N	-1	0	276.252	-0.447	50	0		CBAARM
O=C([O-])c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000012778442	351335363	/nfs/dbraw/zinc/33/53/63/351335363.db2.gz	DUNOHUAXGDZSLY-UHFFFAOYSA-N	-1	0	284.293	-0.495	50	0		CBAARM
CCOC(=O)[C@@H](CC(=O)[O-])c1c(C)n(C)c(=O)n(C)c1=O	ZINC000003844361	351314007	/nfs/dbraw/zinc/31/40/07/351314007.db2.gz	WZFOZLIHFYMZNK-QMMMGPOBSA-N	-1	0	298.295	-0.486	50	0		CBAARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000005587198	351324241	/nfs/dbraw/zinc/32/42/41/351324241.db2.gz	WOQRPBXJCRJRBC-UOAXWKJLSA-N	-1	0	283.280	-0.376	50	0		CBAARM
Nc1nc(N=Nc2ccc(O)c(C(=O)[O-])c2)[nH]c1N	ZINC000005749572	351324497	/nfs/dbraw/zinc/32/44/97/351324497.db2.gz	WXRFFQZMUZWPIG-UHFFFAOYSA-N	-1	0	262.229	-0.079	50	0		CBAARM
O=C([O-])[C@H]1CS(=O)(=O)CN1C(=O)c1ccco1	ZINC000026421477	351365353	/nfs/dbraw/zinc/36/53/53/351365353.db2.gz	LVPPZINTABBQKW-ZCFIWIBFSA-N	-1	0	259.239	-0.439	50	0		CBAARM
COCCN1C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC1=O	ZINC000033439348	351383224	/nfs/dbraw/zinc/38/32/24/351383224.db2.gz	CRGZHWJNDAPAEH-YUMQZZPRSA-N	-1	0	258.274	-0.929	50	0		CBAARM
C[C@@H]1CN(Cc2nnnn2CC(=O)[O-])C[C@@H](C)O1	ZINC000034925455	351384919	/nfs/dbraw/zinc/38/49/19/351384919.db2.gz	MKUVHPKTZNXZGP-HTQZYQBOSA-N	-1	0	255.278	-0.633	50	0		CBAARM
CCCS(=O)(=O)[N-]C(C(=O)OCC)C(=O)OCC	ZINC000036818284	351393678	/nfs/dbraw/zinc/39/36/78/351393678.db2.gz	KQEABMSGWGDBOS-UHFFFAOYSA-N	-1	0	281.330	-0.189	50	0		CBAARM
Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1=O	ZINC000036974855	351395761	/nfs/dbraw/zinc/39/57/61/351395761.db2.gz	LKBRVGFMVXGBDX-SECBINFHSA-N	-1	0	295.295	-0.987	50	0		CBAARM
CC[C@@H](C)N(CC(=O)[O-])C(=O)CN1C(=O)CNC1=O	ZINC000037590552	351399803	/nfs/dbraw/zinc/39/98/03/351399803.db2.gz	URSFBDBASUKRMW-SSDOTTSWSA-N	-1	0	271.273	-0.750	50	0		CBAARM
CCCOC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000013543995	351337227	/nfs/dbraw/zinc/33/72/27/351337227.db2.gz	SVUJGTODIDAELQ-RXMQYKEDSA-N	-1	0	259.287	-0.108	50	0		CBAARM
NS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000037791715	351404011	/nfs/dbraw/zinc/40/40/11/351404011.db2.gz	GYWJHVZCWRLPBE-RKDXNWHRSA-N	-1	0	284.293	-0.007	50	0		CBAARM
C[C@@H](CN(C)C(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000042696334	351436276	/nfs/dbraw/zinc/43/62/76/351436276.db2.gz	ZBEVTJPFRGLQLQ-ZETCQYMHSA-N	-1	0	260.315	-0.302	50	0		CBAARM
CC(C)N1C[C@@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O	ZINC000043701868	351442761	/nfs/dbraw/zinc/44/27/61/351442761.db2.gz	LVTKLGDDIAWIMJ-VHSXEESVSA-N	-1	0	284.312	-0.445	50	0		CBAARM
COCCN1C[C@@H](C(=O)N(C)CCC(=O)[O-])CC1=O	ZINC000037932026	351411118	/nfs/dbraw/zinc/41/11/18/351411118.db2.gz	NZSGQDUMBQOJGG-VIFPVBQESA-N	-1	0	272.301	-0.586	50	0		CBAARM
CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC000039346636	351413617	/nfs/dbraw/zinc/41/36/17/351413617.db2.gz	JRVRHJSMHHKUKE-KOLCDFICSA-N	-1	0	251.238	-0.181	50	0		CBAARM
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCO	ZINC000049545956	351494584	/nfs/dbraw/zinc/49/45/84/351494584.db2.gz	BRUSDGAMNQHUAD-UHFFFAOYSA-N	-1	0	266.253	-0.260	50	0		CBAARM
Cn1c2nc3scc(CC(=O)[O-])n3c2c(=O)n(C)c1=O	ZINC000048546579	351473894	/nfs/dbraw/zinc/47/38/94/351473894.db2.gz	NUMGVYUYIVABHX-UHFFFAOYSA-N	-1	0	294.292	-0.427	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000054052690	351530913	/nfs/dbraw/zinc/53/09/13/351530913.db2.gz	HVZZZMSFQUSTTE-DTWKUNHWSA-N	-1	0	292.357	-0.411	50	0		CBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062118677	351574844	/nfs/dbraw/zinc/57/48/44/351574844.db2.gz	NKFSOCVGIRVSQI-DTWKUNHWSA-N	-1	0	290.341	-0.657	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)N(CCNC(=O)c2ccncc2)C1	ZINC000065374192	351588383	/nfs/dbraw/zinc/58/83/83/351588383.db2.gz	RXLLSKXDMGLNLR-JTQLQIEISA-N	-1	0	277.280	-0.256	50	0		CBAARM
C[C@@H](c1n[nH]c(=O)n1CCC(=O)[O-])N1CCOCC1	ZINC000065394770	351589127	/nfs/dbraw/zinc/58/91/27/351589127.db2.gz	ADNPLXJCOCDHAZ-QMMMGPOBSA-N	-1	0	270.289	-0.561	50	0		CBAARM
Cc1cc(C)n(CCN2C[C@@H](C(=O)[O-])CC2=O)c(=O)n1	ZINC000065425113	351589997	/nfs/dbraw/zinc/58/99/97/351589997.db2.gz	MZIMCXJCKDKSQL-JTQLQIEISA-N	-1	0	279.296	-0.207	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)N(CCN2CCCOC2=O)C1	ZINC000065436053	351590009	/nfs/dbraw/zinc/59/00/09/351590009.db2.gz	QMCBECYNNXKAEK-MRVPVSSYSA-N	-1	0	256.258	-0.238	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)N(CCC(=O)N2CCCC2)C1	ZINC000065435743	351590179	/nfs/dbraw/zinc/59/01/79/351590179.db2.gz	NAILOLWQDBYLDC-VIFPVBQESA-N	-1	0	254.286	-0.068	50	0		CBAARM
COc1ccc(-n2c(Cc3nnn[n-]3)n[nH]c2=O)c(C)c1	ZINC000065405021	351590263	/nfs/dbraw/zinc/59/02/63/351590263.db2.gz	OUHNYULCDHWTRR-UHFFFAOYSA-N	-1	0	287.283	-0.018	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)N(CCC(=O)N2CCCC2)C1	ZINC000065435741	351590550	/nfs/dbraw/zinc/59/05/50/351590550.db2.gz	NAILOLWQDBYLDC-SECBINFHSA-N	-1	0	254.286	-0.068	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)N(CCN2CCCOC2=O)C1	ZINC000065436055	351590592	/nfs/dbraw/zinc/59/05/92/351590592.db2.gz	QMCBECYNNXKAEK-QMMMGPOBSA-N	-1	0	256.258	-0.238	50	0		CBAARM
COc1ncccc1NC(=O)Cn1[n-]c(=O)ccc1=O	ZINC000065610519	351592582	/nfs/dbraw/zinc/59/25/82/351592582.db2.gz	VRKRDKBBIJRMNZ-UHFFFAOYSA-N	-1	0	276.252	-0.421	50	0		CBAARM
CN(CC(N)=O)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000070157443	351636064	/nfs/dbraw/zinc/63/60/64/351636064.db2.gz	JLZXVPUPQIESFL-UHFFFAOYSA-N	-1	0	278.311	-0.448	50	0		CBAARM
CC(C)(C)OC(=O)N[C@H](Cn1cc(C(=O)[O-])nn1)C(N)=O	ZINC000072233669	351645462	/nfs/dbraw/zinc/64/54/62/351645462.db2.gz	MADKUZZOZRQWIU-ZCFIWIBFSA-N	-1	0	299.287	-0.645	50	0		CBAARM
Cn1cc(C(N)=O)c([N-]S(=O)(=O)N2CCCCC2)n1	ZINC000089749822	351732838	/nfs/dbraw/zinc/73/28/38/351732838.db2.gz	SHQGNSFHFPIJNX-UHFFFAOYSA-N	-1	0	287.345	-0.338	50	0		CBAARM
CN1C[C@H](C(=O)NCc2nnn[n-]2)Oc2ccccc21	ZINC000097076839	351776007	/nfs/dbraw/zinc/77/60/07/351776007.db2.gz	XZNATAITTKPNLU-SNVBAGLBSA-N	-1	0	274.284	-0.287	50	0		CBAARM
O=C([O-])Cn1nc(C2CCOCC2)nc1[C@@H]1CNC(=O)C1	ZINC000097696311	351779577	/nfs/dbraw/zinc/77/95/77/351779577.db2.gz	UFCACLHPRKGVRL-VIFPVBQESA-N	-1	0	294.311	-0.140	50	0		CBAARM
CCCc1cc(=O)n2nc(C(=O)N3CCOCC3)[n-]c2n1	ZINC000100486584	351780889	/nfs/dbraw/zinc/78/08/89/351780889.db2.gz	GYTZABYSYRBSDE-UHFFFAOYSA-N	-1	0	291.311	-0.158	50	0		CBAARM
Cc1nnc(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)s1	ZINC000094993117	351764985	/nfs/dbraw/zinc/76/49/85/351764985.db2.gz	DBKJRDQSFFJCRW-UHFFFAOYSA-N	-1	0	282.285	-0.398	50	0		CBAARM
Cc1nonc1CC(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-]	ZINC000096152069	351773030	/nfs/dbraw/zinc/77/30/30/351773030.db2.gz	AOUKVZLZJOZVPE-SNVBAGLBSA-N	-1	0	291.267	-0.318	50	0		CBAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1	ZINC000123018991	187066096	/nfs/dbraw/zinc/06/60/96/187066096.db2.gz	UFMPJSUWIKGOBG-MNOVXSKESA-N	-1	0	276.292	-0.065	50	0		CBAARM
C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])S(C)(=O)=O	ZINC000135172558	351912200	/nfs/dbraw/zinc/91/22/00/351912200.db2.gz	OUSDAXIDOJRHRK-JGVFFNPUSA-N	-1	0	263.315	-0.115	50	0		CBAARM
O=C([O-])C[C@@H]1COCCN1C(=O)Cn1ccnc1	ZINC000218691958	352236107	/nfs/dbraw/zinc/23/61/07/352236107.db2.gz	PAMQQOYCUMJUJI-SECBINFHSA-N	-1	0	253.258	-0.415	50	0		CBAARM
O=C(CCc1cc(=O)[n-]o1)N[C@@H]1CCOC[C@H]1O	ZINC000219203286	352236932	/nfs/dbraw/zinc/23/69/32/352236932.db2.gz	MWOWAPSZEDKQSE-RKDXNWHRSA-N	-1	0	256.258	-0.421	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000240825178	352316364	/nfs/dbraw/zinc/31/63/64/352316364.db2.gz	QNUBRHYSSHJWDH-LMLFDSFASA-N	-1	0	269.253	-0.764	50	0		CBAARM
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262915260	352436553	/nfs/dbraw/zinc/43/65/53/352436553.db2.gz	DGDCKOJIIJBXDG-HBNTYKKESA-N	-1	0	287.312	-0.118	50	0		CBAARM
CS(=O)(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1	ZINC000299792384	352729668	/nfs/dbraw/zinc/72/96/68/352729668.db2.gz	FOTXHQKPUQAGDH-NKWVEPMBSA-N	-1	0	274.302	-0.746	50	0		CBAARM
CC(=O)N1CCCC[C@@H]1C(=O)NCc1nnn[n-]1	ZINC000299802198	352731242	/nfs/dbraw/zinc/73/12/42/352731242.db2.gz	ZAFVVXPNCOILPG-MRVPVSSYSA-N	-1	0	252.278	-0.783	50	0		CBAARM
NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1	ZINC000032628993	303345170	/nfs/dbraw/zinc/34/51/70/303345170.db2.gz	JJUHFYRMQKNGEB-LURJTMIESA-N	-1	0	288.281	-0.384	50	0		CBAARM
CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000340452792	353170127	/nfs/dbraw/zinc/17/01/27/353170127.db2.gz	TWZMMDHMWWSHOH-UHFFFAOYSA-N	-1	0	293.322	-0.547	50	0		CBAARM
O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)O1	ZINC000262269970	137712885	/nfs/dbraw/zinc/71/28/85/137712885.db2.gz	GPLCIJGTGBUVRO-FKTZTGRPSA-N	-1	0	282.296	-0.502	50	0		CBAARM
Cn1nnnc1-c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000390834921	353791888	/nfs/dbraw/zinc/79/18/88/353791888.db2.gz	RPMYRVBKBIJHSK-UHFFFAOYSA-N	-1	0	261.241	-0.309	50	0		CBAARM
Cc1nnnn1CC(=O)N[C@H](CC(=O)[O-])CC(C)C	ZINC000426436577	354241927	/nfs/dbraw/zinc/24/19/27/354241927.db2.gz	ORPNXOYUDOXSSG-VIFPVBQESA-N	-1	0	269.305	-0.013	50	0		CBAARM
COCC1(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@H]2C)CCC1	ZINC000426715813	354244085	/nfs/dbraw/zinc/24/40/85/354244085.db2.gz	COHCESSAXAQCSL-SNVBAGLBSA-N	-1	0	298.339	-0.053	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)c1cnn2cccnc12	ZINC000262540636	137720761	/nfs/dbraw/zinc/72/07/61/137720761.db2.gz	UYDNOQVCQUCMBB-VIFPVBQESA-N	-1	0	276.252	-0.345	50	0		CBAARM
CO[C@@H]1[C@@H](C)O[C@@H](C)[C@@H](OS(=O)(=O)[O-])[C@H]1O	ZINC000575631103	354937823	/nfs/dbraw/zinc/93/78/23/354937823.db2.gz	WZPKXSSMRAQGAC-DWOUCZDBSA-N	-1	0	256.276	-0.643	50	0	in-vitro	CBAARM
CCCC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)[O-]	ZINC000585138608	355046851	/nfs/dbraw/zinc/04/68/51/355046851.db2.gz	NHXYTGQDSLTITQ-BQBZGAKWSA-N	-1	0	271.273	-0.656	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000299747604	283107644	/nfs/dbraw/zinc/10/76/44/283107644.db2.gz	DJLNCDMNBJFUKY-UHFFFAOYSA-N	-1	0	285.300	-0.360	50	0		CBAARM
O=C([O-])COCC(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000006810083	304070135	/nfs/dbraw/zinc/07/01/35/304070135.db2.gz	YWEXZWWTFGYKQZ-UHFFFAOYSA-N	-1	0	277.240	-0.094	50	0		CBAARM
CCC[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000036836972	283542228	/nfs/dbraw/zinc/54/22/28/283542228.db2.gz	YTJQBRYVEQOQGA-BDAKNGLRSA-N	-1	0	292.357	-0.220	50	0		CBAARM
CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000037652817	284218327	/nfs/dbraw/zinc/21/83/27/284218327.db2.gz	DGKGSOPKJPITIL-YIZRAAEISA-N	-1	0	275.326	-0.257	50	0		CBAARM
O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299744166	304185336	/nfs/dbraw/zinc/18/53/36/304185336.db2.gz	NSFVIVAOHQVFAU-PSASIEDQSA-N	-1	0	292.295	-0.162	50	0		CBAARM
NC(=O)[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000261711010	190042743	/nfs/dbraw/zinc/04/27/43/190042743.db2.gz	DNUMIYUUCVFRQJ-JTQLQIEISA-N	-1	0	278.264	-0.289	50	0		CBAARM
C[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-]	ZINC000262726961	190061846	/nfs/dbraw/zinc/06/18/46/190061846.db2.gz	ZQVHOWHTHIWBDS-ZETCQYMHSA-N	-1	0	285.300	-0.314	50	0		CBAARM
Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000000262023	169590301	/nfs/dbraw/zinc/59/03/01/169590301.db2.gz	SBKRCXFSPMKXAU-VIFPVBQESA-N	-1	0	259.283	-0.281	50	0	in-vitro	CBAARM
Cn1c2nc(N3CCCC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000000409554	169633580	/nfs/dbraw/zinc/63/35/80/169633580.db2.gz	XVEZBWDUNWKEDX-UHFFFAOYSA-N	-1	0	293.283	-0.892	50	0		CBAARM
CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)CC1	ZINC000426408914	220579414	/nfs/dbraw/zinc/57/94/14/220579414.db2.gz	IHQBZXJBAOKYDN-QMMMGPOBSA-N	-1	0	297.311	-0.312	50	0		CBAARM
CC(C)[C@@H](NC(=O)c1cccc2nnnn21)C(=O)[O-]	ZINC000426503979	220582288	/nfs/dbraw/zinc/58/22/88/220582288.db2.gz	JNUHAUNTVNYFCF-SECBINFHSA-N	-1	0	263.257	-0.037	50	0		CBAARM
O=C([O-])c1ccccc1S(=O)(=O)N1CCNCC1	ZINC000040447882	304271328	/nfs/dbraw/zinc/27/13/28/304271328.db2.gz	CHTBWKZGYHGAFP-UHFFFAOYSA-N	-1	0	270.310	-0.021	50	0		CBAARM
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000262381972	299612323	/nfs/dbraw/zinc/61/23/23/299612323.db2.gz	IORNWWZUNCEIQP-RYPBNFRJSA-N	-1	0	277.342	-0.013	50	0		CBAARM
NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000003888756	134644873	/nfs/dbraw/zinc/64/48/73/134644873.db2.gz	DMFZVEPUUJLDTA-UHFFFAOYSA-N	-1	0	286.309	-0.131	50	0		CBAARM
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O	ZINC000071792687	292544873	/nfs/dbraw/zinc/54/48/73/292544873.db2.gz	WXTPPDPYUDOHOC-JDVQERKKSA-N	-1	0	253.254	-0.501	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)N(CCCN2CCOCC2)C1	ZINC000004992692	170051319	/nfs/dbraw/zinc/05/13/19/170051319.db2.gz	JKSUFEIQXUHPSY-JTQLQIEISA-N	-1	0	256.302	-0.358	50	0		CBAARM
Cn1cnc2c1c(=O)n(CCCC(=O)[O-])c(=O)n2C	ZINC000005116754	170067482	/nfs/dbraw/zinc/06/74/82/170067482.db2.gz	WKASGTGXOGALBG-UHFFFAOYSA-N	-1	0	266.257	-0.702	50	0	in-vitro	CBAARM
NS(=O)(=O)c1ccc(CCNC(=O)/C=C/C(=O)[O-])cc1	ZINC000006316616	170190703	/nfs/dbraw/zinc/19/07/03/170190703.db2.gz	JANQTFLUAWGHLA-AATRIKPKSA-N	-1	0	298.320	-0.367	50	0		CBAARM
Cn1ncc(C(=O)[O-])c1C(=O)N1CCC(C(N)=O)CC1	ZINC000012357929	170478713	/nfs/dbraw/zinc/47/87/13/170478713.db2.gz	OJPJSECJLKXBDL-UHFFFAOYSA-N	-1	0	280.284	-0.544	50	0		CBAARM
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCO1	ZINC000021964365	171342919	/nfs/dbraw/zinc/34/29/19/171342919.db2.gz	SBNMWDWPNCBSRV-IUCAKERBSA-N	-1	0	253.258	-0.299	50	0		CBAARM
O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1	ZINC000021962949	171343139	/nfs/dbraw/zinc/34/31/39/171343139.db2.gz	WHJVNTOKMOUOMI-WCBMZHEXSA-N	-1	0	271.294	-0.105	50	0		CBAARM
C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000022149670	171358119	/nfs/dbraw/zinc/35/81/19/171358119.db2.gz	XCBFVCXWXPSUMC-CAHLUQPWSA-N	-1	0	265.312	-0.140	50	0		CBAARM
C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000022149666	171358124	/nfs/dbraw/zinc/35/81/24/171358124.db2.gz	XCBFVCXWXPSUMC-IYSWYEEDSA-N	-1	0	265.312	-0.140	50	0		CBAARM
COCCN1C[C@@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1=O	ZINC000033442072	171802053	/nfs/dbraw/zinc/80/20/53/171802053.db2.gz	RWQSMRHEJGPGDN-UWVGGRQHSA-N	-1	0	284.312	-0.443	50	0		CBAARM
CC[C@H](NC(=O)c1c(C)c(C)n[nH]c1=O)C(=O)[O-]	ZINC000035409512	172180168	/nfs/dbraw/zinc/18/01/68/172180168.db2.gz	VXRSIFJFQMWXSI-ZETCQYMHSA-N	-1	0	253.258	-0.020	50	0		CBAARM
O=C([O-])CCNC(=O)c1cnc2sccn2c1=O	ZINC000037433926	173204389	/nfs/dbraw/zinc/20/43/89/173204389.db2.gz	CIDSVXJQMJPNAZ-UHFFFAOYSA-N	-1	0	267.266	-0.040	50	0		CBAARM
CN1C[C@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)CC1=O	ZINC000043510189	175059975	/nfs/dbraw/zinc/05/99/75/175059975.db2.gz	NCGYDATZCMMOJO-RDDDGLTNSA-N	-1	0	272.326	-0.459	50	0		CBAARM
CCN1C[C@@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O	ZINC000043701886	175098157	/nfs/dbraw/zinc/09/81/57/175098157.db2.gz	RKUVVFFRTIZZPZ-IUCAKERBSA-N	-1	0	270.285	-0.833	50	0		CBAARM
O=C([O-])[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1	ZINC000062118569	175664031	/nfs/dbraw/zinc/66/40/31/175664031.db2.gz	BZACDDNXIOLWAO-VIFPVBQESA-N	-1	0	290.279	-0.571	50	0		CBAARM
O=C([O-])C[C@H]1COCCN1C(=O)CCCn1cncn1	ZINC000072156975	176328359	/nfs/dbraw/zinc/32/83/59/176328359.db2.gz	FSEDFZCAYRZWCZ-JTQLQIEISA-N	-1	0	282.300	-0.240	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCCN1CCOCC1	ZINC000072406477	176397910	/nfs/dbraw/zinc/39/79/10/176397910.db2.gz	RIKKLPDKTQJXPU-UWVGGRQHSA-N	-1	0	270.329	-0.208	50	0		CBAARM
Cn1cc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)cn1	ZINC000084317335	544430626	/nfs/dbraw/zinc/43/06/26/544430626.db2.gz	QGXLWVANBRVAHC-UHFFFAOYSA-N	-1	0	268.660	-0.194	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cc1cccnc1	ZINC000088374475	544434628	/nfs/dbraw/zinc/43/46/28/544434628.db2.gz	JQGWGMVTPJFGGE-JTQLQIEISA-N	-1	0	250.254	-0.064	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)Cc1cccnc1	ZINC000088374473	544434890	/nfs/dbraw/zinc/43/48/90/544434890.db2.gz	JQGWGMVTPJFGGE-SNVBAGLBSA-N	-1	0	250.254	-0.064	50	0		CBAARM
C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-]	ZINC000262404729	544522566	/nfs/dbraw/zinc/52/25/66/544522566.db2.gz	AZBWBYLVAMHDOH-SSDOTTSWSA-N	-1	0	286.309	-0.322	50	0		CBAARM
CC1=NN(c2ccccc2)C(=O)[C@@]1(O)S(=O)(=O)[O-]	ZINC000004545049	419407534	/nfs/dbraw/zinc/40/75/34/419407534.db2.gz	GFUNHOJTYIXWDD-JTQLQIEISA-N	-1	0	270.266	-0.015	50	0		CBAARM
CCc1nn2c([n-]1)nc(C[C@@H]1CCS(=O)(=O)C1)cc2=O	ZINC000101872208	419479943	/nfs/dbraw/zinc/47/99/43/419479943.db2.gz	UJTBMMBDHCAPQP-QMMMGPOBSA-N	-1	0	296.352	-0.043	50	0		CBAARM
O=C([O-])CC[C@@H]1CCCN1S(=O)(=O)N1CCOCC1	ZINC000394039183	544579830	/nfs/dbraw/zinc/57/98/30/544579830.db2.gz	OFIKQZIGAMRQKQ-JTQLQIEISA-N	-1	0	292.357	-0.107	50	0		CBAARM
Cc1nc(C)c(CC(=O)NCCCc2nnn[n-]2)c(=O)[nH]1	ZINC000670450025	544793728	/nfs/dbraw/zinc/79/37/28/544793728.db2.gz	YOFTXLLPKLPDDB-UHFFFAOYSA-N	-1	0	291.315	-0.396	50	0		CBAARM
O=C(c1cc(=O)[n-]o1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1	ZINC000299779851	304503041	/nfs/dbraw/zinc/50/30/41/304503041.db2.gz	LGJOJDUWPJWVPK-IUCAKERBSA-N	-1	0	291.267	-0.042	50	0		CBAARM
CC(C)(C)OC(=O)N1CCN2[C@@H](C1)C(=O)[N-]S2(=O)=O	ZINC000065337376	278400583	/nfs/dbraw/zinc/40/05/83/278400583.db2.gz	IQYUMMQGKQJXIB-ZETCQYMHSA-N	-1	0	291.329	-0.718	50	0		CBAARM
CC1(C)CNC(=O)c2[nH]c(-c3n[nH]c(=O)[n-]3)nc2C1	ZINC000067688798	281278681	/nfs/dbraw/zinc/27/86/81/281278681.db2.gz	QWNDTVMARBYARP-UHFFFAOYSA-N	-1	0	262.273	-0.200	50	0		CBAARM
Nc1nc(N2CCOCC2)[n-]c(=O)c1Br	ZINC000040175481	295368467	/nfs/dbraw/zinc/36/84/67/295368467.db2.gz	PHXUMMWOVHMZPK-UHFFFAOYSA-N	-1	0	275.106	-0.049	50	0		CBAARM
C[C@H]1CN(C(=O)Cn2[n-]c(=O)ccc2=O)[C@@H](C)CO1	ZINC000069453641	300132319	/nfs/dbraw/zinc/13/23/19/300132319.db2.gz	AMDHEUMMTDVUMW-IUCAKERBSA-N	-1	0	267.285	-0.828	50	0		CBAARM
Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])nn1C	ZINC000257700396	301106445	/nfs/dbraw/zinc/10/64/45/301106445.db2.gz	OJGDBQNDQRTYRY-VIFPVBQESA-N	-1	0	253.258	-0.346	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000269093734	330067900	/nfs/dbraw/zinc/06/79/00/330067900.db2.gz	XJCXQOOSVKPHPQ-ZDUSSCGKSA-N	-1	0	297.311	-0.360	50	0		CBAARM
CCOC([O-])=NC(=O)N=c1[nH]o[n+]([O-])c1C(=O)OC	ZINC000001423666	529023625	/nfs/dbraw/zinc/02/36/25/529023625.db2.gz	RYXLJVBRVQFTKR-UHFFFAOYSA-N	-1	0	274.189	-0.627	50	0		CBAARM
CC1=C(C(=O)N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)OCCO1	ZINC000952985759	614956746	/nfs/dbraw/zinc/95/67/46/614956746.db2.gz	DKGVSJKMPVRPJK-ZCFIWIBFSA-N	-1	0	296.283	-0.113	50	0		CBAARM
COCC(=O)NCc1cc2n(n1)CCN(CC(=O)[O-])C2	ZINC000299761342	656138330	/nfs/dbraw/zinc/13/83/30/656138330.db2.gz	JRDAADBDVICZSG-UHFFFAOYSA-N	-1	0	282.300	-0.954	50	0		CBAARM
Cc1nonc1CC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-]	ZINC000072439925	790353783	/nfs/dbraw/zinc/35/37/83/790353783.db2.gz	OCWHZWVMCNCDIN-LLVKDONJSA-N	-1	0	291.267	-0.146	50	0		CBAARM
NCC(=O)[N-]S(=O)(=O)CC(=O)c1ccccc1	ZINC000725376667	790819942	/nfs/dbraw/zinc/81/99/42/790819942.db2.gz	XCXAUDKASJQFDW-UHFFFAOYSA-N	-1	0	256.283	-0.726	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCc1ccc2c(c1)OCO2	ZINC000827864056	790872310	/nfs/dbraw/zinc/87/23/10/790872310.db2.gz	LZOQAFBKMVCDBF-UHFFFAOYSA-N	-1	0	276.256	-0.869	50	0		CBAARM
O=C(CN1CCOCC1)NC1(C(=O)[O-])CCOCC1	ZINC000828004460	790873189	/nfs/dbraw/zinc/87/31/89/790873189.db2.gz	FIIXJCJCYBQCMC-UHFFFAOYSA-N	-1	0	272.301	-0.931	50	0		CBAARM
CN1C[C@@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O	ZINC000091293474	180124619	/nfs/dbraw/zinc/12/46/19/180124619.db2.gz	JJDAPWWXULEUGL-DTWKUNHWSA-N	-1	0	270.285	-0.833	50	0		CBAARM
O=C([O-])COCC(=O)N1CCN(c2ncccn2)CC1	ZINC000000157786	351299497	/nfs/dbraw/zinc/29/94/97/351299497.db2.gz	VBWJRZSBJYPMAV-UHFFFAOYSA-N	-1	0	280.284	-0.774	50	0		CBAARM
C[C@@H](C(=O)[O-])n1c2c([nH]c1=S)n(C)c(=O)n(C)c2=O	ZINC000000400996	351300498	/nfs/dbraw/zinc/30/04/98/351300498.db2.gz	CCSBKZVWLNCDIC-BYPYZUCNSA-N	-1	0	284.297	-0.258	50	0		CBAARM
Cc1cc(-c2c([O-])n(C)c(=O)n(C)c2=O)n(C)n1	ZINC000001402364	351302366	/nfs/dbraw/zinc/30/23/66/351302366.db2.gz	GYLIQRAUEXFVOB-UHFFFAOYSA-N	-1	0	250.258	-0.501	50	0		CBAARM
CC(C)NC(=O)CN1CCN(C(=O)CCC(=O)[O-])CC1	ZINC000001443501	351302680	/nfs/dbraw/zinc/30/26/80/351302680.db2.gz	NFTBAYRTAOAGRR-UHFFFAOYSA-N	-1	0	285.344	-0.480	50	0		CBAARM
NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000001985799	351306462	/nfs/dbraw/zinc/30/64/62/351306462.db2.gz	PQTYDOPYQOAELL-ZETCQYMHSA-N	-1	0	284.293	-0.229	50	0		CBAARM
O=C([O-])CNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O	ZINC000002196688	351307668	/nfs/dbraw/zinc/30/76/68/351307668.db2.gz	IKTMWIGPRUDXMO-UHFFFAOYSA-N	-1	0	291.263	-0.719	50	0		CBAARM
O=C([O-])CNC(=O)CCCn1nnc2ccccc2c1=O	ZINC000002241847	351307748	/nfs/dbraw/zinc/30/77/48/351307748.db2.gz	OTEICTHGRAIPPX-UHFFFAOYSA-N	-1	0	290.279	-0.228	50	0		CBAARM
O=C([O-])CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000002196117	351308203	/nfs/dbraw/zinc/30/82/03/351308203.db2.gz	ZGMWPFHMWCYFOO-UHFFFAOYSA-N	-1	0	286.265	-0.126	50	0		CBAARM
COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000002479808	351308935	/nfs/dbraw/zinc/30/89/35/351308935.db2.gz	XRKMSYJHCXTPKW-SECBINFHSA-N	-1	0	275.282	-0.581	50	0		CBAARM
O=C([O-])CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000002556706	351309531	/nfs/dbraw/zinc/30/95/31/351309531.db2.gz	OACXHDNMVYUDOE-JTQLQIEISA-N	-1	0	296.279	-0.526	50	0		CBAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@H]2SC1	ZINC000004294770	351317942	/nfs/dbraw/zinc/31/79/42/351317942.db2.gz	HSHGZXNAXBPPDL-IMTBSYHQSA-N	-1	0	272.282	-0.869	50	0		CBAARM
O=C([O-])CONC1=NS(=O)(=O)c2ccccc21	ZINC000004206770	351318009	/nfs/dbraw/zinc/31/80/09/351318009.db2.gz	NHCWWINDGLZRJV-UHFFFAOYSA-N	-1	0	256.239	-0.259	50	0		CBAARM
COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O	ZINC000013465095	351336295	/nfs/dbraw/zinc/33/62/95/351336295.db2.gz	WXTPPDPYUDOHOC-MFYTUXHUSA-N	-1	0	253.254	-0.501	50	0		CBAARM
