smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1[n-]c(=O)c2cc(Br)ccc21	ZINC000258243944	349501637	/nfs/dbraw/zinc/50/16/37/349501637.db2.gz	NKNOQTRXIPWQKR-UHFFFAOYSA-N	-1	1	227.061	1.629	40	0		BDABMM
C/C=C/[C@@H](C)C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001714808	342710780	/nfs/dbraw/zinc/71/07/80/342710780.db2.gz	PJSDNMFLJOJTPY-HQZHTGGTSA-N	-1	1	238.287	1.207	40	0		BDABMM
CCN(CC)c1ccncc1S(=O)(=O)[O-]	ZINC000072210679	259317497	/nfs/dbraw/zinc/31/74/97/259317497.db2.gz	UUIGJSUDHQDPBN-UHFFFAOYSA-N	-1	1	230.289	1.175	40	0		BDABMM
Cc1cc(CN2CCC(CC(=O)[O-])CC2)on1	ZINC000012398771	342851370	/nfs/dbraw/zinc/85/13/70/342851370.db2.gz	MCCRWAMTMQKFPK-UHFFFAOYSA-N	-1	1	238.287	1.670	40	0		BDABMM
N[C@@H](CC(=O)[O-])C(=O)c1c[nH]c2ccccc12	ZINC000016698036	342914306	/nfs/dbraw/zinc/91/43/06/342914306.db2.gz	WSMVDKAQGQSMBA-VIFPVBQESA-N	-1	1	232.239	1.153	40	0		BDABMM
O=C1[N-]C(=O)[C@@H](Cc2ccc(F)cc2)S1	ZINC000022059410	343037586	/nfs/dbraw/zinc/03/75/86/343037586.db2.gz	KXGHAWOYZKFFPG-MRVPVSSYSA-N	-1	1	225.244	1.720	40	0	in-vitro	BDABMM
C/C=C/[C@@H](C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000001714814	187245388	/nfs/dbraw/zinc/24/53/88/187245388.db2.gz	FKUZMHMHFFKCDT-YZCDNWJKSA-N	-1	1	238.287	1.351	40	0		BDABMM
Cc1ccc([O-])c(C(=O)c2cncnc2)c1	ZINC000032501273	343236686	/nfs/dbraw/zinc/23/66/86/343236686.db2.gz	BGJPJCPOUAXYOC-UHFFFAOYSA-N	-1	1	214.224	1.722	40	0		BDABMM
O=C([O-])[C@@H]1CS[C@@H](C2CCCC2)N1	ZINC000035572340	343298607	/nfs/dbraw/zinc/29/86/07/343298607.db2.gz	WPLZIGHQZCIPCK-YUMQZZPRSA-N	-1	1	201.291	1.292	40	0		BDABMM
O=C([O-])[C@H]1Cc2nc[nH]c2[C@H](c2ccsc2)N1	ZINC000005067453	187361751	/nfs/dbraw/zinc/36/17/51/187361751.db2.gz	PINMDTPEPNPDGO-BDAKNGLRSA-N	-1	1	249.295	1.160	40	0		BDABMM
Cn1c(Cn2nnc3ccccc32)n[n-]c1=S	ZINC000005521259	346265914	/nfs/dbraw/zinc/26/59/14/346265914.db2.gz	FAIIFOQIGYLZJT-UHFFFAOYSA-N	-1	1	246.299	1.271	40	0		BDABMM
C[C@H]1C[C@@H]1c1ccc(/C=C2\NC(=S)[N-]C2=O)o1	ZINC000008117595	350127051	/nfs/dbraw/zinc/12/70/51/350127051.db2.gz	JVNZIWJHDVMTDO-XAWPJTNJSA-N	-1	1	248.307	1.748	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccc(C)cc1	ZINC000039167727	350333208	/nfs/dbraw/zinc/33/32/08/350333208.db2.gz	ROWRTHTUTYQZNK-NSHDSACASA-N	-1	1	234.251	1.556	40	0		BDABMM
O=C(NCCCO)c1cc(Cl)ccc1[O-]	ZINC000001689026	182171321	/nfs/dbraw/zinc/17/13/21/182171321.db2.gz	ZLTAZLVRBUEHDS-UHFFFAOYSA-N	-1	1	229.663	1.158	40	0		BDABMM
CCC[C@@]1(CC)C(=O)NC(=O)[N-]C1=S	ZINC000005561314	384120794	/nfs/dbraw/zinc/12/07/94/384120794.db2.gz	UTTHKCDAAAUZKY-VIFPVBQESA-N	-1	1	214.290	1.350	40	0		BDABMM
CC/C=C(\C)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000001707332	384449869	/nfs/dbraw/zinc/44/98/69/384449869.db2.gz	RAFOHKSPUDGZPR-VOTSOKGWSA-N	-1	1	224.260	1.105	40	0	in-man	BDABMM
O=C([O-])c1cc(=O)n(-c2cccc(F)c2)[nH]1	ZINC000049668113	384558125	/nfs/dbraw/zinc/55/81/25/384558125.db2.gz	NLLIYXGTGNJMRT-UHFFFAOYSA-N	-1	1	222.175	1.415	40	0		BDABMM
Cc1cc(=O)[n-]c(COc2cccc(N)c2)n1	ZINC000226103490	386238123	/nfs/dbraw/zinc/23/81/23/386238123.db2.gz	UUHFSTGQYDGNCY-UHFFFAOYSA-N	-1	1	231.255	1.240	40	0		BDABMM
O=c1cc(Cl)nc(-c2ccncc2)[n-]1	ZINC000217733584	388380458	/nfs/dbraw/zinc/38/04/58/388380458.db2.gz	KWXBUMYDOWNVTQ-UHFFFAOYSA-N	-1	1	207.620	1.485	40	0		BDABMM
CCOC(=O)c1n[n-]c(OC(F)F)c1Cl	ZINC000096509296	170287445	/nfs/dbraw/zinc/28/74/45/170287445.db2.gz	POPZMEINQRJQJK-UHFFFAOYSA-N	-1	1	240.593	1.841	40	0		BDABMM
CCOC(=O)c1[n-]nc(OC(F)F)c1Cl	ZINC000096509296	170287447	/nfs/dbraw/zinc/28/74/47/170287447.db2.gz	POPZMEINQRJQJK-UHFFFAOYSA-N	-1	1	240.593	1.841	40	0		BDABMM
CCOC(=O)c1nc2c([n-]1)CC(C)(C)CC2=O	ZINC000022126542	170307457	/nfs/dbraw/zinc/30/74/57/170307457.db2.gz	VMAMNJHLTNLPDT-UHFFFAOYSA-N	-1	1	236.271	1.742	40	0		BDABMM
CCC[C@H]1CC=CCC12C(=O)[N-]C(=O)NC2=O	ZINC000001707350	342710392	/nfs/dbraw/zinc/71/03/92/342710392.db2.gz	UAXHMOQIGLPVBS-QMMMGPOBSA-N	-1	1	236.271	1.105	40	0		BDABMM
CCC1([C@@H](C)CC(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000004769117	342751782	/nfs/dbraw/zinc/75/17/82/342751782.db2.gz	KXHLANWWTKSOMW-QMMMGPOBSA-N	-1	1	240.303	1.431	40	0		BDABMM
CCc1c(Nc2ccccc2C)nc(N)[n-]c1=O	ZINC000008617764	342801233	/nfs/dbraw/zinc/80/12/33/342801233.db2.gz	FIBJWJZGNVOMBW-UHFFFAOYSA-N	-1	1	244.298	1.967	40	0		BDABMM
CCCC[C@@H](Nc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000017300358	342923359	/nfs/dbraw/zinc/92/33/59/342923359.db2.gz	LJWUTANURKRFJU-SSDOTTSWSA-N	-1	1	249.274	1.408	40	0		BDABMM
C/C=C(/C)[C@@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000016926614	342917141	/nfs/dbraw/zinc/91/71/41/342917141.db2.gz	NCVHDTCOFYKMMM-XOIDGJRKSA-N	-1	1	224.260	1.057	40	0		BDABMM
CCOc1ccc2c(c1)[nH]cc(C(=O)[O-])c2=O	ZINC000031761286	343223753	/nfs/dbraw/zinc/22/37/53/343223753.db2.gz	RDBMPZCJKYTMER-UHFFFAOYSA-N	-1	1	233.223	1.625	40	0		BDABMM
CCOc1ccc2c(c1)[n-]cc(C(=O)O)c2=O	ZINC000031761286	343223754	/nfs/dbraw/zinc/22/37/54/343223754.db2.gz	RDBMPZCJKYTMER-UHFFFAOYSA-N	-1	1	233.223	1.625	40	0		BDABMM
COc1cc(Cl)cc([C@H](N)C(=O)[O-])c1OC	ZINC000039927939	343393381	/nfs/dbraw/zinc/39/33/81/343393381.db2.gz	YINFIVFLCLMNDX-QMMMGPOBSA-N	-1	1	245.662	1.442	40	0		BDABMM
O=C([O-])c1[nH+]nc2ccc(Cl)cc2c1[O-]	ZINC000072221089	187359404	/nfs/dbraw/zinc/35/94/04/187359404.db2.gz	CEWAGKDOSGSJMH-UHFFFAOYSA-N	-1	1	224.603	1.275	40	0		BDABMM
N[C@H](CCC(=O)[O-])C(=O)c1c[nH]c2ccccc12	ZINC000016698041	362909074	/nfs/dbraw/zinc/90/90/74/362909074.db2.gz	WXPJMCPZYFQWGL-SNVBAGLBSA-N	-1	1	246.266	1.543	40	0		BDABMM
CN(C)[C@@](C)(C(=O)[O-])c1c(F)cccc1F	ZINC000037357851	350361330	/nfs/dbraw/zinc/36/13/30/350361330.db2.gz	ZDCCYOLFDXRISH-LLVKDONJSA-N	-1	1	229.226	1.826	40	0		BDABMM
Cc1c([O-])c2c(O)ccoc-2c(C)c1=O	ZINC000013484903	363183201	/nfs/dbraw/zinc/18/32/01/363183201.db2.gz	OWGYZWMBXRFUQP-UHFFFAOYSA-N	-1	1	206.197	1.821	40	0	in-vitro	BDABMM
CC(=O)Oc1cc([O-])c(C=O)c(OC(C)=O)c1	ZINC000036449555	368301260	/nfs/dbraw/zinc/30/12/60/368301260.db2.gz	IULYROKRCRZRES-UHFFFAOYSA-N	-1	1	238.195	1.055	40	0		BDABMM
O=C(C[P@@](=O)([O-])O)c1cccs1	ZINC000001633340	182006325	/nfs/dbraw/zinc/00/63/25/182006325.db2.gz	BBYVTDZBKUXZSK-UHFFFAOYSA-N	-1	1	206.159	1.109	40	0		BDABMM
O=C(CSc1nccc(=O)[n-]1)c1ccccc1	ZINC000008648371	182011148	/nfs/dbraw/zinc/01/11/48/182011148.db2.gz	VJLORWRQIUWAPI-UHFFFAOYSA-N	-1	1	246.291	1.745	40	0		BDABMM
O=C1[N-]C(=O)[C@H](Cc2cccc(F)c2)S1	ZINC000218823161	182793007	/nfs/dbraw/zinc/79/30/07/182793007.db2.gz	MORFHAZZHYKTTG-QMMMGPOBSA-N	-1	1	225.244	1.720	40	0		BDABMM
S=c1[n-]ncn1NCc1ccccc1	ZINC000005999239	183315318	/nfs/dbraw/zinc/31/53/18/183315318.db2.gz	KUJRVYTXNDZJRX-UHFFFAOYSA-N	-1	1	206.274	1.684	40	0		BDABMM
CCC/C=C(/C)C1(C)C(=O)[N-]C(=O)NC1=O	ZINC000001844718	383938080	/nfs/dbraw/zinc/93/80/80/383938080.db2.gz	HSRAZMPLBVHJNH-SREVYHEPSA-N	-1	1	224.260	1.105	40	0		BDABMM
Nn1c(Cc2c[nH]c3ccccc23)n[n-]c1=S	ZINC000034458490	384392349	/nfs/dbraw/zinc/39/23/49/384392349.db2.gz	LMUHLGRSNSGSAZ-UHFFFAOYSA-N	-1	1	245.311	1.727	40	0		BDABMM
O=c1cc(COC2CCCCC2)nc(CO)[n-]1	ZINC000095094001	384911072	/nfs/dbraw/zinc/91/10/72/384911072.db2.gz	ZPQMEQRTWFSRCG-UHFFFAOYSA-N	-1	1	238.287	1.112	40	0		BDABMM
CCc1ccc([O-])c(C(=O)c2cn[nH]c2)c1	ZINC000032501326	385167626	/nfs/dbraw/zinc/16/76/26/385167626.db2.gz	MWQUOKMHPIXZTL-UHFFFAOYSA-N	-1	1	216.240	1.909	40	0		BDABMM
CCCSc1nc(OC)cc(=O)[n-]1	ZINC000059417355	386477769	/nfs/dbraw/zinc/47/77/69/386477769.db2.gz	WICYDMSLCMNBJC-UHFFFAOYSA-N	-1	1	200.263	1.281	40	0		BDABMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)[O-]	ZINC000004539307	168135541	/nfs/dbraw/zinc/13/55/41/168135541.db2.gz	XESBVBCUPVXXIS-SECBINFHSA-N	-1	1	218.212	1.110	40	0		BDABMM
CCOC(=O)c1nc(Br)[nH]c1C	ZINC000063763920	170283136	/nfs/dbraw/zinc/28/31/36/170283136.db2.gz	QSEPBLJNTIAAAG-YFKPBYRVSA-N	-1	1	233.065	1.144	40	0		BDABMM
Cc1cc([O-])ccc1S(=O)(=O)C(F)(F)F	ZINC000002540378	178200865	/nfs/dbraw/zinc/20/08/65/178200865.db2.gz	YBQULHFGSRFRGH-UHFFFAOYSA-N	-1	1	240.202	1.994	40	0		BDABMM
Cc1ccc(F)c2c(N)c(C(=O)[O-])cnc12	ZINC000064874833	259313230	/nfs/dbraw/zinc/31/32/30/259313230.db2.gz	GAGKNBIYFAEPAQ-UHFFFAOYSA-N	-1	1	220.203	1.963	40	0		BDABMM
C/C=C(/CC)[C@]1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000005447579	342764264	/nfs/dbraw/zinc/76/42/64/342764264.db2.gz	YHVWPLGZXKWTFF-YVMONPNESA-N	-1	1	238.287	1.556	40	0		BDABMM
C/C=C(/CC)[C@@]1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000005447579	342764265	/nfs/dbraw/zinc/76/42/65/342764265.db2.gz	YHVWPLGZXKWTFF-YVMONPNESA-N	-1	1	238.287	1.556	40	0		BDABMM
CCCCC1(CCC)C(=O)[N-]C(=S)NC1=O	ZINC000005554671	342765903	/nfs/dbraw/zinc/76/59/03/342765903.db2.gz	WQBLKQSFFMEWCG-UHFFFAOYSA-N	-1	1	242.344	1.494	40	0		BDABMM
Sc1[n-]c(Cl)nc2nc(Cl)nc1-2	ZINC000017289224	342923049	/nfs/dbraw/zinc/92/30/49/342923049.db2.gz	NTHGZOMPBGZADK-UHFFFAOYSA-N	-1	1	221.072	1.948	40	0		BDABMM
C/C=C/CC1(CCCC)C(=O)[N-]C(=O)NC1=O	ZINC000005647328	187247708	/nfs/dbraw/zinc/24/77/08/187247708.db2.gz	DARREYPXFUYMQI-HWKANZROSA-N	-1	1	238.287	1.495	40	0		BDABMM
O=C([O-])[C@@H]1CS[C@H](C2CCCC2)N1	ZINC000035572338	343298589	/nfs/dbraw/zinc/29/85/89/343298589.db2.gz	WPLZIGHQZCIPCK-JGVFFNPUSA-N	-1	1	201.291	1.292	40	0		BDABMM
Cc1c([O-])c(Br)c(=O)[nH]c1Cl	ZINC000071255553	187275413	/nfs/dbraw/zinc/27/54/13/187275413.db2.gz	YDAYMAMIUIWGJL-UHFFFAOYSA-N	-1	1	238.468	1.805	40	0		BDABMM
O=C([O-])[C@H]1CN[C@H](c2ccccc2)S1	ZINC000000259860	345423061	/nfs/dbraw/zinc/42/30/61/345423061.db2.gz	QMLCPYVRJKOHQA-BDAKNGLRSA-N	-1	1	209.270	1.475	40	0		BDABMM
CC[C@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700922	346470288	/nfs/dbraw/zinc/47/02/88/346470288.db2.gz	BKPDIQVBNXYVTP-OIBJUYFYSA-N	-1	1	203.241	1.478	40	0		BDABMM
COC(=O)[N-]c1nc2ccccc2c(=O)[nH]1	ZINC000008652459	346678958	/nfs/dbraw/zinc/67/89/58/346678958.db2.gz	GJYUSVQLZUWFLI-UHFFFAOYSA-N	-1	1	219.200	1.101	40	0		BDABMM
CCCc1nnc(SCCC(=O)[O-])[nH]1	ZINC000020396134	347443081	/nfs/dbraw/zinc/44/30/81/347443081.db2.gz	NMDFMCOMZBDZMY-UHFFFAOYSA-N	-1	1	215.278	1.324	40	0		BDABMM
CCCc1n[nH]c(SCCC(=O)[O-])n1	ZINC000020396134	347443082	/nfs/dbraw/zinc/44/30/82/347443082.db2.gz	NMDFMCOMZBDZMY-UHFFFAOYSA-N	-1	1	215.278	1.324	40	0		BDABMM
CC(C)c1cnc(-c2ccccn2)[n-]c1=O	ZINC000096311254	371460779	/nfs/dbraw/zinc/46/07/79/371460779.db2.gz	JRHUXZRQEGKZFW-UHFFFAOYSA-N	-1	1	215.256	1.955	40	0		BDABMM
CCCC[C@H](CC)[C@H](O)[P@](=O)([O-])O	ZINC000031350045	169001224	/nfs/dbraw/zinc/00/12/24/169001224.db2.gz	GLYRBOZDGLTONH-JGVFFNPUSA-N	-1	1	210.210	1.699	40	0		BDABMM
O=c1cc(-c2ccc3c(c2)OCO3)[n-]o1	ZINC000071976596	183254884	/nfs/dbraw/zinc/25/48/84/183254884.db2.gz	JZGNQGSMHZATAV-UHFFFAOYSA-N	-1	1	205.169	1.776	40	0		BDABMM
O=c1[n-]c(C(F)(F)F)nc2cnccc21	ZINC000071255747	183308307	/nfs/dbraw/zinc/30/83/07/183308307.db2.gz	XRSGBIHEPAYDKE-UHFFFAOYSA-N	-1	1	215.134	1.749	40	0		BDABMM
CCC[C@H](C)[C@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001661098	383917242	/nfs/dbraw/zinc/91/72/42/383917242.db2.gz	OIIGBIYLGSWNKY-QPUJVOFHSA-N	-1	1	240.303	1.527	40	0		BDABMM
CCCc1nc(S[C@H](CC)C(=O)[O-])n[nH]1	ZINC000076566185	384056230	/nfs/dbraw/zinc/05/62/30/384056230.db2.gz	RFIJBZDFILAMCJ-ZCFIWIBFSA-N	-1	1	229.305	1.713	40	0		BDABMM
CCCc1nnc(S[C@H](CC)C(=O)[O-])[nH]1	ZINC000076566185	384056239	/nfs/dbraw/zinc/05/62/39/384056239.db2.gz	RFIJBZDFILAMCJ-ZCFIWIBFSA-N	-1	1	229.305	1.713	40	0		BDABMM
O=C([O-])CC[N@H+]1CCC[C@H]1c1ccco1	ZINC000012398676	384317504	/nfs/dbraw/zinc/31/75/04/384317504.db2.gz	PCBRCXMSPJVZFM-VIFPVBQESA-N	-1	1	209.245	1.891	40	0		BDABMM
CC[C@H](C)Sc1nc(OC)cc(=O)[n-]1	ZINC000059417359	386479019	/nfs/dbraw/zinc/47/90/19/386479019.db2.gz	SHWRPYPHEAMRCS-LURJTMIESA-N	-1	1	214.290	1.669	40	0		BDABMM
O=C1[N-]C(=O)[C@H](Cc2ccccc2F)S1	ZINC000218822971	388392777	/nfs/dbraw/zinc/39/27/77/388392777.db2.gz	DDZBWNIXOJEHGH-QMMMGPOBSA-N	-1	1	225.244	1.720	40	0		BDABMM
COCc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000049672145	388612370	/nfs/dbraw/zinc/61/23/70/388612370.db2.gz	RVMDKUULFLXCRF-UHFFFAOYSA-N	-1	1	216.240	1.583	40	0		BDABMM
CC(=O)c1c(C)c2c(cc1[O-])C[C@H](O)CC2=O	ZINC000013305561	388729270	/nfs/dbraw/zinc/72/92/70/388729270.db2.gz	ODXUROYZJHIZHE-VIFPVBQESA-N	-1	1	234.251	1.393	40	0	biogenic,in-vitro	BDABMM
COc1ccc(NC[P@](=O)([O-])O)cc1	ZINC000222850138	175151673	/nfs/dbraw/zinc/15/16/73/175151673.db2.gz	ZBORNTBBBCNBIO-UHFFFAOYSA-N	-1	1	217.161	1.242	40	0		BDABMM
COc1cccc2ncc(C(=O)[O-])c(O)c21	ZINC000040448467	175307236	/nfs/dbraw/zinc/30/72/36/175307236.db2.gz	YIFBTIQJBJZJIO-UHFFFAOYSA-N	-1	1	219.196	1.647	40	0		BDABMM
COc1cccc2[n-]cc(C(=O)O)c(=O)c21	ZINC000040448467	175307237	/nfs/dbraw/zinc/30/72/37/175307237.db2.gz	YIFBTIQJBJZJIO-UHFFFAOYSA-N	-1	1	219.196	1.647	40	0		BDABMM
C[C@@H](c1ccccc1)N1CC[C@@H]1C(=O)[O-]	ZINC000022015397	176022242	/nfs/dbraw/zinc/02/22/42/176022242.db2.gz	OASYHJXSVVGJIA-GXSJLCMTSA-N	-1	1	205.257	1.907	40	0		BDABMM
Cc1cc(=O)[n-]c(SC(=O)c2ccccn2)n1	ZINC000016283704	178203582	/nfs/dbraw/zinc/20/35/82/178203582.db2.gz	FRDGUGUBYORLHK-UHFFFAOYSA-N	-1	1	247.279	1.818	40	0		BDABMM
CC[C@]1(C)SC(C)(C)N[C@H]1C(=O)[O-]	ZINC000001690115	342709554	/nfs/dbraw/zinc/70/95/54/342709554.db2.gz	GRVWFFDJJFDJJR-RCOVLWMOSA-N	-1	1	203.307	1.681	40	0		BDABMM
CCCC/C=C/C1(C)C(=O)[N-]C(=O)NC1=O	ZINC000001710386	187245210	/nfs/dbraw/zinc/24/52/10/187245210.db2.gz	VSWQDKUTTXAYKT-VOTSOKGWSA-N	-1	1	224.260	1.105	40	0		BDABMM
CS[C@H](C)C[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000035572316	343298532	/nfs/dbraw/zinc/29/85/32/343298532.db2.gz	PUXMAVZQHKAIDA-DSYKOEDSSA-N	-1	1	221.347	1.244	40	0		BDABMM
Nc1c(C(=O)[O-])cnc2cc(F)ccc12	ZINC000047913052	343567377	/nfs/dbraw/zinc/56/73/77/343567377.db2.gz	NWWNOKZSLAWADK-UHFFFAOYSA-N	-1	1	206.176	1.654	40	0		BDABMM
CC(C)(C)n1ncc(=S)c(Cl)c1O	ZINC000100003911	187290849	/nfs/dbraw/zinc/29/08/49/187290849.db2.gz	GLGQMFICPMIOHO-UHFFFAOYSA-N	-1	1	218.709	1.940	40	0		BDABMM
CC(C)(C)n1ncc(=S)c(Cl)c1[O-]	ZINC000100003911	187290851	/nfs/dbraw/zinc/29/08/51/187290851.db2.gz	GLGQMFICPMIOHO-UHFFFAOYSA-N	-1	1	218.709	1.940	40	0		BDABMM
Cc1ccccc1C([O-])=C1C(=O)CCC1=O	ZINC000100675874	179245705	/nfs/dbraw/zinc/24/57/05/179245705.db2.gz	BGIGLHZUCFLAJP-UHFFFAOYSA-N	-1	1	216.236	1.726	40	0		BDABMM
CN(C)[C@H](C(=O)[O-])c1ccc(F)cc1F	ZINC000037358361	350361426	/nfs/dbraw/zinc/36/14/26/350361426.db2.gz	JSPADFSDGCWBFN-VIFPVBQESA-N	-1	1	215.199	1.652	40	0		BDABMM
COC(=O)c1nc2ccc(Cl)[n-]c-2n1	ZINC000091302198	384114171	/nfs/dbraw/zinc/11/41/71/384114171.db2.gz	CPJWKRTZRJFGKI-UHFFFAOYSA-N	-1	1	211.608	1.398	40	0		BDABMM