O=C([O-])c1cccnc1N1CCN(CCO)CC1	ZINC000026466233	351366710	/nfs/dbraw/zinc/36/67/10/351366710.db2.gz	CQRGFILLDOIDOS-UHFFFAOYSA-N	-1	0	251.286	-0.106	50	0		CBAARM
O=C([O-])[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O	ZINC000036974865	351395628	/nfs/dbraw/zinc/39/56/28/351395628.db2.gz	KMPHVVTWCWRTKO-QMMMGPOBSA-N	-1	0	281.268	-0.998	50	0		CBAARM
COc1ccccc1NC(=O)Cc1nc(=O)[n-]c(=O)[nH]1	ZINC000017122393	351346940	/nfs/dbraw/zinc/34/69/40/351346940.db2.gz	WZQRSZBDOYBYFK-UHFFFAOYSA-N	-1	0	276.252	-0.352	50	0		CBAARM
Cc1cc(=O)n2nc(C(=O)N3CCOCC3)[n-]c2n1	ZINC000018221987	351348294	/nfs/dbraw/zinc/34/82/94/351348294.db2.gz	OZZGRUBOOAACAM-UHFFFAOYSA-N	-1	0	263.257	-0.389	50	0		CBAARM
O=P([O-])(CN1CCOCC1)CN1CCOCC1	ZINC000019300309	351349303	/nfs/dbraw/zinc/34/93/03/351349303.db2.gz	ABVDMDORQNGCFO-UHFFFAOYSA-N	-1	0	264.262	-0.164	50	0		CBAARM
NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC000019406255	351349560	/nfs/dbraw/zinc/34/95/60/351349560.db2.gz	JGDJQZPYQSUXIA-VIFPVBQESA-N	-1	0	268.244	-0.187	50	0		CBAARM
C[C@H](Sc1nc2[nH]c(=O)n(C)c(=O)c2n1C)C(=O)[O-]	ZINC000019891337	351352167	/nfs/dbraw/zinc/35/21/67/351352167.db2.gz	CHSAUOPIHUNOHI-BYPYZUCNSA-N	-1	0	284.297	-0.062	50	0		CBAARM
CC(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000020003363	351353390	/nfs/dbraw/zinc/35/33/90/351353390.db2.gz	IQSNRUSEFYZYGJ-JTQLQIEISA-N	-1	0	287.293	-0.387	50	0		CBAARM
C[C@@H](CN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699276	351436302	/nfs/dbraw/zinc/43/63/02/351436302.db2.gz	VUZQHBRMLBKLLK-IUCAKERBSA-N	-1	0	292.357	-0.411	50	0		CBAARM
CC(C)N1C[C@@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O	ZINC000043701864	351442677	/nfs/dbraw/zinc/44/26/77/351442677.db2.gz	LVTKLGDDIAWIMJ-UWVGGRQHSA-N	-1	0	284.312	-0.445	50	0		CBAARM
COCCn1cc(N2C[C@@H](C(=O)[O-])CC2=O)cn1	ZINC000049540778	351495052	/nfs/dbraw/zinc/49/50/52/351495052.db2.gz	JMMZQBSVBGRQNI-QMMMGPOBSA-N	-1	0	253.258	-0.033	50	0		CBAARM
C[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000054310934	351534703	/nfs/dbraw/zinc/53/47/03/351534703.db2.gz	AWDWGNQLOHGSMA-RKDXNWHRSA-N	-1	0	292.357	-0.363	50	0		CBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)CN2CSCC2=O)C1	ZINC000062913358	351576589	/nfs/dbraw/zinc/57/65/89/351576589.db2.gz	UDOSDNFXAVDWDS-LLVKDONJSA-N	-1	0	272.326	-0.158	50	0		CBAARM
COc1cc(OC)nc(N2CCC(O)(C(=O)[O-])CC2)n1	ZINC000071747416	351644108	/nfs/dbraw/zinc/64/41/08/351644108.db2.gz	UYCIVLAFRDXFOV-UHFFFAOYSA-N	-1	0	283.284	-0.090	50	0		CBAARM
Cn1c(CCNC(=O)c2n[nH]c(=O)[n-]2)nc2ccccc21	ZINC000072290881	351645861	/nfs/dbraw/zinc/64/58/61/351645861.db2.gz	AWUIEIRBFHRBAZ-UHFFFAOYSA-N	-1	0	286.295	-0.043	50	0		CBAARM
O=C([O-])Cn1nc(N2CCSCC2)ccc1=O	ZINC000072323976	351646708	/nfs/dbraw/zinc/64/67/08/351646708.db2.gz	PYXXJUUOUZZGJW-UHFFFAOYSA-N	-1	0	255.299	-0.119	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2nc3ccccc3n2)CCO1	ZINC000072433520	351647344	/nfs/dbraw/zinc/64/73/44/351647344.db2.gz	ITHCXULREICRTE-NSHDSACASA-N	-1	0	290.279	-0.257	50	0		CBAARM
CN(Cc1ccncc1)C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000069441334	351628272	/nfs/dbraw/zinc/62/82/72/351628272.db2.gz	SKYUYPIBAMGQPU-UHFFFAOYSA-N	-1	0	274.280	-0.410	50	0		CBAARM
O=[N+]([O-])N=c1nc(N2CCOCC2)nc(Cl)[n-]1	ZINC000075252745	351666294	/nfs/dbraw/zinc/66/62/94/351666294.db2.gz	AJEMNLBJUZEPLC-UHFFFAOYSA-N	-1	0	260.641	-0.035	50	0		CBAARM
C[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C)C(=O)[O-]	ZINC000085554815	351719264	/nfs/dbraw/zinc/71/92/64/351719264.db2.gz	WVSBROBJIWYPOF-YFKPBYRVSA-N	-1	0	298.324	-0.464	50	0		CBAARM
Cc1nnsc1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088375039	351725043	/nfs/dbraw/zinc/72/50/43/351725043.db2.gz	VPSOIGISSHAEQG-LURJTMIESA-N	-1	0	257.271	-0.228	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100050493	351780355	/nfs/dbraw/zinc/78/03/55/351780355.db2.gz	ITXFNELSVHJYDM-DTWKUNHWSA-N	-1	0	273.248	-0.323	50	0		CBAARM
O=C([O-])C1(NC(=O)N2CC[C@H](O)C2)CCOCC1	ZINC000127662037	351863948	/nfs/dbraw/zinc/86/39/48/351863948.db2.gz	OEAOJBVCSWKAGY-QMMMGPOBSA-N	-1	0	258.274	-0.604	50	0		CBAARM
NC(=O)c1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1	ZINC000218710870	352236264	/nfs/dbraw/zinc/23/62/64/352236264.db2.gz	OMONVDUYBDKKTI-QMMMGPOBSA-N	-1	0	277.236	-0.315	50	0		CBAARM
CCC[C@H](CC(=O)[O-])NC(=O)Cc1c[nH]c(=O)n(C)c1=O	ZINC000219353068	352237381	/nfs/dbraw/zinc/23/73/81/352237381.db2.gz	SJPZUCFSSCIVLZ-SECBINFHSA-N	-1	0	297.311	-0.624	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ncccc1O	ZINC000220249177	352238836	/nfs/dbraw/zinc/23/88/36/352238836.db2.gz	IPOKOSSCDDOIRX-PSASIEDQSA-N	-1	0	296.279	-0.224	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1O	ZINC000223211550	352242876	/nfs/dbraw/zinc/24/28/76/352242876.db2.gz	BOHNIFCOUMJVQX-MWLCHTKSSA-N	-1	0	296.279	-0.224	50	0		CBAARM
CC(=O)[N-]S(=O)(=O)c1ncccc1NC(C)=O	ZINC000252480000	352377193	/nfs/dbraw/zinc/37/71/93/352377193.db2.gz	BRJKEKIPLFYFMH-UHFFFAOYSA-N	-1	0	257.271	-0.135	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000261846349	352398558	/nfs/dbraw/zinc/39/85/58/352398558.db2.gz	PQGTXWXBMKDULZ-QMMMGPOBSA-N	-1	0	297.311	-0.360	50	0		CBAARM
O=C([O-])[C@@H]1CCCN1C(=O)CN1CCCS1(=O)=O	ZINC000262171383	352409398	/nfs/dbraw/zinc/40/93/98/352409398.db2.gz	VCWWXOTWITYWEH-QMMMGPOBSA-N	-1	0	276.314	-0.903	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000262460408	352422091	/nfs/dbraw/zinc/42/20/91/352422091.db2.gz	XXGMKBSWVTUTGD-XHNCKOQMSA-N	-1	0	277.342	-0.011	50	0		CBAARM
Cn1c(=O)[nH]cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1=O	ZINC000262678983	352430115	/nfs/dbraw/zinc/43/01/15/352430115.db2.gz	SAHGSEMDWLGPIW-QMMMGPOBSA-N	-1	0	281.268	-0.435	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCO1	ZINC000262895528	352435738	/nfs/dbraw/zinc/43/57/38/352435738.db2.gz	AWEALEIICPBFOQ-QWRGUYRKSA-N	-1	0	287.312	-0.116	50	0		CBAARM
C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O	ZINC000269174680	352463354	/nfs/dbraw/zinc/46/33/54/352463354.db2.gz	JDWJIAXWTVFZCZ-GFCCVEGCSA-N	-1	0	283.284	-0.702	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)CCN1CCCS1(=O)=O	ZINC000263324053	352443394	/nfs/dbraw/zinc/44/33/94/352443394.db2.gz	SDSSRUWHEQRSNC-QMMMGPOBSA-N	-1	0	278.330	-0.657	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299748596	352729026	/nfs/dbraw/zinc/72/90/26/352729026.db2.gz	HOZNIVDFXFBQRC-MRVPVSSYSA-N	-1	0	280.284	-0.304	50	0		CBAARM
NC(=O)c1ccc(N2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1	ZINC000409414178	353926721	/nfs/dbraw/zinc/92/67/21/353926721.db2.gz	OMONVDUYBDKKTI-MRVPVSSYSA-N	-1	0	277.236	-0.315	50	0		CBAARM
O=C([O-])C1(NC(=O)CN2CCC[C@H](O)C2)CCCC1	ZINC000426651332	354243949	/nfs/dbraw/zinc/24/39/49/354243949.db2.gz	NHPMCZRKRNORPO-JTQLQIEISA-N	-1	0	270.329	-0.043	50	0		CBAARM
O=C([O-])CNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000035179280	304068482	/nfs/dbraw/zinc/06/84/82/304068482.db2.gz	IKFSOFKOJBJPCY-YUMQZZPRSA-N	-1	0	268.269	-0.638	50	0		CBAARM
CSCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000222323978	189730668	/nfs/dbraw/zinc/73/06/68/189730668.db2.gz	BCCYIRYPNGCWKK-HTQZYQBOSA-N	-1	0	263.315	-0.276	50	0		CBAARM
CN1CCN(Cc2cccc(C(=O)[O-])n2)C[C@H]1CO	ZINC000225321895	189746472	/nfs/dbraw/zinc/74/64/72/189746472.db2.gz	MWDCOMOAYWMVDE-NSHDSACASA-N	-1	0	265.313	-0.112	50	0		CBAARM
CC(C)(CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000147569967	372803335	/nfs/dbraw/zinc/80/33/35/372803335.db2.gz	ZOMCKRRZTFKYSG-MRVPVSSYSA-N	-1	0	292.357	-0.363	50	0		CBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000218273676	220236196	/nfs/dbraw/zinc/23/61/96/220236196.db2.gz	NKFSOCVGIRVSQI-BDAKNGLRSA-N	-1	0	290.341	-0.657	50	0		CBAARM
CC(C)N1C(=O)C[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1=O	ZINC000262292521	190051982	/nfs/dbraw/zinc/05/19/82/190051982.db2.gz	HUWRPKJAUPLXIS-SSDOTTSWSA-N	-1	0	268.269	-0.497	50	0		CBAARM
CCn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000000408558	169633219	/nfs/dbraw/zinc/63/32/19/169633219.db2.gz	NEKRIEOMBICHFT-UHFFFAOYSA-N	-1	0	298.324	-0.370	50	0		CBAARM
CC(C)N1C[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1=O	ZINC000088375192	256853629	/nfs/dbraw/zinc/85/36/29/256853629.db2.gz	BIUYBWQZHOXGGX-NXEZZACHSA-N	-1	0	284.312	-0.445	50	0		CBAARM
COCC[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)C(=O)[O-]	ZINC000052785007	256853631	/nfs/dbraw/zinc/85/36/31/256853631.db2.gz	QGGUJNPPVJNDAE-UWVGGRQHSA-N	-1	0	286.328	-0.151	50	0		CBAARM
CCOC(=O)[C@H](CC(=O)[O-])c1c(C)n(C)c(=O)n(C)c1=O	ZINC000003844362	285915620	/nfs/dbraw/zinc/91/56/20/285915620.db2.gz	WZFOZLIHFYMZNK-MRVPVSSYSA-N	-1	0	298.295	-0.486	50	0		CBAARM
O=C([O-])/C=c1\s/c(=C\C(=O)N2CCCCC2)[nH]c1=O	ZINC000003768454	169912363	/nfs/dbraw/zinc/91/23/63/169912363.db2.gz	SYJCRMKBLRDLOD-VRHVFUOLSA-N	-1	0	282.321	-0.906	50	0		CBAARM
O=C([O-])COCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000004770597	170014117	/nfs/dbraw/zinc/01/41/17/170014117.db2.gz	SXGMFSUOWCUVBF-UHFFFAOYSA-N	-1	0	265.225	-0.104	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)N(CCCN2CCOCC2)C1	ZINC000004992691	170051078	/nfs/dbraw/zinc/05/10/78/170051078.db2.gz	JKSUFEIQXUHPSY-SNVBAGLBSA-N	-1	0	256.302	-0.358	50	0		CBAARM
CCOC(=O)C1=C(CSCC(=O)[O-])NC(=O)NC1	ZINC000006940616	170257007	/nfs/dbraw/zinc/25/70/07/170257007.db2.gz	CJQCUVTZDUGKOV-UHFFFAOYSA-N	-1	0	274.298	-0.066	50	0		CBAARM
Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[O-]	ZINC000007784509	170302729	/nfs/dbraw/zinc/30/27/29/170302729.db2.gz	LNPJLJXTMBERAA-UHFFFAOYSA-N	-1	0	274.298	-0.256	50	0		CBAARM
O=C([O-])CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	ZINC000008994234	170360985	/nfs/dbraw/zinc/36/09/85/170360985.db2.gz	PTUHBCVEXXKKNB-UHFFFAOYSA-N	-1	0	291.263	-0.307	50	0		CBAARM
C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009109721	170363674	/nfs/dbraw/zinc/36/36/74/170363674.db2.gz	XUKABJAECWNTDT-ZETCQYMHSA-N	-1	0	291.263	-0.721	50	0		CBAARM
Cn1cc(CNC(=O)c2c(C(=O)[O-])cnn2C)cn1	ZINC000012357936	170478952	/nfs/dbraw/zinc/47/89/52/170478952.db2.gz	ARDKKCGOIAREPU-UHFFFAOYSA-N	-1	0	263.257	-0.218	50	0		CBAARM
C[C@@H](CN1CCOCC1)NC(=O)c1nn(C)cc1C(=O)[O-]	ZINC000012358025	170479039	/nfs/dbraw/zinc/47/90/39/170479039.db2.gz	ZRWMAROVSDOBRP-VIFPVBQESA-N	-1	0	296.327	-0.431	50	0		CBAARM
NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000020284999	171133655	/nfs/dbraw/zinc/13/36/55/171133655.db2.gz	UEFOOXBQBNWTDR-UHFFFAOYSA-N	-1	0	258.255	-0.852	50	0		CBAARM
NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000020593458	171263030	/nfs/dbraw/zinc/26/30/30/171263030.db2.gz	HCAJMQKQMSCITK-ZCFIWIBFSA-N	-1	0	288.281	-0.384	50	0		CBAARM
Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O	ZINC000021297308	171300915	/nfs/dbraw/zinc/30/09/15/171300915.db2.gz	SUPKOOSCJHTBAH-UHFFFAOYSA-N	-1	0	273.189	-0.440	50	0	in-man	CBAARM
O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCO1	ZINC000021964360	171343133	/nfs/dbraw/zinc/34/31/33/171343133.db2.gz	SBNMWDWPNCBSRV-BDAKNGLRSA-N	-1	0	253.258	-0.299	50	0		CBAARM
C[C@H](Nc1n[nH]c(=O)[n-]c1=O)C(=O)NCc1ccco1	ZINC000027026270	171505728	/nfs/dbraw/zinc/50/57/28/171505728.db2.gz	FFCGYTMQSPPTCW-LURJTMIESA-N	-1	0	279.256	-0.832	50	0		CBAARM
CCn1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c1=O	ZINC000662897540	414059221	/nfs/dbraw/zinc/05/92/21/414059221.db2.gz	PDQVGZXEXOXQGU-YIZRAAEISA-N	-1	0	267.285	-0.101	50	0		CBAARM
COCCN1C[C@H](C(=O)N(C)CC(=O)[O-])CC1=O	ZINC000037448069	173215557	/nfs/dbraw/zinc/21/55/57/173215557.db2.gz	YECVDXOEFMQEBF-MRVPVSSYSA-N	-1	0	258.274	-0.976	50	0		CBAARM
O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCSCC1	ZINC000037731802	173652777	/nfs/dbraw/zinc/65/27/77/173652777.db2.gz	GZKNAYLWWSSGNR-UHFFFAOYSA-N	-1	0	277.327	-0.155	50	0		CBAARM
O=C([O-])CS(=O)(=O)Cc1nc2ccccc2c(=O)[nH]1	ZINC000040541968	174322700	/nfs/dbraw/zinc/32/27/00/174322700.db2.gz	KZAMGKKNAJOBGA-UHFFFAOYSA-N	-1	0	282.277	-0.078	50	0		CBAARM
CS(=O)(=O)[N-]C(=O)CCn1nnc2ccccc2c1=O	ZINC000040543848	174323738	/nfs/dbraw/zinc/32/37/38/174323738.db2.gz	AVVFZELHCKAGKR-UHFFFAOYSA-N	-1	0	296.308	-0.743	50	0		CBAARM
O=C([O-])[C@]1(NC(=O)Cn2cccn2)CCSC1	ZINC000043508650	175059764	/nfs/dbraw/zinc/05/97/64/175059764.db2.gz	LCQWZTHCUINIQW-JTQLQIEISA-N	-1	0	255.299	-0.040	50	0		CBAARM
CC(C)(C)C(=O)NCC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000043700989	175098186	/nfs/dbraw/zinc/09/81/86/175098186.db2.gz	ANJOURVXULMYQM-MRVPVSSYSA-N	-1	0	272.301	-0.539	50	0		CBAARM
O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1cnnn1	ZINC000050921486	175520300	/nfs/dbraw/zinc/52/03/00/175520300.db2.gz	ZRVWIGJHWRFIIQ-VIFPVBQESA-N	-1	0	267.289	-0.081	50	0		CBAARM
O=C([O-])CCn1cc(Br)c(=O)[nH]c1=O	ZINC000061957885	175659155	/nfs/dbraw/zinc/65/91/55/175659155.db2.gz	QPUZMEJUORRXBG-UHFFFAOYSA-N	-1	0	263.047	-0.226	50	0		CBAARM
O=C([O-])C[C@@H]1COCCN1C(=O)CCCn1cncn1	ZINC000072156977	176328546	/nfs/dbraw/zinc/32/85/46/176328546.db2.gz	FSEDFZCAYRZWCZ-SNVBAGLBSA-N	-1	0	282.300	-0.240	50	0		CBAARM
CCOC(=O)CNC(=O)NC1=NC(=O)[C@@H](C(C)C)O1	ZINC000014248795	260079268	/nfs/dbraw/zinc/07/92/68/260079268.db2.gz	OSUXVZGVSFIOJR-MRVPVSSYSA-N	-1	0	271.273	-0.214	50	0		CBAARM
NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000037791703	544419234	/nfs/dbraw/zinc/41/92/34/544419234.db2.gz	DXPYWQKRSIJHAV-ZJUUUORDSA-N	-1	0	298.320	-0.329	50	0		CBAARM
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H](CC(=O)[O-])C(C)C	ZINC000222711114	544491566	/nfs/dbraw/zinc/49/15/66/544491566.db2.gz	XDNFDWNCXPQSOK-VIFPVBQESA-N	-1	0	297.311	-0.470	50	0		CBAARM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CNC(=O)C1	ZINC000134852871	544463184	/nfs/dbraw/zinc/46/31/84/544463184.db2.gz	AOUGEEATULWONS-ONGXEEELSA-N	-1	0	292.291	-0.360	50	0		CBAARM
CCc1cc(CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)on1	ZINC000222836913	544491254	/nfs/dbraw/zinc/49/12/54/544491254.db2.gz	FUAUDKCJHURGDP-UHFFFAOYSA-N	-1	0	292.295	-0.185	50	0		CBAARM
C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C(=O)[O-]	ZINC000263047317	544522685	/nfs/dbraw/zinc/52/26/85/544522685.db2.gz	KAPWBLBUEWXUHB-XVKPBYJWSA-N	-1	0	295.299	-0.911	50	0		CBAARM
Nc1nonc1-n1nnc(C(=O)[O-])c1CN1CCCCC1	ZINC000005451869	419407657	/nfs/dbraw/zinc/40/76/57/419407657.db2.gz	MVJHPSJKLKQRHR-UHFFFAOYSA-N	-1	0	293.287	-0.083	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)[C@@H]1CCN(C)S1(=O)=O	ZINC000647729590	419642844	/nfs/dbraw/zinc/64/28/44/419642844.db2.gz	CQPJTIDYPFNULA-QMMMGPOBSA-N	-1	0	278.330	-0.657	50	0		CBAARM
O=C([O-])Cn1cc(NC(=O)CN2CCCCC2=O)cn1	ZINC000647745732	419645589	/nfs/dbraw/zinc/64/55/89/419645589.db2.gz	NHJKFVJKNHJJFX-UHFFFAOYSA-N	-1	0	280.284	-0.081	50	0		CBAARM
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnnn1C	ZINC000650236195	419947638	/nfs/dbraw/zinc/94/76/38/419947638.db2.gz	GMBBXJCTGZZJMQ-LURJTMIESA-N	-1	0	262.291	-0.701	50	0		CBAARM
Nc1nc2c(ncn2CC(=O)[O-])c(N2CCOCC2)n1	ZINC000524728974	420394458	/nfs/dbraw/zinc/39/44/58/420394458.db2.gz	HCBPWHUCHNAJIW-UHFFFAOYSA-N	-1	0	278.272	-0.670	50	0		CBAARM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)C(C)C)CCO1	ZINC000681944080	545052524	/nfs/dbraw/zinc/05/25/24/545052524.db2.gz	SIFALXLKVRHAOQ-LLVKDONJSA-N	-1	0	286.328	-0.197	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000342555692	278065310	/nfs/dbraw/zinc/06/53/10/278065310.db2.gz	BUYSLNPRQLUTKQ-IUCAKERBSA-N	-1	0	272.326	-0.017	50	0		CBAARM
CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1	ZINC000250604729	278144505	/nfs/dbraw/zinc/14/45/05/278144505.db2.gz	ABYGQSMFNBOJIC-KXUCPTDWSA-N	-1	0	254.286	-0.166	50	0		CBAARM
CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000262588281	295517188	/nfs/dbraw/zinc/51/71/88/295517188.db2.gz	HBPDKRVQBKADPY-BDAKNGLRSA-N	-1	0	290.341	-0.799	50	0		CBAARM
Cn1ncc2c1nc(CSCC(=O)[O-])[nH]c2=O	ZINC000014135125	303059412	/nfs/dbraw/zinc/05/94/12/303059412.db2.gz	GVXBRUJGIIYNQS-UHFFFAOYSA-N	-1	0	254.271	-0.026	50	0		CBAARM
NC(=O)[C@H]1CCCN1C(=O)c1nccnc1C(=O)[O-]	ZINC000032069604	303329756	/nfs/dbraw/zinc/32/97/56/303329756.db2.gz	SBGRIEUBWATKLC-ZCFIWIBFSA-N	-1	0	264.241	-0.735	50	0		CBAARM
CN1CCN(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)C1=O	ZINC000534676833	328351997	/nfs/dbraw/zinc/35/19/97/328351997.db2.gz	LXAZOUONLXLSKW-MBTKJCJQSA-N	-1	0	267.285	-0.857	50	0		CBAARM
Cc1cc(C)n(CC(=O)N2CCOC[C@@H]2C(=O)[O-])n1	ZINC000088373688	330375785	/nfs/dbraw/zinc/37/57/85/330375785.db2.gz	NFCGYGFNNPVERP-SNVBAGLBSA-N	-1	0	267.285	-0.188	50	0		CBAARM
CC(C)CN1C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC1=O	ZINC000090276272	334359350	/nfs/dbraw/zinc/35/93/50/334359350.db2.gz	IFLSXTJZMGISHY-NOZJJQNGSA-N	-1	0	286.328	-0.557	50	0		CBAARM
Cc1nc(SCC(=O)[O-])c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000004960332	336187856	/nfs/dbraw/zinc/18/78/56/336187856.db2.gz	NZBIEARTOADAHR-UHFFFAOYSA-N	-1	0	296.308	-0.488	50	0		CBAARM
COc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1	ZINC000096511698	534040232	/nfs/dbraw/zinc/04/02/32/534040232.db2.gz	QQGSVMLNMKRRCS-UHFFFAOYSA-N	-1	0	252.226	-0.166	50	0		CBAARM
CC(C)(C)S(=O)(=O)CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262760533	535015166	/nfs/dbraw/zinc/01/51/66/535015166.db2.gz	KNPWSIKJCYRQLP-QMMMGPOBSA-N	-1	0	293.341	-0.488	50	0		CBAARM
CC(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)[O-]	ZINC000817863294	582495956	/nfs/dbraw/zinc/49/59/56/582495956.db2.gz	FQTYXCGIDBJEHV-YUMQZZPRSA-N	-1	0	285.300	-0.410	50	0		CBAARM
CCC[C@@H](NC(=O)C1(S(N)(=O)=O)CC1)C(=O)[O-]	ZINC000864097537	583873950	/nfs/dbraw/zinc/87/39/50/583873950.db2.gz	VKJABXPMECSSGQ-ZCFIWIBFSA-N	-1	0	264.303	-0.823	50	0		CBAARM
COC(=O)c1cn([C@H](C(=O)[O-])[C@H](C)O)cc2c(=O)[nH]nc1-2	ZINC000888089098	584483126	/nfs/dbraw/zinc/48/31/26/584483126.db2.gz	HSJLMEADIOHYGV-CDUCUWFYSA-N	-1	0	295.251	-0.118	50	0		CBAARM
CC1=C(C(=O)N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)OCCO1	ZINC000952985756	614954321	/nfs/dbraw/zinc/95/43/21/614954321.db2.gz	DKGVSJKMPVRPJK-LURJTMIESA-N	-1	0	296.283	-0.113	50	0		CBAARM
O=S(=O)([N-]n1cnnc1)c1ccc2c(c1)OCCO2	ZINC000000450945	655995879	/nfs/dbraw/zinc/99/58/79/655995879.db2.gz	MINSWRCYRIMWCQ-UHFFFAOYSA-N	-1	0	282.281	-0.018	50	0		CBAARM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)N[C@@H]2NC(=O)N[C@H]21	ZINC000251767920	656122588	/nfs/dbraw/zinc/12/25/88/656122588.db2.gz	ICMJHKHITZRDSC-VZFHVOOUSA-N	-1	0	256.262	-0.524	50	0		CBAARM
C[C@@H](C(=O)NCc1n[n-]c(=N)s1)N1CCN(C)CC1	ZINC000426422056	656169060	/nfs/dbraw/zinc/16/90/60/656169060.db2.gz	WPEPPZFNSIYSKJ-QMMMGPOBSA-N	-1	0	284.389	-0.797	50	0		CBAARM
CO[C@]1(C(=O)[O-])CCN(C(=O)C2=NN(C)C(=O)CC2)C1	ZINC000703775665	656183945	/nfs/dbraw/zinc/18/39/45/656183945.db2.gz	GFSHIBMGJRQBQJ-GFCCVEGCSA-N	-1	0	283.284	-0.703	50	0		CBAARM
CCN(C(=O)C1=NN(C)C(=O)CC1)[C@H](C)C(=O)[O-]	ZINC000707910710	656190924	/nfs/dbraw/zinc/19/09/24/656190924.db2.gz	SQOOZWLUKQIBEZ-SSDOTTSWSA-N	-1	0	255.274	-0.084	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N1CCN[C@@H](c2ccccc2)C1	ZINC000952989473	658360791	/nfs/dbraw/zinc/36/07/91/658360791.db2.gz	SFNGOUQNEWHFEH-LLVKDONJSA-N	-1	0	287.327	-0.741	50	0		CBAARM
CS(=O)(=O)NCC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000389024169	790560627	/nfs/dbraw/zinc/56/06/27/790560627.db2.gz	HDSZIGITKLTRST-SECBINFHSA-N	-1	0	292.357	-0.361	50	0		CBAARM
CCN1CCOC[C@H]1C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000585139513	790635761	/nfs/dbraw/zinc/63/57/61/790635761.db2.gz	JYIPGPUXCPXCPS-UWVGGRQHSA-N	-1	0	258.318	-0.114	50	0		CBAARM
CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000585139514	790636679	/nfs/dbraw/zinc/63/66/79/790636679.db2.gz	JYIPGPUXCPXCPS-VHSXEESVSA-N	-1	0	258.318	-0.114	50	0		CBAARM
Cc1ccccc1OC[C@H](O)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000827627094	790866198	/nfs/dbraw/zinc/86/61/98/790866198.db2.gz	AMWUDBNQIDYUKE-VIFPVBQESA-N	-1	0	292.295	-0.125	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N[C@H]1CCc2ccccc2C1	ZINC000952868211	790935019	/nfs/dbraw/zinc/93/50/19/790935019.db2.gz	FMBILXKYEWLLOM-NSHDSACASA-N	-1	0	272.312	-0.241	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)Cn1nc(C)cc1N	ZINC000824401178	884575389	/nfs/dbraw/zinc/57/53/89/884575389.db2.gz	HLNPFKQPNXLAOX-UHFFFAOYSA-N	-1	0	270.289	-0.667	50	0		CBAARM
Cc1cc([C@@H]2CCCN2C(=O)Cn2[n-]nnc2=N)on1	ZINC001506395567	921575729	/nfs/dbraw/zinc/57/57/29/921575729.db2.gz	AQVOWSKVHPZDQQ-QMMMGPOBSA-N	-1	0	277.288	-0.254	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N[C@H]1COc2ccccc2C1	ZINC001506409242	921578158	/nfs/dbraw/zinc/57/81/58/921578158.db2.gz	GKSGUDZHXKBULQ-SECBINFHSA-N	-1	0	274.284	-0.794	50	0		CBAARM
CC(C)N(CC(F)(F)F)C(=O)Cn1[n-]nnc1=N	ZINC001506426623	921579265	/nfs/dbraw/zinc/57/92/65/921579265.db2.gz	TZSHCVYGHSUGRR-UHFFFAOYSA-N	-1	0	266.227	-0.115	50	0		CBAARM
C[C@@]1(O)CCN(C(=O)CCc2cc(=O)[n-]o2)C[C@@H]1O	ZINC000096135767	185104422	/nfs/dbraw/zinc/10/44/22/185104422.db2.gz	WAHMVOWINNCBEI-JOYOIKCWSA-N	-1	0	270.285	-0.343	50	0		CBAARM
C[C@]1(O)CCN(C(=O)CCc2cc(=O)[n-]o2)C[C@@H]1O	ZINC000096138731	185105480	/nfs/dbraw/zinc/10/54/80/185105480.db2.gz	WAHMVOWINNCBEI-CABZTGNLSA-N	-1	0	270.285	-0.343	50	0		CBAARM
Cn1c(=O)c(C(=O)NCCO)c([O-])c2ccccc21	ZINC000100270307	185710010	/nfs/dbraw/zinc/71/00/10/185710010.db2.gz	FLWYDXJZWBNEAW-UHFFFAOYSA-N	-1	0	262.265	-0.034	50	0		CBAARM
Cc1nn(C)c2c1c(C(=O)[O-])cc(=O)n2CC(N)=O	ZINC000012398371	351334096	/nfs/dbraw/zinc/33/40/96/351334096.db2.gz	SVULHIQXEWNJAH-UHFFFAOYSA-N	-1	0	264.241	-0.773	50	0		CBAARM
Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)[O-]	ZINC000012481455	351334174	/nfs/dbraw/zinc/33/41/74/351334174.db2.gz	CABWYWLWWFMOCH-UHFFFAOYSA-N	-1	0	251.242	-0.119	50	0		CBAARM
Cn1c(=O)c2c(n(C)c1=O)NCN(CCCC(=O)[O-])C2	ZINC000000070169	351297902	/nfs/dbraw/zinc/29/79/02/351297902.db2.gz	OIIKBAUWZVBFHI-UHFFFAOYSA-N	-1	0	282.300	-0.866	50	0		CBAARM