COC(=O)c1nc2ccc(Cl)nc2[n-]1	ZINC000091302198	384114187	/nfs/dbraw/zinc/11/41/87/384114187.db2.gz	CPJWKRTZRJFGKI-UHFFFAOYSA-N	-1	1	211.608	1.398	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccccc1F	ZINC000100232662	384626220	/nfs/dbraw/zinc/62/62/20/384626220.db2.gz	WWQYSGWWKOIREV-SNVBAGLBSA-N	-1	1	238.214	1.387	40	0		BDABMM
CC(C)Nc1ccncc1S(=O)(=O)[O-]	ZINC000072210675	385068144	/nfs/dbraw/zinc/06/81/44/385068144.db2.gz	CXJIMALKICHTMF-UHFFFAOYSA-N	-1	1	216.262	1.149	40	0		BDABMM
O=Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1	ZINC000005552926	385037803	/nfs/dbraw/zinc/03/78/03/385037803.db2.gz	MYGMULWOOZQJAD-UITAMQMPSA-N	-1	1	233.248	1.823	40	0		BDABMM
CN(C)c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000106692213	385139997	/nfs/dbraw/zinc/13/99/97/385139997.db2.gz	PVPLTVGUBBKGHK-ALCCZGGFSA-N	-1	1	238.268	1.670	40	0		BDABMM
CCOC(=O)c1nnc(CNc2ccccc2)[n-]1	ZINC000085385714	385152946	/nfs/dbraw/zinc/15/29/46/385152946.db2.gz	CNFXJNCHEOEHHP-UHFFFAOYSA-N	-1	1	246.270	1.594	40	0		BDABMM
CCOC(=O)c1nc(CNc2ccccc2)n[n-]1	ZINC000085385714	385152952	/nfs/dbraw/zinc/15/29/52/385152952.db2.gz	CNFXJNCHEOEHHP-UHFFFAOYSA-N	-1	1	246.270	1.594	40	0		BDABMM
CCOC(=O)c1n[n-]c(CNc2ccccc2)n1	ZINC000085385714	385152958	/nfs/dbraw/zinc/15/29/58/385152958.db2.gz	CNFXJNCHEOEHHP-UHFFFAOYSA-N	-1	1	246.270	1.594	40	0		BDABMM
Cc1n[n-]c(=S)n(-c2ccc(F)cc2)c1=O	ZINC000070451418	387067892	/nfs/dbraw/zinc/06/78/92/387067892.db2.gz	VJWPCFDKJBPCPN-UHFFFAOYSA-N	-1	1	237.259	1.738	40	0		BDABMM
CC(C)c1nc[n-]c(=O)c1Br	ZINC000082131621	388015771	/nfs/dbraw/zinc/01/57/71/388015771.db2.gz	DZJHSJUPESJMOV-UHFFFAOYSA-N	-1	1	217.066	1.656	40	0		BDABMM
Cc1cnc(Nc2cccnc2)[n-]c1=O	ZINC000232703408	388856220	/nfs/dbraw/zinc/85/62/20/388856220.db2.gz	CCVURMTZPROCDK-UHFFFAOYSA-N	-1	1	202.217	1.217	40	0		BDABMM
CCOC(=O)c1nn(-c2ccc(C)cc2)cc1[O-]	ZINC000096837590	170192524	/nfs/dbraw/zinc/19/25/24/170192524.db2.gz	VEAXJLKUTUFUDO-UHFFFAOYSA-N	-1	1	246.266	1.303	40	0		BDABMM
COc1ccccc1CNn1cn[n-]c1=S	ZINC000005911592	175332079	/nfs/dbraw/zinc/33/20/79/175332079.db2.gz	UPDQVSYOBSSWLH-UHFFFAOYSA-N	-1	1	236.300	1.693	40	0		BDABMM
O=c1cn[n-]c2cccc(Br)c12	ZINC000141294644	527493406	/nfs/dbraw/zinc/49/34/06/527493406.db2.gz	OXBQLPGUKIVBJI-UHFFFAOYSA-N	-1	1	225.045	1.686	40	0		BDABMM
CSc1nc2[n-]c(=O)[nH]c2c(=S)[nH]1	ZINC000001652034	342707106	/nfs/dbraw/zinc/70/71/06/342707106.db2.gz	LRWXUPIRIFLZRJ-UHFFFAOYSA-N	-1	1	214.275	1.031	40	0		BDABMM
CC[C@@H](C)[C@@H](Nc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000001683949	342709018	/nfs/dbraw/zinc/70/90/18/342709018.db2.gz	DYJGDOBRQHPAGK-RNFRBKRXSA-N	-1	1	249.274	1.264	40	0		BDABMM
CCC[C@]1(CC)C(=O)NC(=O)[N-]C1=S	ZINC000005560950	342765895	/nfs/dbraw/zinc/76/58/95/342765895.db2.gz	UTTHKCDAAAUZKY-SECBINFHSA-N	-1	1	214.290	1.350	40	0		BDABMM
FC(F)(F)c1nc2n[nH]cc2c(=S)[n-]1	ZINC000004714971	342751045	/nfs/dbraw/zinc/75/10/45/342751045.db2.gz	FYZDBOWURLBXKV-UHFFFAOYSA-N	-1	1	220.179	1.660	40	0		BDABMM
C/C=C\[C@H](C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000016927139	342917127	/nfs/dbraw/zinc/91/71/27/342917127.db2.gz	FKUZMHMHFFKCDT-HORMHSFOSA-N	-1	1	238.287	1.351	40	0		BDABMM
C/C=C/CC1(C/C=C\C)C(=O)[N-]C(=O)NC1=O	ZINC000017323206	187251984	/nfs/dbraw/zinc/25/19/84/187251984.db2.gz	OJXLDQJJHBLYOT-CIIODKQPSA-N	-1	1	236.271	1.271	40	0		BDABMM
CCc1n[nH]c(S[C@@H](CC)C(=O)[O-])n1	ZINC000076566135	343366855	/nfs/dbraw/zinc/36/68/55/343366855.db2.gz	VIPYDGRHNLEKDG-YFKPBYRVSA-N	-1	1	215.278	1.322	40	0		BDABMM
CCc1nnc(S[C@@H](CC)C(=O)[O-])[nH]1	ZINC000076566135	343366857	/nfs/dbraw/zinc/36/68/57/343366857.db2.gz	VIPYDGRHNLEKDG-YFKPBYRVSA-N	-1	1	215.278	1.322	40	0		BDABMM
O=C([O-])[C@@H]1CN[C@H](c2ccccc2)S1	ZINC000000259851	345423232	/nfs/dbraw/zinc/42/32/32/345423232.db2.gz	QMLCPYVRJKOHQA-IUCAKERBSA-N	-1	1	209.270	1.475	40	0		BDABMM
CCc1nc(/C=C/C(=O)[O-])c2ccccn12	ZINC000020267955	347351416	/nfs/dbraw/zinc/35/14/16/347351416.db2.gz	NNJYKMFVEKKBTM-VOTSOKGWSA-N	-1	1	216.240	1.995	40	0		BDABMM
O=c1c(Cl)c(O)cnn1[C@@H]1CCCCO1	ZINC000034511054	350267255	/nfs/dbraw/zinc/26/72/55/350267255.db2.gz	XZBUPOMTNWZPKD-ZETCQYMHSA-N	-1	1	230.651	1.301	40	0		BDABMM
O=c1c(Cl)c([O-])cnn1[C@@H]1CCCCO1	ZINC000034511054	350267259	/nfs/dbraw/zinc/26/72/59/350267259.db2.gz	XZBUPOMTNWZPKD-ZETCQYMHSA-N	-1	1	230.651	1.301	40	0		BDABMM
CC(C)N(CC(=O)[O-])Cc1ccccn1	ZINC000037994761	363145433	/nfs/dbraw/zinc/14/54/33/363145433.db2.gz	NRRZVTRUVPDQFU-UHFFFAOYSA-N	-1	1	208.261	1.377	40	0		BDABMM
CCc1c(C(=O)[O-])c(C)[nH+]c(C)c1C(=O)[O-]	ZINC000020494489	491103811	/nfs/dbraw/zinc/10/38/11/491103811.db2.gz	HOEWVQREYUNBNP-UHFFFAOYSA-N	-1	1	223.228	1.657	40	0		BDABMM
O=c1c(Cl)c([O-])cnn1CC1CC1	ZINC000256054213	370637768	/nfs/dbraw/zinc/63/77/68/370637768.db2.gz	VLYAAEKZWUTMHO-UHFFFAOYSA-N	-1	1	200.625	1.012	40	0		BDABMM
S=C(Nc1nnn[n-]1)Nc1ccccc1	ZINC000006616065	183311540	/nfs/dbraw/zinc/31/15/40/183311540.db2.gz	MSNXAAOGUWHKBF-UHFFFAOYSA-N	-1	1	220.261	1.009	40	0		BDABMM
S=C(Nc1nn[n-]n1)Nc1ccccc1	ZINC000006616065	183311543	/nfs/dbraw/zinc/31/15/43/183311543.db2.gz	MSNXAAOGUWHKBF-UHFFFAOYSA-N	-1	1	220.261	1.009	40	0		BDABMM
CCC[C@H](C)[C@@]1(C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001634044	383915067	/nfs/dbraw/zinc/91/50/67/383915067.db2.gz	UITOSQGEGYAGQL-CPCISQLKSA-N	-1	1	226.276	1.137	40	0		BDABMM
CC(CCCCCF)(C(=O)[O-])C(=O)O	ZINC000072318096	384205305	/nfs/dbraw/zinc/20/53/05/384205305.db2.gz	BOYGOAXVKOOCKN-UHFFFAOYSA-N	-1	1	206.213	1.692	40	0		BDABMM
Cc1ccc2c(c1)C(O)=C1C[C@]1(C(=O)[O-])O2	ZINC000085392622	385159176	/nfs/dbraw/zinc/15/91/76/385159176.db2.gz	HRMWNGJDKOEXFD-UFBFGSQYSA-N	-1	1	218.208	1.413	40	0		BDABMM
CCCc1cc(N)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000085398307	385164508	/nfs/dbraw/zinc/16/45/08/385164508.db2.gz	XBAATJMUMBHURH-UHFFFAOYSA-N	-1	1	233.275	1.211	40	0		BDABMM
CCCn1c(=O)[n-]c(Cl)c(Cl)c1=O	ZINC000096524091	385272410	/nfs/dbraw/zinc/27/24/10/385272410.db2.gz	MMKVEDPUKFKHGZ-UHFFFAOYSA-N	-1	1	223.059	1.666	40	0		BDABMM
O=C1[N-]C(=O)[C@H](Cc2cccc(O)c2)S1	ZINC000144529043	388119928	/nfs/dbraw/zinc/11/99/28/388119928.db2.gz	GRNUQBDCKXWQLQ-QMMMGPOBSA-N	-1	1	223.253	1.286	40	0		BDABMM
N[C@@H](C(=O)[O-])c1c(Cl)cncc1Cl	ZINC000199809748	388655117	/nfs/dbraw/zinc/65/51/17/388655117.db2.gz	ZDVUWQDTNWSYFY-ZCFIWIBFSA-N	-1	1	221.043	1.473	40	0		BDABMM
CCOC(=O)c1nc(-c2ccco2)n[n-]1	ZINC000071049016	170306856	/nfs/dbraw/zinc/30/68/56/170306856.db2.gz	SPYWKQRQHVDZTJ-UHFFFAOYSA-N	-1	1	207.189	1.241	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccco2)n1	ZINC000071049016	170306858	/nfs/dbraw/zinc/30/68/58/170306858.db2.gz	SPYWKQRQHVDZTJ-UHFFFAOYSA-N	-1	1	207.189	1.241	40	0		BDABMM
C[C@@H]1CCCC[C@@]12C(=O)[N-]C(=S)NC2=O	ZINC000018202946	176083593	/nfs/dbraw/zinc/08/35/93/176083593.db2.gz	KGDCIRWEMPZYQW-ZCFIWIBFSA-N	-1	1	226.301	1.554	40	0		BDABMM
C[C@@H]1CCCC[C@]12C(=O)[N-]C(=S)NC2=O	ZINC000018202946	176083594	/nfs/dbraw/zinc/08/35/94/176083594.db2.gz	KGDCIRWEMPZYQW-ZCFIWIBFSA-N	-1	1	226.301	1.554	40	0		BDABMM
Cc1cc(=O)[n-]c(-n2nc(C3CCC3)cc2N)n1	ZINC000085398308	178201852	/nfs/dbraw/zinc/20/18/52/178201852.db2.gz	PIGPIRUDBVNSJK-UHFFFAOYSA-N	-1	1	245.286	1.526	40	0		BDABMM