O=C(CNc1n[nH]c(=O)[n-]c1=O)OCc1ccccc1	ZINC000000189914	351299395	/nfs/dbraw/zinc/29/93/95/351299395.db2.gz	ZZGZJIDMAKPAIR-UHFFFAOYSA-N	-1	0	276.252	-0.387	50	0		CBAARM
O=C([O-])[C@H](CO)NS(=O)(=O)Cc1ccccc1	ZINC000000174781	351299584	/nfs/dbraw/zinc/29/95/84/351299584.db2.gz	QQSWKFFTXRWHDX-VIFPVBQESA-N	-1	0	259.283	-0.449	50	0		CBAARM
CC(NCCN1CCOCC1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000001301908	351302642	/nfs/dbraw/zinc/30/26/42/351302642.db2.gz	WRJJWAKQXVQTNI-UHFFFAOYSA-N	-1	0	282.300	-0.407	50	0		CBAARM
Nc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1	ZINC000001841190	351306769	/nfs/dbraw/zinc/30/67/69/351306769.db2.gz	IALORYHODRVWKZ-UHFFFAOYSA-N	-1	0	281.311	-0.138	50	0		CBAARM
Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1	ZINC000002732110	351310054	/nfs/dbraw/zinc/31/00/54/351310054.db2.gz	LZAOQDXYLIICDX-MRVPVSSYSA-N	-1	0	273.314	-0.095	50	0		CBAARM
CNC(=S)N[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000003344676	351312652	/nfs/dbraw/zinc/31/26/52/351312652.db2.gz	VJWFSNHJOBLWFQ-UHFFFAOYSA-N	-1	0	275.355	-0.018	50	0		CBAARM
NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000004536014	351320757	/nfs/dbraw/zinc/32/07/57/351320757.db2.gz	VBRXKMODHMQCNZ-UHFFFAOYSA-N	-1	0	286.309	-0.488	50	0		CBAARM
Cn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000004634770	351320837	/nfs/dbraw/zinc/32/08/37/351320837.db2.gz	YNICQCYEETVXOZ-UHFFFAOYSA-N	-1	0	270.270	-0.863	50	0	biogenic,in-vitro	CBAARM
CCC(NN1CCOCC1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000005071861	351322505	/nfs/dbraw/zinc/32/25/05/351322505.db2.gz	BUBAPZMWMVZDIP-UHFFFAOYSA-N	-1	0	268.273	-0.306	50	0		CBAARM
CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000013315323	351336149	/nfs/dbraw/zinc/33/61/49/351336149.db2.gz	QSFMQMHNTNFWSF-UHFFFAOYSA-N	-1	0	292.338	-0.187	50	0		CBAARM
S=c1nc(N2CCOCC2)nc(N2CCOCC2)[n-]1	ZINC000005816959	351323516	/nfs/dbraw/zinc/32/35/16/351323516.db2.gz	UABCJKPCNYMEPU-UHFFFAOYSA-N	-1	0	283.357	-0.167	50	0		CBAARM
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCCC(=O)[O-]	ZINC000011566515	351331553	/nfs/dbraw/zinc/33/15/53/351331553.db2.gz	IMBFJINAEJBVKC-UHFFFAOYSA-N	-1	0	299.308	-0.082	50	0		CBAARM
COc1ccccc1NC(=O)[C@@H](O)[C@H](O)C(=O)[O-]	ZINC000033967070	351383580	/nfs/dbraw/zinc/38/35/80/351383580.db2.gz	QHYRRCJBXXMTAX-IUCAKERBSA-N	-1	0	255.226	-0.560	50	0		CBAARM
CC1(C)[C@H](C(=O)N2CCN(CCO)CC2)[C@@H]1C(=O)[O-]	ZINC000034926342	351384338	/nfs/dbraw/zinc/38/43/38/351384338.db2.gz	AODQYMOBHVHVCZ-VHSXEESVSA-N	-1	0	270.329	-0.520	50	0		CBAARM
CCC[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000036836670	351393889	/nfs/dbraw/zinc/39/38/89/351393889.db2.gz	FCKHENQCUWPADA-SSDOTTSWSA-N	-1	0	260.315	-0.111	50	0		CBAARM
O=C([O-])CNC(=O)Cn1nnc(-c2ccsc2)n1	ZINC000036969054	351395133	/nfs/dbraw/zinc/39/51/33/351395133.db2.gz	AJCGHVOZUITRMV-UHFFFAOYSA-N	-1	0	267.270	-0.398	50	0		CBAARM
COCC[N-]S(=O)(=O)c1nc2nc(C)cc(C)n2n1	ZINC000015108001	351341009	/nfs/dbraw/zinc/34/10/09/351341009.db2.gz	SLQLJRBYLCSVDD-UHFFFAOYSA-N	-1	0	285.329	-0.334	50	0		CBAARM
COc1ccc(CC(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000019266642	351349344	/nfs/dbraw/zinc/34/93/44/351349344.db2.gz	WHJMBOVLKGVGGM-JTQLQIEISA-N	-1	0	253.254	-0.201	50	0		CBAARM
NS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000037791714	351403490	/nfs/dbraw/zinc/40/34/90/351403490.db2.gz	GYWJHVZCWRLPBE-IUCAKERBSA-N	-1	0	284.293	-0.007	50	0		CBAARM
CC(=O)C1=C(C)Nn2c(nnc(CCC(=O)[O-])c2=O)S1	ZINC000019689551	351350720	/nfs/dbraw/zinc/35/07/20/351350720.db2.gz	QTAOPGAPIVEWSU-VIFPVBQESA-N	-1	0	296.308	-0.057	50	0		CBAARM
NC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1	ZINC000019853094	351351714	/nfs/dbraw/zinc/35/17/14/351351714.db2.gz	APDWBMMVYCNLEG-UHFFFAOYSA-N	-1	0	279.281	-0.062	50	0		CBAARM
NS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000037791713	351403721	/nfs/dbraw/zinc/40/37/21/351403721.db2.gz	GYWJHVZCWRLPBE-BDAKNGLRSA-N	-1	0	284.293	-0.007	50	0		CBAARM
CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000019979178	351354071	/nfs/dbraw/zinc/35/40/71/351354071.db2.gz	IZHUFLUCAGEYOI-HLTSFMKQSA-N	-1	0	292.357	-0.028	50	0		CBAARM
CCO[N-]C(=O)Cn1c2ccccc2c(=O)[nH]c1=O	ZINC000022875299	351356412	/nfs/dbraw/zinc/35/64/12/351356412.db2.gz	ARJJTTOHLJWMEQ-UHFFFAOYSA-N	-1	0	263.253	-0.243	50	0		CBAARM
Cn1cnnc1CNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000037984322	351411389	/nfs/dbraw/zinc/41/13/89/351411389.db2.gz	NFNFPZURLIFFEB-UHFFFAOYSA-N	-1	0	296.308	-0.008	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1ccco1	ZINC000049606628	351495061	/nfs/dbraw/zinc/49/50/61/351495061.db2.gz	ZTJUEWRTKRUKIO-SECBINFHSA-N	-1	0	298.295	-0.043	50	0		CBAARM
O=C([O-])C1(C(=O)N2CCN(c3ncccn3)CC2)CC1	ZINC000050290115	351501578	/nfs/dbraw/zinc/50/15/78/351501578.db2.gz	IOWPBTQZFCKIFO-UHFFFAOYSA-N	-1	0	276.296	-0.010	50	0		CBAARM
Nc1nc2ccc(C(=O)[O-])cc2c(NC[C@H](O)CO)n1	ZINC000065406694	351590200	/nfs/dbraw/zinc/59/02/00/351590200.db2.gz	FJBHTKDZNQKMEA-ZETCQYMHSA-N	-1	0	278.268	-0.325	50	0		CBAARM
Cc1cc(C)n(CCN2C[C@H](C(=O)[O-])CC2=O)c(=O)n1	ZINC000065425110	351590623	/nfs/dbraw/zinc/59/06/23/351590623.db2.gz	MZIMCXJCKDKSQL-SNVBAGLBSA-N	-1	0	279.296	-0.207	50	0		CBAARM
CC(C)N1C[C@H](C(=O)N2CCOC[C@H]2C(=O)[O-])CC1=O	ZINC000088375197	351725130	/nfs/dbraw/zinc/72/51/30/351725130.db2.gz	BIUYBWQZHOXGGX-ZJUUUORDSA-N	-1	0	284.312	-0.445	50	0		CBAARM
COCC(=O)N1CCN(Cc2c[nH]cn2)C[C@@H](C(=O)[O-])C1	ZINC000097370555	351777787	/nfs/dbraw/zinc/77/77/87/351777787.db2.gz	KIRMZBTZWWSQGL-SNVBAGLBSA-N	-1	0	296.327	-0.599	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2	ZINC000100059406	351780111	/nfs/dbraw/zinc/78/01/11/351780111.db2.gz	IHKLIUBWIVJJQB-VHSXEESVSA-N	-1	0	287.275	-0.015	50	0		CBAARM
Cc1nc2[n-]c(C(=O)N3CCOCC3)nn2c(=O)c1Cl	ZINC000100486572	351780968	/nfs/dbraw/zinc/78/09/68/351780968.db2.gz	LICLIUYNJYWJRR-UHFFFAOYSA-N	-1	0	297.702	-0.148	50	0		CBAARM
C[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C(=O)[O-]	ZINC000160283400	351969152	/nfs/dbraw/zinc/96/91/52/351969152.db2.gz	QLPMEGHPEKSULP-VKHMYHEASA-N	-1	0	250.198	-0.554	50	0		CBAARM
C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000170621249	351998833	/nfs/dbraw/zinc/99/88/33/351998833.db2.gz	DEZWHJIGYIMZMW-HTQZYQBOSA-N	-1	0	251.304	-0.354	50	0		CBAARM
C[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)CC(=O)[O-]	ZINC000211743398	352229479	/nfs/dbraw/zinc/22/94/79/352229479.db2.gz	HASGBEJYVSZAJV-DTWKUNHWSA-N	-1	0	292.357	-0.363	50	0		CBAARM
CC(C)C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CC(=O)[O-]	ZINC000214308878	352229534	/nfs/dbraw/zinc/22/95/34/352229534.db2.gz	IHNVIANQGCIOMG-IUCAKERBSA-N	-1	0	299.327	-0.162	50	0		CBAARM
Cn1nccc1/C=C\C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000214503099	352230182	/nfs/dbraw/zinc/23/01/82/352230182.db2.gz	NAJZCKKHMLTGJP-ZMWSMAPVSA-N	-1	0	265.269	-0.255	50	0		CBAARM
CN(CC(=O)[O-])c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1	ZINC000244817108	352317065	/nfs/dbraw/zinc/31/70/65/352317065.db2.gz	SULPGBTYHQFSBC-KNVOCYPGSA-N	-1	0	252.274	-0.182	50	0		CBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)[O-])CCNC(=O)CC1	ZINC000257182658	352385521	/nfs/dbraw/zinc/38/55/21/352385521.db2.gz	PVBZICRKZLOIEX-VIFPVBQESA-N	-1	0	292.357	-0.361	50	0		CBAARM
CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000262460407	352422454	/nfs/dbraw/zinc/42/24/54/352422454.db2.gz	XXGMKBSWVTUTGD-DJLDLDEBSA-N	-1	0	277.342	-0.011	50	0		CBAARM
CN1N=C(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCC1=O	ZINC000262719210	352431605	/nfs/dbraw/zinc/43/16/05/352431605.db2.gz	HODISTARJZJJAY-NSHDSACASA-N	-1	0	271.248	-0.380	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCO1	ZINC000262895535	352435455	/nfs/dbraw/zinc/43/54/55/352435455.db2.gz	AWEALEIICPBFOQ-WDEREUQCSA-N	-1	0	287.312	-0.116	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000299752396	352728984	/nfs/dbraw/zinc/72/89/84/352728984.db2.gz	TZJKFOUKBVGYFU-HTRCEHHLSA-N	-1	0	260.315	-0.255	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299745444	352729112	/nfs/dbraw/zinc/72/91/12/352729112.db2.gz	ZDGMVHONSYCFRP-ZETCQYMHSA-N	-1	0	283.284	-0.750	50	0		CBAARM
Cc1nonc1CC(=O)N1CCN(CCC(=O)[O-])CC1	ZINC000299777700	352730019	/nfs/dbraw/zinc/73/00/19/352730019.db2.gz	HOYUOBLFPUXLJV-UHFFFAOYSA-N	-1	0	282.300	-0.461	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000328595433	352783955	/nfs/dbraw/zinc/78/39/55/352783955.db2.gz	VDGLLPWRVKPANJ-DTWKUNHWSA-N	-1	0	288.325	-0.780	50	0		CBAARM
O=C([O-])C1(NC(=O)c2c[nH]c(=O)[nH]c2=O)CCCC1	ZINC000037365869	304032762	/nfs/dbraw/zinc/03/27/62/304032762.db2.gz	LKQKPKVQOFVPDO-UHFFFAOYSA-N	-1	0	267.241	-0.810	50	0		CBAARM
O=C([O-])CCN1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000035122377	304053089	/nfs/dbraw/zinc/05/30/89/304053089.db2.gz	CGJFVIFIDBVNOD-SNVBAGLBSA-N	-1	0	256.302	-0.216	50	0		CBAARM
O=C([O-])C[C@H]1COCCN1C(=O)CN1CSCC1=O	ZINC000128193576	304084706	/nfs/dbraw/zinc/08/47/06/304084706.db2.gz	XQUKBIUFRBXHIE-QMMMGPOBSA-N	-1	0	288.325	-0.779	50	0		CBAARM
O=C([O-])[C@@H]1CS(=O)(=O)CN1C(=O)c1ccccc1	ZINC000011920068	304136943	/nfs/dbraw/zinc/13/69/43/304136943.db2.gz	UNMXUCJNXICONF-VIFPVBQESA-N	-1	0	269.278	-0.032	50	0		CBAARM
Cc1ccnc(SCC(=O)NCCc2n[nH]c(=O)[n-]2)n1	ZINC000219570115	372871304	/nfs/dbraw/zinc/87/13/04/372871304.db2.gz	JOLYFNBOXBNINV-UHFFFAOYSA-N	-1	0	294.340	-0.353	50	0		CBAARM
O=C([O-])[C@@]1(NC(=O)[C@H]2COCCO2)CCSC1	ZINC000043509152	220193445	/nfs/dbraw/zinc/19/34/45/220193445.db2.gz	QBUJWIQWNQKOHO-GMSGAONNSA-N	-1	0	261.299	-0.522	50	0		CBAARM
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CN1CC(=O)NC1=O	ZINC000426502880	373669304	/nfs/dbraw/zinc/66/93/04/373669304.db2.gz	JMZLUOIFMSLJOM-QMMMGPOBSA-N	-1	0	285.300	-0.456	50	0		CBAARM
COC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1	ZINC000005997381	291606916	/nfs/dbraw/zinc/60/69/16/291606916.db2.gz	HJAKVQDJSUIRPK-MRVPVSSYSA-N	-1	0	255.251	-0.297	50	0		CBAARM
O=C([O-])[C@H]1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)O1	ZINC000262270866	304193456	/nfs/dbraw/zinc/19/34/56/304193456.db2.gz	GTHQAHUISOEHGP-XFWSIPNHSA-N	-1	0	282.296	-0.502	50	0		CBAARM
NC(=O)[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CCO1	ZINC000261711013	190043091	/nfs/dbraw/zinc/04/30/91/190043091.db2.gz	DNUMIYUUCVFRQJ-SNVBAGLBSA-N	-1	0	278.264	-0.289	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000261733603	190043462	/nfs/dbraw/zinc/04/34/62/190043462.db2.gz	STPBJZVSIDKRST-UHFFFAOYSA-N	-1	0	284.293	-0.665	50	0		CBAARM
O=C([O-])[C@H]1CC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2	ZINC000262225261	304194807	/nfs/dbraw/zinc/19/48/07/304194807.db2.gz	UVUYIGQUHIRZOQ-KATARQTJSA-N	-1	0	266.297	-0.023	50	0		CBAARM
Cn1nnc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])ccc21	ZINC000262402814	190054584	/nfs/dbraw/zinc/05/45/84/190054584.db2.gz	BBTKTEDVHTYMLK-NSHDSACASA-N	-1	0	290.279	-0.106	50	0		CBAARM
CN1C[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O	ZINC000262545109	190057430	/nfs/dbraw/zinc/05/74/30/190057430.db2.gz	SMIGGHMCGFDNLM-SSDOTTSWSA-N	-1	0	266.257	-0.616	50	0		CBAARM
CNC(=O)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cn1	ZINC000262726971	190062051	/nfs/dbraw/zinc/06/20/51/190062051.db2.gz	ZREFSONKNCFGPJ-LURJTMIESA-N	-1	0	251.242	-0.356	50	0		CBAARM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)N1CCOCC1	ZINC000004294801	304210172	/nfs/dbraw/zinc/21/01/72/304210172.db2.gz	FPLBPRMBENXSGL-RGOKHQFPSA-N	-1	0	253.254	-0.501	50	0		CBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000262695956	220255662	/nfs/dbraw/zinc/25/56/62/220255662.db2.gz	HVWCXHSFRHOLHH-VIFPVBQESA-N	-1	0	292.357	-0.266	50	0		CBAARM
CN(C[C@H]1CCCO1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000267609364	190341244	/nfs/dbraw/zinc/34/12/44/190341244.db2.gz	OLFDKSCBJXYPHP-MRVPVSSYSA-N	-1	0	267.285	-0.263	50	0		CBAARM
CSCC[C@@H](C(=O)[O-])N1C(=O)N[C@@H]2NC(=O)N[C@@H]21	ZINC000004029429	184529760	/nfs/dbraw/zinc/52/97/60/184529760.db2.gz	ZIJZHICDZSWHSK-HCWXCVPCSA-N	-1	0	274.302	-0.817	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000004000053	304248855	/nfs/dbraw/zinc/24/88/55/304248855.db2.gz	HLDUHCYBUVVDOT-LNFKQOIKSA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCOCC2)[C@H]2C=C[C@@H]1O2	ZINC000001471472	169708677	/nfs/dbraw/zinc/70/86/77/169708677.db2.gz	FPLBPRMBENXSGL-KATARQTJSA-N	-1	0	253.254	-0.501	50	0		CBAARM
C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-]	ZINC000080197945	297848446	/nfs/dbraw/zinc/84/84/46/297848446.db2.gz	KHACJPBCVMCFSV-SNVBAGLBSA-N	-1	0	256.258	-0.313	50	0		CBAARM
C[C@@H]1CN(C(=O)Cn2[n-]c(=O)ccc2=O)[C@H](C)CO1	ZINC000069453636	296817667	/nfs/dbraw/zinc/81/76/67/296817667.db2.gz	AMDHEUMMTDVUMW-RKDXNWHRSA-N	-1	0	267.285	-0.828	50	0		CBAARM
CC[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000035409466	286895656	/nfs/dbraw/zinc/89/56/56/286895656.db2.gz	VPDJIBPCBZIIRW-RKDXNWHRSA-N	-1	0	292.357	-0.220	50	0		CBAARM
CSCC[C@H](C(=O)[O-])N1C(=O)N[C@H]2NC(=O)N[C@H]21	ZINC000001822225	169758790	/nfs/dbraw/zinc/75/87/90/169758790.db2.gz	ZIJZHICDZSWHSK-PBXRRBTRSA-N	-1	0	274.302	-0.817	50	0		CBAARM
O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	ZINC000004218434	169945144	/nfs/dbraw/zinc/94/51/44/169945144.db2.gz	ZAYUQSLKLNDJBJ-UHFFFAOYSA-N	-1	0	260.271	-0.266	50	0		CBAARM
Cc1n[n-]c(Nc2ccc(S(N)(=O)=O)cc2)nc1=O	ZINC000004938654	170042727	/nfs/dbraw/zinc/04/27/27/170042727.db2.gz	DJRSBDOZFQGPKY-UHFFFAOYSA-N	-1	0	281.297	-0.136	50	0		CBAARM
O=c1[n-]c(=O)c(Sc2ncnc3[nH]cnc32)n[nH]1	ZINC000005009408	170054802	/nfs/dbraw/zinc/05/48/02/170054802.db2.gz	XHEVRFHKLONMMU-UHFFFAOYSA-N	-1	0	263.242	-0.312	50	0		CBAARM
CCC1C(=O)N=C(SCC(=O)N2CCOCC2)N=C1[O-]	ZINC000005129421	170069029	/nfs/dbraw/zinc/06/90/29/170069029.db2.gz	GTNCXDSVLIBZJB-UHFFFAOYSA-N	-1	0	299.352	-0.011	50	0		CBAARM
O=C([O-])Cn1cnc(S(=O)(=O)N2CCCC2)c1	ZINC000006920284	170255455	/nfs/dbraw/zinc/25/54/55/170255455.db2.gz	NSFSUMNNQBBTGI-UHFFFAOYSA-N	-1	0	259.287	-0.248	50	0		CBAARM
COC(=O)CC1(CC(=O)OC)C(=O)[N-]C(=O)NC1=O	ZINC000008914898	170358843	/nfs/dbraw/zinc/35/88/43/170358843.db2.gz	QPTLUQUOIXESNG-UHFFFAOYSA-N	-1	0	272.213	-0.695	50	0		CBAARM
CSCC[C@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000020258250	171113551	/nfs/dbraw/zinc/11/35/51/171113551.db2.gz	XWXVPZGHQVZJFK-QMMMGPOBSA-N	-1	0	272.330	-0.009	50	0		CBAARM
O=C([O-])[C@@H]1CCCN(C(=O)CCn2cncn2)C1	ZINC000020258832	171114490	/nfs/dbraw/zinc/11/44/90/171114490.db2.gz	NMUGKSBMFBSUGE-SECBINFHSA-N	-1	0	252.274	-0.009	50	0		CBAARM
Cn1c2ccc(S(=O)(=O)CC(=O)[O-])cc2n(C)c1=O	ZINC000021777592	171322069	/nfs/dbraw/zinc/32/20/69/171322069.db2.gz	LYBHCPGGXVJTDB-UHFFFAOYSA-N	-1	0	284.293	-0.265	50	0		CBAARM
NC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-]	ZINC000022148124	171357481	/nfs/dbraw/zinc/35/74/81/171357481.db2.gz	SCKUFKNEHMVDFQ-QMMMGPOBSA-N	-1	0	290.272	-0.567	50	0		CBAARM
C[C@H](C(=O)NCC(=O)[O-])n1nnc2ccccc2c1=O	ZINC000024984855	171446078	/nfs/dbraw/zinc/44/60/78/171446078.db2.gz	CRROQEWTKDMIDS-SSDOTTSWSA-N	-1	0	276.252	-0.447	50	0		CBAARM
CCn1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c1=O	ZINC000662897535	414059897	/nfs/dbraw/zinc/05/98/97/414059897.db2.gz	PDQVGZXEXOXQGU-DJLDLDEBSA-N	-1	0	267.285	-0.101	50	0		CBAARM
CC(C)[C@@H](NC(=O)CN1CSCC1=O)C(=O)[O-]	ZINC000037432686	173202422	/nfs/dbraw/zinc/20/24/22/173202422.db2.gz	NEQMSQXHHQMKPX-SECBINFHSA-N	-1	0	260.315	-0.255	50	0		CBAARM
CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C1	ZINC000037832920	173790712	/nfs/dbraw/zinc/79/07/12/173790712.db2.gz	ABYGQSMFNBOJIC-UTLUCORTSA-N	-1	0	254.286	-0.166	50	0		CBAARM
CCN1C[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O	ZINC000043701888	175098233	/nfs/dbraw/zinc/09/82/33/175098233.db2.gz	RKUVVFFRTIZZPZ-RKDXNWHRSA-N	-1	0	270.285	-0.833	50	0		CBAARM
COCCN1C[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)CC1=O	ZINC000062118791	175663999	/nfs/dbraw/zinc/66/39/99/175663999.db2.gz	GJUFVMMJZOPNOC-VHSXEESVSA-N	-1	0	284.312	-0.586	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)N(CCNC(=O)c2ccncc2)C1	ZINC000065374191	175724213	/nfs/dbraw/zinc/72/42/13/175724213.db2.gz	RXLLSKXDMGLNLR-SNVBAGLBSA-N	-1	0	277.280	-0.256	50	0		CBAARM
C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000090276783	544438004	/nfs/dbraw/zinc/43/80/04/544438004.db2.gz	KMNZJEFLXOWFFS-JTQLQIEISA-N	-1	0	277.273	-0.060	50	0		CBAARM
O=C([O-])C[C@@H]1CN(C(=O)CCn2ccccc2=O)CCO1	ZINC000091293601	544440059	/nfs/dbraw/zinc/44/00/59/544440059.db2.gz	KQWGKLHBEUBWRJ-LLVKDONJSA-N	-1	0	294.307	-0.060	50	0		CBAARM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CNC(=O)C1	ZINC000134852845	544462790	/nfs/dbraw/zinc/46/27/90/544462790.db2.gz	AOUGEEATULWONS-KOLCDFICSA-N	-1	0	292.291	-0.360	50	0		CBAARM
C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N1CCCO[C@H]13)[C@H]2C(=O)[O-]	ZINC000239328978	419591647	/nfs/dbraw/zinc/59/16/47/419591647.db2.gz	JYQCSJSOEZQAJI-PHODDWEVSA-N	-1	0	265.265	-0.011	50	0		CBAARM
CN(C)c1ncnc2c1ncn2CC(=O)NCC(=O)[O-]	ZINC000647638893	419626568	/nfs/dbraw/zinc/62/65/68/419626568.db2.gz	YNLMWCOONBEARA-UHFFFAOYSA-N	-1	0	278.272	-0.907	50	0		CBAARM
CC(C)Cc1cc(C(=O)N[C@H](CO)C(=O)[O-])nc(N)n1	ZINC000426386860	420265873	/nfs/dbraw/zinc/26/58/73/420265873.db2.gz	FYTOZKPUYLJWKO-SECBINFHSA-N	-1	0	282.300	-0.567	50	0		CBAARM
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])nc(N)n1	ZINC000426386861	420266696	/nfs/dbraw/zinc/26/66/96/420266696.db2.gz	FYTOZKPUYLJWKO-VIFPVBQESA-N	-1	0	282.300	-0.567	50	0		CBAARM
CC(=O)N1CCN(c2ncccn2)[C@H](C(=O)[O-])C1	ZINC000072343578	278044494	/nfs/dbraw/zinc/04/44/94/278044494.db2.gz	VWFPQCVLIOPCAC-VIFPVBQESA-N	-1	0	250.258	-0.402	50	0		CBAARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C=O)CC1	ZINC000061721650	281435686	/nfs/dbraw/zinc/43/56/86/281435686.db2.gz	LSEFKNREWDEMMY-RKDXNWHRSA-N	-1	0	254.286	-0.356	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000178931027	289486343	/nfs/dbraw/zinc/48/63/43/289486343.db2.gz	DIZJDWUFEQBMOM-PHDIDXHHSA-N	-1	0	282.218	-0.014	50	0		CBAARM
CN1C[C@@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O	ZINC000091293476	290263808	/nfs/dbraw/zinc/26/38/08/290263808.db2.gz	JJDAPWWXULEUGL-IUCAKERBSA-N	-1	0	270.285	-0.833	50	0		CBAARM
CS(=O)(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1	ZINC000262588285	295517419	/nfs/dbraw/zinc/51/74/19/295517419.db2.gz	HBPDKRVQBKADPY-IUCAKERBSA-N	-1	0	290.341	-0.799	50	0		CBAARM
C[C@@]12C=C[C@]3(O1)[C@H]1OCCCN1C(=O)[C@@H]3[C@@H]2C(=O)[O-]	ZINC000004045347	297928914	/nfs/dbraw/zinc/92/89/14/297928914.db2.gz	JYQCSJSOEZQAJI-PLRONSOJSA-N	-1	0	265.265	-0.011	50	0		CBAARM
C[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)CC(=O)[O-]	ZINC000211743258	298750933	/nfs/dbraw/zinc/75/09/33/298750933.db2.gz	HASGBEJYVSZAJV-IUCAKERBSA-N	-1	0	292.357	-0.363	50	0		CBAARM
Cc1nnc2c(=O)n(CC(=O)[O-])c3cccnc3n12	ZINC000032918586	302825436	/nfs/dbraw/zinc/82/54/36/302825436.db2.gz	CWLZPYOQJGPPPG-UHFFFAOYSA-N	-1	0	259.225	-0.168	50	0		CBAARM
Nc1ccnc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])n1	ZINC000095362688	303502240	/nfs/dbraw/zinc/50/22/40/303502240.db2.gz	RTUSSLJPTQZWLT-QMMMGPOBSA-N	-1	0	291.311	-0.382	50	0		CBAARM
CCCn1cnnc1CN(C)C(=O)NCC(=O)[O-]	ZINC000534578491	328310924	/nfs/dbraw/zinc/31/09/24/328310924.db2.gz	PSUZNLUKKWPLNR-UHFFFAOYSA-N	-1	0	255.278	-0.086	50	0		CBAARM
CN1CCN([C@H]2COC[C@@H]2NC(=O)CCCC(=O)[O-])CC1	ZINC000534633506	328332566	/nfs/dbraw/zinc/33/25/66/328332566.db2.gz	XDQALHRQZMSKQB-RYUDHWBXSA-N	-1	0	299.371	-0.628	50	0		CBAARM
O=C([O-])CCCC(=O)N[C@H]1COC[C@@H]1N1CCOCC1	ZINC000534656639	328340129	/nfs/dbraw/zinc/34/01/29/328340129.db2.gz	NOMHXKQBEKMQQJ-QWRGUYRKSA-N	-1	0	286.328	-0.543	50	0		CBAARM
C[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000054310929	524696816	/nfs/dbraw/zinc/69/68/16/524696816.db2.gz	AWDWGNQLOHGSMA-IUCAKERBSA-N	-1	0	292.357	-0.363	50	0		CBAARM
CC1=C(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])OCCO1	ZINC000952987860	614954290	/nfs/dbraw/zinc/95/42/90/614954290.db2.gz	KDBKGXCNERQJBP-VIFPVBQESA-N	-1	0	281.268	-0.200	50	0		CBAARM
CN(CCC[C@H]1CCCO1)C(=O)Cn1[n-]nnc1=N	ZINC000952976030	616076250	/nfs/dbraw/zinc/07/62/50/616076250.db2.gz	DIWBUWVZZGBIPY-VIFPVBQESA-N	-1	0	268.321	-0.497	50	0		CBAARM
O=C([O-])[C@@H](Cc1ccccc1)N1CC(=O)NC(=O)C1	ZINC000016675877	655996874	/nfs/dbraw/zinc/99/68/74/655996874.db2.gz	ISOITVOMWIJLHA-SNVBAGLBSA-N	-1	0	262.265	-0.359	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)CN1CCC[C@H](O)C1	ZINC000426505770	656169031	/nfs/dbraw/zinc/16/90/31/656169031.db2.gz	LYOIILCPBBYSGY-JTQLQIEISA-N	-1	0	274.317	-0.997	50	0		CBAARM
O=C([O-])c1nc(C(=O)NCCn2ccnn2)cs1	ZINC000227274654	790433448	/nfs/dbraw/zinc/43/34/48/790433448.db2.gz	UXOPSIHKCBIPOJ-UHFFFAOYSA-N	-1	0	267.270	-0.137	50	0		CBAARM
COC(=O)c1[n-]n(C)c(=O)c1C(=O)Nc1cccnc1	ZINC000585138079	790635814	/nfs/dbraw/zinc/63/58/14/790635814.db2.gz	MQVYMAGJTRTODL-MRVPVSSYSA-N	-1	0	276.252	-0.363	50	0		CBAARM
O=C([O-])[C@H](O)CNS(=O)(=O)CC(=O)c1ccccc1	ZINC000725376235	790820453	/nfs/dbraw/zinc/82/04/53/790820453.db2.gz	TXXXFBZYRWLHFG-SECBINFHSA-N	-1	0	287.293	-0.766	50	0		CBAARM
CCc1nc(=NCCCn2c(=O)ccn(C)c2=O)s[n-]1	ZINC000585092419	884565740	/nfs/dbraw/zinc/56/57/40/884565740.db2.gz	WBUYWAGDLJKHOJ-UHFFFAOYSA-N	-1	0	295.368	-0.115	50	0		CBAARM
CCC[C@]1(CO)CCN(C(=O)c2n[nH]c(=O)[n-]2)C[C@H]1O	ZINC001529198524	922880495	/nfs/dbraw/zinc/88/04/95/922880495.db2.gz	BYTJQMGLUCIIAD-PRHODGIISA-N	-1	0	284.316	-0.504	50	0		CBAARM
CC(C)c1cc(C(=O)NCC(=O)NCCC(=O)[O-])n(C)n1	ZINC000095504508	185000779	/nfs/dbraw/zinc/00/07/79/185000779.db2.gz	VDINWNAOOSKZAD-UHFFFAOYSA-N	-1	0	296.327	-0.136	50	0		CBAARM
CC(C)n1cc(C(=O)NCC(=O)NCCC(=O)[O-])cn1	ZINC000095522200	185002693	/nfs/dbraw/zinc/00/26/93/185002693.db2.gz	WPUJBBNOPPUVEN-UHFFFAOYSA-N	-1	0	282.300	-0.215	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000096930567	185132027	/nfs/dbraw/zinc/13/20/27/185132027.db2.gz	JKACUXCTUOMLPE-DTWKUNHWSA-N	-1	0	291.238	-0.184	50	0		CBAARM