Cc1cc(=O)[n-]c(SC(=O)C(F)(F)F)n1	ZINC000016283665	178203731	/nfs/dbraw/zinc/20/37/31/178203731.db2.gz	HKEDSWOCYYZLTN-UHFFFAOYSA-N	-1	1	238.190	1.672	40	0		BDABMM
CN1CCN(CC(=O)[O-])[C@@H](c2ccccc2)C1	ZINC000020023043	259311595	/nfs/dbraw/zinc/31/15/95/259311595.db2.gz	ZZBQAPMICOZWQI-GFCCVEGCSA-N	-1	1	234.299	1.060	40	0		BDABMM
CCC1(/C(C)=C/C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001714802	342710654	/nfs/dbraw/zinc/71/06/54/342710654.db2.gz	KWLOYSONHUJJQF-SOFGYWHQSA-N	-1	1	238.287	1.351	40	0		BDABMM
CCCC/C=C(/C)C1(C)C(=O)[N-]C(=O)NC1=O	ZINC000001714817	342710693	/nfs/dbraw/zinc/71/06/93/342710693.db2.gz	COHXZXCRMADMTH-FPLPWBNLSA-N	-1	1	238.287	1.495	40	0		BDABMM
CCCCCC1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001714807	342710721	/nfs/dbraw/zinc/71/07/21/342710721.db2.gz	BWIWBKPXIWYKEZ-UHFFFAOYSA-N	-1	1	240.303	1.575	40	0		BDABMM
CCCCC1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000001714783	342710734	/nfs/dbraw/zinc/71/07/34/342710734.db2.gz	PCVDTQSWJSNXHQ-UHFFFAOYSA-N	-1	1	226.276	1.329	40	0		BDABMM
CCSc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000005155037	342758979	/nfs/dbraw/zinc/75/89/79/342758979.db2.gz	SGRGYWVPMIRUTA-UHFFFAOYSA-N	-1	1	224.207	1.901	40	0		BDABMM
CCC/C=C(\C)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000001710333	187245566	/nfs/dbraw/zinc/24/55/66/187245566.db2.gz	GEIHFBCDLLEMSV-BQYQJAHWSA-N	-1	1	238.287	1.495	40	0		BDABMM
CCCC[C@@H](CC)[C@@H](O)[P@](=O)([O-])O	ZINC000031350037	343217718	/nfs/dbraw/zinc/21/77/18/343217718.db2.gz	GLYRBOZDGLTONH-SFYZADRCSA-N	-1	1	210.210	1.699	40	0		BDABMM
C/C=C\C1(CCCC)C(=O)[N-]C(=O)NC1=O	ZINC000016921345	187251910	/nfs/dbraw/zinc/25/19/10/187251910.db2.gz	WAMWJEORSQYEQD-XQRVVYSFSA-N	-1	1	224.260	1.105	40	0		BDABMM
CC(C)COc1n[nH]c(C(=O)[O-])c1Cl	ZINC000096510764	187288792	/nfs/dbraw/zinc/28/87/92/187288792.db2.gz	OYEVYQUMULPSPO-UHFFFAOYSA-N	-1	1	218.640	1.796	40	0		BDABMM
Cc1cccc(-n2c(N)cc(=O)[n-]c2=S)n1	ZINC000013281548	179000543	/nfs/dbraw/zinc/00/05/43/179000543.db2.gz	STXSSIBEJFFQGT-UHFFFAOYSA-N	-1	1	234.284	1.181	40	0		BDABMM
CN(C)[C@@H](C(=O)[O-])c1ccc(F)cc1F	ZINC000037358364	350361406	/nfs/dbraw/zinc/36/14/06/350361406.db2.gz	JSPADFSDGCWBFN-SECBINFHSA-N	-1	1	215.199	1.652	40	0		BDABMM
Cc1[n-]n2c(nc(N)cc2=O)c1-c1ccccc1	ZINC000006796223	180393506	/nfs/dbraw/zinc/39/35/06/180393506.db2.gz	SCMVJEZHEDRBSL-UHFFFAOYSA-N	-1	1	240.266	1.580	40	0		BDABMM
[NH3+][C@@H](CC(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000044196961	363183782	/nfs/dbraw/zinc/18/37/82/363183782.db2.gz	ZIFPJQPZAJKVRH-ZETCQYMHSA-N	-1	1	215.636	1.520	40	0		BDABMM
Cc1cc(C(=O)[O-])nn1-c1ccncc1	ZINC000011567084	357337812	/nfs/dbraw/zinc/33/78/12/357337812.db2.gz	IZOCCOGTGBIFIG-UHFFFAOYSA-N	-1	1	203.201	1.274	40	0		BDABMM
COc1cccc(OCc2nc(C)cc(=O)[n-]2)c1	ZINC000010327201	368317106	/nfs/dbraw/zinc/31/71/06/368317106.db2.gz	NMUBDPYYLWFLOS-UHFFFAOYSA-N	-1	1	246.266	1.666	40	0		BDABMM
CCCC[C@H](Nc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000001670171	169012715	/nfs/dbraw/zinc/01/27/15/169012715.db2.gz	LJWUTANURKRFJU-ZETCQYMHSA-N	-1	1	249.274	1.408	40	0		BDABMM
[O-]c1ccc(CN2CCOCC2)cc1Cl	ZINC000168988534	183268877	/nfs/dbraw/zinc/26/88/77/183268877.db2.gz	OSQDDIKHPFHKMW-UHFFFAOYSA-N	-1	1	227.691	1.878	40	0		BDABMM
CCCNC(=S)Nc1nc(SC)n[nH]1	ZINC000019015435	169254364	/nfs/dbraw/zinc/25/43/64/169254364.db2.gz	OCBZBVSDXWCACM-UHFFFAOYSA-N	-1	1	231.350	1.223	40	0		BDABMM
CC/C=C(/C)[C@@]1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000018205586	384504521	/nfs/dbraw/zinc/50/45/21/384504521.db2.gz	UAYUROFZTDZEDL-VURMDHGXSA-N	-1	1	238.287	1.556	40	0		BDABMM
CC/C=C(/C)[C@]1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000018205586	384504526	/nfs/dbraw/zinc/50/45/26/384504526.db2.gz	UAYUROFZTDZEDL-VURMDHGXSA-N	-1	1	238.287	1.556	40	0		BDABMM
CC1=C(C)CC2(C(=O)[N-]C(=O)NC2=O)[C@H](C)C1	ZINC000005014694	168080178	/nfs/dbraw/zinc/08/01/78/168080178.db2.gz	DXHXNVHIVCXSOO-MRVPVSSYSA-N	-1	1	236.271	1.105	40	0		BDABMM
CCOC(=O)C(SC(F)(F)F)=C(C)[O-]	ZINC000015442454	170256039	/nfs/dbraw/zinc/25/60/39/170256039.db2.gz	QZOUVWZPWRWSPI-YFKPBYRVSA-N	-1	1	230.207	1.760	40	0		BDABMM
CCOC(=O)c1nc(-c2ccccc2O)n[n-]1	ZINC000038764291	170305432	/nfs/dbraw/zinc/30/54/32/170305432.db2.gz	GPQZEWMWNLTQJG-UHFFFAOYSA-N	-1	1	233.227	1.354	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccccc2O)n1	ZINC000038764291	170305433	/nfs/dbraw/zinc/30/54/33/170305433.db2.gz	GPQZEWMWNLTQJG-UHFFFAOYSA-N	-1	1	233.227	1.354	40	0		BDABMM
CC[C@@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700921	171162631	/nfs/dbraw/zinc/16/26/31/171162631.db2.gz	BKPDIQVBNXYVTP-XCBNKYQSSA-N	-1	1	203.241	1.478	40	0		BDABMM
CCc1nc2ccc(CC(=O)[O-])cc2[nH]1	ZINC000031893065	172012308	/nfs/dbraw/zinc/01/23/08/172012308.db2.gz	ZOIBNYCXQSUWOO-UHFFFAOYSA-N	-1	1	204.229	1.752	40	0		BDABMM
CN1CCN(CC(=O)[O-])[C@H](c2ccccc2)C1	ZINC000036854490	173079510	/nfs/dbraw/zinc/07/95/10/173079510.db2.gz	ZZBQAPMICOZWQI-LBPRGKRZSA-N	-1	1	234.299	1.060	40	0		BDABMM
Cc1cc(=O)[n-]c(-n2nc(C(C)C)cc2N)n1	ZINC000085398304	178201830	/nfs/dbraw/zinc/20/18/30/178201830.db2.gz	SXFQWQQUDSYSOA-UHFFFAOYSA-N	-1	1	233.275	1.382	40	0		BDABMM
Cc1ccc(-c2n[n-]c(S(C)(=O)=O)n2)cc1	ZINC000059464279	178335544	/nfs/dbraw/zinc/33/55/44/178335544.db2.gz	OHIVBXRUQYMRTN-UHFFFAOYSA-N	-1	1	237.284	1.184	40	0		BDABMM
Cc1ccc(-c2nc(S(C)(=O)=O)n[n-]2)cc1	ZINC000059464279	178335547	/nfs/dbraw/zinc/33/55/47/178335547.db2.gz	OHIVBXRUQYMRTN-UHFFFAOYSA-N	-1	1	237.284	1.184	40	0		BDABMM
CCCC1(C[C@H](C)CC)C(=O)[N-]C(=O)NC1=O	ZINC000001716683	342710931	/nfs/dbraw/zinc/71/09/31/342710931.db2.gz	IHGCUUHZJSCJGN-MRVPVSSYSA-N	-1	1	240.303	1.575	40	0		BDABMM
CCN1CCN(c2ccc(C(=O)[O-])c(C)n2)CC1	ZINC000072224667	259322097	/nfs/dbraw/zinc/32/20/97/259322097.db2.gz	PTTYBMVLEKKEBX-UHFFFAOYSA-N	-1	1	249.314	1.230	40	0		BDABMM
CC(C)CCc1c([O-])nc2ncccn2c1=O	ZINC000016971535	136275335	/nfs/dbraw/zinc/27/53/35/136275335.db2.gz	CTPVOQMQQZHJAB-UHFFFAOYSA-N	-1	1	233.271	1.384	40	0		BDABMM
N[C@@H](C(=O)[O-])c1ccc(Br)s1	ZINC000003677174	343930479	/nfs/dbraw/zinc/93/04/79/343930479.db2.gz	YWMFPOQBNGNHGW-RXMQYKEDSA-N	-1	1	236.090	1.595	40	0		BDABMM
CC[C@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700920	346469886	/nfs/dbraw/zinc/46/98/86/346469886.db2.gz	BKPDIQVBNXYVTP-XVKPBYJWSA-N	-1	1	203.241	1.478	40	0		BDABMM
CC(C)[C@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700930	346470214	/nfs/dbraw/zinc/47/02/14/346470214.db2.gz	WZBUQAGZTHTMEN-WDEREUQCSA-N	-1	1	217.268	1.724	40	0		BDABMM
Cn1cc(C(=O)[C@@H](N)CC(=O)[O-])c2ccccc21	ZINC000016698123	362909195	/nfs/dbraw/zinc/90/91/95/362909195.db2.gz	ZAPBEBOFXQNRAL-JTQLQIEISA-N	-1	1	246.266	1.163	40	0		BDABMM
CSc1ccc2c(c1)[nH]cc(C(=O)[O-])c2=O	ZINC000031761282	358449052	/nfs/dbraw/zinc/44/90/52/358449052.db2.gz	NIEOMTOKTLFKCZ-UHFFFAOYSA-N	-1	1	235.264	1.948	40	0		BDABMM
CSc1ccc2c(c1)[n-]cc(C(=O)O)c2=O	ZINC000031761282	358449056	/nfs/dbraw/zinc/44/90/56/358449056.db2.gz	NIEOMTOKTLFKCZ-UHFFFAOYSA-N	-1	1	235.264	1.948	40	0		BDABMM
CCc1nc(CCC(=O)[O-])c2ccccn21	ZINC000011569877	370726084	/nfs/dbraw/zinc/72/60/84/370726084.db2.gz	TXFAPBFSOZKPEL-UHFFFAOYSA-N	-1	1	218.256	1.914	40	0		BDABMM
CCC[C@H](C)[C@]1(C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001634046	383916586	/nfs/dbraw/zinc/91/65/86/383916586.db2.gz	UITOSQGEGYAGQL-WRWORJQWSA-N	-1	1	226.276	1.137	40	0		BDABMM
CC/C=C(/C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000016921263	384472477	/nfs/dbraw/zinc/47/24/77/384472477.db2.gz	XVDVHWJHDXRAST-VURMDHGXSA-N	-1	1	238.287	1.495	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccc(F)cc1	ZINC000100232654	384626159	/nfs/dbraw/zinc/62/61/59/384626159.db2.gz	FVSKWULORMNCHA-SNVBAGLBSA-N	-1	1	238.214	1.387	40	0		BDABMM
Cc1cccc(-c2nc(C)cc(=O)[n-]2)n1	ZINC000082451240	384683331	/nfs/dbraw/zinc/68/33/31/384683331.db2.gz	JZIQCPDKFNLWKT-UHFFFAOYSA-N	-1	1	201.229	1.449	40	0		BDABMM
O=c1[nH]cncc1-c1ccc([O-])c(F)c1	ZINC000096301874	384830358	/nfs/dbraw/zinc/83/03/58/384830358.db2.gz	KFMVEPHRONKMIL-UHFFFAOYSA-N	-1	1	206.176	1.282	40	0		BDABMM
CCCc1nnc(SCCCC(=O)[O-])[nH]1	ZINC000224978033	386159507	/nfs/dbraw/zinc/15/95/07/386159507.db2.gz	GBCMYASDPDVCNI-UHFFFAOYSA-N	-1	1	229.305	1.714	40	0		BDABMM
CCCc1n[nH]c(SCCCC(=O)[O-])n1	ZINC000224978033	386159511	/nfs/dbraw/zinc/15/95/11/386159511.db2.gz	GBCMYASDPDVCNI-UHFFFAOYSA-N	-1	1	229.305	1.714	40	0		BDABMM
O=c1cc(Cl)nc(-c2cccnc2)[n-]1	ZINC000217733697	388380118	/nfs/dbraw/zinc/38/01/18/388380118.db2.gz	RDDDAJPSCBUICJ-UHFFFAOYSA-N	-1	1	207.620	1.485	40	0		BDABMM
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1CC(=O)[O-]	ZINC000100126721	168133336	/nfs/dbraw/zinc/13/33/36/168133336.db2.gz	OHCQARRYISJLGE-NSHDSACASA-N	-1	1	246.266	1.808	40	0		BDABMM
CCOC(=O)Sc1nc2cncnc2[n-]1	ZINC000001695793	170244427	/nfs/dbraw/zinc/24/44/27/170244427.db2.gz	RQWFOULHPGOMPM-UHFFFAOYSA-N	-1	1	224.245	1.602	40	0		BDABMM
COc1ccccc1-n1[n-]c(C)cc1=O	ZINC000100072422	175313066	/nfs/dbraw/zinc/31/30/66/175313066.db2.gz	SZCYTLPATIGFOZ-UHFFFAOYSA-N	-1	1	204.229	1.895	40	0		BDABMM
C[C@@H](c1ccccc1)[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000012954203	176023231	/nfs/dbraw/zinc/02/32/31/176023231.db2.gz	XTLKRSWKWLNJDS-JMJZKYOTSA-N	-1	1	237.324	1.906	40	0		BDABMM
Cc1ccc(NC(=O)Nc2nn[n-]n2)cc1	ZINC000006922987	342786140	/nfs/dbraw/zinc/78/61/40/342786140.db2.gz	BPGUYQCUNAHOAF-UHFFFAOYSA-N	-1	1	218.220	1.152	40	0		BDABMM
O=c1cc(F)nc(NCc2ccccc2)[n-]1	ZINC000014982844	342890130	/nfs/dbraw/zinc/89/01/30/342890130.db2.gz	ZXPJJUQRKYCXMP-UHFFFAOYSA-N	-1	1	219.219	1.521	40	0		BDABMM
C/C=C/[C@H](C)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000005599461	187247847	/nfs/dbraw/zinc/24/78/47/187247847.db2.gz	BSECGQHCZYTZFU-KNIZRNDPSA-N	-1	1	240.328	1.126	40	0		BDABMM
C/C=C/CC1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000018208743	187252188	/nfs/dbraw/zinc/25/21/88/187252188.db2.gz	MRJSFBRUKFUDRO-HWKANZROSA-N	-1	1	224.260	1.105	40	0		BDABMM
CCN(C=C1SC(=O)[N-]C1=O)CC	ZINC000584905793	343591988	/nfs/dbraw/zinc/59/19/88/343591988.db2.gz	DPEXICWKDHZGPC-WAYWQWQTSA-N	-1	1	200.263	1.153	40	0		BDABMM
O=C1NC(=O)C(c2c[nH]c3ncccc23)=C1[O-]	ZINC000071257751	343643876	/nfs/dbraw/zinc/64/38/76/343643876.db2.gz	PZFMPKHRGSXHOK-UHFFFAOYSA-N	-1	1	229.195	1.329	40	0		BDABMM
Cn1c(-c2ccccc2N)n[n-]c1=S	ZINC000006534013	346286233	/nfs/dbraw/zinc/28/62/33/346286233.db2.gz	KKAYTPCGFOKKIR-UHFFFAOYSA-N	-1	1	206.274	1.727	40	0		BDABMM
N[C@H](CC(=O)[O-])C(=O)c1c[nH]c2ccccc12	ZINC000016698038	362909356	/nfs/dbraw/zinc/90/93/56/362909356.db2.gz	WSMVDKAQGQSMBA-SECBINFHSA-N	-1	1	232.239	1.153	40	0		BDABMM
CC/C=C(\C)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000001710370	383928181	/nfs/dbraw/zinc/92/81/81/383928181.db2.gz	VFWWVUSKBIDTAN-VOTSOKGWSA-N	-1	1	240.328	1.270	40	0		BDABMM
O=C([O-])C[N@H+]1CCC[C@H]1c1cccs1	ZINC000012397327	384317017	/nfs/dbraw/zinc/31/70/17/384317017.db2.gz	PHTQQQZMFNOWKG-QMMMGPOBSA-N	-1	1	211.286	1.970	40	0		BDABMM
[NH3+][C@H](c1ccccc1)C(F)(F)P(=O)([O-])[O-]	ZINC000095887361	384405025	/nfs/dbraw/zinc/40/50/25/384405025.db2.gz	XTVXSSGYDBSAMT-SSDOTTSWSA-N	-1	1	237.142	1.457	40	0		BDABMM
O=C([O-])c1cc(=O)n(-c2ccc(F)cc2)[nH]1	ZINC000106634852	384926053	/nfs/dbraw/zinc/92/60/53/384926053.db2.gz	VQWAGFOQLMIMNZ-UHFFFAOYSA-N	-1	1	222.175	1.415	40	0		BDABMM
CCOc1n[nH]c(C(=O)[O-])c1Br	ZINC000096509298	385241309	/nfs/dbraw/zinc/24/13/09/385241309.db2.gz	CUPSPGYFPHTMBU-UHFFFAOYSA-N	-1	1	235.037	1.269	40	0		BDABMM
Nc1ccc2nc(SCC(=O)[O-])[nH]c2c1	ZINC000042142521	385827295	/nfs/dbraw/zinc/82/72/95/385827295.db2.gz	YORVKFQSXRYENK-UHFFFAOYSA-N	-1	1	223.257	1.322	40	0		BDABMM
CCCCSc1nc(OC)cc(=O)[n-]1	ZINC000059417356	386479502	/nfs/dbraw/zinc/47/95/02/386479502.db2.gz	GCOZSORFBAJCOB-UHFFFAOYSA-N	-1	1	214.290	1.671	40	0		BDABMM
O=C([O-])[C@@H]1CC2=NC=N[C@H]2[C@H](c2ccccc2)N1	ZINC000521396127	386723601	/nfs/dbraw/zinc/72/36/01/386723601.db2.gz	BXKUCCOZRLNGHB-SDDRHHMPSA-N	-1	1	243.266	1.026	40	0		BDABMM
O=C([O-])[C@@H]1CC2=NC=N[C@H]2[C@@H](c2ccccc2)N1	ZINC000521396126	386724091	/nfs/dbraw/zinc/72/40/91/386724091.db2.gz	BXKUCCOZRLNGHB-QJPTWQEYSA-N	-1	1	243.266	1.026	40	0		BDABMM
Cc1n[n-]c(=S)n1NCc1ccccc1	ZINC000005982125	388351814	/nfs/dbraw/zinc/35/18/14/388351814.db2.gz	AZNZSSCKXNINFD-UHFFFAOYSA-N	-1	1	220.301	1.993	40	0		BDABMM
CC1CCC(=C2NC(=S)[N-]C2=O)CC1	ZINC000005497796	168147804	/nfs/dbraw/zinc/14/78/04/168147804.db2.gz	LXRBPRZWJRREIS-UHFFFAOYSA-N	-1	1	210.302	1.455	40	0		BDABMM
CC[C@H](C)[C@@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001997535	171383062	/nfs/dbraw/zinc/38/30/62/171383062.db2.gz	YYDYCOYEAOTLGT-CPCISQLKSA-N	-1	1	226.276	1.137	40	0		BDABMM
COC(=O)CCCSc1nc(C)cc(=O)[n-]1	ZINC000037286988	173544782	/nfs/dbraw/zinc/54/47/82/173544782.db2.gz	YXGWOOWKPNFFJN-UHFFFAOYSA-N	-1	1	242.300	1.124	40	0		BDABMM
COc1cccc(CNn2cn[n-]c2=S)c1	ZINC000008494700	175270157	/nfs/dbraw/zinc/27/01/57/175270157.db2.gz	KJLHOTXAVJWKMJ-UHFFFAOYSA-N	-1	1	236.300	1.693	40	0		BDABMM
COc1ccc2c(c1)n[nH+]c(C(=O)[O-])c2[O-]	ZINC000225742916	525608574	/nfs/dbraw/zinc/60/85/74/525608574.db2.gz	KDAITGYDHFFZKM-UHFFFAOYSA-N	-1	1	220.184	1.042	40	0		BDABMM
COCc1nc(-c2cccs2)cc(=O)[n-]1	ZINC000072209950	259316005	/nfs/dbraw/zinc/31/60/05/259316005.db2.gz	PDGYYMLNXFLXMM-UHFFFAOYSA-N	-1	1	222.269	1.645	40	0		BDABMM
O=C([O-])[C@H]1CCCCN1Cc1ccco1	ZINC000004384251	342747337	/nfs/dbraw/zinc/74/73/37/342747337.db2.gz	MTRBYKGQHMJTHX-SNVBAGLBSA-N	-1	1	209.245	1.719	40	0		BDABMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)cc(C)c1O	ZINC000006281064	342775866	/nfs/dbraw/zinc/77/58/66/342775866.db2.gz	ZNKFHRDTXWPQSH-WEVVVXLNSA-N	-1	1	248.307	1.354	40	0		BDABMM
N[C@H](C(=O)[O-])c1ccc(Br)s1	ZINC000003677173	343930615	/nfs/dbraw/zinc/93/06/15/343930615.db2.gz	YWMFPOQBNGNHGW-YFKPBYRVSA-N	-1	1	236.090	1.595	40	0		BDABMM
N[C@@H](CC(=O)[O-])c1nc2ccccc2s1	ZINC000014632629	344527624	/nfs/dbraw/zinc/52/76/24/344527624.db2.gz	UFNDPITYHPRXGV-LURJTMIESA-N	-1	1	222.269	1.771	40	0		BDABMM
CC(C)(C)NC(=S)SCC(=O)[O-]	ZINC000005434489	346618090	/nfs/dbraw/zinc/61/80/90/346618090.db2.gz	KLIRUTOMSGILDS-UHFFFAOYSA-N	-1	1	207.320	1.477	40	0		BDABMM
Cc1ncccc1-c1n[n-]c(=S)n1C	ZINC000082480599	180208570	/nfs/dbraw/zinc/20/85/70/180208570.db2.gz	MHOZBKPCXVBLQB-UHFFFAOYSA-N	-1	1	206.274	1.848	40	0		BDABMM
CC(=O)Oc1cc([O-])cc(O)c1C(C)=O	ZINC000044135953	188084928	/nfs/dbraw/zinc/08/49/28/188084928.db2.gz	NJCUKDFYGDWNOS-UHFFFAOYSA-N	-1	1	210.185	1.226	40	0	in-vitro	BDABMM