CCC(NCCCn1ccnc1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000085994232	179214428	/nfs/dbraw/zinc/21/44/28/179214428.db2.gz	RZFVHYQLRBCPPC-UHFFFAOYSA-N	-1	0	291.311	-0.107	50	0		CBAARM
O=C([O-])CNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000102653861	185785127	/nfs/dbraw/zinc/78/51/27/185785127.db2.gz	IKFSOFKOJBJPCY-HTQZYQBOSA-N	-1	0	268.269	-0.638	50	0		CBAARM
CC[C@H](C(=O)[O-])N1C(=O)N[C@@H]2[C@@H]1N(C)C(=O)N2C	ZINC000012418515	351334249	/nfs/dbraw/zinc/33/42/49/351334249.db2.gz	WCZAJXBDDXKDGX-DSYKOEDSSA-N	-1	0	256.262	-0.476	50	0		CBAARM
O=C([O-])CSCC(=O)N[C@@H]1CCCCNC1=O	ZINC000000153346	351299188	/nfs/dbraw/zinc/29/91/88/351299188.db2.gz	ARRQGRAGXDWSOC-SSDOTTSWSA-N	-1	0	260.315	-0.411	50	0		CBAARM
CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O	ZINC000000299195	351300324	/nfs/dbraw/zinc/30/03/24/351300324.db2.gz	HLRQJAXOZIIORA-ZRPKBAQZSA-N	-1	0	281.264	-0.584	50	0		CBAARM
C[C@@H](Sc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000000407171	351300359	/nfs/dbraw/zinc/30/03/59/351300359.db2.gz	VPVDJDHIFPLZGA-SCSAIBSYSA-N	-1	0	284.297	-0.475	50	0		CBAARM
Cc1ncc2c(c1O)[C@H](c1c(=O)[nH]c(=O)n(C)c1[O-])OC2	ZINC000000490663	351301216	/nfs/dbraw/zinc/30/12/16/351301216.db2.gz	AYEFTMIFJPPRJO-SNVBAGLBSA-N	-1	0	291.263	-0.192	50	0		CBAARM
CCOC(=O)CNC(=O)CSc1nc(=O)c(C)n[n-]1	ZINC000013118379	351335088	/nfs/dbraw/zinc/33/50/88/351335088.db2.gz	BQVCKBMYMXKZCN-UHFFFAOYSA-N	-1	0	286.313	-0.755	50	0		CBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1	ZINC000001840280	351307007	/nfs/dbraw/zinc/30/70/07/351307007.db2.gz	KEEQUKPFIGVVFR-UHFFFAOYSA-N	-1	0	272.282	-0.834	50	0		CBAARM
O=C([O-])CNC(=O)CCn1nnc2ccccc2c1=O	ZINC000002208107	351308164	/nfs/dbraw/zinc/30/81/64/351308164.db2.gz	AIIZXACQGJADRO-UHFFFAOYSA-N	-1	0	276.252	-0.618	50	0		CBAARM
CSCC[C@@H](C(=O)[O-])N1C(=O)N[C@@H]2NC(=O)N[C@H]21	ZINC000002390804	351308942	/nfs/dbraw/zinc/30/89/42/351308942.db2.gz	ZIJZHICDZSWHSK-ZLUOBGJFSA-N	-1	0	274.302	-0.817	50	0		CBAARM
Nc1nnc2sc(SCC(=O)[O-])nn2c1=O	ZINC000003120324	351311262	/nfs/dbraw/zinc/31/12/62/351311262.db2.gz	FRSWHPYBXULVPO-UHFFFAOYSA-N	-1	0	259.272	-0.695	50	0		CBAARM
C[C@@H](NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc21)C(=O)[O-]	ZINC000003191986	351312543	/nfs/dbraw/zinc/31/25/43/351312543.db2.gz	ARTYSUSQKLAXHH-MUWHJKNJSA-N	-1	0	276.248	-0.119	50	0		CBAARM
N=C1NC(=O)C(CC(=O)NCCCC(=O)[O-])S1	ZINC000004223092	351317779	/nfs/dbraw/zinc/31/77/79/351317779.db2.gz	VXVZGYQIUFVNAZ-RXMQYKEDSA-N	-1	0	259.287	-0.476	50	0		CBAARM
O=C([O-])c1ccc(S(=O)(=O)N2CCNCC2)cc1	ZINC000004219050	351317994	/nfs/dbraw/zinc/31/79/94/351317994.db2.gz	CQNOYCKJLKZRKY-UHFFFAOYSA-N	-1	0	270.310	-0.021	50	0		CBAARM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccs1	ZINC000012336277	351332058	/nfs/dbraw/zinc/33/20/58/351332058.db2.gz	GPQQYSLEPAAZBE-RQJHMYQMSA-N	-1	0	277.323	-0.043	50	0		CBAARM
NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])o1	ZINC000032628991	351379168	/nfs/dbraw/zinc/37/91/68/351379168.db2.gz	JJUHFYRMQKNGEB-ZCFIWIBFSA-N	-1	0	288.281	-0.384	50	0		CBAARM
O=C([O-])c1cnc2sc(N3CCOCC3)nn2c1=O	ZINC000032918757	351381161	/nfs/dbraw/zinc/38/11/61/351381161.db2.gz	IKTSVOUKUVHYQF-UHFFFAOYSA-N	-1	0	282.281	-0.314	50	0		CBAARM
Cn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000032917490	351381937	/nfs/dbraw/zinc/38/19/37/351381937.db2.gz	JIICRKFZVKRUKY-MRVPVSSYSA-N	-1	0	273.314	-0.095	50	0		CBAARM
COCCN1C[C@@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O	ZINC000033442068	351382808	/nfs/dbraw/zinc/38/28/08/351382808.db2.gz	RWQSMRHEJGPGDN-VHSXEESVSA-N	-1	0	284.312	-0.443	50	0		CBAARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(CCO)CC1	ZINC000034926343	351384290	/nfs/dbraw/zinc/38/42/90/351384290.db2.gz	AODQYMOBHVHVCZ-NXEZZACHSA-N	-1	0	270.329	-0.520	50	0		CBAARM
C[C@@H]1CN(Cc2nnnn2CC(=O)[O-])C[C@H](C)O1	ZINC000034925453	351384668	/nfs/dbraw/zinc/38/46/68/351384668.db2.gz	MKUVHPKTZNXZGP-OCAPTIKFSA-N	-1	0	255.278	-0.633	50	0		CBAARM
Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2C(=O)[O-])c1=O	ZINC000036974857	351395691	/nfs/dbraw/zinc/39/56/91/351395691.db2.gz	LKBRVGFMVXGBDX-VIFPVBQESA-N	-1	0	295.295	-0.987	50	0		CBAARM
Nc1nc(=O)n(C[C@@H](O)C(=O)[O-])cc1Br	ZINC000015230582	351341933	/nfs/dbraw/zinc/34/19/33/351341933.db2.gz	ADBQKKDPWMYBIW-SCSAIBSYSA-N	-1	0	278.062	-0.967	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2	ZINC000017820638	351348058	/nfs/dbraw/zinc/34/80/58/351348058.db2.gz	IHKLIUBWIVJJQB-NXEZZACHSA-N	-1	0	287.275	-0.015	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000017822846	351348255	/nfs/dbraw/zinc/34/82/55/351348255.db2.gz	ITXFNELSVHJYDM-RKDXNWHRSA-N	-1	0	273.248	-0.323	50	0		CBAARM
NS(=O)(=O)c1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1	ZINC000019399944	351349452	/nfs/dbraw/zinc/34/94/52/351349452.db2.gz	OQZBIRJTOGZMCR-SSDOTTSWSA-N	-1	0	284.293	-0.229	50	0		CBAARM
Nc1cc2c(cc1-c1nnn(CC(=O)[O-])n1)OCO2	ZINC000020120476	351353809	/nfs/dbraw/zinc/35/38/09/351353809.db2.gz	MXSUAZCDTSYZII-UHFFFAOYSA-N	-1	0	263.213	-0.264	50	0		CBAARM
C[C@@H](CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699279	351436168	/nfs/dbraw/zinc/43/61/68/351436168.db2.gz	VUZQHBRMLBKLLK-DTWKUNHWSA-N	-1	0	292.357	-0.411	50	0		CBAARM
CC(C)N(CC(=O)[O-])C(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000037994180	351411611	/nfs/dbraw/zinc/41/16/11/351411611.db2.gz	IEBROLBBUSNRLO-UHFFFAOYSA-N	-1	0	285.300	-0.362	50	0		CBAARM
C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-]	ZINC000040544277	351416972	/nfs/dbraw/zinc/41/69/72/351416972.db2.gz	PJIPZRMUKZHCDJ-VIFPVBQESA-N	-1	0	279.300	-0.219	50	0		CBAARM
COCCn1cc(N2C[C@H](C(=O)[O-])CC2=O)cn1	ZINC000049540777	351495116	/nfs/dbraw/zinc/49/51/16/351495116.db2.gz	JMMZQBSVBGRQNI-MRVPVSSYSA-N	-1	0	253.258	-0.033	50	0		CBAARM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000054052265	351530670	/nfs/dbraw/zinc/53/06/70/351530670.db2.gz	PGYXAPOHIYIYIX-HTQZYQBOSA-N	-1	0	278.330	-0.658	50	0		CBAARM
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000061721512	351571074	/nfs/dbraw/zinc/57/10/74/351571074.db2.gz	HGMIOBADWSHESY-RITPCOANSA-N	-1	0	267.241	-0.642	50	0		CBAARM
O=C([O-])[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1	ZINC000062118570	351574609	/nfs/dbraw/zinc/57/46/09/351574609.db2.gz	BZACDDNXIOLWAO-SECBINFHSA-N	-1	0	290.279	-0.571	50	0		CBAARM
CC1(C)NC(=O)N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC000062118416	351574656	/nfs/dbraw/zinc/57/46/56/351574656.db2.gz	DSBPKYPEEBRVTF-SSDOTTSWSA-N	-1	0	283.284	-0.750	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)N(CCS(=O)(=O)N2CCCC2)C1	ZINC000065386427	351588818	/nfs/dbraw/zinc/58/88/18/351588818.db2.gz	VGWSGKIDRSPQGW-VIFPVBQESA-N	-1	0	290.341	-0.655	50	0		CBAARM
Cc1[nH]nc(S(=O)(=O)N2CCOCC2)c1C(=O)[O-]	ZINC000070197614	351636507	/nfs/dbraw/zinc/63/65/07/351636507.db2.gz	PDEPPZACCJKPOR-UHFFFAOYSA-N	-1	0	275.286	-0.563	50	0		CBAARM
C[C@@H]1CN(C(=O)Cn2[n-]c(=O)ccc2=O)[C@@H](C)CO1	ZINC000069453639	351628027	/nfs/dbraw/zinc/62/80/27/351628027.db2.gz	AMDHEUMMTDVUMW-DTWKUNHWSA-N	-1	0	267.285	-0.828	50	0		CBAARM
Cn1nccc1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088375910	351724851	/nfs/dbraw/zinc/72/48/51/351724851.db2.gz	NAJZCKKHMLTGJP-PBKGFPTLSA-N	-1	0	265.269	-0.255	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)CCn1ccccc1=O	ZINC000088373553	351725123	/nfs/dbraw/zinc/72/51/23/351725123.db2.gz	ZNYDLJWYTDPNBQ-JTQLQIEISA-N	-1	0	280.280	-0.450	50	0		CBAARM
CN(Cc1[nH]c(=O)[nH]c1C(=O)[O-])Cc1nccn1C	ZINC000097602520	351779031	/nfs/dbraw/zinc/77/90/31/351779031.db2.gz	DIMGYYHQBFNDMM-UHFFFAOYSA-N	-1	0	265.273	-0.233	50	0		CBAARM
CCC(NC[C@H]1CCCO1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000101049651	351781343	/nfs/dbraw/zinc/78/13/43/351781343.db2.gz	HJQUSVDIBYXNND-SSDOTTSWSA-N	-1	0	267.285	-0.215	50	0		CBAARM
Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])cn1	ZINC000219383939	352237154	/nfs/dbraw/zinc/23/71/54/352237154.db2.gz	OLZDMPFNACHTLE-NXEZZACHSA-N	-1	0	283.284	-0.591	50	0		CBAARM
Cc1nonc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000219363322	352237378	/nfs/dbraw/zinc/23/73/78/352237378.db2.gz	NKUWTKLIHHBVLO-HTQZYQBOSA-N	-1	0	285.256	-0.633	50	0		CBAARM
CN(C)S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000195505572	352227902	/nfs/dbraw/zinc/22/79/02/352227902.db2.gz	JUXXYUXUTHDXMY-UHFFFAOYSA-N	-1	0	284.301	-0.826	50	0		CBAARM
Nc1nnnn1CC(=O)N[C@H](CC(=O)[O-])c1ccccc1	ZINC000215749355	352230808	/nfs/dbraw/zinc/23/08/08/352230808.db2.gz	HJHCEUCBSTVRGQ-SECBINFHSA-N	-1	0	290.283	-0.413	50	0		CBAARM
CCCn1ccnc1CNC(=O)CC[C@@H]1NC(=O)NC1=O	ZINC000223528995	352242704	/nfs/dbraw/zinc/24/27/04/352242704.db2.gz	XBSDBZLJUQKPTB-VIFPVBQESA-N	-1	0	293.327	-0.103	50	0		CBAARM
CC[C@H](C(=O)[O-])N1C(=O)N[C@H]2[C@H]1N(C)C(=O)N2C	ZINC000245257064	352318476	/nfs/dbraw/zinc/31/84/76/352318476.db2.gz	WCZAJXBDDXKDGX-QYNIQEEDSA-N	-1	0	256.262	-0.476	50	0		CBAARM
CN(CC(=O)N1CCCC[C@@H]1C(=O)[O-])S(C)(=O)=O	ZINC000262532138	352425260	/nfs/dbraw/zinc/42/52/60/352425260.db2.gz	IONFDKDATQYBGQ-MRVPVSSYSA-N	-1	0	278.330	-0.657	50	0		CBAARM
Cn1nnc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc21	ZINC000262903765	352435707	/nfs/dbraw/zinc/43/57/07/352435707.db2.gz	BSMHFVFZYDAFBH-LLVKDONJSA-N	-1	0	290.279	-0.106	50	0		CBAARM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000299747451	352728844	/nfs/dbraw/zinc/72/88/44/352728844.db2.gz	DAXPCFGWWGFHLH-GARJFASQSA-N	-1	0	287.312	-0.118	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000328595434	352784489	/nfs/dbraw/zinc/78/44/89/352784489.db2.gz	VDGLLPWRVKPANJ-IUCAKERBSA-N	-1	0	288.325	-0.780	50	0		CBAARM
CN1CC[C@@H](C(=O)N(CC(=O)[O-])C2CC2)CC1=O	ZINC000178048898	137641002	/nfs/dbraw/zinc/64/10/02/137641002.db2.gz	LQTVCISJAFHEOX-MRVPVSSYSA-N	-1	0	254.286	-0.070	50	0		CBAARM
Cc1c(C(=O)N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)cnn1C	ZINC000426395948	354241890	/nfs/dbraw/zinc/24/18/90/354241890.db2.gz	LXCNHQCBCHPYGI-LURJTMIESA-N	-1	0	292.299	-0.035	50	0		CBAARM
CN1C(=O)C[C@H](C(=O)NCCCc2nnn[n-]2)C1(C)C	ZINC000426525895	354242733	/nfs/dbraw/zinc/24/27/33/354242733.db2.gz	JLIXDYDPCKDQDH-MRVPVSSYSA-N	-1	0	280.332	-0.495	50	0		CBAARM
O=C([O-])CN1CCN(C(=O)Cc2ccc(O)cc2)CC1=O	ZINC000426656927	354244301	/nfs/dbraw/zinc/24/43/01/354244301.db2.gz	JOBKANOWDCSTKP-UHFFFAOYSA-N	-1	0	292.291	-0.310	50	0		CBAARM
NC(=O)[C@@]1(NC(=O)c2ccc(C(=O)[O-])cc2)CCOC1	ZINC000580961738	355002586	/nfs/dbraw/zinc/00/25/86/355002586.db2.gz	CBFRRQDKMGBWKV-CYBMUJFWSA-N	-1	0	278.264	-0.241	50	0		CBAARM
NC(=O)[C@]1(NC(=O)c2ccc(C(=O)[O-])cc2)CCOC1	ZINC000580961739	355002774	/nfs/dbraw/zinc/00/27/74/355002774.db2.gz	CBFRRQDKMGBWKV-ZDUSSCGKSA-N	-1	0	278.264	-0.241	50	0		CBAARM
CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1[n-]nnc1=N	ZINC000584886993	355041693	/nfs/dbraw/zinc/04/16/93/355041693.db2.gz	VRLIHFHCJIMBDP-BRPSZJMVSA-N	-1	0	266.305	-0.746	50	0		CBAARM
CCCC[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)[O-]	ZINC000585138609	355046277	/nfs/dbraw/zinc/04/62/77/355046277.db2.gz	NHXYTGQDSLTITQ-RQJHMYQMSA-N	-1	0	271.273	-0.656	50	0		CBAARM
O=c1c2ncccc2ncn1CCCc1nnn[n-]1	ZINC000584895081	355044110	/nfs/dbraw/zinc/04/41/10/355044110.db2.gz	IYSRNRJQRLCCOT-UHFFFAOYSA-N	-1	0	257.257	-0.063	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)N(NC(=O)C(=O)Nc2ccccc2)C1	ZINC000585122816	355046886	/nfs/dbraw/zinc/04/68/86/355046886.db2.gz	XBKALLCFKAYGNJ-MRVPVSSYSA-N	-1	0	291.263	-0.411	50	0		CBAARM
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)on1	ZINC000599202800	355472346	/nfs/dbraw/zinc/47/23/46/355472346.db2.gz	IPAWDEFYPVYEEF-ZETCQYMHSA-N	-1	0	290.297	-0.082	50	0		CBAARM
CN1CCC[C@H](NC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1=O	ZINC000626776127	356548894	/nfs/dbraw/zinc/54/88/94/356548894.db2.gz	HYXDVSLPVVDWKQ-DTWKUNHWSA-N	-1	0	285.300	-0.898	50	0		CBAARM
O=C([O-])CN(CC(=O)NN1CCOCC1)c1ccccc1	ZINC000034926514	304065809	/nfs/dbraw/zinc/06/58/09/304065809.db2.gz	BJZKMEIFROEPIE-UHFFFAOYSA-N	-1	0	293.323	-0.059	50	0		CBAARM
O=C([O-])CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000178190019	304069237	/nfs/dbraw/zinc/06/92/37/304069237.db2.gz	IRLSECNIQSLJLP-UHNVWZDZSA-N	-1	0	268.191	-0.356	50	0		CBAARM
O=C([O-])CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000178190001	304069009	/nfs/dbraw/zinc/06/90/09/304069009.db2.gz	IRLSECNIQSLJLP-WHFBIAKZSA-N	-1	0	268.191	-0.356	50	0		CBAARM
O=C([O-])CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299748525	200856171	/nfs/dbraw/zinc/85/61/71/200856171.db2.gz	HIQBICXUBBFFNF-ZETCQYMHSA-N	-1	0	266.257	-0.647	50	0		CBAARM
CCC1(CC)NC(=O)N(CC(=O)NCCC(=O)[O-])C1=O	ZINC000299750555	200856226	/nfs/dbraw/zinc/85/62/26/200856226.db2.gz	NVTJMXWQXMZJOS-UHFFFAOYSA-N	-1	0	285.300	-0.312	50	0		CBAARM
O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1c[nH]c(=O)cn1	ZINC000072476562	304162652	/nfs/dbraw/zinc/16/26/52/304162652.db2.gz	VAYDXZSFIIOPOI-JTQLQIEISA-N	-1	0	289.251	-0.683	50	0		CBAARM
CCN(CC(=O)[O-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000038016307	284407331	/nfs/dbraw/zinc/40/73/31/284407331.db2.gz	KLBLHLCSKQCEDB-VIFPVBQESA-N	-1	0	292.357	-0.266	50	0		CBAARM
CC(C)(NS(C)(=O)=O)C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262415796	220251406	/nfs/dbraw/zinc/25/14/06/220251406.db2.gz	JYRJSINKSJXEFQ-QMMMGPOBSA-N	-1	0	292.357	-0.363	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1	ZINC000583650628	374363492	/nfs/dbraw/zinc/36/34/92/374363492.db2.gz	UDUKYOGVGIANDN-NSHDSACASA-N	-1	0	290.279	-0.257	50	0		CBAARM
C[C@@H](Sc1nc2c(n1C)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000008716902	296213933	/nfs/dbraw/zinc/21/39/33/296213933.db2.gz	VSIDCPHTQCMSRV-RXMQYKEDSA-N	-1	0	298.324	-0.464	50	0		CBAARM
NC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1	ZINC000262320426	190052757	/nfs/dbraw/zinc/05/27/57/190052757.db2.gz	RRNRGOBLENYKBZ-SNVBAGLBSA-N	-1	0	278.264	-0.289	50	0		CBAARM
CCn1nccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000262472361	190056102	/nfs/dbraw/zinc/05/61/02/190056102.db2.gz	UPOXSVXKYCUPLN-ZETCQYMHSA-N	-1	0	261.303	-0.003	50	0		CBAARM
O=C([O-])[C@H]1[C@H]2C=C[C@@]3(O2)[C@H]2OCCCN2C(=O)[C@@H]13	ZINC000004046861	304210627	/nfs/dbraw/zinc/21/06/27/304210627.db2.gz	IUOYQEHMOHDDDU-DGMBBCJWSA-N	-1	0	251.238	-0.401	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000072329982	304248880	/nfs/dbraw/zinc/24/88/80/304248880.db2.gz	BGDPPRWLIUKOOP-NXEZZACHSA-N	-1	0	271.294	-0.045	50	0		CBAARM
CCN(Cc1c[nH]nc1C(=O)[O-])[C@H]1COC[C@@H]1O	ZINC000215065652	285125109	/nfs/dbraw/zinc/12/51/09/285125109.db2.gz	OIZVIWKVACQXCB-IUCAKERBSA-N	-1	0	255.274	-0.311	50	0		CBAARM
CCCCn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)[O-])C(=O)N2	ZINC000003268050	169874178	/nfs/dbraw/zinc/87/41/78/169874178.db2.gz	XBWXLGKVOUZYKI-ZETCQYMHSA-N	-1	0	295.295	-0.143	50	0		CBAARM
O=C([O-])c1ccc(NC(=O)C[C@H]2NC(=O)NC2=O)cc1	ZINC000004717907	170004156	/nfs/dbraw/zinc/00/41/56/170004156.db2.gz	IXBMYXAWEMTDPC-MRVPVSSYSA-N	-1	0	277.236	-0.079	50	0		CBAARM
CCOC(=O)C1CCN(C(=O)COCC(=O)[O-])CC1	ZINC000004724899	170005831	/nfs/dbraw/zinc/00/58/31/170005831.db2.gz	FYWCWZNHQNBURX-UHFFFAOYSA-N	-1	0	273.285	-0.111	50	0		CBAARM
Cc1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000006070968	170173972	/nfs/dbraw/zinc/17/39/72/170173972.db2.gz	JPAUCQAJHLSMQW-XPORZQOISA-N	-1	0	284.264	-0.734	50	0	endogenous,in-man	CBAARM
O=C([O-])CSc1nc2c(cnn2CCO)c(=O)[nH]1	ZINC000007418212	170284168	/nfs/dbraw/zinc/28/41/68/170284168.db2.gz	WKIHTQMMPWJWNY-UHFFFAOYSA-N	-1	0	270.270	-0.711	50	0		CBAARM
NS(=O)(=O)c1ccc(Nc2nncc(=O)[n-]2)cc1	ZINC000009682992	170384276	/nfs/dbraw/zinc/38/42/76/170384276.db2.gz	YHVFIXQIAWLGID-UHFFFAOYSA-N	-1	0	267.270	-0.032	50	0		CBAARM
CN(C)c1nc2n(c(=O)n1)CCN2C(=S)[S-]	ZINC000036126791	411624811	/nfs/dbraw/zinc/62/48/11/411624811.db2.gz	DSGPQBSFHAHPJF-UHFFFAOYSA-N	-1	0	257.344	-0.261	50	0		CBAARM
CCOC(=O)CC(=O)CSc1n[nH]c(=O)[n-]c1=O	ZINC000013683321	170577680	/nfs/dbraw/zinc/57/76/80/170577680.db2.gz	GUWWCSDGACHNRJ-UHFFFAOYSA-N	-1	0	273.270	-0.515	50	0		CBAARM
O=C([O-])[C@H]1CCCN(C(=O)CCn2cncn2)C1	ZINC000020258834	171114095	/nfs/dbraw/zinc/11/40/95/171114095.db2.gz	NMUGKSBMFBSUGE-VIFPVBQESA-N	-1	0	252.274	-0.009	50	0		CBAARM
Cn1cnc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000020286668	171133555	/nfs/dbraw/zinc/13/35/55/171133555.db2.gz	GIICYIYUDMNOPJ-UHFFFAOYSA-N	-1	0	273.314	-0.095	50	0		CBAARM
O=C([O-])[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O	ZINC000036974863	172842239	/nfs/dbraw/zinc/84/22/39/172842239.db2.gz	KMPHVVTWCWRTKO-MRVPVSSYSA-N	-1	0	281.268	-0.998	50	0		CBAARM
COCCN1C[C@@H](C(=O)NCCC(=O)[O-])CC1=O	ZINC000037434029	173204633	/nfs/dbraw/zinc/20/46/33/173204633.db2.gz	MELXEFKXTYYXNZ-QMMMGPOBSA-N	-1	0	258.274	-0.928	50	0		CBAARM
CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000038022437	174003759	/nfs/dbraw/zinc/00/37/59/174003759.db2.gz	FGJLMWXRJCZDMM-VIFPVBQESA-N	-1	0	292.357	-0.266	50	0		CBAARM
O=C(CN1CSCC1=O)N[C@]1(C(=O)[O-])CCSC1	ZINC000043510760	175060267	/nfs/dbraw/zinc/06/02/67/175060267.db2.gz	TXNKUZBPEASMNS-SNVBAGLBSA-N	-1	0	290.366	-0.404	50	0		CBAARM
CC(C)(C)C(=O)NCC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000043700987	175098268	/nfs/dbraw/zinc/09/82/68/175098268.db2.gz	ANJOURVXULMYQM-QMMMGPOBSA-N	-1	0	272.301	-0.539	50	0		CBAARM
Cc1nc2ncnn2c2ccn(CC(=O)[O-])c(=O)c12	ZINC000072117890	176319020	/nfs/dbraw/zinc/31/90/20/176319020.db2.gz	RAYKEDUKCDSHAD-UHFFFAOYSA-N	-1	0	259.225	-0.168	50	0		CBAARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCCN1CCOCC1	ZINC000072406476	176397750	/nfs/dbraw/zinc/39/77/50/176397750.db2.gz	RIKKLPDKTQJXPU-NXEZZACHSA-N	-1	0	270.329	-0.208	50	0		CBAARM
Cc1nn(C)c(C)c1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000049864780	544420566	/nfs/dbraw/zinc/42/05/66/544420566.db2.gz	OHMZDXISRFCEKH-VIFPVBQESA-N	-1	0	267.285	-0.037	50	0		CBAARM
CCc1nn2c([n-]1)nc(C[C@H]1CCS(=O)(=O)C1)cc2=O	ZINC000101872211	419479841	/nfs/dbraw/zinc/47/98/41/419479841.db2.gz	UJTBMMBDHCAPQP-MRVPVSSYSA-N	-1	0	296.352	-0.043	50	0		CBAARM
COc1cn(CC(=O)Nc2nn[nH]n2)c(C)cc1=O	ZINC000263588216	419602421	/nfs/dbraw/zinc/60/24/21/419602421.db2.gz	QLYRUARPTJNBSQ-UHFFFAOYSA-N	-1	0	264.245	-0.683	50	0		CBAARM
O=C([O-])CC[C@H]1CCCN1S(=O)(=O)N1CCOCC1	ZINC000394039185	544579434	/nfs/dbraw/zinc/57/94/34/544579434.db2.gz	OFIKQZIGAMRQKQ-SNVBAGLBSA-N	-1	0	292.357	-0.107	50	0		CBAARM
CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCOC)C1	ZINC000685940588	545083103	/nfs/dbraw/zinc/08/31/03/545083103.db2.gz	DFBQRDRSHXKSNW-IUCAKERBSA-N	-1	0	272.301	-0.539	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000340195171	278062638	/nfs/dbraw/zinc/06/26/38/278062638.db2.gz	BKBUNFDMPHRABG-DTWKUNHWSA-N	-1	0	272.326	-0.159	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000178931044	289487766	/nfs/dbraw/zinc/48/77/66/289487766.db2.gz	DIZJDWUFEQBMOM-NTSWFWBYSA-N	-1	0	282.218	-0.014	50	0		CBAARM
CN(CCCC(=O)[O-])C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000036980407	289612693	/nfs/dbraw/zinc/61/26/93/289612693.db2.gz	GRODTTYIFKCLCL-VIFPVBQESA-N	-1	0	292.357	-0.266	50	0		CBAARM
CN1C[C@@]2([N+](=O)[O-])C=C(C(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000004931996	290297009	/nfs/dbraw/zinc/29/70/09/290297009.db2.gz	RVLTVEXRDKIJPA-ZJUUUORDSA-N	-1	0	271.229	-0.232	50	0		CBAARM
C[C@H]1COCCN1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000106104033	300347761	/nfs/dbraw/zinc/34/77/61/300347761.db2.gz	KDNQVQWMYZUJST-UWVGGRQHSA-N	-1	0	292.357	-0.109	50	0		CBAARM
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000036983295	300889431	/nfs/dbraw/zinc/88/94/31/300889431.db2.gz	LQXCJUFZXPYQQX-LURJTMIESA-N	-1	0	292.338	-0.017	50	0		CBAARM
Cc1nn(C)c(C)c1C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088376120	302737027	/nfs/dbraw/zinc/73/70/27/302737027.db2.gz	GSWDTKPQGMWRBQ-VIFPVBQESA-N	-1	0	267.285	-0.037	50	0		CBAARM
O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cn[nH]n1	ZINC000534638515	328334918	/nfs/dbraw/zinc/33/49/18/328334918.db2.gz	PCFFHBRSPFHNFO-UWVGGRQHSA-N	-1	0	251.290	-0.602	50	0		CBAARM
O=C([O-])CN1CCN(CC[C@@H]2CCOC2)CC1=O	ZINC000534651648	328337437	/nfs/dbraw/zinc/33/74/37/328337437.db2.gz	YSIDBAMSLIRRHE-SNVBAGLBSA-N	-1	0	256.302	-0.358	50	0		CBAARM
Cc1ccc(O)c(CN2CCN(CC(=O)[O-])C(=O)C2)n1	ZINC000534647876	328342950	/nfs/dbraw/zinc/34/29/50/328342950.db2.gz	RSEYATHRSKSCQB-UHFFFAOYSA-N	-1	0	279.296	-0.176	50	0		CBAARM
CC1(C)SC[C@H](C(=O)NCCCC(=O)[O-])NC1=O	ZINC000534656617	328340252	/nfs/dbraw/zinc/34/02/52/328340252.db2.gz	OJLAGTIZYOHWBW-SSDOTTSWSA-N	-1	0	274.342	-0.022	50	0		CBAARM
C[C@@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)c1cncc(O)c1	ZINC000534671184	328347537	/nfs/dbraw/zinc/34/75/37/328347537.db2.gz	PZRHPPUNCMFIPH-MRVPVSSYSA-N	-1	0	293.279	-0.455	50	0		CBAARM
CCN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1ccnn1C	ZINC000159898409	330381789	/nfs/dbraw/zinc/38/17/89/330381789.db2.gz	KRLHQJCOCRCHJJ-ZJUUUORDSA-N	-1	0	253.258	-0.207	50	0		CBAARM
NC1=NC(=O)C(CCCCC(=O)NCC(=O)[O-])C(=O)N1	ZINC000005494305	534748585	/nfs/dbraw/zinc/74/85/85/534748585.db2.gz	BWIHLEXWTQVRBX-UHFFFAOYSA-N	-1	0	284.272	-0.616	50	0		CBAARM
CC(C)(NC(=O)c1cnn2ccncc12)c1nnn[n-]1	ZINC000356186752	535246547	/nfs/dbraw/zinc/24/65/47/535246547.db2.gz	CDYUVYPNJFWFDZ-UHFFFAOYSA-N	-1	0	272.272	-0.093	50	0		CBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C(=O)[O-])CC2)C1	ZINC000203653449	570334789	/nfs/dbraw/zinc/33/47/89/570334789.db2.gz	KPCSFFZJSSSMEX-MRVPVSSYSA-N	-1	0	290.341	-0.609	50	0		CBAARM
Cc1cc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)no1	ZINC000257671001	600929106	/nfs/dbraw/zinc/92/91/06/600929106.db2.gz	HAGVFKVPFNIPCS-VIFPVBQESA-N	-1	0	254.242	-0.162	50	0		CBAARM
CS(=O)(=O)NCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000389024171	790561156	/nfs/dbraw/zinc/56/11/56/790561156.db2.gz	HDSZIGITKLTRST-VIFPVBQESA-N	-1	0	292.357	-0.361	50	0		CBAARM
Cn1nccc1C(=O)N1CCSC[C@@H]1c1nnn[n-]1	ZINC000584908715	790634988	/nfs/dbraw/zinc/63/49/88/790634988.db2.gz	FGEHJAGZERVOFR-MRVPVSSYSA-N	-1	0	279.329	-0.137	50	0		CBAARM