C/C=C(/CC)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000016927136	188107148	/nfs/dbraw/zinc/10/71/48/188107148.db2.gz	LGOJCVCDIIYTHY-YVMONPNESA-N	-1	1	238.287	1.495	40	0		BDABMM
S=c1[n-]ncn1NCc1cccs1	ZINC000005997608	183314681	/nfs/dbraw/zinc/31/46/81/183314681.db2.gz	RYFXVWFQCBHPJG-UHFFFAOYSA-N	-1	1	212.303	1.746	40	0		BDABMM
Cc1nc(CCC(=O)[O-])cc([C@H]2CCC[N@@H+]2C)n1	ZINC000072363401	383918538	/nfs/dbraw/zinc/91/85/38/383918538.db2.gz	FERHMTGEXUYITK-GFCCVEGCSA-N	-1	1	249.314	1.569	40	0		BDABMM
Cc1nc(CCC(=O)[O-])cc([C@H]2CCCN2C)n1	ZINC000072363401	383918547	/nfs/dbraw/zinc/91/85/47/383918547.db2.gz	FERHMTGEXUYITK-GFCCVEGCSA-N	-1	1	249.314	1.569	40	0		BDABMM
CN(Cc1c([O-])nc[nH]c1=O)c1ccccc1	ZINC000016188566	384453332	/nfs/dbraw/zinc/45/33/32/384453332.db2.gz	XSCFBQBVDGYCGP-UHFFFAOYSA-N	-1	1	231.255	1.112	40	0		BDABMM
O=C([O-])c1cc(=O)n(-c2ccc3c(c2)OCO3)[nH]1	ZINC000217700268	385890647	/nfs/dbraw/zinc/89/06/47/385890647.db2.gz	OOWOOKGKAIQRBJ-UHFFFAOYSA-N	-1	1	248.194	1.005	40	0		BDABMM
COC(=O)Cc1cc(F)cc(F)c1[O-]	ZINC000261212937	386015937	/nfs/dbraw/zinc/01/59/37/386015937.db2.gz	IXXVVVUZGKMJPP-UHFFFAOYSA-N	-1	1	202.156	1.386	40	0		BDABMM
CC[C@@H](C)Sc1nc(OC)cc(=O)[n-]1	ZINC000059417358	386480051	/nfs/dbraw/zinc/48/00/51/386480051.db2.gz	SHWRPYPHEAMRCS-ZCFIWIBFSA-N	-1	1	214.290	1.669	40	0		BDABMM
O=C([O-])[C@@H]1CC2=NC=N[C@@H]2[C@H](c2ccccc2)N1	ZINC000521396128	386724559	/nfs/dbraw/zinc/72/45/59/386724559.db2.gz	BXKUCCOZRLNGHB-SRVKXCTJSA-N	-1	1	243.266	1.026	40	0		BDABMM
Cn1nccc1CNCc1ccccc1C(=O)[O-]	ZINC000236086732	387856412	/nfs/dbraw/zinc/85/64/12/387856412.db2.gz	AJZACFUFYVOYEM-UHFFFAOYSA-N	-1	1	245.282	1.408	40	0		BDABMM
CS[C@H](C)C[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000226718607	387951717	/nfs/dbraw/zinc/95/17/17/387951717.db2.gz	PUXMAVZQHKAIDA-FSDSQADBSA-N	-1	1	221.347	1.244	40	0		BDABMM
O=C1[N-]C(=O)[C@@H](Cc2ccccc2F)S1	ZINC000218823044	388393137	/nfs/dbraw/zinc/39/31/37/388393137.db2.gz	DDZBWNIXOJEHGH-MRVPVSSYSA-N	-1	1	225.244	1.720	40	0		BDABMM
O=C1O[C@@H]([P@@](=O)([O-])O)c2ccccc21	ZINC000034334274	388652001	/nfs/dbraw/zinc/65/20/01/388652001.db2.gz	FCWLIFWRJMCIAC-QMMMGPOBSA-N	-1	1	214.113	1.033	40	0		BDABMM
CCOC(=O)c1nc2c[n-]c(Cl)nc-2n1	ZINC000091691555	170307646	/nfs/dbraw/zinc/30/76/46/170307646.db2.gz	VHQSLOGSXNASGZ-UHFFFAOYSA-N	-1	1	226.623	1.183	40	0		BDABMM
CCOC(=O)c1nc2cnc(Cl)[n-]c-2n1	ZINC000091691555	170307648	/nfs/dbraw/zinc/30/76/48/170307648.db2.gz	VHQSLOGSXNASGZ-UHFFFAOYSA-N	-1	1	226.623	1.183	40	0		BDABMM
CCOC(=O)c1nc2cnc(Cl)nc2[n-]1	ZINC000091691555	170307650	/nfs/dbraw/zinc/30/76/50/170307650.db2.gz	VHQSLOGSXNASGZ-UHFFFAOYSA-N	-1	1	226.623	1.183	40	0		BDABMM
CC[C@@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700923	171162457	/nfs/dbraw/zinc/16/24/57/171162457.db2.gz	BKPDIQVBNXYVTP-GMSGAONNSA-N	-1	1	203.241	1.478	40	0		BDABMM
[NH3+][C@H](CC(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000002586148	527384411	/nfs/dbraw/zinc/38/44/11/527384411.db2.gz	ZIFPJQPZAJKVRH-SSDOTTSWSA-N	-1	1	215.636	1.520	40	0		BDABMM
CC[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000028210238	136222335	/nfs/dbraw/zinc/22/23/35/136222335.db2.gz	OPVBVYATHMYOTK-QMMMGPOBSA-N	-1	1	245.282	1.864	40	0		BDABMM
NCc1nc(-c2nc(C(=O)[O-])cs2)cs1	ZINC000204154436	538952631	/nfs/dbraw/zinc/95/26/31/538952631.db2.gz	VUWHTCLHZCEADK-UHFFFAOYSA-N	-1	1	241.297	1.424	40	0		BDABMM
CCc1c([O-])[nH]c2c(F)cccc2c1=O	ZINC000002552384	342723813	/nfs/dbraw/zinc/72/38/13/342723813.db2.gz	CPTWGIIULMFULN-UHFFFAOYSA-N	-1	1	207.204	1.935	40	0		BDABMM
Nc1n[n-]c(=S)n1Cc1ccccc1	ZINC000018044544	342930928	/nfs/dbraw/zinc/93/09/28/342930928.db2.gz	XECXPKJSLBZJDJ-UHFFFAOYSA-N	-1	1	206.274	1.571	40	0		BDABMM
CC(C)(C)C[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000035572351	343298419	/nfs/dbraw/zinc/29/84/19/343298419.db2.gz	WBGSEGFGHVFBQZ-RNFRBKRXSA-N	-1	1	203.307	1.538	40	0		BDABMM
O=c1c2n[n-]c(=S)n2ccn1-c1ccccc1	ZINC000013363089	362220755	/nfs/dbraw/zinc/22/07/55/362220755.db2.gz	NRKXTKCQHOZNJP-UHFFFAOYSA-N	-1	1	244.279	1.543	40	0		BDABMM
O=C([N-]c1nc[nH]n1)c1nc2ccccc2s1	ZINC000169830207	259365259	/nfs/dbraw/zinc/36/52/59/259365259.db2.gz	XRNMZUOYSGJZCE-UHFFFAOYSA-N	-1	1	245.267	1.667	40	0		BDABMM
CCOc1ccc(-c2nc(N)cc(=O)[n-]2)cc1	ZINC000049468768	343598956	/nfs/dbraw/zinc/59/89/56/343598956.db2.gz	DHOJJWCUNYPYCZ-UHFFFAOYSA-N	-1	1	231.255	1.418	40	0		BDABMM
Cc1nc2ccc(NC(=O)CC(=O)[O-])cc2[nH]1	ZINC000050918719	180094280	/nfs/dbraw/zinc/09/42/80/180094280.db2.gz	LYSQCHFOWMLDDI-UHFFFAOYSA-N	-1	1	233.227	1.285	40	0		BDABMM
CCCCC1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000005647327	191122804	/nfs/dbraw/zinc/12/28/04/191122804.db2.gz	TZEHVHWISALEFS-UHFFFAOYSA-N	-1	1	226.276	1.185	40	0		BDABMM
CCN(CC)c1ccc([P@H](=O)[O-])cc1	ZINC000005840609	384131830	/nfs/dbraw/zinc/13/18/30/384131830.db2.gz	JEECYBXESWHQII-UHFFFAOYSA-N	-1	1	213.217	1.625	40	0		BDABMM
Cn1nccc1[C@H]1CCC[N@H+]1CCC(=O)[O-]	ZINC000012398751	384315906	/nfs/dbraw/zinc/31/59/06/384315906.db2.gz	LBWUSXZTMGDIID-SNVBAGLBSA-N	-1	1	223.276	1.032	40	0		BDABMM
O=C([O-])CC[N@H+]1CCC[C@@H]1c1ccco1	ZINC000012398675	384316792	/nfs/dbraw/zinc/31/67/92/384316792.db2.gz	PCBRCXMSPJVZFM-SECBINFHSA-N	-1	1	209.245	1.891	40	0		BDABMM
O=c1cc(-c2ccccc2Cl)nc2[n-]cnn21	ZINC000100136839	384619625	/nfs/dbraw/zinc/61/96/25/384619625.db2.gz	GFKMDMTZLRGDAY-UHFFFAOYSA-N	-1	1	246.657	1.738	40	0		BDABMM
O=c1cc(Cl)nc(-c2ccccn2)[n-]1	ZINC000144246071	388100858	/nfs/dbraw/zinc/10/08/58/388100858.db2.gz	MJCFDGRMIZCQQP-UHFFFAOYSA-N	-1	1	207.620	1.485	40	0		BDABMM
Cc1nc(CN2CCCCCC2)ncc1C(=O)[O-]	ZINC000217345009	388570062	/nfs/dbraw/zinc/57/00/62/388570062.db2.gz	IUSQOKBHJWQBPB-UHFFFAOYSA-N	-1	1	249.314	1.859	40	0		BDABMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)[O-]	ZINC000100844949	168134973	/nfs/dbraw/zinc/13/49/73/168134973.db2.gz	XESBVBCUPVXXIS-VIFPVBQESA-N	-1	1	218.212	1.110	40	0		BDABMM
CCOC(=O)c1nc2c([n-]1)CCCC2=O	ZINC000022126544	170307459	/nfs/dbraw/zinc/30/74/59/170307459.db2.gz	BBTVTOLQSGXKTP-UHFFFAOYSA-N	-1	1	208.217	1.105	40	0		BDABMM
CN1CCc2sc(CC(=O)[O-])cc2C1	ZINC000082373327	173177187	/nfs/dbraw/zinc/17/71/87/173177187.db2.gz	INXIEVNGMWLCOE-UHFFFAOYSA-N	-1	1	211.286	1.363	40	0		BDABMM
COc1cccc(-c2nc(N)cc(=O)[n-]2)c1	ZINC000035676618	175236632	/nfs/dbraw/zinc/23/66/32/175236632.db2.gz	VNTJSVVNUQUXKX-UHFFFAOYSA-N	-1	1	217.228	1.028	40	0		BDABMM
CC[C@H](NN)c1cc(F)c([O-])c(F)c1	ZINC000199536110	522676188	/nfs/dbraw/zinc/67/61/88/522676188.db2.gz	GTOYJVSKQGDMDH-QMMMGPOBSA-N	-1	1	202.204	1.585	40	0		BDABMM
CC(C)/C=C/C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000005440261	342763949	/nfs/dbraw/zinc/76/39/49/342763949.db2.gz	NQSWPBYIWLEEIE-AATRIKPKSA-N	-1	1	238.287	1.207	40	0		BDABMM
CCN1CCN(c2ncc(C(=O)[O-])cc2C)CC1	ZINC000072222580	259320810	/nfs/dbraw/zinc/32/08/10/259320810.db2.gz	HBQJAKDBLZASJR-UHFFFAOYSA-N	-1	1	249.314	1.230	40	0		BDABMM
Cn1cc(C(=O)[C@H](N)CC(=O)[O-])c2ccccc21	ZINC000016698125	342914503	/nfs/dbraw/zinc/91/45/03/342914503.db2.gz	ZAPBEBOFXQNRAL-SNVBAGLBSA-N	-1	1	246.266	1.163	40	0		BDABMM