O=C([N-]Cc1cn([C@H]2CCOC2=O)nn1)C(F)(F)F	ZINC000585138860	790636107	/nfs/dbraw/zinc/63/61/07/790636107.db2.gz	BXWZWBAXRSSQIH-LURJTMIESA-N	-1	0	278.190	-0.055	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NC[C@H]1COc2ccccc2O1	ZINC000827864073	790871323	/nfs/dbraw/zinc/87/13/23/790871323.db2.gz	SVNKGYJERWXDEF-QMMMGPOBSA-N	-1	0	290.283	-0.958	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N[C@@H]1CCc2ccccc2C1	ZINC000952868210	790933986	/nfs/dbraw/zinc/93/39/86/790933986.db2.gz	FMBILXKYEWLLOM-LLVKDONJSA-N	-1	0	272.312	-0.241	50	0		CBAARM
CN(CC(=O)NCc1nnn[n-]1)Cc1cccnc1	ZINC000952868235	790934782	/nfs/dbraw/zinc/93/47/82/790934782.db2.gz	GRICQMVYYDGRLY-UHFFFAOYSA-N	-1	0	261.289	-0.657	50	0		CBAARM
Cc1cc([C@H]2CCCN2C(=O)Cn2[n-]nnc2=N)on1	ZINC001506395565	921573970	/nfs/dbraw/zinc/57/39/70/921573970.db2.gz	AQVOWSKVHPZDQQ-MRVPVSSYSA-N	-1	0	277.288	-0.254	50	0		CBAARM
Cc1cc(CNC(=O)Cn2[n-]nnc2=N)cnc1C	ZINC001506398052	921574658	/nfs/dbraw/zinc/57/46/58/921574658.db2.gz	JDLWAWQWYYEEIT-UHFFFAOYSA-N	-1	0	261.289	-0.586	50	0		CBAARM
Cc1nn[nH]c1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-]	ZINC000223880022	230399273	/nfs/dbraw/zinc/39/92/73/230399273.db2.gz	KQJPZEBHXNPGAP-SFYZADRCSA-N	-1	0	284.272	-0.898	50	0		CBAARM
O=C([O-])c1csc(CNC(=O)[C@H]2COCCO2)n1	ZINC000090932555	180066839	/nfs/dbraw/zinc/06/68/39/180066839.db2.gz	ATBAKAWQGRTKCY-SSDOTTSWSA-N	-1	0	272.282	-0.127	50	0		CBAARM
Cn1cc(C(=O)[O-])c(C(=O)Nc2cnn(C)c2C(N)=O)n1	ZINC000012397544	351333965	/nfs/dbraw/zinc/33/39/65/351333965.db2.gz	MNRQUTZWWICOIC-UHFFFAOYSA-N	-1	0	292.255	-0.797	50	0		CBAARM
Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000012504948	351334142	/nfs/dbraw/zinc/33/41/42/351334142.db2.gz	GCSWXSUTQUVYHY-UHFFFAOYSA-N	-1	0	267.285	-0.068	50	0		CBAARM
CC(C)COC(=O)[C@H](C)Nc1n[nH]c(=O)[n-]c1=O	ZINC000000128242	351299389	/nfs/dbraw/zinc/29/93/89/351299389.db2.gz	HZQPTGTZWVPZLS-LURJTMIESA-N	-1	0	256.262	-0.542	50	0		CBAARM
O=C([O-])CSCC(=O)N[C@H]1CCCCNC1=O	ZINC000000153341	351299618	/nfs/dbraw/zinc/29/96/18/351299618.db2.gz	ARRQGRAGXDWSOC-ZETCQYMHSA-N	-1	0	260.315	-0.411	50	0		CBAARM
C[C@H](Sc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)[O-]	ZINC000000407170	351300059	/nfs/dbraw/zinc/30/00/59/351300059.db2.gz	VPVDJDHIFPLZGA-BYPYZUCNSA-N	-1	0	284.297	-0.475	50	0		CBAARM
O=C(CNc1n[nH]c(=O)[n-]c1=O)NCc1ccccc1	ZINC000000261156	351300278	/nfs/dbraw/zinc/30/02/78/351300278.db2.gz	KEQFHHVSGGOWLU-UHFFFAOYSA-N	-1	0	275.268	-0.814	50	0		CBAARM
CC(=O)NCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000013071401	351334839	/nfs/dbraw/zinc/33/48/39/351334839.db2.gz	VKDREXOEGGSBJY-UHFFFAOYSA-N	-1	0	286.309	-0.201	50	0		CBAARM
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000001728284	351305739	/nfs/dbraw/zinc/30/57/39/351305739.db2.gz	LESILPKULCPDIL-UHFFFAOYSA-N	-1	0	286.309	-0.526	50	0		CBAARM
Cn1c(=O)c(Br)c(C(=O)[O-])n(C)c1=O	ZINC000002379749	351308073	/nfs/dbraw/zinc/30/80/73/351308073.db2.gz	YLHNSMAGWZXPOQ-UHFFFAOYSA-N	-1	0	263.047	-0.455	50	0		CBAARM
COC(=O)CCCCCNc1n[nH]c(=O)[n-]c1=O	ZINC000002475921	351309167	/nfs/dbraw/zinc/30/91/67/351309167.db2.gz	IZFNHKBTFJLFLB-UHFFFAOYSA-N	-1	0	256.262	-0.397	50	0		CBAARM
O=C([O-])c1nccnc1C(=O)NCCCN1CCOCC1	ZINC000003141601	351311602	/nfs/dbraw/zinc/31/16/02/351311602.db2.gz	MPBHKXGCIGGAEJ-UHFFFAOYSA-N	-1	0	294.311	-0.373	50	0		CBAARM
Cn1c2[nH]c(SCC(=O)[O-])nc2c(=O)[nH]c1=O	ZINC000003197434	351313186	/nfs/dbraw/zinc/31/31/86/351313186.db2.gz	MOEUHAPOSKPUNB-UHFFFAOYSA-N	-1	0	256.243	-0.873	50	0		CBAARM
CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000003355865	351313210	/nfs/dbraw/zinc/31/32/10/351313210.db2.gz	FXMOABSIRKWMHY-UHFFFAOYSA-N	-1	0	286.309	-0.249	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000004459281	351318905	/nfs/dbraw/zinc/31/89/05/351318905.db2.gz	CFTPNZHESBDDTO-VHSXEESVSA-N	-1	0	287.275	-0.015	50	0		CBAARM
O=C1[N-]C(=O)C(=CNc2ccc([N+](=O)[O-])cc2O)C(=O)N1	ZINC000006996988	351325636	/nfs/dbraw/zinc/32/56/36/351325636.db2.gz	VGBNIIAKKSGODQ-UHFFFAOYSA-N	-1	0	292.207	-0.038	50	0		CBAARM
O=CN1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000032104602	351378068	/nfs/dbraw/zinc/37/80/68/351378068.db2.gz	OXCVWCFQSKJFMI-UHFFFAOYSA-N	-1	0	264.241	-0.911	50	0		CBAARM
CN(CCO)S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000032627624	351379404	/nfs/dbraw/zinc/37/94/04/351379404.db2.gz	ILBYWGZPGJHUOQ-UHFFFAOYSA-N	-1	0	259.283	-0.002	50	0		CBAARM
O=C([O-])[C@H]1CCCN1C(=O)Cn1nc2ccccn2c1=O	ZINC000036973975	351395273	/nfs/dbraw/zinc/39/52/73/351395273.db2.gz	JLVRIZCWZGXCAK-SECBINFHSA-N	-1	0	290.279	-0.428	50	0		CBAARM
CCCOC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000013543997	351337354	/nfs/dbraw/zinc/33/73/54/351337354.db2.gz	SVUJGTODIDAELQ-YFKPBYRVSA-N	-1	0	259.287	-0.108	50	0		CBAARM
O=C([O-])c1sccc1S(=O)(=O)NN1CCOCC1	ZINC000015424124	351341225	/nfs/dbraw/zinc/34/12/25/351341225.db2.gz	LSKDOHHPHVPXFF-UHFFFAOYSA-N	-1	0	292.338	-0.028	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000018173379	351347938	/nfs/dbraw/zinc/34/79/38/351347938.db2.gz	JKACUXCTUOMLPE-IUCAKERBSA-N	-1	0	291.238	-0.184	50	0		CBAARM
Cc1nc2[n-]c(C(=O)N3CCOCC3)nn2c(=O)c1C	ZINC000018221990	351348217	/nfs/dbraw/zinc/34/82/17/351348217.db2.gz	JNTSFVBFRIUTPX-UHFFFAOYSA-N	-1	0	277.284	-0.493	50	0		CBAARM
CC(C)N(CC(=O)[O-])C(=O)CN1CSCC1=O	ZINC000037994157	351411653	/nfs/dbraw/zinc/41/16/53/351411653.db2.gz	ZHFWMAZSIMZAQT-UHFFFAOYSA-N	-1	0	260.315	-0.159	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000038020115	351412930	/nfs/dbraw/zinc/41/29/30/351412930.db2.gz	KLUHVINAFXEGNZ-UHFFFAOYSA-N	-1	0	285.300	-0.360	50	0		CBAARM
O=C([O-])CNC(=O)Cn1nc2c(cc1=O)CCCC2	ZINC000049545943	351494980	/nfs/dbraw/zinc/49/49/80/351494980.db2.gz	LCVHGMNKNBGXPB-UHFFFAOYSA-N	-1	0	265.269	-0.677	50	0		CBAARM
O=C([O-])CSCC(=O)NN1CCSCC1	ZINC000048524397	351473566	/nfs/dbraw/zinc/47/35/66/351473566.db2.gz	WZDQTINBFJTVKS-UHFFFAOYSA-N	-1	0	250.345	-0.116	50	0		CBAARM
O=C(CCN1CCCCO1)NCCCc1nnn[n-]1	ZINC000055132558	351541064	/nfs/dbraw/zinc/54/10/64/351541064.db2.gz	VWLQJQABTXZJSK-UHFFFAOYSA-N	-1	0	268.321	-0.334	50	0		CBAARM
Cc1[nH]c(=O)[nH]c(=O)c1CCc1n[n-]c(=S)o1	ZINC000061957872	351573578	/nfs/dbraw/zinc/57/35/78/351573578.db2.gz	GDCUVCXZDRCQDM-UHFFFAOYSA-N	-1	0	254.271	-0.171	50	0		CBAARM
O=C([O-])[C@H]1CCN(C(=O)CN2CSCC2=O)C1	ZINC000062118370	351574734	/nfs/dbraw/zinc/57/47/34/351574734.db2.gz	YKLCRUDSBQWYTR-ZETCQYMHSA-N	-1	0	258.299	-0.548	50	0		CBAARM
CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C(=O)[O-]	ZINC000067954822	351612695	/nfs/dbraw/zinc/61/26/95/351612695.db2.gz	LJFRRDRZIRLZLJ-SNVBAGLBSA-N	-1	0	278.312	-0.261	50	0		CBAARM
Cc1cc2nc(CN3CCC(O)(CO)CC3)cc(=O)n2[n-]1	ZINC000067954603	351612801	/nfs/dbraw/zinc/61/28/01/351612801.db2.gz	BTPXKCCSTPJBTR-UHFFFAOYSA-N	-1	0	292.339	-0.350	50	0		CBAARM
C[C@H](c1n[nH]c(=O)n1CCC(=O)[O-])N1CCOCC1	ZINC000065394771	351588758	/nfs/dbraw/zinc/58/87/58/351588758.db2.gz	ADNPLXJCOCDHAZ-MRVPVSSYSA-N	-1	0	270.289	-0.561	50	0		CBAARM
Cn1nnnc1SCCN1C[C@H](C(=O)[O-])CC1=O	ZINC000065534076	351592623	/nfs/dbraw/zinc/59/26/23/351592623.db2.gz	BISLFVCRJZZYKZ-ZCFIWIBFSA-N	-1	0	271.302	-0.765	50	0		CBAARM
C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)[C@@H]1CCCO1	ZINC000065608408	351593398	/nfs/dbraw/zinc/59/33/98/351593398.db2.gz	LVTVLPDIQDHZJS-BDAKNGLRSA-N	-1	0	267.285	-0.780	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2nc3ccccc3n2)CCO1	ZINC000072433521	351646580	/nfs/dbraw/zinc/64/65/80/351646580.db2.gz	ITHCXULREICRTE-LLVKDONJSA-N	-1	0	290.279	-0.257	50	0		CBAARM
Cn1nccc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088375908	351725089	/nfs/dbraw/zinc/72/50/89/351725089.db2.gz	NAJZCKKHMLTGJP-VMZHVLLKSA-N	-1	0	265.269	-0.255	50	0		CBAARM
Cc1cc2nc(C(=O)NCc3nnn[n-]3)cc(C)n2n1	ZINC000097732675	351779407	/nfs/dbraw/zinc/77/94/07/351779407.db2.gz	RTUXUJVKXOLXLS-UHFFFAOYSA-N	-1	0	272.272	-0.211	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000100047736	351780256	/nfs/dbraw/zinc/78/02/56/351780256.db2.gz	CFTPNZHESBDDTO-NXEZZACHSA-N	-1	0	287.275	-0.015	50	0		CBAARM
CCOC(=O)C(Sc1n[nH]c(=O)[n-]c1=O)=C(C)O	ZINC000100283524	351780896	/nfs/dbraw/zinc/78/08/96/351780896.db2.gz	QTCRRSZQVNDFQE-SNAWJCMRSA-N	-1	0	273.270	-0.097	50	0		CBAARM
O=C([O-])c1cccc(CN2CCOC[C@@H]2CO)n1	ZINC000102546033	351784966	/nfs/dbraw/zinc/78/49/66/351784966.db2.gz	QRGWOQSWRQXAKG-JTQLQIEISA-N	-1	0	252.270	-0.027	50	0		CBAARM
Cc1cc2ncc(C(=O)N3CCOC[C@H](O)C3)c(=O)n2[n-]1	ZINC000102830627	351785238	/nfs/dbraw/zinc/78/52/38/351785238.db2.gz	GAHRTLCOTOZSME-SECBINFHSA-N	-1	0	292.295	-0.836	50	0		CBAARM
Cn1nccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000095335340	351769358	/nfs/dbraw/zinc/76/93/58/351769358.db2.gz	SZUGQRPEAKPSNS-MRVPVSSYSA-N	-1	0	261.289	-0.047	50	0		CBAARM
CCc1nc(C[C@@H](C)NC(C)=O)n(CC(=O)[O-])n1	ZINC000096151575	351773291	/nfs/dbraw/zinc/77/32/91/351773291.db2.gz	UJRVLBLWBKCBGV-SSDOTTSWSA-N	-1	0	254.290	-0.008	50	0		CBAARM
O=C([O-])CNC(=O)c1ccc(N2CCCC2)nn1	ZINC000154261050	351945762	/nfs/dbraw/zinc/94/57/62/351945762.db2.gz	NGHBMXUBEDKIEM-UHFFFAOYSA-N	-1	0	250.258	-0.109	50	0		CBAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cn[nH]c1	ZINC000223595681	352242364	/nfs/dbraw/zinc/24/23/64/352242364.db2.gz	HSIHPHVJSKMPIS-BDAKNGLRSA-N	-1	0	269.257	-0.602	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCO1	ZINC000262895522	352435899	/nfs/dbraw/zinc/43/58/99/352435899.db2.gz	AWEALEIICPBFOQ-MNOVXSKESA-N	-1	0	287.312	-0.116	50	0		CBAARM
CC(=O)N[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCCC1	ZINC000262924897	352436405	/nfs/dbraw/zinc/43/64/05/352436405.db2.gz	FLRJTGSPVWAIQX-NWDGAFQWSA-N	-1	0	298.339	-0.007	50	0		CBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299741409	352727871	/nfs/dbraw/zinc/72/78/71/352727871.db2.gz	FSGURJWOXWSQRR-SECBINFHSA-N	-1	0	292.357	-0.409	50	0		CBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000299742419	352727987	/nfs/dbraw/zinc/72/79/87/352727987.db2.gz	HVWCXHSFRHOLHH-SECBINFHSA-N	-1	0	292.357	-0.266	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000299751888	352728572	/nfs/dbraw/zinc/72/85/72/352728572.db2.gz	SENLGCVUEULFTB-QMMMGPOBSA-N	-1	0	298.324	-0.172	50	0		CBAARM
CCN1C[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)CC1=O	ZINC000299751686	352728946	/nfs/dbraw/zinc/72/89/46/352728946.db2.gz	RHLKTGGECQWRAC-JTQLQIEISA-N	-1	0	298.339	-0.053	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)C(=O)[O-]	ZINC000299752397	352729103	/nfs/dbraw/zinc/72/91/03/352729103.db2.gz	TZJKFOUKBVGYFU-POYBYMJQSA-N	-1	0	260.315	-0.255	50	0		CBAARM
Cc1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)n1C	ZINC000167237970	137627049	/nfs/dbraw/zinc/62/70/49/137627049.db2.gz	NEOVYYRIVIXUEA-UHFFFAOYSA-N	-1	0	277.284	-0.060	50	0		CBAARM
O=C([O-])C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000003887056	304036592	/nfs/dbraw/zinc/03/65/92/304036592.db2.gz	MFBQOHXMMCTIFD-ZCFIWIBFSA-N	-1	0	260.271	-0.764	50	0		CBAARM
CC1(C(=O)[O-])CCN(C(=O)[C@H]2CCC(=O)NC(=O)N2)CC1	ZINC000426408913	354242335	/nfs/dbraw/zinc/24/23/35/354242335.db2.gz	IHQBZXJBAOKYDN-MRVPVSSYSA-N	-1	0	297.311	-0.312	50	0		CBAARM
CC(C)C[C@H](NC(=O)Cc1n[nH]c(=O)[n-]1)C(N)=O	ZINC000426597401	354243275	/nfs/dbraw/zinc/24/32/75/354243275.db2.gz	LDYJUUXZDZWUTK-LURJTMIESA-N	-1	0	255.278	-0.931	50	0		CBAARM
O=c1c2cnccc2ncn1CCCc1nnn[n-]1	ZINC000584902832	355045760	/nfs/dbraw/zinc/04/57/60/355045760.db2.gz	NBBZSHYZNFQEMF-UHFFFAOYSA-N	-1	0	257.257	-0.063	50	0		CBAARM
O=C(NCCn1nc(C2CC2)ccc1=O)c1cn[nH]n1	ZINC000585149926	355046714	/nfs/dbraw/zinc/04/67/14/355046714.db2.gz	CEHYKVAVQFAJTD-UHFFFAOYSA-N	-1	0	274.284	-0.331	50	0		CBAARM
O=C([O-])CN1S(=O)(=O)c2ccccc2S1(=O)=O	ZINC000034138958	304067914	/nfs/dbraw/zinc/06/79/14/304067914.db2.gz	HKGHDPHNRYKTNW-UHFFFAOYSA-N	-1	0	277.279	-0.536	50	0		CBAARM
CCn1cc([N-]S(=O)(=O)C[C@@H](C)OC)c(C(N)=O)n1	ZINC000294333805	199002410	/nfs/dbraw/zinc/00/24/10/199002410.db2.gz	XXVFZDKSRWPQQX-SSDOTTSWSA-N	-1	0	290.345	-0.222	50	0		CBAARM
Cc1nccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])n1	ZINC000222545926	189731960	/nfs/dbraw/zinc/73/19/60/189731960.db2.gz	LHOPMVFJJWPEIF-MNOVXSKESA-N	-1	0	295.295	-0.226	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)COCC(F)(F)F)CCO1	ZINC000224807596	189742579	/nfs/dbraw/zinc/74/25/79/189742579.db2.gz	RQDUWTNYJGHRDY-ZCFIWIBFSA-N	-1	0	271.191	-0.123	50	0		CBAARM
CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000037652816	284217839	/nfs/dbraw/zinc/21/78/39/284217839.db2.gz	DGKGSOPKJPITIL-HLTSFMKQSA-N	-1	0	275.326	-0.257	50	0		CBAARM
Nc1c(C(=O)[O-])cnc2nc(N3CCOCC3)nn21	ZINC000002581977	372753469	/nfs/dbraw/zinc/75/34/69/372753469.db2.gz	QWJYBIPYTIQUKH-UHFFFAOYSA-N	-1	0	264.245	-0.759	50	0		CBAARM
C[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)CC(=O)[O-]	ZINC000211743493	372867091	/nfs/dbraw/zinc/86/70/91/372867091.db2.gz	HASGBEJYVSZAJV-RKDXNWHRSA-N	-1	0	292.357	-0.363	50	0		CBAARM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Cn1cnnn1)C2	ZINC000262264792	190051686	/nfs/dbraw/zinc/05/16/86/190051686.db2.gz	RTHHRIALRLWPMR-GZMMTYOYSA-N	-1	0	265.273	-0.614	50	0		CBAARM
C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000262491711	190056331	/nfs/dbraw/zinc/05/63/31/190056331.db2.gz	XKWLMVDVWOPWBE-RXMQYKEDSA-N	-1	0	283.256	-0.100	50	0		CBAARM
C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-]	ZINC000262542245	190057301	/nfs/dbraw/zinc/05/73/01/190057301.db2.gz	RSUVIRHRUNRYAU-ZCFIWIBFSA-N	-1	0	251.242	-0.369	50	0		CBAARM
O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1cnnn1	ZINC000019511105	304206714	/nfs/dbraw/zinc/20/67/14/304206714.db2.gz	BPNXTZZWWNFXME-LLVKDONJSA-N	-1	0	287.279	-0.289	50	0		CBAARM
O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1c[nH]c(=O)cn1	ZINC000072476561	304212224	/nfs/dbraw/zinc/21/22/24/304212224.db2.gz	VAYDXZSFIIOPOI-SNVBAGLBSA-N	-1	0	289.251	-0.683	50	0		CBAARM
O=C([O-])c1cccc(S(=O)(=O)N(CCO)CCO)c1	ZINC000000366492	169619355	/nfs/dbraw/zinc/61/93/55/169619355.db2.gz	VSAROEOXRAJEFU-UHFFFAOYSA-N	-1	0	289.309	-0.640	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000072329980	304248827	/nfs/dbraw/zinc/24/88/27/304248827.db2.gz	BGDPPRWLIUKOOP-ZJUUUORDSA-N	-1	0	271.294	-0.045	50	0		CBAARM
O=C([O-])c1cccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000001423417	304264265	/nfs/dbraw/zinc/26/42/65/304264265.db2.gz	RWLAXRPGVCESFG-ZJUUUORDSA-N	-1	0	271.294	-0.045	50	0		CBAARM
Cc1nnnn1CC(=O)N[C@@H](CC(=O)[O-])CC(C)C	ZINC000426436576	220579217	/nfs/dbraw/zinc/57/92/17/220579217.db2.gz	ORPNXOYUDOXSSG-SECBINFHSA-N	-1	0	269.305	-0.013	50	0		CBAARM
COC(=O)c1cn([C@H](CO)C(=O)[O-])cc2c(=O)[nH]nc1-2	ZINC000524731260	256784535	/nfs/dbraw/zinc/78/45/35/256784535.db2.gz	QKIJTRQXWAPAJZ-SSDOTTSWSA-N	-1	0	281.224	-0.507	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000378183964	533346846	/nfs/dbraw/zinc/34/68/46/533346846.db2.gz	QTSBWRPPRVEDOS-JGVFFNPUSA-N	-1	0	280.284	-0.306	50	0		CBAARM
CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000004294786	285760318	/nfs/dbraw/zinc/76/03/18/285760318.db2.gz	HLRQJAXOZIIORA-OIORRXCASA-N	-1	0	281.264	-0.584	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)[C@H]1CSCN1C(C)=O	ZINC000331155895	292452720	/nfs/dbraw/zinc/45/27/20/292452720.db2.gz	VSGUWRTXDPDBMH-SECBINFHSA-N	-1	0	290.341	-0.533	50	0		CBAARM
O=C([O-])CCNC(=O)CCn1nnc2ccccc2c1=O	ZINC000002441880	169792257	/nfs/dbraw/zinc/79/22/57/169792257.db2.gz	BXXPINUUDQRDGV-UHFFFAOYSA-N	-1	0	290.279	-0.228	50	0		CBAARM
COCCOC(=O)[C@H](CC(=O)[O-])N1CCOCC1	ZINC000004487226	169971373	/nfs/dbraw/zinc/97/13/73/169971373.db2.gz	YIGCKFFLRKUIIW-VIFPVBQESA-N	-1	0	261.274	-0.649	50	0		CBAARM
CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cs1	ZINC000006681526	170225731	/nfs/dbraw/zinc/22/57/31/170225731.db2.gz	GJOZUBZEVZRPTJ-YFKPBYRVSA-N	-1	0	292.338	-0.141	50	0		CBAARM
C[C@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)[O-]	ZINC000006681474	170225940	/nfs/dbraw/zinc/22/59/40/170225940.db2.gz	AWWKTCLRPBEGKA-BYPYZUCNSA-N	-1	0	278.311	-0.402	50	0		CBAARM
CS(=O)(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC000006699549	170228266	/nfs/dbraw/zinc/22/82/66/170228266.db2.gz	FPFUYPQOVJQENH-UHFFFAOYSA-N	-1	0	278.330	-0.655	50	0		CBAARM
C[C@@H](NC(=O)[C@@H](C)n1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000008489818	170337891	/nfs/dbraw/zinc/33/78/91/170337891.db2.gz	WDFUJPVLSHMSLI-HTQZYQBOSA-N	-1	0	290.279	-0.058	50	0		CBAARM
CCOCCOC(=O)CCSc1n[nH]c(=O)[n-]c1=O	ZINC000008772794	170355321	/nfs/dbraw/zinc/35/53/21/170355321.db2.gz	UDWPTBDOXGYQSQ-UHFFFAOYSA-N	-1	0	289.313	-0.068	50	0		CBAARM
CCC[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000036836971	411624869	/nfs/dbraw/zinc/62/48/69/411624869.db2.gz	YTJQBRYVEQOQGA-IUCAKERBSA-N	-1	0	292.357	-0.220	50	0		CBAARM
NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)[O-]	ZINC000019406252	170787249	/nfs/dbraw/zinc/78/72/49/170787249.db2.gz	JGDJQZPYQSUXIA-SECBINFHSA-N	-1	0	268.244	-0.187	50	0		CBAARM
CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)[O-])C(=O)N2	ZINC000020255180	171108905	/nfs/dbraw/zinc/10/89/05/171108905.db2.gz	XBWXLGKVOUZYKI-SSDOTTSWSA-N	-1	0	295.295	-0.143	50	0		CBAARM
CC1=Nn2c(=O)c(CCC(=O)[O-])nnc2SC1	ZINC000020272630	171127557	/nfs/dbraw/zinc/12/75/57/171127557.db2.gz	XNIQSDMOZHUHDZ-UHFFFAOYSA-N	-1	0	254.271	-0.015	50	0		CBAARM
NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000020593457	171262949	/nfs/dbraw/zinc/26/29/49/171262949.db2.gz	HCAJMQKQMSCITK-LURJTMIESA-N	-1	0	288.281	-0.384	50	0		CBAARM
CC(=O)N[C@H](C(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC000022000190	171348300	/nfs/dbraw/zinc/34/83/00/171348300.db2.gz	JRVRHJSMHHKUKE-MWLCHTKSSA-N	-1	0	251.238	-0.181	50	0		CBAARM
C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-]	ZINC000022149674	171357984	/nfs/dbraw/zinc/35/79/84/171357984.db2.gz	XCBFVCXWXPSUMC-VDTYLAMSSA-N	-1	0	265.312	-0.140	50	0		CBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)NCCCC(=O)[O-])C1	ZINC000037434289	173204961	/nfs/dbraw/zinc/20/49/61/173204961.db2.gz	UGIXCKYZXMORCA-VIFPVBQESA-N	-1	0	292.357	-0.361	50	0		CBAARM
O=C([O-])[C@]1(NC(=O)[C@H]2COCCO2)CCSC1	ZINC000043509149	175059636	/nfs/dbraw/zinc/05/96/36/175059636.db2.gz	QBUJWIQWNQKOHO-XCBNKYQSSA-N	-1	0	261.299	-0.522	50	0		CBAARM
COC(=O)c1nnc(NC(=O)C2=NN(C)C(=O)CC2)[n-]1	ZINC000044910145	175275559	/nfs/dbraw/zinc/27/55/59/175275559.db2.gz	CITXVOUCNPDSRB-UHFFFAOYSA-N	-1	0	280.244	-0.862	50	0		CBAARM
CC(=O)N1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000072402805	176397258	/nfs/dbraw/zinc/39/72/58/176397258.db2.gz	HKIINVNKEFWRTQ-UHFFFAOYSA-N	-1	0	278.268	-0.521	50	0		CBAARM
COc1coc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1=O	ZINC000072408250	176398001	/nfs/dbraw/zinc/39/80/01/176398001.db2.gz	CPDDTFIMAKLGQB-QMMMGPOBSA-N	-1	0	297.263	-0.036	50	0		CBAARM
NS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000037791704	544419128	/nfs/dbraw/zinc/41/91/28/544419128.db2.gz	DXPYWQKRSIJHAV-UWVGGRQHSA-N	-1	0	298.320	-0.329	50	0		CBAARM
Cn1c2[nH]c(CCCC(=O)[O-])nc2c(=O)[nH]c1=O	ZINC000082517505	544430763	/nfs/dbraw/zinc/43/07/63/544430763.db2.gz	UPWLOXLWQGCGNM-UHFFFAOYSA-N	-1	0	252.230	-0.643	50	0		CBAARM
COCCS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCC2	ZINC000111994072	544449010	/nfs/dbraw/zinc/44/90/10/544449010.db2.gz	JZIRTTZLAMPPCQ-UHFFFAOYSA-N	-1	0	287.341	-0.006	50	0		CBAARM
Cn1c([O-])c(C2=NN[C@H](c3ccncc3)C2)c(=O)[nH]c1=O	ZINC000101763680	419479131	/nfs/dbraw/zinc/47/91/31/419479131.db2.gz	BFPQCXSSAVAOCJ-QMMMGPOBSA-N	-1	0	287.279	-0.387	50	0		CBAARM
CC(=O)N1C[C@H]2CN(Cc3nonc3C)C[C@@]2(C(=O)[O-])C1	ZINC000096148340	277019388	/nfs/dbraw/zinc/01/93/88/277019388.db2.gz	CEWPBYSJHSGSKB-ZWNOBZJWSA-N	-1	0	294.311	-0.257	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000342555690	278065197	/nfs/dbraw/zinc/06/51/97/278065197.db2.gz	BUYSLNPRQLUTKQ-BDAKNGLRSA-N	-1	0	272.326	-0.017	50	0		CBAARM
CC(=O)N[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1	ZINC000154806170	278141681	/nfs/dbraw/zinc/14/16/81/278141681.db2.gz	AWMZXCPIBHHYGD-SECBINFHSA-N	-1	0	254.286	-0.022	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000178931076	289487652	/nfs/dbraw/zinc/48/76/52/289487652.db2.gz	DIZJDWUFEQBMOM-WDSKDSINSA-N	-1	0	282.218	-0.014	50	0		CBAARM
CN1CCN(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1	ZINC000006126037	290048842	/nfs/dbraw/zinc/04/88/42/290048842.db2.gz	RKFNFMGCNUMUJY-QWRGUYRKSA-N	-1	0	267.329	-0.068	50	0		CBAARM
C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)C[C@H](C)O1	ZINC000062119955	297054281	/nfs/dbraw/zinc/05/42/81/297054281.db2.gz	HGGBKPVXRDQQKO-AEJSXWLSSA-N	-1	0	292.357	-0.253	50	0		CBAARM
CS(=O)(=O)N1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1	ZINC000262588283	295517321	/nfs/dbraw/zinc/51/73/21/295517321.db2.gz	HBPDKRVQBKADPY-DTWKUNHWSA-N	-1	0	290.341	-0.799	50	0		CBAARM
C[C@@H]1O[C@H](Nc2ccc(C(=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000239432830	297647824	/nfs/dbraw/zinc/64/78/24/297647824.db2.gz	WOQRPBXJCRJRBC-CAXGQTPXSA-N	-1	0	283.280	-0.376	50	0		CBAARM
Cc1cc(C(=O)NCC(=O)[O-])cc(S(N)(=O)=O)c1C	ZINC000262566491	301131190	/nfs/dbraw/zinc/13/11/90/301131190.db2.gz	BLYIQQMIDBOTAM-UHFFFAOYSA-N	-1	0	286.309	-0.235	50	0		CBAARM
CN1C[C@@]2(CCN(C(=O)CCCC(=O)[O-])C2)OCC1=O	ZINC000534656806	328340726	/nfs/dbraw/zinc/34/07/26/328340726.db2.gz	SIKGJUJYDRWZNF-CYBMUJFWSA-N	-1	0	284.312	-0.299	50	0		CBAARM
CCn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cn1	ZINC000268973016	330067053	/nfs/dbraw/zinc/06/70/53/330067053.db2.gz	HXILBHPZVBQNAL-VIFPVBQESA-N	-1	0	253.258	-0.171	50	0		CBAARM
CC(C)CN1C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])CC1=O	ZINC000090276270	334359328	/nfs/dbraw/zinc/35/93/28/334359328.db2.gz	IFLSXTJZMGISHY-RNCFNFMXSA-N	-1	0	286.328	-0.557	50	0		CBAARM
CCN(C(=O)Cn1[n-]nnc1=N)[C@@H]1CCCC[C@H]1O	ZINC000952965613	614596439	/nfs/dbraw/zinc/59/64/39/614596439.db2.gz	AYPASVPDBPTHAQ-RKDXNWHRSA-N	-1	0	268.321	-0.762	50	0		CBAARM
CCOC[C@@H]1CCCN1C(=O)Cn1[n-]nnc1=N	ZINC000952975558	615309427	/nfs/dbraw/zinc/30/94/27/615309427.db2.gz	FKXJZFWBZCKVII-QMMMGPOBSA-N	-1	0	254.294	-0.887	50	0		CBAARM
CCOC[C@H]1CCCN1C(=O)Cn1[n-]nnc1=N	ZINC000952975549	615319962	/nfs/dbraw/zinc/31/99/62/615319962.db2.gz	FKXJZFWBZCKVII-MRVPVSSYSA-N	-1	0	254.294	-0.887	50	0		CBAARM
O=C1CC(CC([O-])=C2C(=O)CCCC2=O)CC(=O)N1	ZINC000107113688	656065174	/nfs/dbraw/zinc/06/51/74/656065174.db2.gz	FJICOCMJJLFPGT-UHFFFAOYSA-N	-1	0	265.265	-0.063	50	0		CBAARM
C[C@@H](C(=O)NCCc1n[n-]c(=N)s1)N1CCN(C)CC1	ZINC000426541385	656168658	/nfs/dbraw/zinc/16/86/58/656168658.db2.gz	NCHIGPMHBMOESJ-VIFPVBQESA-N	-1	0	298.416	-0.755	50	0		CBAARM
O=C([O-])c1nc(C(=O)N2CCOC[C@H]2CO)cs1	ZINC000227276324	790433778	/nfs/dbraw/zinc/43/37/78/790433778.db2.gz	JUEJLVKWTOHOHF-ZCFIWIBFSA-N	-1	0	272.282	-0.325	50	0		CBAARM
CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000585139512	790636140	/nfs/dbraw/zinc/63/61/40/790636140.db2.gz	JYIPGPUXCPXCPS-NXEZZACHSA-N	-1	0	258.318	-0.114	50	0		CBAARM
O=C([O-])[C@@H](CO)NS(=O)(=O)CC(=O)c1ccccc1	ZINC000725376291	790819721	/nfs/dbraw/zinc/81/97/21/790819721.db2.gz	ULGPRQVODLUEBM-SECBINFHSA-N	-1	0	287.293	-0.766	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccccn1	ZINC000220661684	230397755	/nfs/dbraw/zinc/39/77/55/230397755.db2.gz	KLGBBQAFEIBMID-VXGBXAGGSA-N	-1	0	294.307	-0.001	50	0		CBAARM
CC(C)Cc1cc(C(=O)N[C@@H](CO)C(=O)[O-])n(C)n1	ZINC000095524182	185004208	/nfs/dbraw/zinc/00/42/08/185004208.db2.gz	DZULBUDOVRCGNA-VIFPVBQESA-N	-1	0	269.301	-0.206	50	0		CBAARM
O=C([O-])c1csc(CCNC(=O)[C@@H]2CCC(=O)N2)n1	ZINC000090939430	180068369	/nfs/dbraw/zinc/06/83/69/180068369.db2.gz	IXASNLNUVBPKLY-LURJTMIESA-N	-1	0	283.309	-0.221	50	0		CBAARM
CN1C[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O	ZINC000091293475	180124703	/nfs/dbraw/zinc/12/47/03/180124703.db2.gz	JJDAPWWXULEUGL-BDAKNGLRSA-N	-1	0	270.285	-0.833	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cncc(F)c1	ZINC000088377005	282685284	/nfs/dbraw/zinc/68/52/84/282685284.db2.gz	RISUQVHTCARGRD-VIFPVBQESA-N	-1	0	290.272	-0.305	50	0		CBAARM
O=C(Cn1cnc2ccccc2c1=O)NCc1nnn[n-]1	ZINC000091998021	180303275	/nfs/dbraw/zinc/30/32/75/180303275.db2.gz	SYOGEDINYQLPTP-UHFFFAOYSA-N	-1	0	285.267	-0.774	50	0		CBAARM
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCC(N)=O	ZINC000000073109	351297680	/nfs/dbraw/zinc/29/76/80/351297680.db2.gz	MNVDJJMJHWDWJV-XBXARRHUSA-N	-1	0	291.263	-0.260	50	0		CBAARM
CCn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000000180646	351299487	/nfs/dbraw/zinc/29/94/87/351299487.db2.gz	BHLQHVCNJZANDO-UHFFFAOYSA-N	-1	0	284.297	-0.380	50	0	biogenic,in-vitro	CBAARM
NC(=O)C[C@H](NC(=O)Cc1ccccc1)C(=O)[O-]	ZINC000000399855	351300112	/nfs/dbraw/zinc/30/01/12/351300112.db2.gz	OXZNUVREVMKPPC-VIFPVBQESA-N	-1	0	250.254	-0.326	50	0		CBAARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1	ZINC000001760363	351305552	/nfs/dbraw/zinc/30/55/52/351305552.db2.gz	VZCCSZRICJFBSI-VIFPVBQESA-N	-1	0	286.309	-0.398	50	0	in-vitro	CBAARM
O=C([O-])CS(=O)(=O)CC(=O)NCc1ccccc1	ZINC000002561446	351310700	/nfs/dbraw/zinc/31/07/00/351310700.db2.gz	NVJVWLMMDHRXNA-UHFFFAOYSA-N	-1	0	271.294	-0.198	50	0		CBAARM
COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1	ZINC000002641145	351310747	/nfs/dbraw/zinc/31/07/47/351310747.db2.gz	VJAHSOIECXJUPQ-XVKPBYJWSA-N	-1	0	289.309	-0.193	50	0		CBAARM
NC(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000004206902	351317913	/nfs/dbraw/zinc/31/79/13/351317913.db2.gz	OPIMWHAHDWKFAP-UHFFFAOYSA-N	-1	0	258.255	-0.852	50	0		CBAARM
O=C([O-])CCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000004510623	351319438	/nfs/dbraw/zinc/31/94/38/351319438.db2.gz	FXKCSJQLAMJHHZ-UHFFFAOYSA-N	-1	0	299.308	-0.001	50	0		CBAARM
CSCC[C@H](C(=O)[O-])N1C(=O)N[C@@H]2NC(=O)N[C@H]21	ZINC000004557473	351320392	/nfs/dbraw/zinc/32/03/92/351320392.db2.gz	ZIJZHICDZSWHSK-SRQIZXRXSA-N	-1	0	274.302	-0.817	50	0		CBAARM
Cn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000032917492	351381879	/nfs/dbraw/zinc/38/18/79/351381879.db2.gz	JIICRKFZVKRUKY-QMMMGPOBSA-N	-1	0	273.314	-0.095	50	0		CBAARM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C2CC2)s1	ZINC000036182511	351389028	/nfs/dbraw/zinc/38/90/28/351389028.db2.gz	USHQAPBZEOUFMS-UHFFFAOYSA-N	-1	0	262.316	-0.063	50	0		CBAARM
NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O	ZINC000036366864	351390902	/nfs/dbraw/zinc/39/09/02/351390902.db2.gz	XEULURTYRXBAPM-UHFFFAOYSA-N	-1	0	299.333	-0.029	50	0		CBAARM
CCOC(=O)C([N-]S(=O)(=O)CC)C(=O)OCC	ZINC000036818287	351394359	/nfs/dbraw/zinc/39/43/59/351394359.db2.gz	ULRMUISWPAZOEN-UHFFFAOYSA-N	-1	0	267.303	-0.580	50	0		CBAARM
NC(=O)COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1	ZINC000015012698	351340084	/nfs/dbraw/zinc/34/00/84/351340084.db2.gz	TZSYKHSPQWADBE-UITAMQMPSA-N	-1	0	261.237	-0.269	50	0		CBAARM
COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCC(N)=O	ZINC000015012705	351340513	/nfs/dbraw/zinc/34/05/13/351340513.db2.gz	MNVDJJMJHWDWJV-YWEYNIOJSA-N	-1	0	291.263	-0.260	50	0		CBAARM
CNC(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])cs1	ZINC000016648028	351345057	/nfs/dbraw/zinc/34/50/57/351345057.db2.gz	PYBOTTMABQWDRO-UHFFFAOYSA-N	-1	0	292.338	-0.139	50	0		CBAARM
O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCOC2=O)c1	ZINC000019812388	351351974	/nfs/dbraw/zinc/35/19/74/351351974.db2.gz	NCANXPQBPYADOG-SECBINFHSA-N	-1	0	285.277	-0.021	50	0		CBAARM
Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(C)(=O)=O	ZINC000042278949	351429350	/nfs/dbraw/zinc/42/93/50/351429350.db2.gz	KCCMFPCVOAXQIG-UHFFFAOYSA-N	-1	0	297.340	-0.250	50	0		CBAARM
NC(=O)c1cc2c(nc1N1CCO[C@H](C(=O)[O-])C1)CCC2	ZINC000043703165	351442811	/nfs/dbraw/zinc/44/28/11/351442811.db2.gz	YBKDSKSZXSKOAP-NSHDSACASA-N	-1	0	291.307	-0.041	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O	ZINC000037932010	351411689	/nfs/dbraw/zinc/41/16/89/351411689.db2.gz	CFIYVJADNRKIJQ-VIFPVBQESA-N	-1	0	292.357	-0.266	50	0		CBAARM
Cn1nc(Br)c2c1ncn(CC(=O)[O-])c2=O	ZINC000057218477	351552464	/nfs/dbraw/zinc/55/24/64/351552464.db2.gz	PEFMXYOCMKWEST-UHFFFAOYSA-N	-1	0	287.073	-0.023	50	0		CBAARM
CC(C)[C@H](NS(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000052096054	351516908	/nfs/dbraw/zinc/51/69/08/351516908.db2.gz	DTMPXSUVJDVFSW-QMMMGPOBSA-N	-1	0	261.303	-0.192	50	0		CBAARM
O=C([O-])[C@@H]1CC(=O)N(CCS(=O)(=O)N2CCCC2)C1	ZINC000065386425	351588762	/nfs/dbraw/zinc/58/87/62/351588762.db2.gz	VGWSGKIDRSPQGW-SECBINFHSA-N	-1	0	290.341	-0.655	50	0		CBAARM
Cc1nonc1OCCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000065418724	351590483	/nfs/dbraw/zinc/59/04/83/351590483.db2.gz	PNIPNTCGSWFFDL-ZETCQYMHSA-N	-1	0	255.230	-0.310	50	0		CBAARM
C[C@H](c1n[nH]c(=O)n1CCC(=O)[O-])n1cccn1	ZINC000065527691	351591671	/nfs/dbraw/zinc/59/16/71/351591671.db2.gz	YDODWPNIVFYNFW-SSDOTTSWSA-N	-1	0	251.246	-0.148	50	0		CBAARM
C[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)[C@H]1CCCO1	ZINC000065608409	351593082	/nfs/dbraw/zinc/59/30/82/351593082.db2.gz	LVTVLPDIQDHZJS-DTWKUNHWSA-N	-1	0	267.285	-0.780	50	0		CBAARM
Cn1nc(Br)c(C(=O)NCC(=O)[O-])c1N	ZINC000057218598	351553035	/nfs/dbraw/zinc/55/30/35/351553035.db2.gz	UWKQHRBXXNTKHL-UHFFFAOYSA-N	-1	0	277.078	-0.421	50	0		CBAARM
CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O	ZINC000071792685	351644100	/nfs/dbraw/zinc/64/41/00/351644100.db2.gz	HLRQJAXOZIIORA-SQFXPHBZSA-N	-1	0	281.264	-0.584	50	0		CBAARM
O=C(NCCc1n[nH]c(=O)[n-]1)c1cc(-n2cccn2)ccn1	ZINC000078998193	351689302	/nfs/dbraw/zinc/68/93/02/351689302.db2.gz	KWKOOPVKNMGAKK-UHFFFAOYSA-N	-1	0	299.294	-0.349	50	0		CBAARM
CC(=O)Nc1ccccc1C(=O)NCC(=O)NCC(=O)[O-]	ZINC000075249966	351666587	/nfs/dbraw/zinc/66/65/87/351666587.db2.gz	WDDBZOUKAIIDCL-UHFFFAOYSA-N	-1	0	293.279	-0.424	50	0		CBAARM
Cc1nnsc1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088375037	351724878	/nfs/dbraw/zinc/72/48/78/351724878.db2.gz	VPSOIGISSHAEQG-ZCFIWIBFSA-N	-1	0	257.271	-0.228	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)c1ccc2n[nH]nc2c1	ZINC000088375859	351725309	/nfs/dbraw/zinc/72/53/09/351725309.db2.gz	GZDNOFVRMBFKKO-SNVBAGLBSA-N	-1	0	276.252	-0.117	50	0		CBAARM
C[C@@]1(O)CCN(Cc2cnc(NCC(=O)[O-])nc2)C[C@@H]1O	ZINC000097447115	351778523	/nfs/dbraw/zinc/77/85/23/351778523.db2.gz	WZQSCMFGQGPSFL-GXFFZTMASA-N	-1	0	296.327	-0.709	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2	ZINC000100047731	351780384	/nfs/dbraw/zinc/78/03/84/351780384.db2.gz	CFTPNZHESBDDTO-ZJUUUORDSA-N	-1	0	287.275	-0.015	50	0		CBAARM
Cn1c([O-])c(C(=O)NCc2ccccc2)c(=O)n(C)c1=O	ZINC000100326786	351780829	/nfs/dbraw/zinc/78/08/29/351780829.db2.gz	UDCLJNOYANEFJC-UHFFFAOYSA-N	-1	0	289.291	-0.031	50	0		CBAARM
O=C(NCCO)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000100589637	351781461	/nfs/dbraw/zinc/78/14/61/351781461.db2.gz	WJTNJBSPHGLNKD-UHFFFAOYSA-N	-1	0	274.276	-0.015	50	0		CBAARM
CCC(NC[C@@H]1CCCO1)=C1C(=O)[N-]C(=O)NC1=O	ZINC000101049646	351781469	/nfs/dbraw/zinc/78/14/69/351781469.db2.gz	HJQUSVDIBYXNND-ZETCQYMHSA-N	-1	0	267.285	-0.215	50	0		CBAARM
Cn1c([O-])c(C2=NN[C@@H](c3cccnc3)C2)c(=O)[nH]c1=O	ZINC000101763785	351783532	/nfs/dbraw/zinc/78/35/32/351783532.db2.gz	FNHJWFRJYDTJNY-MRVPVSSYSA-N	-1	0	287.279	-0.387	50	0		CBAARM
C[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])nc1	ZINC000110672863	351799560	/nfs/dbraw/zinc/79/95/60/351799560.db2.gz	RDKHACJUJXYGGG-ZETCQYMHSA-N	-1	0	263.253	-0.260	50	0		CBAARM
CCc1nc(C[C@H](C)NC(C)=O)n(CC(=O)[O-])n1	ZINC000096151576	351773441	/nfs/dbraw/zinc/77/34/41/351773441.db2.gz	UJRVLBLWBKCBGV-ZETCQYMHSA-N	-1	0	254.290	-0.008	50	0		CBAARM
Cn1nnc([N-]S(=O)(=O)c2ccc(N)cc2)n1	ZINC000127015004	351863276	/nfs/dbraw/zinc/86/32/76/351863276.db2.gz	LNRHFYAIHBWTEY-UHFFFAOYSA-N	-1	0	254.275	-0.407	50	0		CBAARM
O=C(CN1CSCC1=O)NC1(C(=O)[O-])CCC1	ZINC000164867392	351984349	/nfs/dbraw/zinc/98/43/49/351984349.db2.gz	PCVOOSCCBQFACK-UHFFFAOYSA-N	-1	0	258.299	-0.357	50	0		CBAARM
C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000170621248	351998472	/nfs/dbraw/zinc/99/84/72/351998472.db2.gz	DEZWHJIGYIMZMW-JGVFFNPUSA-N	-1	0	251.304	-0.354	50	0		CBAARM
O=C([O-])CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	ZINC000262474973	352423473	/nfs/dbraw/zinc/42/34/73/352423473.db2.gz	UXJBQBZMTIETNM-UHFFFAOYSA-N	-1	0	290.341	-0.609	50	0		CBAARM
CN1N=C(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCC1=O	ZINC000262719208	352431709	/nfs/dbraw/zinc/43/17/09/352431709.db2.gz	HODISTARJZJJAY-LLVKDONJSA-N	-1	0	271.248	-0.380	50	0		CBAARM
CC1(C)NC(=O)N(CCCC(=O)NCC(=O)[O-])C1=O	ZINC000269131202	352462044	/nfs/dbraw/zinc/46/20/44/352462044.db2.gz	LEVPDQKMOCNAGK-UHFFFAOYSA-N	-1	0	271.273	-0.702	50	0		CBAARM
NC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cn1	ZINC000299741465	352728102	/nfs/dbraw/zinc/72/81/02/352728102.db2.gz	FATHZHBSOFEXEA-VIFPVBQESA-N	-1	0	263.253	-0.130	50	0		CBAARM
C[C@@H](CN(C)C(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)[O-]	ZINC000299741697	352728106	/nfs/dbraw/zinc/72/81/06/352728106.db2.gz	AFJADAJHEDLCCX-ZETCQYMHSA-N	-1	0	285.300	-0.504	50	0		CBAARM
O=C([O-])[C@H]1COCCN1C(=O)CCOC[C@@H]1CCCO1	ZINC000299752488	352729056	/nfs/dbraw/zinc/72/90/56/352729056.db2.gz	UHCPMTDLBXDLCL-WDEREUQCSA-N	-1	0	287.312	-0.116	50	0		CBAARM
CC(C)C(=O)N1CCC(C(=O)NCCc2nnn[n-]2)CC1	ZINC000299775657	352729530	/nfs/dbraw/zinc/72/95/30/352729530.db2.gz	GMVSJHJWNHGODP-UHFFFAOYSA-N	-1	0	294.359	-0.247	50	0		CBAARM
COc1cn(CCn2ccnn2)c(C(=O)[O-])cc1=O	ZINC000302281625	352740152	/nfs/dbraw/zinc/74/01/52/352740152.db2.gz	FFRBDQNOLWCKGH-UHFFFAOYSA-N	-1	0	264.241	-0.153	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)COC[C@H]2CCCO2)CCO1	ZINC000328595640	352784277	/nfs/dbraw/zinc/78/42/77/352784277.db2.gz	ZTXOZLXMCUQRSB-NXEZZACHSA-N	-1	0	273.285	-0.506	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)COC[C@H]2CCCO2)CCO1	ZINC000328595643	352784565	/nfs/dbraw/zinc/78/45/65/352784565.db2.gz	ZTXOZLXMCUQRSB-ZJUUUORDSA-N	-1	0	273.285	-0.506	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000340195174	215481863	/nfs/dbraw/zinc/48/18/63/215481863.db2.gz	BKBUNFDMPHRABG-RKDXNWHRSA-N	-1	0	272.326	-0.159	50	0		CBAARM
CCc1nc(CN(C)C(=O)NCCCc2nnn[n-]2)no1	ZINC000426526271	354243187	/nfs/dbraw/zinc/24/31/87/354243187.db2.gz	OAMHMUSXIXOUBA-UHFFFAOYSA-N	-1	0	294.319	-0.081	50	0		CBAARM
CCCOC[C@H]1CCN(C(=O)Cn2[n-]nnc2=N)C1	ZINC000584885815	355041916	/nfs/dbraw/zinc/04/19/16/355041916.db2.gz	YHNUYJZACFFISU-VIFPVBQESA-N	-1	0	268.321	-0.639	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)N(NC(=O)C(=O)Nc2ccccc2)C1	ZINC000585122817	355046872	/nfs/dbraw/zinc/04/68/72/355046872.db2.gz	XBKALLCFKAYGNJ-QMMMGPOBSA-N	-1	0	291.263	-0.411	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000038020332	283110340	/nfs/dbraw/zinc/11/03/40/283110340.db2.gz	GGWIZOIJIOXJDO-SECBINFHSA-N	-1	0	292.357	-0.266	50	0		CBAARM
CCCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000038020331	283108632	/nfs/dbraw/zinc/10/86/32/283108632.db2.gz	GGWIZOIJIOXJDO-VIFPVBQESA-N	-1	0	292.357	-0.266	50	0		CBAARM
COC(=O)C[C@@H](C[P@@](=O)([O-])CN(C)C=O)C(=O)OC	ZINC000001758039	291110865	/nfs/dbraw/zinc/11/08/65/291110865.db2.gz	GIHFEUODVYYAJW-QMMMGPOBSA-N	-1	0	295.228	-0.345	50	0		CBAARM
O=C([O-])CC[C@H]1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000050921593	304062417	/nfs/dbraw/zinc/06/24/17/304062417.db2.gz	HGLMPMRTAQXYEM-MRVPVSSYSA-N	-1	0	295.295	-0.077	50	0		CBAARM
O=C([O-])CC[C@H]1CCCN(C(=O)Cn2cnnn2)C1	ZINC000049842053	304063479	/nfs/dbraw/zinc/06/34/79/304063479.db2.gz	FLOXESKNLOMNSN-SECBINFHSA-N	-1	0	267.289	-0.224	50	0		CBAARM
O=C([O-])C[C@@H]1C(=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1	ZINC000100162190	304074542	/nfs/dbraw/zinc/07/45/42/304074542.db2.gz	YMYDKSMHYXRKDM-YFKPBYRVSA-N	-1	0	265.225	-0.618	50	0		CBAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000101343279	304099681	/nfs/dbraw/zinc/09/96/81/304099681.db2.gz	SISPNTRQQLNRHH-KXUCPTDWSA-N	-1	0	287.337	-0.043	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000299746152	200854726	/nfs/dbraw/zinc/85/47/26/200854726.db2.gz	VRVRDVRJQMNMAP-CYBMUJFWSA-N	-1	0	297.311	-0.360	50	0		CBAARM
C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000299747128	200855351	/nfs/dbraw/zinc/85/53/51/200855351.db2.gz	CALRWBYAWQYYOJ-CSMHCCOUSA-N	-1	0	263.315	-0.401	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)NC[C@H](C)C(=O)[O-]	ZINC000299752399	200858431	/nfs/dbraw/zinc/85/84/31/200858431.db2.gz	TZJKFOUKBVGYFU-XPUUQOCRSA-N	-1	0	260.315	-0.255	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000342555691	216398937	/nfs/dbraw/zinc/39/89/37/216398937.db2.gz	BUYSLNPRQLUTKQ-DTWKUNHWSA-N	-1	0	272.326	-0.017	50	0		CBAARM
[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002384846	372753528	/nfs/dbraw/zinc/75/35/28/372753528.db2.gz	JXWLMUIXUXLIJR-QWRGUYRKSA-N	-1	0	294.307	-0.009	50	0	endogenous,in-man	CBAARM
CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-]	ZINC000008469299	372756280	/nfs/dbraw/zinc/75/62/80/372756280.db2.gz	MMFKFJORZBJVNF-VHSXEESVSA-N	-1	0	268.317	-0.105	50	0	endogenous,in-man	CBAARM
O=C([O-])[C@H]1CC(=O)Nc2nc(N3CCCC3)[nH]c(=O)c21	ZINC000012322285	304174864	/nfs/dbraw/zinc/17/48/64/304174864.db2.gz	SVDAHFZLPTYUMA-LURJTMIESA-N	-1	0	278.268	-0.120	50	0		CBAARM
C[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C)C(=O)[O-]	ZINC000085554818	296214055	/nfs/dbraw/zinc/21/40/55/296214055.db2.gz	WVSBROBJIWYPOF-RXMQYKEDSA-N	-1	0	298.324	-0.464	50	0		CBAARM
Cc1ccc(Cc2nnn(CC(=O)NCC(=O)[O-])n2)cc1	ZINC000644282573	374523722	/nfs/dbraw/zinc/52/37/22/374523722.db2.gz	DODCWKJIIJKPHP-UHFFFAOYSA-N	-1	0	289.295	-0.227	50	0		CBAARM
O=C([O-])[C@H]1CCCN1C(=O)CCN1CCCS1(=O)=O	ZINC000262170023	304184868	/nfs/dbraw/zinc/18/48/68/304184868.db2.gz	UYNVVTPURHLHMV-SECBINFHSA-N	-1	0	290.341	-0.512	50	0		CBAARM
C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-]	ZINC000262710600	190061106	/nfs/dbraw/zinc/06/11/06/190061106.db2.gz	PFAWWUWZRWJDGB-YFKPBYRVSA-N	-1	0	292.251	-0.763	50	0		CBAARM
CNS(=O)(=O)c1csc(C(=O)NCC(=O)[O-])c1	ZINC000262722011	190061447	/nfs/dbraw/zinc/06/14/47/190061447.db2.gz	WGNRCQVOKODLLM-UHFFFAOYSA-N	-1	0	278.311	-0.529	50	0		CBAARM
O=C([O-])c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1	ZINC000036756701	304257486	/nfs/dbraw/zinc/25/74/86/304257486.db2.gz	ZRVDSIVQKSNGIO-SSDOTTSWSA-N	-1	0	284.293	-0.303	50	0		CBAARM
O=C([O-])c1cccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000004623827	304264791	/nfs/dbraw/zinc/26/47/91/304264791.db2.gz	RWLAXRPGVCESFG-VHSXEESVSA-N	-1	0	271.294	-0.045	50	0		CBAARM
O=C([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	ZINC000229831945	304270577	/nfs/dbraw/zinc/27/05/77/304270577.db2.gz	TZQXBPJFWCSNDR-XWLWVQCSSA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1	ZINC000006423754	170199870	/nfs/dbraw/zinc/19/98/70/170199870.db2.gz	VHXSXLGCRWLSBA-ZETCQYMHSA-N	-1	0	259.287	-0.105	50	0		CBAARM
NC(=O)c1cc(S(=O)(=O)NCC(=O)[O-])cs1	ZINC000006681497	170225851	/nfs/dbraw/zinc/22/58/51/170225851.db2.gz	KVTLUUYVECBISL-UHFFFAOYSA-N	-1	0	264.284	-0.790	50	0		CBAARM
CNC(=O)c1cc(S(=O)(=O)NCC(=O)[O-])cs1	ZINC000006681551	170225852	/nfs/dbraw/zinc/22/58/52/170225852.db2.gz	ISXDGMZJPQZIMI-UHFFFAOYSA-N	-1	0	278.311	-0.529	50	0		CBAARM
O=C([O-])c1c(NC(=O)C(=O)NCCO)sc2c1CCC2	ZINC000006720001	170231831	/nfs/dbraw/zinc/23/18/31/170231831.db2.gz	FNCOOPAMHXWIKQ-UHFFFAOYSA-N	-1	0	298.320	-0.018	50	0		CBAARM
CCOCCOC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000008607911	170342479	/nfs/dbraw/zinc/34/24/79/170342479.db2.gz	FGSATLXWKQXRKL-ZCFIWIBFSA-N	-1	0	289.313	-0.482	50	0		CBAARM
CS(=O)(=O)[N-]c1nc(CC(=O)NCCCO)cs1	ZINC000008990572	170360627	/nfs/dbraw/zinc/36/06/27/170360627.db2.gz	TZGRCVNKQDUVGM-UHFFFAOYSA-N	-1	0	293.370	-0.444	50	0		CBAARM
O=C([O-])CNC(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000009184492	170365601	/nfs/dbraw/zinc/36/56/01/170365601.db2.gz	IYUJGAVRJVBWQQ-UHFFFAOYSA-N	-1	0	261.237	-0.334	50	0		CBAARM
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccs1	ZINC000012336278	170476537	/nfs/dbraw/zinc/47/65/37/170476537.db2.gz	GPQQYSLEPAAZBE-BQBZGAKWSA-N	-1	0	277.323	-0.043	50	0		CBAARM
CSCC[C@@H](NC(=O)CCn1cncn1)C(=O)[O-]	ZINC000020258249	171113445	/nfs/dbraw/zinc/11/34/45/171113445.db2.gz	XWXVPZGHQVZJFK-MRVPVSSYSA-N	-1	0	272.330	-0.009	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000022015674	171349604	/nfs/dbraw/zinc/34/96/04/171349604.db2.gz	NTGCPZWTZOCFCG-UHFFFAOYSA-N	-1	0	286.265	-0.620	50	0		CBAARM
COc1ccccc1NC(=O)[C@H](O)[C@@H](O)C(=O)[O-]	ZINC000033967071	171828534	/nfs/dbraw/zinc/82/85/34/171828534.db2.gz	QHYRRCJBXXMTAX-RKDXNWHRSA-N	-1	0	255.226	-0.560	50	0		CBAARM
NC(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	ZINC000037415033	173191486	/nfs/dbraw/zinc/19/14/86/173191486.db2.gz	PFTHPPSRDVHWBW-UHFFFAOYSA-N	-1	0	272.282	-0.462	50	0		CBAARM
CN(CCCC(=O)[O-])C(=O)CN1CSCC1=O	ZINC000037455951	173220742	/nfs/dbraw/zinc/22/07/42/173220742.db2.gz	MPGHXHITNZTSAK-UHFFFAOYSA-N	-1	0	260.315	-0.158	50	0		CBAARM
O=C([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1	ZINC000037493601	173233771	/nfs/dbraw/zinc/23/37/71/173233771.db2.gz	YUOWJTOMCDQVCH-UHFFFAOYSA-N	-1	0	289.309	-0.640	50	0		CBAARM
CS(=O)(=O)[N-]C(=O)Cn1ncc2ccccc2c1=O	ZINC000040544095	174324349	/nfs/dbraw/zinc/32/43/49/174324349.db2.gz	IRQCWYBJWFOONA-UHFFFAOYSA-N	-1	0	281.293	-0.528	50	0		CBAARM
O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2cccs2)CCO1	ZINC000043701775	175098084	/nfs/dbraw/zinc/09/80/84/175098084.db2.gz	OCXSXSHQMTUUSM-MRVPVSSYSA-N	-1	0	298.320	-0.210	50	0		CBAARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)NC[C@@H]1CCCO1	ZINC000071405389	176155548	/nfs/dbraw/zinc/15/55/48/176155548.db2.gz	OYKADJAEHOMHCZ-LURJTMIESA-N	-1	0	286.313	-0.742	50	0		CBAARM
Cn1c(=O)cc(N2CCC(C(=O)[O-])CC2)n(C)c1=O	ZINC000013362693	544417397	/nfs/dbraw/zinc/41/73/97/544417397.db2.gz	UEKRFMCBHVPZPW-UHFFFAOYSA-N	-1	0	267.285	-0.615	50	0		CBAARM
C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000090276782	544438267	/nfs/dbraw/zinc/43/82/67/544438267.db2.gz	KMNZJEFLXOWFFS-SNVBAGLBSA-N	-1	0	277.273	-0.060	50	0		CBAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cccc(=O)[nH]1	ZINC000222613213	544491726	/nfs/dbraw/zinc/49/17/26/544491726.db2.gz	PHICQBFJIQFYAI-ZJUUUORDSA-N	-1	0	296.279	-0.637	50	0		CBAARM
Cn1cncc1C(=O)NC1(C(=O)[O-])CCOCC1	ZINC000236073404	544505117	/nfs/dbraw/zinc/50/51/17/544505117.db2.gz	MGZZNUJAJWBFOA-UHFFFAOYSA-N	-1	0	253.258	-0.216	50	0		CBAARM
Cc1nc2[n-]c(N3C(=O)CCC3=O)nn2c(=O)c1C	ZINC000101823587	419479105	/nfs/dbraw/zinc/47/91/05/419479105.db2.gz	BRDXEWYWOYUFDG-UHFFFAOYSA-N	-1	0	261.241	-0.312	50	0		CBAARM
Cn1c([O-])c(C(=O)NCc2ccco2)c(=O)n(C)c1=O	ZINC000101817879	419479867	/nfs/dbraw/zinc/47/98/67/419479867.db2.gz	DCLZKDBPAJGZLV-UHFFFAOYSA-N	-1	0	279.252	-0.438	50	0		CBAARM
CC(C)Cc1cc(C(=O)NCC(=O)[O-])nc(N)n1	ZINC000426531891	420266281	/nfs/dbraw/zinc/26/62/81/420266281.db2.gz	ZVJZOAMOCCPGCC-UHFFFAOYSA-N	-1	0	252.274	0.072	50	0		CBAARM
CCC(=O)N1CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C1	ZINC000681944237	545052153	/nfs/dbraw/zinc/05/21/53/545052153.db2.gz	WHTSCOAQIIAFOR-SNVBAGLBSA-N	-1	0	272.301	-0.443	50	0		CBAARM
CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CC(OC)C2)C1	ZINC000685940517	545083026	/nfs/dbraw/zinc/08/30/26/545083026.db2.gz	CJJHXZKOUKEDLO-PMUOWJKOSA-N	-1	0	298.339	-0.151	50	0		CBAARM
CC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000035409462	288015310	/nfs/dbraw/zinc/01/53/10/288015310.db2.gz	VPDJIBPCBZIIRW-IUCAKERBSA-N	-1	0	292.357	-0.220	50	0		CBAARM
CN1CCN(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1	ZINC000006126034	290048680	/nfs/dbraw/zinc/04/86/80/290048680.db2.gz	RKFNFMGCNUMUJY-MNOVXSKESA-N	-1	0	267.329	-0.068	50	0		CBAARM
C[C@@H]1COCCN1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000037656697	297127616	/nfs/dbraw/zinc/12/76/16/297127616.db2.gz	KDNQVQWMYZUJST-NXEZZACHSA-N	-1	0	292.357	-0.109	50	0		CBAARM
Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC(=O)[O-]	ZINC000170624187	302324972	/nfs/dbraw/zinc/32/49/72/302324972.db2.gz	OXHGNQDJPAQFIR-UHFFFAOYSA-N	-1	0	291.267	-0.541	50	0		CBAARM