CS[C@@H](C)C[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000035572318	343298570	/nfs/dbraw/zinc/29/85/70/343298570.db2.gz	PUXMAVZQHKAIDA-ACZMJKKPSA-N	-1	1	221.347	1.244	40	0		BDABMM
CCc1c([O-])[nH]c2c(OC)cccc2c1=O	ZINC000003944995	537972856	/nfs/dbraw/zinc/97/28/56/537972856.db2.gz	RZCMNUYMYCJZJC-UHFFFAOYSA-N	-1	1	219.240	1.805	40	0		BDABMM
Cc1ccccc1OCc1nc(N)cc(=O)[n-]1	ZINC000049468780	179313163	/nfs/dbraw/zinc/31/31/63/179313163.db2.gz	ASLJEVHNRWQQNW-UHFFFAOYSA-N	-1	1	231.255	1.240	40	0		BDABMM
O=C(c1ccccc1[O-])n1nnc2ccccc21	ZINC000005771119	349133746	/nfs/dbraw/zinc/13/37/46/349133746.db2.gz	MYHCFYDWOKNXIO-UHFFFAOYSA-N	-1	1	239.234	1.825	40	0		BDABMM
Cc1nc(SCCO)[n-]c(=O)c1CC(C)C	ZINC000027579040	180030921	/nfs/dbraw/zinc/03/09/21/180030921.db2.gz	SWSDOQGPOVEMCE-UHFFFAOYSA-N	-1	1	242.344	1.361	40	0		BDABMM
CC(C)=CCc1c([O-])n2ccccc2nc1=O	ZINC000100796620	191063794	/nfs/dbraw/zinc/06/37/94/191063794.db2.gz	CQLXOYCMBQRJCV-UHFFFAOYSA-N	-1	1	230.267	1.909	40	0		BDABMM
CC(C)=CCc1c([O-])nc2ccccn2c1=O	ZINC000100796620	191063797	/nfs/dbraw/zinc/06/37/97/191063797.db2.gz	CQLXOYCMBQRJCV-UHFFFAOYSA-N	-1	1	230.267	1.909	40	0		BDABMM
CC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-]	ZINC000005830124	351195965	/nfs/dbraw/zinc/19/59/65/351195965.db2.gz	FSJLWUIYXZXJIA-QWHCGFSZSA-N	-1	1	247.294	1.408	40	0		BDABMM
C/C=C(/CC)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000016921317	188106766	/nfs/dbraw/zinc/10/67/66/188106766.db2.gz	JVZPCUDAUIGZKV-DAXSKMNVSA-N	-1	1	240.328	1.270	40	0		BDABMM
COc1ccc(Cc2nc([O-])cc(=O)[nH]2)cc1	ZINC000022113372	188109494	/nfs/dbraw/zinc/10/94/94/188109494.db2.gz	FWJJHSQWJQNUTE-UHFFFAOYSA-N	-1	1	232.239	1.487	40	0		BDABMM
CC(C)Cn1nnnc1-c1ccncc1[O-]	ZINC000685938217	538763978	/nfs/dbraw/zinc/76/39/78/538763978.db2.gz	LUGSOXBSJZVTIT-UHFFFAOYSA-N	-1	1	219.248	1.097	40	0		BDABMM
O=C([O-])c1cc(OCCc2ccccc2)n[nH]1	ZINC000096510755	182557673	/nfs/dbraw/zinc/55/76/73/182557673.db2.gz	LFOXLSBWVDSJFY-UHFFFAOYSA-N	-1	1	232.239	1.729	40	0		BDABMM
CCCCc1c([O-])[nH]c(=S)n(C)c1=O	ZINC000005554543	169013072	/nfs/dbraw/zinc/01/30/72/169013072.db2.gz	GYAQXINQSJDJPH-LURJTMIESA-N	-1	1	214.290	1.077	40	0		BDABMM
CCCCn1cc(-c2nccc(=O)[n-]2)cn1	ZINC000072226213	169034895	/nfs/dbraw/zinc/03/48/95/169034895.db2.gz	YYMXXKPFFBESMY-UHFFFAOYSA-N	-1	1	218.260	1.434	40	0		BDABMM
CCCSc1nc([O-])cc(=O)n1CC	ZINC000100962608	169341283	/nfs/dbraw/zinc/34/12/83/169341283.db2.gz	CYKBXBJVJKOHNR-UHFFFAOYSA-N	-1	1	214.290	1.471	40	0		BDABMM
CCC[C@@H](C)[C@@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001661095	169373643	/nfs/dbraw/zinc/37/36/43/169373643.db2.gz	OIIGBIYLGSWNKY-PELKAZGASA-N	-1	1	240.303	1.527	40	0		BDABMM
O=C([O-])Cc1n[nH]c2cc(Cl)ccc21	ZINC000035569845	383860387	/nfs/dbraw/zinc/86/03/87/383860387.db2.gz	PSEDUPQQLIMVBQ-UHFFFAOYSA-N	-1	1	210.620	1.843	40	0		BDABMM
C/C=C(\CC)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000001714804	383929229	/nfs/dbraw/zinc/92/92/29/383929229.db2.gz	LGOJCVCDIIYTHY-VMPITWQZSA-N	-1	1	238.287	1.495	40	0		BDABMM
O=C([O-])c1cc(=O)n(-c2c(F)cccc2F)[nH]1	ZINC000118627685	384205605	/nfs/dbraw/zinc/20/56/05/384205605.db2.gz	FHCPXGZXTPYFHU-UHFFFAOYSA-N	-1	1	240.165	1.554	40	0		BDABMM
O=C(Cc1ccccc1)C1=C([O-])CCC1=O	ZINC000100675853	384651673	/nfs/dbraw/zinc/65/16/73/384651673.db2.gz	QUGFYVBQHOVRAZ-UHFFFAOYSA-N	-1	1	216.236	1.346	40	0		BDABMM
CC(C)n1ncc2c1nc(Cl)[n-]c2=O	ZINC000096511388	385251772	/nfs/dbraw/zinc/25/17/72/385251772.db2.gz	PEFKACKXDIWDIX-UHFFFAOYSA-N	-1	1	212.640	1.766	40	0		BDABMM
CCOC(=O)c1nc2ccc(Cl)[n-]c-2n1	ZINC000091351845	170307851	/nfs/dbraw/zinc/30/78/51/170307851.db2.gz	HJXGNUPEACAWBG-UHFFFAOYSA-N	-1	1	225.635	1.788	40	0		BDABMM
CCOC(=O)c1nc2ccc(Cl)nc2[n-]1	ZINC000091351845	170307853	/nfs/dbraw/zinc/30/78/53/170307853.db2.gz	HJXGNUPEACAWBG-UHFFFAOYSA-N	-1	1	225.635	1.788	40	0		BDABMM
COc1cc2c(c(Cl)c1[O-])C(=O)OC2	ZINC000001679232	175019988	/nfs/dbraw/zinc/01/99/88/175019988.db2.gz	OHKJBDFZKMNCHQ-UHFFFAOYSA-N	-1	1	214.604	1.725	40	0		BDABMM
COc1cccc(C([O-])=C2C(=O)CCC2=O)c1	ZINC000100675869	175241995	/nfs/dbraw/zinc/24/19/95/175241995.db2.gz	WQTYFGRXLFZGDK-UHFFFAOYSA-N	-1	1	232.235	1.426	40	0		BDABMM
COCc1nc(C2CCCCC2)cc(=O)[n-]1	ZINC000072209943	259315864	/nfs/dbraw/zinc/31/58/64/259315864.db2.gz	NXZHOGDBQLHIJP-UHFFFAOYSA-N	-1	1	222.288	1.964	40	0		BDABMM
O=C(c1ncccc1[O-])N1CCCCC1	ZINC000001872280	342713266	/nfs/dbraw/zinc/71/32/66/342713266.db2.gz	LSEHTNHVLNXOKW-UHFFFAOYSA-N	-1	1	206.245	1.413	40	0		BDABMM
CCCC/C=C\C1(C)C(=O)[N-]C(=O)NC1=O	ZINC000005032004	342756871	/nfs/dbraw/zinc/75/68/71/342756871.db2.gz	VSWQDKUTTXAYKT-SREVYHEPSA-N	-1	1	224.260	1.105	40	0		BDABMM
Cc1cc(-c2ccccc2)n2[n-]c(=O)cc2n1	ZINC000020353108	342982794	/nfs/dbraw/zinc/98/27/94/342982794.db2.gz	BMDWEBUPABUYNC-UHFFFAOYSA-N	-1	1	225.251	1.998	40	0		BDABMM
O=C([O-])c1cc(OCc2ccccc2)n[nH]1	ZINC000072209345	343882916	/nfs/dbraw/zinc/88/29/16/343882916.db2.gz	DIGRPQYPSPPNTD-UHFFFAOYSA-N	-1	1	218.212	1.687	40	0		BDABMM
COc1ccc2c(=O)cc([O-])[nH]c2c1OC	ZINC000014684901	344651986	/nfs/dbraw/zinc/65/19/86/344651986.db2.gz	BCTRHMVIMWNWNM-UHFFFAOYSA-N	-1	1	221.212	1.251	40	0		BDABMM
CCCC1(CCC(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001710350	188100422	/nfs/dbraw/zinc/10/04/22/188100422.db2.gz	RDYMEDVXKQMMHS-UHFFFAOYSA-N	-1	1	240.303	1.575	40	0		BDABMM
O=c1[nH]c2nncn2c([O-])c1Cc1ccccc1	ZINC000002202332	356630780	/nfs/dbraw/zinc/63/07/80/356630780.db2.gz	UOSYDNZYAADQMJ-UHFFFAOYSA-N	-1	1	242.238	1.126	40	0		BDABMM
COC(=O)c1[n-]c(C(C)C)nc1Cl	ZINC000256053033	370636999	/nfs/dbraw/zinc/63/69/99/370636999.db2.gz	PSSJKDNQKLMBOQ-UHFFFAOYSA-N	-1	1	202.641	1.973	40	0		BDABMM
O=c1[n-]cnc(C(F)F)c1Br	ZINC000096529376	183309677	/nfs/dbraw/zinc/30/96/77/183309677.db2.gz	AJXVRPMPAQQGQP-UHFFFAOYSA-N	-1	1	224.992	1.882	40	0		BDABMM
CC(C)C[C@@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000001728890	383931307	/nfs/dbraw/zinc/93/13/07/383931307.db2.gz	NTPXJGMMHSVWMF-RXMQYKEDSA-N	-1	1	227.182	1.164	40	0		BDABMM
CCC1(CC(C)(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001752256	383933213	/nfs/dbraw/zinc/93/32/13/383933213.db2.gz	AYNXKQYVBPNMGV-UHFFFAOYSA-N	-1	1	226.276	1.185	40	0		BDABMM
CC[C@@H](C)[C@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001997536	383944599	/nfs/dbraw/zinc/94/45/99/383944599.db2.gz	YYDYCOYEAOTLGT-RDDDGLTNSA-N	-1	1	226.276	1.137	40	0		BDABMM
C/C=C/C[C@@]1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005179222	384106955	/nfs/dbraw/zinc/10/69/55/384106955.db2.gz	SRABXPYYLYHQEQ-SNAWJCMRSA-N	-1	1	240.328	1.537	40	0		BDABMM
C/C=C/C[C@]1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005179222	384106958	/nfs/dbraw/zinc/10/69/58/384106958.db2.gz	SRABXPYYLYHQEQ-SNAWJCMRSA-N	-1	1	240.328	1.537	40	0		BDABMM
CC(C)C[C@]1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005962859	384140116	/nfs/dbraw/zinc/14/01/16/384140116.db2.gz	GIRLRRJIUZRLEP-UHFFFAOYSA-N	-1	1	242.344	1.617	40	0		BDABMM
CC(C)C[C@@]1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005962859	384140123	/nfs/dbraw/zinc/14/01/23/384140123.db2.gz	GIRLRRJIUZRLEP-UHFFFAOYSA-N	-1	1	242.344	1.617	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccccc1F	ZINC000100232659	384625212	/nfs/dbraw/zinc/62/52/12/384625212.db2.gz	WWQYSGWWKOIREV-JTQLQIEISA-N	-1	1	238.214	1.387	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccc(F)cc1	ZINC000100232648	384625834	/nfs/dbraw/zinc/62/58/34/384625834.db2.gz	FVSKWULORMNCHA-JTQLQIEISA-N	-1	1	238.214	1.387	40	0		BDABMM