Nc1cc(=O)n(-c2cccc(S(=O)(=O)[O-])c2)[nH]1	ZINC000002565499	303360219	/nfs/dbraw/zinc/36/02/19/303360219.db2.gz	UFDILMROGRLFSQ-UHFFFAOYSA-N	-1	0	255.255	-0.058	50	0		CBAARM
CN1C[C@]2(CCN(C(=O)CCCC(=O)[O-])C2)OCC1=O	ZINC000534656807	328340729	/nfs/dbraw/zinc/34/07/29/328340729.db2.gz	SIKGJUJYDRWZNF-ZDUSSCGKSA-N	-1	0	284.312	-0.299	50	0		CBAARM
O=C([O-])CN1CCN(C[C@@H]2CCCOC2)CC1=O	ZINC000534676198	328351806	/nfs/dbraw/zinc/35/18/06/328351806.db2.gz	RTYTUXYNRQOCQY-JTQLQIEISA-N	-1	0	256.302	-0.358	50	0		CBAARM
NS(=O)(=O)c1ccc(NC(=O)COCC(=O)[O-])cc1	ZINC000000147852	326789783	/nfs/dbraw/zinc/78/97/83/326789783.db2.gz	YMOVKWRPVDWVOV-UHFFFAOYSA-N	-1	0	288.281	-0.626	50	0		CBAARM
CC(C)CN1C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CC1=O	ZINC000090276273	327088250	/nfs/dbraw/zinc/08/82/50/327088250.db2.gz	IFLSXTJZMGISHY-TVQRCGJNSA-N	-1	0	286.328	-0.557	50	0		CBAARM
CC(C)c1cc(CNC(=O)Cn2[n-]nnc2=N)on1	ZINC000952971355	614306081	/nfs/dbraw/zinc/30/60/81/614306081.db2.gz	SDRWZWHVMOPFSY-UHFFFAOYSA-N	-1	0	265.277	-0.487	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)Cn1ccnc1C	ZINC000426420102	656169013	/nfs/dbraw/zinc/16/90/13/656169013.db2.gz	NOIOUYNMFFFKCZ-UHFFFAOYSA-N	-1	0	255.274	-0.249	50	0		CBAARM
Cc1cccnc1C[C@H](C)NC(=O)Cn1[n-]nnc1=N	ZINC000952971518	658360199	/nfs/dbraw/zinc/36/01/99/658360199.db2.gz	HEBATOTYYWDPKF-VIFPVBQESA-N	-1	0	275.316	-0.464	50	0		CBAARM
O=C([O-])c1nc(C(=O)N2CCO[C@@H](CO)C2)cs1	ZINC000227272502	790434593	/nfs/dbraw/zinc/43/45/93/790434593.db2.gz	MLCMCZFDTAOJBP-ZCFIWIBFSA-N	-1	0	272.282	-0.325	50	0		CBAARM
COC(=O)c1[n-]n(C)c(=O)c1C(=O)Nc1ccccn1	ZINC000585138094	790636164	/nfs/dbraw/zinc/63/61/64/790636164.db2.gz	NVHTYGPFZPFDAI-MRVPVSSYSA-N	-1	0	276.252	-0.363	50	0		CBAARM
O=C([O-])[C@@H](O)CNS(=O)(=O)CC(=O)c1ccccc1	ZINC000725376242	790819675	/nfs/dbraw/zinc/81/96/75/790819675.db2.gz	TXXXFBZYRWLHFG-VIFPVBQESA-N	-1	0	287.293	-0.766	50	0		CBAARM
CCCn1cnnc1CNC(=O)NCCC(=O)[O-]	ZINC000823031256	790837919	/nfs/dbraw/zinc/83/79/19/790837919.db2.gz	ADMOXEGLAXMOGF-UHFFFAOYSA-N	-1	0	255.278	-0.038	50	0		CBAARM
Cc1csc(CNC(=O)Cn2[n-]nnc2=N)n1	ZINC000827864162	790871189	/nfs/dbraw/zinc/87/11/89/790871189.db2.gz	ZOFLDETWHNZVLQ-UHFFFAOYSA-N	-1	0	253.291	-0.833	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)c1cn(C)c(C)cc1=O	ZINC000824403161	884576496	/nfs/dbraw/zinc/57/64/96/884576496.db2.gz	IOUIBKKVOYJFDN-UHFFFAOYSA-N	-1	0	282.296	-0.133	50	0		CBAARM
Cn1ncc(NC(=O)CCCC(=O)[O-])c1C(N)=O	ZINC000016989385	230371675	/nfs/dbraw/zinc/37/16/75/230371675.db2.gz	CXDLCAPZEVECII-UHFFFAOYSA-N	-1	0	254.246	-0.288	50	0		CBAARM
O=C(Cn1ncc2ccccc21)NCCc1n[nH]c(=O)[n-]1	ZINC000096449143	230375197	/nfs/dbraw/zinc/37/51/97/230375197.db2.gz	XWWKVLRARORBLY-UHFFFAOYSA-N	-1	0	286.295	-0.193	50	0		CBAARM
CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000378175891	529839652	/nfs/dbraw/zinc/83/96/52/529839652.db2.gz	RZQFHGBCJAMLHR-SSDOTTSWSA-N	-1	0	266.257	-0.694	50	0		CBAARM
COC(=O)Cc1cc(=O)n2nc(SC)[n-]c2n1	ZINC000100020926	185701962	/nfs/dbraw/zinc/70/19/62/185701962.db2.gz	BSIMRPDZGPNHRU-UHFFFAOYSA-N	-1	0	254.271	-0.145	50	0		CBAARM
O=C([O-])Cn1cnc(I)n1	ZINC000086788752	179333901	/nfs/dbraw/zinc/33/39/01/179333901.db2.gz	DGJGEMMKTVKZFE-UHFFFAOYSA-N	-1	0	252.999	-0.033	50	0		CBAARM
CCn1c(SCc2nnn[n-]2)nnc1-c1nonc1N	ZINC000012413688	351334027	/nfs/dbraw/zinc/33/40/27/351334027.db2.gz	IWJSFMHOSDXFIL-UHFFFAOYSA-N	-1	0	294.304	-0.264	50	0		CBAARM
Cn1ncc(NC(=O)c2c(C(=O)[O-])cnn2C)c1C(N)=O	ZINC000012397542	351334287	/nfs/dbraw/zinc/33/42/87/351334287.db2.gz	UMPNPZXGXSRDQL-UHFFFAOYSA-N	-1	0	292.255	-0.797	50	0		CBAARM
CS(=O)(=O)c1ccc(-c2nnn(CC(=O)[O-])n2)cc1	ZINC000000111857	351299341	/nfs/dbraw/zinc/29/93/41/351299341.db2.gz	WPMKGMLGEHKJJU-UHFFFAOYSA-N	-1	0	282.281	-0.172	50	0		CBAARM
Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCS3	ZINC000000369906	351300272	/nfs/dbraw/zinc/30/02/72/351300272.db2.gz	HEGSUQPYIHDBDC-UHFFFAOYSA-N	-1	0	282.281	-0.913	50	0		CBAARM
Cn1c2[nH]c(SCCC(=O)[O-])nc2c(=O)[nH]c1=O	ZINC000000315563	351300440	/nfs/dbraw/zinc/30/04/40/351300440.db2.gz	GAXJNUPAJYDNTQ-UHFFFAOYSA-N	-1	0	270.270	-0.483	50	0		CBAARM
Cc1ncc2c(c1O)[C@@H](c1c(=O)[nH]c(=O)n(C)c1[O-])OC2	ZINC000000490664	351301587	/nfs/dbraw/zinc/30/15/87/351301587.db2.gz	AYEFTMIFJPPRJO-JTQLQIEISA-N	-1	0	291.263	-0.192	50	0		CBAARM
O=c1[nH]c([O-])c([C@H](O)c2ccccc2O)c(=O)[nH]1	ZINC000000519711	351301674	/nfs/dbraw/zinc/30/16/74/351301674.db2.gz	WPBASTUWPXAMBN-MRVPVSSYSA-N	-1	0	250.210	-0.444	50	0		CBAARM
O=C([O-])CNC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000002484852	351309569	/nfs/dbraw/zinc/30/95/69/351309569.db2.gz	AKSVIMQNEDDJLH-UHFFFAOYSA-N	-1	0	276.248	-0.127	50	0		CBAARM
CCCCn1c2[nH]c(CC(=O)[O-])c(O)c2c(=O)n(C)c1=O	ZINC000003220556	351312791	/nfs/dbraw/zinc/31/27/91/351312791.db2.gz	RFAADQVAQAMCKM-ZETCQYMHSA-N	-1	0	295.295	-0.201	50	0		CBAARM
O=C([O-])CNC(=O)N1CCN(c2ccccn2)CC1	ZINC000035321305	351387676	/nfs/dbraw/zinc/38/76/76/351387676.db2.gz	VQKHOTMBNFPRFK-UHFFFAOYSA-N	-1	0	264.285	-0.002	50	0		CBAARM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000036967646	351395523	/nfs/dbraw/zinc/39/55/23/351395523.db2.gz	AIWDQGVOTGOVPK-ZCFIWIBFSA-N	-1	0	261.303	-0.212	50	0		CBAARM
CC[C@H](C)N(CC(=O)[O-])C(=O)CN1C(=O)CNC1=O	ZINC000037590553	351399259	/nfs/dbraw/zinc/39/92/59/351399259.db2.gz	URSFBDBASUKRMW-ZETCQYMHSA-N	-1	0	271.273	-0.750	50	0		CBAARM
NC(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])cs1	ZINC000016651305	351345547	/nfs/dbraw/zinc/34/55/47/351345547.db2.gz	LUABUBHWGQSGGY-UHFFFAOYSA-N	-1	0	278.311	-0.400	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2	ZINC000018173169	351348402	/nfs/dbraw/zinc/34/84/02/351348402.db2.gz	UZXHCDQZRFNILM-IUCAKERBSA-N	-1	0	291.238	-0.184	50	0		CBAARM
C[C@@H](Sc1nc2[nH]c(=O)n(C)c(=O)c2n1C)C(=O)[O-]	ZINC000019891335	351352008	/nfs/dbraw/zinc/35/20/08/351352008.db2.gz	CHSAUOPIHUNOHI-SCSAIBSYSA-N	-1	0	284.297	-0.062	50	0		CBAARM
C[C@H](CN(C)C(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699281	351436312	/nfs/dbraw/zinc/43/63/12/351436312.db2.gz	VUZQHBRMLBKLLK-RKDXNWHRSA-N	-1	0	292.357	-0.411	50	0		CBAARM
CC(C)N(CC(=O)[O-])C(=O)CN1C(=O)CN(C)C1=O	ZINC000037993787	351411575	/nfs/dbraw/zinc/41/15/75/351411575.db2.gz	CUBMAJMLKVUEPV-UHFFFAOYSA-N	-1	0	271.273	-0.798	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)[C@H](C)NC(=O)c1ccco1	ZINC000049606627	351495024	/nfs/dbraw/zinc/49/50/24/351495024.db2.gz	ZTJUEWRTKRUKIO-VIFPVBQESA-N	-1	0	298.295	-0.043	50	0		CBAARM
NC(=O)CNC(=O)c1csc([N-]c2ncccn2)n1	ZINC000049032231	351484050	/nfs/dbraw/zinc/48/40/50/351484050.db2.gz	XASPIJYCWXQOJN-UHFFFAOYSA-N	-1	0	278.297	-0.108	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000054052264	351531004	/nfs/dbraw/zinc/53/10/04/351531004.db2.gz	PGYXAPOHIYIYIX-JGVFFNPUSA-N	-1	0	278.330	-0.658	50	0		CBAARM
CO[N-]C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21	ZINC000056656415	351547778	/nfs/dbraw/zinc/54/77/78/351547778.db2.gz	JCZVZSZDBLAOSX-SSDOTTSWSA-N	-1	0	283.309	-0.209	50	0		CBAARM
O=C([O-])CNC(=O)Cn1nc(-c2ccco2)ccc1=O	ZINC000061718027	351570456	/nfs/dbraw/zinc/57/04/56/351570456.db2.gz	JKZGAJCYWUDLAL-UHFFFAOYSA-N	-1	0	277.236	-0.296	50	0		CBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)CN2CSCC2=O)C1	ZINC000062913357	351577080	/nfs/dbraw/zinc/57/70/80/351577080.db2.gz	UDOSDNFXAVDWDS-NSHDSACASA-N	-1	0	272.326	-0.158	50	0		CBAARM
NC(=O)CN1CCCn2nc(CCC(=O)[O-])cc2C1	ZINC000072477540	351648246	/nfs/dbraw/zinc/64/82/46/351648246.db2.gz	VGSWQCOBNPXHEP-UHFFFAOYSA-N	-1	0	266.301	-0.409	50	0		CBAARM
O=C(Cn1[n-]c(=O)ccc1=O)NCc1cccc(F)c1	ZINC000069351831	351627861	/nfs/dbraw/zinc/62/78/61/351627861.db2.gz	STTZULSCTWLAMG-UHFFFAOYSA-N	-1	0	277.255	-0.008	50	0		CBAARM
CC(=O)N1CCN(C(=O)CN2CCC[C@]2(C)C(=O)[O-])CC1	ZINC000079490451	351693473	/nfs/dbraw/zinc/69/34/73/351693473.db2.gz	WJNQJYMDJFPKJL-CQSZACIVSA-N	-1	0	297.355	-0.384	50	0		CBAARM
O=C([O-])c1cncnc1NCCN1CCOCC1	ZINC000084589761	351717102	/nfs/dbraw/zinc/71/71/02/351717102.db2.gz	BYIWMUBVVXYCDH-UHFFFAOYSA-N	-1	0	252.274	-0.081	50	0		CBAARM
Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000088375513	351725030	/nfs/dbraw/zinc/72/50/30/351725030.db2.gz	WZUCKLQCRAGBJE-NSHDSACASA-N	-1	0	281.312	-0.109	50	0		CBAARM
CC(C)O[C@@H](C)C(=O)N1CCc2c([n-]n(CCO)c2=O)C1	ZINC000097711839	351779639	/nfs/dbraw/zinc/77/96/39/351779639.db2.gz	QGQOAGVOLGQXKP-JTQLQIEISA-N	-1	0	297.355	-0.133	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2	ZINC000100059404	351780027	/nfs/dbraw/zinc/78/00/27/351780027.db2.gz	IHKLIUBWIVJJQB-UWVGGRQHSA-N	-1	0	287.275	-0.015	50	0		CBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100050498	351780265	/nfs/dbraw/zinc/78/02/65/351780265.db2.gz	ITXFNELSVHJYDM-BDAKNGLRSA-N	-1	0	273.248	-0.323	50	0		CBAARM
CCOC(=O)C(=CN[C@H](CO)C(=O)[O-])C(=O)OCC	ZINC000100699326	351781402	/nfs/dbraw/zinc/78/14/02/351781402.db2.gz	CTUCOVSESBKMPE-MRVPVSSYSA-N	-1	0	275.257	-0.968	50	0		CBAARM
Cc1cc(=O)n2nc(C(=O)N3CCOCC3)[n-]c2n1	ZINC000100650738	351781521	/nfs/dbraw/zinc/78/15/21/351781521.db2.gz	QCZOCSUGWUISTB-UHFFFAOYSA-N	-1	0	263.257	-0.802	50	0		CBAARM
CCCc1cc(C(=O)NCC[C@H](O)C(=O)[O-])n(C)n1	ZINC000095355308	351769661	/nfs/dbraw/zinc/76/96/61/351769661.db2.gz	OWDXKYNGEFLOMZ-JTQLQIEISA-N	-1	0	269.301	-0.062	50	0		CBAARM
Cn1nccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000095335339	351770298	/nfs/dbraw/zinc/77/02/98/351770298.db2.gz	SZUGQRPEAKPSNS-QMMMGPOBSA-N	-1	0	261.289	-0.047	50	0		CBAARM
CC(C)N1CC[C@H](NC(=O)C2(C(=O)[O-])CC2)C1=O	ZINC000118973410	351829853	/nfs/dbraw/zinc/82/98/53/351829853.db2.gz	LSGLMNULCORVLK-QMMMGPOBSA-N	-1	0	254.286	-0.023	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2cnnn2)c2ccccc21	ZINC000131969016	351889913	/nfs/dbraw/zinc/88/99/13/351889913.db2.gz	HKECRASIBUJRQJ-SECBINFHSA-N	-1	0	273.252	-0.112	50	0		CBAARM
C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(C)(=O)=O	ZINC000170621247	351998533	/nfs/dbraw/zinc/99/85/33/351998533.db2.gz	DEZWHJIGYIMZMW-SFYZADRCSA-N	-1	0	251.304	-0.354	50	0		CBAARM
O=C([O-])C[C@H]1COCCN1C(=O)Cn1ccnc1	ZINC000218692038	352236281	/nfs/dbraw/zinc/23/62/81/352236281.db2.gz	PAMQQOYCUMJUJI-VIFPVBQESA-N	-1	0	253.258	-0.415	50	0		CBAARM
C[C@H](NC(=O)CCCn1cncn1)c1nc(=O)[nH][nH]1	ZINC000216034922	352231631	/nfs/dbraw/zinc/23/16/31/352231631.db2.gz	PRDOYRVADMDRTO-ZETCQYMHSA-N	-1	0	265.277	-0.653	50	0		CBAARM
CN(CC(=O)[O-])C(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000237144583	352300230	/nfs/dbraw/zinc/30/02/30/352300230.db2.gz	YOMDCXRTWZSQQQ-UHFFFAOYSA-N	-1	0	275.268	-0.252	50	0		CBAARM
C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)[O-]	ZINC000237663303	352308095	/nfs/dbraw/zinc/30/80/95/352308095.db2.gz	AKJMIWDWIVXSEV-QMMMGPOBSA-N	-1	0	275.268	-0.206	50	0		CBAARM
O=C([O-])[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O	ZINC000262171378	352409147	/nfs/dbraw/zinc/40/91/47/352409147.db2.gz	VCWWXOTWITYWEH-MRVPVSSYSA-N	-1	0	276.314	-0.903	50	0		CBAARM
CC(C)[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)[O-]	ZINC000262245890	352412669	/nfs/dbraw/zinc/41/26/69/352412669.db2.gz	XFPOWQMFYHANRQ-JTQLQIEISA-N	-1	0	297.315	-0.795	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)[C@@H]1CCN(C)C(=O)C1	ZINC000262358322	352418293	/nfs/dbraw/zinc/41/82/93/352418293.db2.gz	CGBINCLBLYFLGQ-SECBINFHSA-N	-1	0	272.301	-0.586	50	0		CBAARM
O=C([O-])Cn1cc(CNC(=O)c2cc(C3CC3)n[nH]2)nn1	ZINC000262848477	352435795	/nfs/dbraw/zinc/43/57/95/352435795.db2.gz	WFUAFOSZLGELJE-UHFFFAOYSA-N	-1	0	290.283	-0.107	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000269171991	352463251	/nfs/dbraw/zinc/46/32/51/352463251.db2.gz	HYLUALLKDOCNGP-CPFSXVBKSA-N	-1	0	297.311	-0.362	50	0		CBAARM
CC1(C)C(=O)NC(=O)N1CC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000299746153	352728763	/nfs/dbraw/zinc/72/87/63/352728763.db2.gz	VRVRDVRJQMNMAP-ZDUSSCGKSA-N	-1	0	297.311	-0.360	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)COC[C@@H]1CCCO1	ZINC000299751728	352728904	/nfs/dbraw/zinc/72/89/04/352728904.db2.gz	RLMPMRQXMOROMN-UWVGGRQHSA-N	-1	0	273.285	-0.506	50	0		CBAARM
CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299744089	352729109	/nfs/dbraw/zinc/72/91/09/352729109.db2.gz	QUFFWXRTNVKWOP-SECBINFHSA-N	-1	0	277.342	-0.010	50	0		CBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000340195173	215481817	/nfs/dbraw/zinc/48/18/17/215481817.db2.gz	BKBUNFDMPHRABG-IUCAKERBSA-N	-1	0	272.326	-0.159	50	0		CBAARM
CCc1nc(C)c(CC(=O)NCC(=O)[O-])c(=O)[nH]1	ZINC000426428181	354241793	/nfs/dbraw/zinc/24/17/93/354241793.db2.gz	AMSBROGGCLKPBJ-UHFFFAOYSA-N	-1	0	253.258	-0.204	50	0		CBAARM
Cc1c(C(=O)N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)cnn1C	ZINC000426395949	354241962	/nfs/dbraw/zinc/24/19/62/354241962.db2.gz	LXCNHQCBCHPYGI-ZCFIWIBFSA-N	-1	0	292.299	-0.035	50	0		CBAARM
CCCN1C[C@@H](C(=O)NCCCc2nnn[n-]2)CCC1=O	ZINC000426526503	354243222	/nfs/dbraw/zinc/24/32/22/354243222.db2.gz	VAWXZVKKLFYFQL-JTQLQIEISA-N	-1	0	294.359	-0.103	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)Cn1nc2ccccc2n1	ZINC000426699867	354244110	/nfs/dbraw/zinc/24/41/10/354244110.db2.gz	DNJZMFLRTKUWMF-UHFFFAOYSA-N	-1	0	292.295	-0.009	50	0		CBAARM
CC(C)Cc1cc(CNC(=O)Cn2[n-]nnc2=N)on1	ZINC000584890747	355042529	/nfs/dbraw/zinc/04/25/29/355042529.db2.gz	NSRKTTSYZDGIRP-UHFFFAOYSA-N	-1	0	279.304	-0.411	50	0		CBAARM
CCc1nnc(CNC(=O)NCc2n[nH]c(=O)[n-]2)s1	ZINC000584888210	355042719	/nfs/dbraw/zinc/04/27/19/355042719.db2.gz	ULYRRIWJUSEMCY-UHFFFAOYSA-N	-1	0	283.317	-0.076	50	0		CBAARM
O=C([O-])CCN1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000035122378	304053286	/nfs/dbraw/zinc/05/32/86/304053286.db2.gz	CGJFVIFIDBVNOD-JTQLQIEISA-N	-1	0	256.302	-0.216	50	0		CBAARM
O=C([O-])C[C@@H]1COCCN1C(=O)CN1CSCC1=O	ZINC000128193768	304077886	/nfs/dbraw/zinc/07/78/86/304077886.db2.gz	XQUKBIUFRBXHIE-MRVPVSSYSA-N	-1	0	288.325	-0.779	50	0		CBAARM
O=C([O-])CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC000299749436	200856767	/nfs/dbraw/zinc/85/67/67/200856767.db2.gz	KHWMQNGLEYKYMA-SECBINFHSA-N	-1	0	277.280	-0.369	50	0		CBAARM
O=C([O-])[C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000262578943	304138472	/nfs/dbraw/zinc/13/84/72/304138472.db2.gz	FDQHVDXPAUWITF-KXUCPTDWSA-N	-1	0	287.337	-0.115	50	0		CBAARM
Cc1ccc(S(=O)(=O)NCCO)cc1C(=O)[O-]	ZINC000002713946	169821953	/nfs/dbraw/zinc/82/19/53/169821953.db2.gz	XKHFOCPFCGZXAC-UHFFFAOYSA-N	-1	0	259.283	-0.036	50	0		CBAARM
[NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000003645672	372753078	/nfs/dbraw/zinc/75/30/78/372753078.db2.gz	YZQCXOFQZKCETR-UWVGGRQHSA-N	-1	0	280.280	-0.400	50	0	endogenous,in-man	CBAARM
C[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000054310932	372763139	/nfs/dbraw/zinc/76/31/39/372763139.db2.gz	AWDWGNQLOHGSMA-DTWKUNHWSA-N	-1	0	292.357	-0.363	50	0		CBAARM
Cc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000223782383	372874483	/nfs/dbraw/zinc/87/44/83/372874483.db2.gz	YEOAYVFJELPHLH-RKDXNWHRSA-N	-1	0	284.268	-0.028	50	0		CBAARM
O=C([O-])[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21	ZINC000012390332	304174836	/nfs/dbraw/zinc/17/48/36/304174836.db2.gz	IJOVGHIIMNSTDU-LURJTMIESA-N	-1	0	294.267	-0.883	50	0		CBAARM
CN1C[C@@H](C(=O)N[C@]2(C(=O)[O-])CCSC2)CC1=O	ZINC000043510192	220193983	/nfs/dbraw/zinc/19/39/83/220193983.db2.gz	NCGYDATZCMMOJO-WRWORJQWSA-N	-1	0	272.326	-0.459	50	0		CBAARM
CNC(=O)C1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000261903487	190045631	/nfs/dbraw/zinc/04/56/31/190045631.db2.gz	WYNDAYNAUGFRIT-QMMMGPOBSA-N	-1	0	254.286	-0.164	50	0		CBAARM
Cc1cnn(C)c1S(=O)(=O)N(C)[C@H](C)C(=O)[O-]	ZINC000262065227	190047568	/nfs/dbraw/zinc/04/75/68/190047568.db2.gz	AVFHAJJSQCQZAP-SSDOTTSWSA-N	-1	0	261.303	-0.178	50	0		CBAARM
Cc1cnn(C)c1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	ZINC000262065230	190047893	/nfs/dbraw/zinc/04/78/93/190047893.db2.gz	AVFHAJJSQCQZAP-ZETCQYMHSA-N	-1	0	261.303	-0.178	50	0		CBAARM
C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)C(=O)[O-]	ZINC000262542243	190057304	/nfs/dbraw/zinc/05/73/04/190057304.db2.gz	RSUVIRHRUNRYAU-LURJTMIESA-N	-1	0	251.242	-0.369	50	0		CBAARM
O=C([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000072329981	304248736	/nfs/dbraw/zinc/24/87/36/304248736.db2.gz	BGDPPRWLIUKOOP-UWVGGRQHSA-N	-1	0	271.294	-0.045	50	0		CBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000105020404	304248806	/nfs/dbraw/zinc/24/88/06/304248806.db2.gz	HLDUHCYBUVVDOT-XWLWVQCSSA-N	-1	0	269.253	-0.764	50	0		CBAARM
O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCOC2=O)c1	ZINC000013249399	304265296	/nfs/dbraw/zinc/26/52/96/304265296.db2.gz	NCANXPQBPYADOG-VIFPVBQESA-N	-1	0	285.277	-0.021	50	0		CBAARM
COCCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O	ZINC000002028052	292354739	/nfs/dbraw/zinc/35/47/39/292354739.db2.gz	GMXUANDJYZKPIU-KEPMVKOISA-N	-1	0	267.281	-0.111	50	0		CBAARM
C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-]	ZINC000002365591	169787765	/nfs/dbraw/zinc/78/77/65/169787765.db2.gz	YCCSRMUVTXKWLS-QMMMGPOBSA-N	-1	0	290.279	-0.229	50	0		CBAARM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCO	ZINC000002671174	169819560	/nfs/dbraw/zinc/81/95/60/169819560.db2.gz	WGORYHSYKOIFNI-UHFFFAOYSA-N	-1	0	259.283	-0.036	50	0		CBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)/C=C/c1ccccc1	ZINC000004206431	169944196	/nfs/dbraw/zinc/94/41/96/169944196.db2.gz	RNZRVTZGMJXIGG-VOTSOKGWSA-N	-1	0	298.320	-0.223	50	0		CBAARM
COC(=O)Cc1cc(=O)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000005660174	170125072	/nfs/dbraw/zinc/12/50/72/170125072.db2.gz	OUIZYQVGWWQRAP-QMMMGPOBSA-N	-1	0	274.298	-0.675	50	0		CBAARM
COC(=O)Cc1cc(=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000005660173	170125099	/nfs/dbraw/zinc/12/50/99/170125099.db2.gz	OUIZYQVGWWQRAP-MRVPVSSYSA-N	-1	0	274.298	-0.675	50	0		CBAARM
C[C@H](C(=O)N[C@@H](C)C(=O)[O-])n1nnc2ccccc2c1=O	ZINC000008488765	170337669	/nfs/dbraw/zinc/33/76/69/170337669.db2.gz	WDFUJPVLSHMSLI-JGVFFNPUSA-N	-1	0	290.279	-0.058	50	0		CBAARM
Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC(=O)[O-]	ZINC000011693088	170433033	/nfs/dbraw/zinc/43/30/33/170433033.db2.gz	GZWJMDLCXDYYCO-UHFFFAOYSA-N	-1	0	277.240	-0.931	50	0		CBAARM
CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000019979471	170958326	/nfs/dbraw/zinc/95/83/26/170958326.db2.gz	WZAYWZWZOPSZDP-IUCAKERBSA-N	-1	0	292.357	-0.028	50	0		CBAARM
CC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000035409464	172180117	/nfs/dbraw/zinc/18/01/17/172180117.db2.gz	VPDJIBPCBZIIRW-BDAKNGLRSA-N	-1	0	292.357	-0.220	50	0		CBAARM
COCCN1C[C@H](C(=O)NCCC(=O)[O-])CC1=O	ZINC000037434028	173204620	/nfs/dbraw/zinc/20/46/20/173204620.db2.gz	MELXEFKXTYYXNZ-MRVPVSSYSA-N	-1	0	258.274	-0.928	50	0		CBAARM
O=C(CN1CSCC1=O)N[C@@]1(C(=O)[O-])CCSC1	ZINC000043510757	175060248	/nfs/dbraw/zinc/06/02/48/175060248.db2.gz	TXNKUZBPEASMNS-JTQLQIEISA-N	-1	0	290.366	-0.404	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CCO1	ZINC000049864894	175502090	/nfs/dbraw/zinc/50/20/90/175502090.db2.gz	OCXSXSHQMTUUSM-QMMMGPOBSA-N	-1	0	298.320	-0.210	50	0		CBAARM
CC(=O)CC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000004317522	544417141	/nfs/dbraw/zinc/41/71/41/544417141.db2.gz	JRAFPIONUNVZSX-MUWHJKNJSA-N	-1	0	256.283	-0.453	50	0		CBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)CCn2cncn2)C1	ZINC000062913041	544423761	/nfs/dbraw/zinc/42/37/61/544423761.db2.gz	LQLZSSORCUDEMI-NSHDSACASA-N	-1	0	252.274	-0.009	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NS(=O)(=O)C1CC1	ZINC000222389632	544489641	/nfs/dbraw/zinc/48/96/41/544489641.db2.gz	GLOBYYPIFVSWSK-RKDXNWHRSA-N	-1	0	279.314	-0.673	50	0		CBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(O)cn1	ZINC000222381603	544490150	/nfs/dbraw/zinc/49/01/50/544490150.db2.gz	HVIOTQFMCVVLTA-MWLCHTKSSA-N	-1	0	296.279	-0.224	50	0		CBAARM
CC1=NN(c2ccccc2)C(=O)[C@]1(O)S(=O)(=O)[O-]	ZINC000004545050	419405849	/nfs/dbraw/zinc/40/58/49/419405849.db2.gz	GFUNHOJTYIXWDD-SNVBAGLBSA-N	-1	0	270.266	-0.015	50	0		CBAARM
CN1CC[C@@H](C(=O)N2CCCC[C@H]2C(=O)[O-])S1(=O)=O	ZINC000647598522	419619186	/nfs/dbraw/zinc/61/91/86/419619186.db2.gz	QWQCASFYARECES-IUCAKERBSA-N	-1	0	290.341	-0.514	50	0		CBAARM
CC(=O)N1CCO[C@@H](CNc2nccnc2C(=O)[O-])C1	ZINC000584896782	544605601	/nfs/dbraw/zinc/60/56/01/544605601.db2.gz	ORTSVDMZWYCGRV-VIFPVBQESA-N	-1	0	280.284	-0.166	50	0		CBAARM
CC(=O)N1CCO[C@H](CNc2nccnc2C(=O)[O-])C1	ZINC000584896781	544606001	/nfs/dbraw/zinc/60/60/01/544606001.db2.gz	ORTSVDMZWYCGRV-SECBINFHSA-N	-1	0	280.284	-0.166	50	0		CBAARM
O=C(CN1CCCCCC1=O)N[C@H]1CCO[C@H]1C(=O)[O-]	ZINC000659169962	420401362	/nfs/dbraw/zinc/40/13/62/420401362.db2.gz	NIAAMVUPIZFWPI-JOYOIKCWSA-N	-1	0	284.312	-0.253	50	0		CBAARM
COc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1C	ZINC000585136724	420477375	/nfs/dbraw/zinc/47/73/75/420477375.db2.gz	QMEOXMTZLTVBAQ-UHFFFAOYSA-N	-1	0	283.313	0.328	50	0		CBAARM
Nc1cc(=O)[nH]c(CCNC(=O)[C@H]2CCC[C@H](O)C2)n1	ZINC000218943899	262348077	/nfs/dbraw/zinc/34/80/77/262348077.db2.gz	VWZDWHWRLXIQMH-IUCAKERBSA-N	-1	0	280.328	-0.026	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000342555693	278061741	/nfs/dbraw/zinc/06/17/41/278061741.db2.gz	BUYSLNPRQLUTKQ-RKDXNWHRSA-N	-1	0	272.326	-0.017	50	0		CBAARM
CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O	ZINC000037435064	281391769	/nfs/dbraw/zinc/39/17/69/281391769.db2.gz	RFZZYYLSFIGHBS-SSDOTTSWSA-N	-1	0	283.284	-0.608	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000037931964	289585794	/nfs/dbraw/zinc/58/57/94/289585794.db2.gz	JUTMTTDWZJBGAT-QMMMGPOBSA-N	-1	0	278.330	-0.657	50	0		CBAARM
Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000088376118	302737074	/nfs/dbraw/zinc/73/70/74/302737074.db2.gz	GSWDTKPQGMWRBQ-SECBINFHSA-N	-1	0	267.285	-0.037	50	0		CBAARM
Nc1ccnc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1	ZINC000095362689	303502256	/nfs/dbraw/zinc/50/22/56/303502256.db2.gz	RTUSSLJPTQZWLT-MRVPVSSYSA-N	-1	0	291.311	-0.382	50	0		CBAARM
CCCCN1C(=O)[N-]C(=O)C(=C(C)NCCO)C1=O	ZINC000020267547	528451259	/nfs/dbraw/zinc/45/12/59/528451259.db2.gz	LFVBVABMSUGTSY-CMDGGOBGSA-N	-1	0	269.301	-0.279	50	0		CBAARM
CC(C)C[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000170559391	528563895	/nfs/dbraw/zinc/56/38/95/528563895.db2.gz	BVJZYOGSVNDYCU-VIFPVBQESA-N	-1	0	297.311	-0.458	50	0		CBAARM
COC(=O)c1cn([C@@H](C(=O)[O-])[C@H](C)O)cc2c(=O)[nH]nc1-2	ZINC000888089100	584483123	/nfs/dbraw/zinc/48/31/23/584483123.db2.gz	HSJLMEADIOHYGV-SSDLBLMSSA-N	-1	0	295.251	-0.118	50	0		CBAARM
CN(C(=O)Cn1[n-]nnc1=N)[C@@H]1CCOC(C)(C)C1	ZINC000952966276	615829571	/nfs/dbraw/zinc/82/95/71/615829571.db2.gz	VCSPZORYXJLDKA-MRVPVSSYSA-N	-1	0	268.321	-0.498	50	0		CBAARM
CO[C@@]1(C(=O)[O-])CCN(C(=O)C2=NN(C)C(=O)CC2)C1	ZINC000703775668	656183933	/nfs/dbraw/zinc/18/39/33/656183933.db2.gz	GFSHIBMGJRQBQJ-LBPRGKRZSA-N	-1	0	283.284	-0.703	50	0		CBAARM
O=C([O-])C1(O)CN(S(=O)(=O)c2cccc(F)c2)C1	ZINC000706464411	656188324	/nfs/dbraw/zinc/18/83/24/656188324.db2.gz	WCDLTYACEMRKFJ-UHFFFAOYSA-N	-1	0	275.257	-0.354	50	0		CBAARM
CCN(C(=O)C1=NN(C)C(=O)CC1)[C@@H](C)C(=O)[O-]	ZINC000707910711	656190689	/nfs/dbraw/zinc/19/06/89/656190689.db2.gz	SQOOZWLUKQIBEZ-ZETCQYMHSA-N	-1	0	255.274	-0.084	50	0		CBAARM
O=C([O-])c1nc(C(=O)N2CCO[C@H](CO)C2)cs1	ZINC000227272513	790432945	/nfs/dbraw/zinc/43/29/45/790432945.db2.gz	MLCMCZFDTAOJBP-LURJTMIESA-N	-1	0	272.282	-0.325	50	0		CBAARM
CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000585139515	790636326	/nfs/dbraw/zinc/63/63/26/790636326.db2.gz	JYIPGPUXCPXCPS-ZJUUUORDSA-N	-1	0	258.318	-0.114	50	0		CBAARM
COC(=O)c1[n-]n(C)c(=O)c1C(=O)Nc1ccccn1	ZINC000585138095	790636530	/nfs/dbraw/zinc/63/65/30/790636530.db2.gz	NVHTYGPFZPFDAI-QMMMGPOBSA-N	-1	0	276.252	-0.363	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCCCc1ccccc1	ZINC000827863916	790870721	/nfs/dbraw/zinc/87/07/21/790870721.db2.gz	BJTOSRPWDORKHC-UHFFFAOYSA-N	-1	0	260.301	-0.165	50	0		CBAARM
CC(C)(C[N@@H+]1CCO[C@@H](C(=O)[O-])C1)N1CCOCC1	ZINC000828488890	790879121	/nfs/dbraw/zinc/87/91/21/790879121.db2.gz	CYLLUROAPYQXKC-LLVKDONJSA-N	-1	0	272.345	-0.117	50	0		CBAARM
N=c1nn[n-]n1CC(=O)NCc1ccc2c(c1)CCCO2	ZINC001506412850	921577202	/nfs/dbraw/zinc/57/72/02/921577202.db2.gz	FJVZMLNVVXBGBF-UHFFFAOYSA-N	-1	0	288.311	-0.273	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N[C@@H]1COc2ccccc2C1	ZINC001506409264	921578835	/nfs/dbraw/zinc/57/88/35/921578835.db2.gz	GKSGUDZHXKBULQ-VIFPVBQESA-N	-1	0	274.284	-0.794	50	0		CBAARM
COC(=O)CSc1nn2c([n-]1)nc(C)cc2=O	ZINC000100137562	185706677	/nfs/dbraw/zinc/70/66/77/185706677.db2.gz	FLAHXZHRNKYTAO-UHFFFAOYSA-N	-1	0	254.271	-0.009	50	0		CBAARM
O=C([O-])CNC(=O)Cn1cnc2ccccc2c1=O	ZINC000000109907	351298008	/nfs/dbraw/zinc/29/80/08/351298008.db2.gz	OCBWGFQPVABULW-UHFFFAOYSA-N	-1	0	261.237	-0.403	50	0		CBAARM
O=C1[N-]C(=O)C(O)(c2c[nH]c3ccccc32)C(=O)N1	ZINC000001023909	351301315	/nfs/dbraw/zinc/30/13/15/351301315.db2.gz	SQDZFCQVVCJCMF-UHFFFAOYSA-N	-1	0	259.221	-0.279	50	0		CBAARM
CCNc1nc(C(=O)[O-])nc(N2CCOCC2)n1	ZINC000000806663	351301375	/nfs/dbraw/zinc/30/13/75/351301375.db2.gz	CVTXDUNENNGTKI-UHFFFAOYSA-N	-1	0	253.262	-0.162	50	0		CBAARM
COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000001264992	351302948	/nfs/dbraw/zinc/30/29/48/351302948.db2.gz	XRKMSYJHCXTPKW-VIFPVBQESA-N	-1	0	275.282	-0.581	50	0		CBAARM
COC(=O)CC(=S)NN=c1nc(N)nc(C)[n-]1	ZINC000001253136	351303053	/nfs/dbraw/zinc/30/30/53/351303053.db2.gz	ZDJDJOGCAYTNFA-UHFFFAOYSA-N	-1	0	256.291	-0.431	50	0		CBAARM
Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1	ZINC000002031711	351307097	/nfs/dbraw/zinc/30/70/97/351307097.db2.gz	VZCCSZRICJFBSI-SECBINFHSA-N	-1	0	286.309	-0.398	50	0		CBAARM
[NH3+][C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000002242693	351307780	/nfs/dbraw/zinc/30/77/80/351307780.db2.gz	XHHOHZPNYFQJKL-QWRGUYRKSA-N	-1	0	294.307	-0.009	50	0	endogenous,in-man	CBAARM
Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cn1	ZINC000002537684	351309069	/nfs/dbraw/zinc/30/90/69/351309069.db2.gz	LZAOQDXYLIICDX-QMMMGPOBSA-N	-1	0	273.314	-0.095	50	0		CBAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@H]2SC1	ZINC000003861379	351315230	/nfs/dbraw/zinc/31/52/30/351315230.db2.gz	HSHGZXNAXBPPDL-HZGVNTEJSA-N	-1	0	272.282	-0.869	50	0	in-vitro	CBAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000004294769	351317727	/nfs/dbraw/zinc/31/77/27/351317727.db2.gz	HSHGZXNAXBPPDL-MUWHJKNJSA-N	-1	0	272.282	-0.869	50	0	in-vitro	CBAARM
CC(=O)NCCNS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000013308475	351336243	/nfs/dbraw/zinc/33/62/43/351336243.db2.gz	PFVRKBQWOLZEPV-UHFFFAOYSA-N	-1	0	292.338	-0.139	50	0		CBAARM
O=C([O-])CCc1nnc2ccc(N3CCOCC3)nn21	ZINC000006769701	351325871	/nfs/dbraw/zinc/32/58/71/351325871.db2.gz	WRQIXLWGHPJKRT-UHFFFAOYSA-N	-1	0	277.284	-0.022	50	0		CBAARM
O=C([O-])Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1	ZINC000011920155	351330640	/nfs/dbraw/zinc/33/06/40/351330640.db2.gz	FPKWJFFHDROLCN-LURJTMIESA-N	-1	0	269.282	-0.013	50	0		CBAARM
O=C([O-])Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1	ZINC000011920156	351330870	/nfs/dbraw/zinc/33/08/70/351330870.db2.gz	FPKWJFFHDROLCN-ZCFIWIBFSA-N	-1	0	269.282	-0.013	50	0		CBAARM
O=C([O-])CCCn1nnnc1CN1CCOCC1	ZINC000034925451	351384789	/nfs/dbraw/zinc/38/47/89/351384789.db2.gz	QGEWRWNPVHWFQF-UHFFFAOYSA-N	-1	0	255.278	-0.630	50	0		CBAARM
Cc1cc(C)n(CCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])n1	ZINC000036976067	351394967	/nfs/dbraw/zinc/39/49/67/351394967.db2.gz	IGEXUKQGXLYWTL-MNOVXSKESA-N	-1	0	281.312	-0.064	50	0		CBAARM
O=C([O-])c1ccc(NC(=O)Cn2cnnn2)cc1O	ZINC000019514376	351350391	/nfs/dbraw/zinc/35/03/91/351350391.db2.gz	XJGFIERIXLEBPJ-UHFFFAOYSA-N	-1	0	263.213	-0.284	50	0		CBAARM
CC(C)C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC000019979467	351353456	/nfs/dbraw/zinc/35/34/56/351353456.db2.gz	WZAYWZWZOPSZDP-BDAKNGLRSA-N	-1	0	292.357	-0.028	50	0		CBAARM
CC(=O)N[C@@H](C(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC000039346638	351414258	/nfs/dbraw/zinc/41/42/58/351414258.db2.gz	JRVRHJSMHHKUKE-GXSJLCMTSA-N	-1	0	251.238	-0.181	50	0		CBAARM
COC(=O)c1[nH]c(=O)[n-]c(=O)c1I	ZINC000040566613	351417054	/nfs/dbraw/zinc/41/70/54/351417054.db2.gz	GPLIKJXNEXUIGI-UHFFFAOYSA-N	-1	0	296.020	-0.546	50	0		CBAARM
COCC[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)C(=O)[O-]	ZINC000052785006	351521531	/nfs/dbraw/zinc/52/15/31/351521531.db2.gz	QGGUJNPPVJNDAE-ZJUUUORDSA-N	-1	0	286.328	-0.151	50	0		CBAARM
C[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000054310930	351532934	/nfs/dbraw/zinc/53/29/34/351532934.db2.gz	AWDWGNQLOHGSMA-BDAKNGLRSA-N	-1	0	292.357	-0.363	50	0		CBAARM
CC1(C)[C@H](C(=O)Nc2c[nH]c(=O)[nH]c2=O)[C@@H]1C(=O)[O-]	ZINC000061721509	351570889	/nfs/dbraw/zinc/57/08/89/351570889.db2.gz	HGMIOBADWSHESY-NTSWFWBYSA-N	-1	0	267.241	-0.642	50	0		CBAARM
CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000061721510	351571148	/nfs/dbraw/zinc/57/11/48/351571148.db2.gz	HGMIOBADWSHESY-PHDIDXHHSA-N	-1	0	267.241	-0.642	50	0		CBAARM
O=C([O-])CCc1cc2n(n1)CCN(C(CO)CO)C2	ZINC000072481130	351648055	/nfs/dbraw/zinc/64/80/55/351648055.db2.gz	GKIKBDIHKMDELN-UHFFFAOYSA-N	-1	0	269.301	-0.931	50	0		CBAARM
O=c1[n-]c(CCCn2c(=O)[nH]c3ccccc3c2=O)n[nH]1	ZINC000089866516	351734015	/nfs/dbraw/zinc/73/40/15/351734015.db2.gz	PCSZVJKTNGUVFG-UHFFFAOYSA-N	-1	0	287.279	-0.266	50	0		CBAARM
O=C([O-])CCOCCOCCN1C(=O)C=CC1=O	ZINC000096300340	351775119	/nfs/dbraw/zinc/77/51/19/351775119.db2.gz	TXMDOUPVKVGPIS-UHFFFAOYSA-N	-1	0	257.242	-0.581	50	0	in-vitro	CBAARM
Cc1nc(N(C)C)ncc1C(=O)NCc1nnn[n-]1	ZINC000095353517	351769407	/nfs/dbraw/zinc/76/94/07/351769407.db2.gz	GJPHYXQHMYASRL-UHFFFAOYSA-N	-1	0	262.277	-0.706	50	0		CBAARM
O=C([O-])CCNC(=O)CNC(=O)c1cn2ccsc2n1	ZINC000095369177	351770056	/nfs/dbraw/zinc/77/00/56/351770056.db2.gz	MEHBFZUCVRZZMR-UHFFFAOYSA-N	-1	0	296.308	-0.284	50	0		CBAARM
CC(C)(CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000147569743	351928294	/nfs/dbraw/zinc/92/82/94/351928294.db2.gz	ZOMCKRRZTFKYSG-QMMMGPOBSA-N	-1	0	292.357	-0.363	50	0		CBAARM
C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])S(C)(=O)=O	ZINC000135172600	351912219	/nfs/dbraw/zinc/91/22/19/351912219.db2.gz	OUSDAXIDOJRHRK-YUMQZZPRSA-N	-1	0	263.315	-0.115	50	0		CBAARM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1nnn(C)n1	ZINC000229787514	352268442	/nfs/dbraw/zinc/26/84/42/352268442.db2.gz	FOUYBRDMOZDQND-UHFFFAOYSA-N	-1	0	297.296	-0.203	50	0		CBAARM
Cn1cncc1C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000241277686	352316071	/nfs/dbraw/zinc/31/60/71/352316071.db2.gz	LIFYXKGZJMERIL-UHFFFAOYSA-N	-1	0	258.303	-0.510	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)[C@H]1CCN(C)C(=O)C1	ZINC000262359153	352417833	/nfs/dbraw/zinc/41/78/33/352417833.db2.gz	CGBINCLBLYFLGQ-VIFPVBQESA-N	-1	0	272.301	-0.586	50	0		CBAARM
CC(C)CS(=O)(=O)CC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262978984	352436357	/nfs/dbraw/zinc/43/63/57/352436357.db2.gz	MSEWTKPGJDGVDW-VIFPVBQESA-N	-1	0	293.341	-0.631	50	0		CBAARM
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262915255	352436517	/nfs/dbraw/zinc/43/65/17/352436517.db2.gz	DGDCKOJIIJBXDG-DCAQKATOSA-N	-1	0	287.312	-0.118	50	0		CBAARM
CN(CC(=O)[O-])C(=O)CCCN1C(=O)NC(C)(C)C1=O	ZINC000269124047	352461712	/nfs/dbraw/zinc/46/17/12/352461712.db2.gz	IKJNTWRARSAXLX-UHFFFAOYSA-N	-1	0	285.300	-0.360	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)CN1C(=O)NC(=O)C1(C)C	ZINC000299751818	352728545	/nfs/dbraw/zinc/72/85/45/352728545.db2.gz	RXFUVDAALZQXGC-UHFFFAOYSA-N	-1	0	271.273	-0.750	50	0		CBAARM
CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000299748597	352728697	/nfs/dbraw/zinc/72/86/97/352728697.db2.gz	HOZNIVDFXFBQRC-QMMMGPOBSA-N	-1	0	280.284	-0.304	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)CCOC[C@@H]1CCCO1	ZINC000299752487	352728808	/nfs/dbraw/zinc/72/88/08/352728808.db2.gz	UHCPMTDLBXDLCL-QWRGUYRKSA-N	-1	0	287.312	-0.116	50	0		CBAARM
CN(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)S(C)(=O)=O	ZINC000299744636	352729073	/nfs/dbraw/zinc/72/90/73/352729073.db2.gz	PNUJXECCHDWKMA-JTQLQIEISA-N	-1	0	278.330	-0.799	50	0		CBAARM
CN(CC(=O)[O-])c1cc([C@H]2CCOC2)nc(NCCO)n1	ZINC000299764586	352729764	/nfs/dbraw/zinc/72/97/64/352729764.db2.gz	BBGHVGXJSQYIFH-VIFPVBQESA-N	-1	0	296.327	-0.095	50	0		CBAARM
CN(Cc1n[nH]c(=O)[n-]1)C(=O)CCCN1CCCC1=O	ZINC000299779344	352730322	/nfs/dbraw/zinc/73/03/22/352730322.db2.gz	VBXSDNKTDXGGDY-UHFFFAOYSA-N	-1	0	281.316	-0.541	50	0		CBAARM
CC(C)CN1C[C@H](C(=O)NCCc2nnn[n-]2)CCC1=O	ZINC000299801881	352731233	/nfs/dbraw/zinc/73/12/33/352731233.db2.gz	ZWLRAKJVYUCFFI-SNVBAGLBSA-N	-1	0	294.359	-0.247	50	0		CBAARM
O=C([O-])C[C@H]1CN(C(=O)COC[C@H]2CCCO2)CCO1	ZINC000408513488	353926326	/nfs/dbraw/zinc/92/63/26/353926326.db2.gz	ZFJGNFPBGHVAOG-MNOVXSKESA-N	-1	0	287.312	-0.116	50	0		CBAARM
COC[C@@H]1CCCN1C(=O)NCCCc1nnn[n-]1	ZINC000426361137	354242160	/nfs/dbraw/zinc/24/21/60/354242160.db2.gz	CBRSPAHUCUWZPD-VIFPVBQESA-N	-1	0	268.321	-0.047	50	0		CBAARM
O=C([O-])[C@@H]1CCCCN1C(=O)CCn1cnnn1	ZINC000426618472	354242918	/nfs/dbraw/zinc/24/29/18/354242918.db2.gz	XPSFWYYCJBUMQD-QMMMGPOBSA-N	-1	0	253.262	-0.471	50	0		CBAARM
CC[C@H](NC(=O)c1cnc2c(O)cccn2c1=O)C(=O)[O-]	ZINC000426593553	354242967	/nfs/dbraw/zinc/24/29/67/354242967.db2.gz	DGMCWSBCGPHMEG-QMMMGPOBSA-N	-1	0	291.263	-0.007	50	0		CBAARM
O=C([O-])CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O	ZINC000407985055	304048146	/nfs/dbraw/zinc/04/81/46/304048146.db2.gz	QPFQYMONYBAUCY-OOZYFLPDSA-N	-1	0	276.314	-0.522	50	0		CBAARM
O=C([O-])Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O	ZINC000004218796	304090515	/nfs/dbraw/zinc/09/05/15/304090515.db2.gz	XPFDWZAZTFWOQS-ZETCQYMHSA-N	-1	0	258.205	-0.457	50	0		CBAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000238855649	304099816	/nfs/dbraw/zinc/09/98/16/304099816.db2.gz	SISPNTRQQLNRHH-IVZWLZJFSA-N	-1	0	287.337	-0.043	50	0		CBAARM
CN1C[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)CC1=O	ZINC000299752194	200857402	/nfs/dbraw/zinc/85/74/02/200857402.db2.gz	SUTSGLPNKYZEAJ-VIFPVBQESA-N	-1	0	284.312	-0.443	50	0		CBAARM
O=C([O-])[C@@H]1CN(C(=O)COCC(F)(F)F)CCO1	ZINC000224807555	189742829	/nfs/dbraw/zinc/74/28/29/189742829.db2.gz	RQDUWTNYJGHRDY-LURJTMIESA-N	-1	0	271.191	-0.123	50	0		CBAARM
[NH3+][C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000004534014	372752768	/nfs/dbraw/zinc/75/27/68/372752768.db2.gz	YZQCXOFQZKCETR-VHSXEESVSA-N	-1	0	280.280	-0.400	50	0	endogenous,in-man	CBAARM
CCn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cn1	ZINC000222490941	372872549	/nfs/dbraw/zinc/87/25/49/372872549.db2.gz	ZIPBTMOLACWZJK-MNOVXSKESA-N	-1	0	297.311	-0.109	50	0		CBAARM
O=C([O-])c1n[nH]c2c1CN(C(=O)CN1CCOCC1)CC2	ZINC000244633177	189908039	/nfs/dbraw/zinc/90/80/39/189908039.db2.gz	FYJHHNPCYICYOB-UHFFFAOYSA-N	-1	0	294.311	-0.675	50	0		CBAARM
CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000252424004	189973802	/nfs/dbraw/zinc/97/38/02/189973802.db2.gz	DGKGSOPKJPITIL-DJLDLDEBSA-N	-1	0	275.326	-0.257	50	0		CBAARM
CCN1C[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)CC1=O	ZINC000262999806	190065656	/nfs/dbraw/zinc/06/56/56/190065656.db2.gz	PQDUXKYPUSHEAT-QMMMGPOBSA-N	-1	0	280.284	-0.225	50	0		CBAARM
CNS(=O)(=O)c1csc(C(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000262685070	190060826	/nfs/dbraw/zinc/06/08/26/190060826.db2.gz	DAMODWKFCBBFLP-YFKPBYRVSA-N	-1	0	292.338	-0.141	50	0		CBAARM
CC(C)COC(=O)[C@@H](C)Nc1n[nH]c(=O)[n-]c1=O	ZINC000000128241	169546191	/nfs/dbraw/zinc/54/61/91/169546191.db2.gz	HZQPTGTZWVPZLS-ZCFIWIBFSA-N	-1	0	256.262	-0.542	50	0		CBAARM
CC(=O)N[C@@H](C(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC000039346637	184546737	/nfs/dbraw/zinc/54/67/37/184546737.db2.gz	JRVRHJSMHHKUKE-ONGXEEELSA-N	-1	0	251.238	-0.181	50	0		CBAARM
C[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C(=O)[O-]	ZINC000235368252	296374087	/nfs/dbraw/zinc/37/40/87/296374087.db2.gz	NACOMEOPVHWKSH-KHQFGBGNSA-N	-1	0	254.286	-0.023	50	0		CBAARM
O=C([O-])C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)CCO1	ZINC000408513491	220551956	/nfs/dbraw/zinc/55/19/56/220551956.db2.gz	ZFJGNFPBGHVAOG-WDEREUQCSA-N	-1	0	287.312	-0.116	50	0		CBAARM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1	ZINC000378183966	533347835	/nfs/dbraw/zinc/34/78/35/533347835.db2.gz	QTSBWRPPRVEDOS-YUMQZZPRSA-N	-1	0	280.284	-0.306	50	0		CBAARM
COc1nccnc1N1CCC(O)(C(=O)[O-])CC1	ZINC000071765364	134976585	/nfs/dbraw/zinc/97/65/85/134976585.db2.gz	DOWPSOABXYVMSV-UHFFFAOYSA-N	-1	0	253.258	-0.099	50	0		CBAARM
NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000001985800	169765537	/nfs/dbraw/zinc/76/55/37/169765537.db2.gz	PQTYDOPYQOAELL-SSDOTTSWSA-N	-1	0	284.293	-0.229	50	0		CBAARM
CC(C)NC(=O)CN1CCN(C(=O)CCCC(=O)[O-])CC1	ZINC000004704082	170002046	/nfs/dbraw/zinc/00/20/46/170002046.db2.gz	YLFSMIWNGXYTKN-UHFFFAOYSA-N	-1	0	299.371	-0.090	50	0		CBAARM
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000004716685	170004119	/nfs/dbraw/zinc/00/41/19/170004119.db2.gz	QEINYUWYDDOZLQ-UHFFFAOYSA-N	-1	0	284.293	-0.066	50	0		CBAARM
Cn1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000004944991	170043787	/nfs/dbraw/zinc/04/37/87/170043787.db2.gz	RKYIHXMEFXISKO-UHFFFAOYSA-N	-1	0	273.314	-0.095	50	0		CBAARM
O=c1[n-]c(=O)c(SCc2cn3cccnc3n2)n[nH]1	ZINC000006982642	170260535	/nfs/dbraw/zinc/26/05/35/170260535.db2.gz	FHAACSZXNBSQQZ-UHFFFAOYSA-N	-1	0	276.281	-0.207	50	0		CBAARM
CCOCCOC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]c1=O	ZINC000008607914	170342541	/nfs/dbraw/zinc/34/25/41/170342541.db2.gz	FGSATLXWKQXRKL-LURJTMIESA-N	-1	0	289.313	-0.482	50	0		CBAARM
Cc1nn(C)cc1S(=O)(=O)n1ccc(C(=O)[O-])n1	ZINC000012397883	170485001	/nfs/dbraw/zinc/48/50/01/170485001.db2.gz	DLRCPVOHYKSOOW-UHFFFAOYSA-N	-1	0	270.270	-0.140	50	0		CBAARM
O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1	ZINC000013028267	170529640	/nfs/dbraw/zinc/52/96/40/170529640.db2.gz	WHJVNTOKMOUOMI-SCZZXKLOSA-N	-1	0	271.294	-0.105	50	0		CBAARM
CSCC[C@H](NC(=O)CN1CCCC1=O)C(=O)[O-]	ZINC000020258264	171113411	/nfs/dbraw/zinc/11/34/11/171113411.db2.gz	SGHXGYZZIAHCBO-QMMMGPOBSA-N	-1	0	274.342	-0.069	50	0		CBAARM
Cn1c2ccc(NC(=O)COCC(=O)[O-])cc2n(C)c1=O	ZINC000020428169	171193694	/nfs/dbraw/zinc/19/36/94/171193694.db2.gz	NXOMHWZAYSWVRP-UHFFFAOYSA-N	-1	0	293.279	-0.083	50	0		CBAARM
O=C([O-])CN1CCN(Cc2ccccc2)C(=O)C1=O	ZINC000021925459	171337266	/nfs/dbraw/zinc/33/72/66/171337266.db2.gz	TXTMIOAHVBYUKN-UHFFFAOYSA-N	-1	0	262.265	-0.058	50	0		CBAARM
O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1	ZINC000021962946	171343300	/nfs/dbraw/zinc/34/33/00/171343300.db2.gz	WHJVNTOKMOUOMI-PSASIEDQSA-N	-1	0	271.294	-0.105	50	0		CBAARM
O=C([O-])CNC(=O)CNC(=O)Cn1ccc2ccccc21	ZINC000040313096	174231958	/nfs/dbraw/zinc/23/19/58/174231958.db2.gz	CEFOYQJMGXGKSQ-UHFFFAOYSA-N	-1	0	289.291	-0.042	50	0		CBAARM
CS(=O)(=O)[N-]C(=O)Cn1cnc2ccc(F)cc2c1=O	ZINC000040544111	174324398	/nfs/dbraw/zinc/32/43/98/174324398.db2.gz	OASGNUCDNSJPPT-UHFFFAOYSA-N	-1	0	299.283	-0.389	50	0		CBAARM
O=C([O-])[C@@H]1CCN(C(=O)CN2CSCC2=O)C1	ZINC000062118369	175663809	/nfs/dbraw/zinc/66/38/09/175663809.db2.gz	YKLCRUDSBQWYTR-SSDOTTSWSA-N	-1	0	258.299	-0.548	50	0		CBAARM
CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)[O-])s1	ZINC000071372306	176137571	/nfs/dbraw/zinc/13/75/71/176137571.db2.gz	DTQBRUSKBVZGRN-UHFFFAOYSA-N	-1	0	292.338	-0.253	50	0		CBAARM
O=C([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000072329983	176370168	/nfs/dbraw/zinc/37/01/68/176370168.db2.gz	BGDPPRWLIUKOOP-VHSXEESVSA-N	-1	0	271.294	-0.045	50	0		CBAARM
C[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1C(=O)[O-]	ZINC000235676597	299825250	/nfs/dbraw/zinc/82/52/50/299825250.db2.gz	NACOMEOPVHWKSH-NRPADANISA-N	-1	0	254.286	-0.023	50	0		CBAARM
CC(=O)CC1=C(C(=O)[O-])N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000004317541	544417087	/nfs/dbraw/zinc/41/70/87/544417087.db2.gz	JRAFPIONUNVZSX-RCOVLWMOSA-N	-1	0	256.283	-0.453	50	0		CBAARM
O=C([O-])C[C@H]1CN(C(=O)CCn2ccccc2=O)CCO1	ZINC000091293602	544439891	/nfs/dbraw/zinc/43/98/91/544439891.db2.gz	KQWGKLHBEUBWRJ-NSHDSACASA-N	-1	0	294.307	-0.060	50	0		CBAARM
C[C@@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C(=O)[O-]	ZINC000263047306	544522506	/nfs/dbraw/zinc/52/25/06/544522506.db2.gz	KAPWBLBUEWXUHB-GMSGAONNSA-N	-1	0	295.299	-0.911	50	0		CBAARM
Cc1ccc(NC(=O)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000104095685	419479567	/nfs/dbraw/zinc/47/95/67/419479567.db2.gz	VOOFBTWTNZFNKS-UHFFFAOYSA-N	-1	0	261.237	-0.084	50	0		CBAARM
O=C([O-])[C@@H]1COCCN1C(=O)CN1CCCCC1=O	ZINC000663025581	419812485	/nfs/dbraw/zinc/81/24/85/419812485.db2.gz	ATQLVMUZTXLPNI-VIFPVBQESA-N	-1	0	270.285	-0.689	50	0		CBAARM
CC(C)Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)nc(N)n1	ZINC000426389189	420265939	/nfs/dbraw/zinc/26/59/39/420265939.db2.gz	BESVMXRWXRCFIU-XCBNKYQSSA-N	-1	0	296.327	-0.179	50	0		CBAARM
O=C([O-])Cn1cnc2c1ncnc2N1CCOCC1	ZINC000524728978	420395536	/nfs/dbraw/zinc/39/55/36/420395536.db2.gz	OIKDFYOXVUILOW-UHFFFAOYSA-N	-1	0	263.257	-0.253	50	0		CBAARM
CC(=O)N1CC[C@@H](NC(=O)c2cc(=O)[n-]o2)[C@H](O)C1	ZINC000244873485	278052329	/nfs/dbraw/zinc/05/23/29/278052329.db2.gz	WRENSPRIKRDUQZ-HTQZYQBOSA-N	-1	0	269.257	-0.908	50	0		CBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000328595432	278062219	/nfs/dbraw/zinc/06/22/19/278062219.db2.gz	VDGLLPWRVKPANJ-BDAKNGLRSA-N	-1	0	288.325	-0.780	50	0		CBAARM
CC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000035409465	288025199	/nfs/dbraw/zinc/02/51/99/288025199.db2.gz	VPDJIBPCBZIIRW-DTWKUNHWSA-N	-1	0	292.357	-0.220	50	0		CBAARM
CN1CCN(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	ZINC000006126038	290048398	/nfs/dbraw/zinc/04/83/98/290048398.db2.gz	RKFNFMGCNUMUJY-WDEREUQCSA-N	-1	0	267.329	-0.068	50	0		CBAARM
O=CNc1nonc1[N-]N=c1[nH]onc1NC=O	ZINC000002347670	304724310	/nfs/dbraw/zinc/72/43/10/304724310.db2.gz	NEDPXFVPFMPSME-UHFFFAOYSA-N	-1	0	254.166	-0.972	50	0		CBAARM
NC(=O)c1sc2[nH]c(=O)c(C(=O)[O-])cc2c1N	ZINC000002334380	303353343	/nfs/dbraw/zinc/35/33/43/303353343.db2.gz	IJPRMOALSOFOIH-UHFFFAOYSA-N	-1	0	253.239	-0.031	50	0		CBAARM
Cn1cc(NC(=O)CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cn1	ZINC000534665427	328344993	/nfs/dbraw/zinc/34/49/93/328344993.db2.gz	LJXLZUSYYGAGFE-JZYVYDRUSA-N	-1	0	264.285	-0.379	50	0		CBAARM
CCN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1nccn1C	ZINC000385224722	330382011	/nfs/dbraw/zinc/38/20/11/330382011.db2.gz	ROQVMCOWFKTCHB-IUCAKERBSA-N	-1	0	253.258	-0.207	50	0		CBAARM
Cc1cc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])no1	ZINC000257648547	567931095	/nfs/dbraw/zinc/93/10/95/567931095.db2.gz	BLEYHXNQOCVIPL-SECBINFHSA-N	-1	0	254.242	-0.162	50	0		CBAARM
CC(C)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)[O-]	ZINC000819967381	582546305	/nfs/dbraw/zinc/54/63/05/582546305.db2.gz	UMFPPVCSUHKAAT-NKWVEPMBSA-N	-1	0	271.273	-0.800	50	0		CBAARM
COC(=O)c1cn([C@@H](C(=O)[O-])[C@@H](C)O)cc2c(=O)[nH]nc1-2	ZINC000888089099	584483116	/nfs/dbraw/zinc/48/31/16/584483116.db2.gz	HSJLMEADIOHYGV-MLUIRONXSA-N	-1	0	295.251	-0.118	50	0		CBAARM
Cc1cc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)no1	ZINC000257671000	600929187	/nfs/dbraw/zinc/92/91/87/600929187.db2.gz	HAGVFKVPFNIPCS-SECBINFHSA-N	-1	0	254.242	-0.162	50	0		CBAARM
Cn1ncc(C(=O)[O-])c1C(=O)NN1CCOCC1	ZINC000012397399	655995539	/nfs/dbraw/zinc/99/55/39/655995539.db2.gz	GUCYUWUVYYQRGF-UHFFFAOYSA-N	-1	0	254.246	-0.905	50	0		CBAARM
COCCN(CC(=O)[O-])C(=O)CN1CCC[C@@H](O)C1	ZINC000426505771	656168788	/nfs/dbraw/zinc/16/87/88/656168788.db2.gz	LYOIILCPBBYSGY-SNVBAGLBSA-N	-1	0	274.317	-0.997	50	0		CBAARM
CN(CC(=O)N1CCO[C@H](C(=O)[O-])C1)Cc1ccncc1	ZINC000426495890	656168844	/nfs/dbraw/zinc/16/88/44/656168844.db2.gz	XSKBDSZPLCOABW-LBPRGKRZSA-N	-1	0	293.323	-0.175	50	0		CBAARM
N=c1nn[n-]n1CC(=O)N(CC1CCC1)C[C@@H]1CCCO1	ZINC000952977790	658361470	/nfs/dbraw/zinc/36/14/70/658361470.db2.gz	KXMRKTMPGIQPHH-NSHDSACASA-N	-1	0	294.359	-0.107	50	0		CBAARM