CC(C)Oc1n[nH]c(C(=O)[O-])c1Br	ZINC000096509299	167311677	/nfs/dbraw/zinc/31/16/77/167311677.db2.gz	ZBARWZBGKLSYAL-UHFFFAOYSA-N	-1	1	249.064	1.658	40	0		BDABMM
CCOC(=O)c1cccc(-n2[n-]c(C)cc2=O)c1	ZINC000005474446	170298813	/nfs/dbraw/zinc/29/88/13/170298813.db2.gz	AQZWDEVQKKEAMR-UHFFFAOYSA-N	-1	1	246.266	1.976	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2cccc(C)c2)n1	ZINC000085385912	170305962	/nfs/dbraw/zinc/30/59/62/170305962.db2.gz	CTCKIUPPHDTOES-UHFFFAOYSA-N	-1	1	231.255	1.957	40	0		BDABMM
CCOC(=O)c1nc(-c2ccccc2OC)n[n-]1	ZINC000085385843	170306155	/nfs/dbraw/zinc/30/61/55/170306155.db2.gz	YWVWRTOLCBGMDL-UHFFFAOYSA-N	-1	1	247.254	1.657	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccccc2OC)n1	ZINC000085385843	170306159	/nfs/dbraw/zinc/30/61/59/170306159.db2.gz	YWVWRTOLCBGMDL-UHFFFAOYSA-N	-1	1	247.254	1.657	40	0		BDABMM
CCOC(=O)c1nc(-c2ccoc2C)n[n-]1	ZINC000071048942	170306885	/nfs/dbraw/zinc/30/68/85/170306885.db2.gz	HXCVOTWXBNGGFV-UHFFFAOYSA-N	-1	1	221.216	1.550	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccoc2C)n1	ZINC000071048942	170306889	/nfs/dbraw/zinc/30/68/89/170306889.db2.gz	HXCVOTWXBNGGFV-UHFFFAOYSA-N	-1	1	221.216	1.550	40	0		BDABMM
CCOC(=O)c1nc2nc(OC)ccc2[n-]1	ZINC000071257671	170307552	/nfs/dbraw/zinc/30/75/52/170307552.db2.gz	SHTJQSDTBMNHDC-UHFFFAOYSA-N	-1	1	221.216	1.143	40	0		BDABMM
CCOC(=O)c1nc2ccc(OC)nc2[n-]1	ZINC000071257671	170307554	/nfs/dbraw/zinc/30/75/54/170307554.db2.gz	SHTJQSDTBMNHDC-UHFFFAOYSA-N	-1	1	221.216	1.143	40	0		BDABMM
CCn1c(=O)[n-]c(Cl)c(Cl)c1=O	ZINC000096524090	172145677	/nfs/dbraw/zinc/14/56/77/172145677.db2.gz	MLNCHQNQEIOSDN-UHFFFAOYSA-N	-1	1	209.032	1.276	40	0		BDABMM
CCn1ccc([C@@H]2CCCN2CCC(=O)[O-])n1	ZINC000012398744	172201367	/nfs/dbraw/zinc/20/13/67/172201367.db2.gz	ORKGMBBURMIEJB-NSHDSACASA-N	-1	1	237.303	1.515	40	0		BDABMM
COc1ccc(-n2[n-]c(C)cc2=O)cc1	ZINC000100431210	175044531	/nfs/dbraw/zinc/04/45/31/175044531.db2.gz	PRZFKFLPHSPCSM-UHFFFAOYSA-N	-1	1	204.229	1.895	40	0		BDABMM
CCCCc1c([O-])nc2nc(C)cc(C)n2c1=O	ZINC000016973350	535077359	/nfs/dbraw/zinc/07/73/59/535077359.db2.gz	CUCNXUIWGNOJLC-UHFFFAOYSA-N	-1	1	247.298	1.755	40	0		BDABMM
Cc1cccc(C=C2SC(=O)[N-]C2=O)n1	ZINC000113834799	136216990	/nfs/dbraw/zinc/21/69/90/136216990.db2.gz	ZBTKXTLCVWQWFQ-VMPITWQZSA-N	-1	1	220.253	1.714	40	0		BDABMM
CC(C)(C)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000028210241	136222339	/nfs/dbraw/zinc/22/23/39/136222339.db2.gz	PFBSULAWJYBPSR-UHFFFAOYSA-N	-1	1	245.282	1.864	40	0		BDABMM
O=C(c1ccccc1)c1oc(CO)cc(=O)c1[O-]	ZINC000001673131	342708072	/nfs/dbraw/zinc/70/80/72/342708072.db2.gz	IEWFDZBYAUUDMW-UHFFFAOYSA-N	-1	1	246.218	1.069	40	0		BDABMM
CCc1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O	ZINC000002040320	342715140	/nfs/dbraw/zinc/71/51/40/342715140.db2.gz	WCCUCVYMWMWXAG-VIFPVBQESA-N	-1	1	238.287	1.424	40	0		BDABMM
CCC1(c2ccc(C)cc2)C(=O)[N-]C(=O)NC1=O	ZINC000003008696	342729462	/nfs/dbraw/zinc/72/94/62/342729462.db2.gz	ZYJDWGKPBQDCBX-UHFFFAOYSA-N	-1	1	246.266	1.009	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccc(C)c(C)c1	ZINC000036532513	343320094	/nfs/dbraw/zinc/32/00/94/343320094.db2.gz	HRNILWJKWPNLSD-GFCCVEGCSA-N	-1	1	248.278	1.864	40	0		BDABMM
Cc1cccc(-c2nc(N)cc(=O)[n-]2)c1	ZINC000020594178	178996728	/nfs/dbraw/zinc/99/67/28/178996728.db2.gz	NACQDNNJYVAXMA-UHFFFAOYSA-N	-1	1	201.229	1.328	40	0		BDABMM
Cn1c(CNC(=O)c2ccccc2)n[n-]c1=S	ZINC000005521240	346266248	/nfs/dbraw/zinc/26/62/48/346266248.db2.gz	ZJPQKEJRKLDTSN-UHFFFAOYSA-N	-1	1	248.311	1.408	40	0		BDABMM
C/C=C(/C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000016921350	188107500	/nfs/dbraw/zinc/10/75/00/188107500.db2.gz	MSRRTOILHOOSTG-ALCCZGGFSA-N	-1	1	224.260	1.105	40	0		BDABMM
CC(C)[C@@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700929	188159808	/nfs/dbraw/zinc/15/98/08/188159808.db2.gz	WZBUQAGZTHTMEN-MNOVXSKESA-N	-1	1	217.268	1.724	40	0		BDABMM
Nc1cc(=O)[n-]c(SCc2cccs2)n1	ZINC000006414081	358013133	/nfs/dbraw/zinc/01/31/33/358013133.db2.gz	MNWQHRVOFCJFAT-UHFFFAOYSA-N	-1	1	239.325	1.706	40	0		BDABMM
CC(=C/c1ccccc1)/C=C1\NC(=S)[N-]C1=O	ZINC000005854223	384134639	/nfs/dbraw/zinc/13/46/39/384134639.db2.gz	OPQKJTOYYQZONP-JLUCNAMBSA-N	-1	1	244.319	1.978	40	0		BDABMM
Cc1ccc(OCc2cc(=O)[n-]c(CO)n2)cc1	ZINC000095094000	384911060	/nfs/dbraw/zinc/91/10/60/384911060.db2.gz	OFZUORYGPHUOID-UHFFFAOYSA-N	-1	1	246.266	1.150	40	0		BDABMM
CCCn1cc(-c2nc(C)cc(=O)[n-]2)cn1	ZINC000072226219	385125755	/nfs/dbraw/zinc/12/57/55/385125755.db2.gz	OOSKPIVSIIPCMO-UHFFFAOYSA-N	-1	1	218.260	1.352	40	0		BDABMM
Cc1nc(Nc2ccccc2)[n-]c(=O)c1CCO	ZINC000009939326	385247512	/nfs/dbraw/zinc/24/75/12/385247512.db2.gz	WZTRSKIMDNKDDS-UHFFFAOYSA-N	-1	1	245.282	1.357	40	0		BDABMM
Nn1c(CNc2ccccc2)n[n-]c1=S	ZINC000026441706	385545889	/nfs/dbraw/zinc/54/58/89/385545889.db2.gz	QZPLEZCDWOEEEI-UHFFFAOYSA-N	-1	1	221.289	1.267	40	0		BDABMM
O=c1cc(Cl)nc([C@@H]2CCCO2)[n-]1	ZINC000217729470	388380035	/nfs/dbraw/zinc/38/00/35/388380035.db2.gz	JFUOHUKXOGIQGQ-YFKPBYRVSA-N	-1	1	200.625	1.275	40	0		BDABMM
Cc1nnc(Nc2ccc(O)cc2)[n-]c1=S	ZINC000041104949	388432619	/nfs/dbraw/zinc/43/26/19/388432619.db2.gz	BMSVLXSZFLMBOA-UHFFFAOYSA-N	-1	1	234.284	1.918	40	0		BDABMM
COc1cc(F)c([C@H](N)C(=O)[O-])c(F)c1	ZINC000199809205	388654790	/nfs/dbraw/zinc/65/47/90/388654790.db2.gz	KSEVPTJSGOGAMU-QMMMGPOBSA-N	-1	1	217.171	1.058	40	0		BDABMM
CCOC(=O)C(=O)C1=C([O-])c2ccccc2CC1	ZINC000100042953	170183835	/nfs/dbraw/zinc/18/38/35/170183835.db2.gz	RBOWCRFKIGSQKA-LLVKDONJSA-N	-1	1	246.262	1.564	40	0		BDABMM
CCOC(=O)c1[n-]cnc1Br	ZINC000032220100	170308005	/nfs/dbraw/zinc/30/80/05/170308005.db2.gz	YFNDBQRGZTZNRU-UHFFFAOYSA-N	-1	1	219.038	1.349	40	0		BDABMM
CCOC(=O)c1nc[n-]c1Br	ZINC000032220100	170308007	/nfs/dbraw/zinc/30/80/07/170308007.db2.gz	YFNDBQRGZTZNRU-UHFFFAOYSA-N	-1	1	219.038	1.349	40	0		BDABMM
CC[C@@]1(CCC(C)C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000005651578	171210557	/nfs/dbraw/zinc/21/05/57/171210557.db2.gz	YWIUVCAWUTXGNE-GFCCVEGCSA-N	-1	1	240.303	1.527	40	0		BDABMM
COc1ccc2n[nH+]c(C(=O)[O-])c([O-])c2c1	ZINC000225742869	525682820	/nfs/dbraw/zinc/68/28/20/525682820.db2.gz	VWXPFYALPLJTFX-UHFFFAOYSA-N	-1	1	220.184	1.042	40	0		BDABMM
Nc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1	ZINC000005161907	342758964	/nfs/dbraw/zinc/75/89/64/342758964.db2.gz	PSHPCZGANRRQDN-UHFFFAOYSA-N	-1	1	249.291	1.807	40	0	in-vitro	BDABMM
Nc1ncc(Cl)c(Br)c1[O-]	ZINC000021981835	343031573	/nfs/dbraw/zinc/03/15/73/343031573.db2.gz	GYYGRGYDRYQMQD-UHFFFAOYSA-N	-1	1	223.457	1.785	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccc(C)cc1	ZINC000000126579	345164377	/nfs/dbraw/zinc/16/43/77/345164377.db2.gz	ROWRTHTUTYQZNK-LLVKDONJSA-N	-1	1	234.251	1.556	40	0		BDABMM
O=C([O-])[C@H]1CS[C@H]([C@H]2CC=CCC2)N1	ZINC000002390280	346217142	/nfs/dbraw/zinc/21/71/42/346217142.db2.gz	KORGWTQUZHJROE-DJLDLDEBSA-N	-1	1	213.302	1.458	40	0		BDABMM
CC(C)[C@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700928	346470216	/nfs/dbraw/zinc/47/02/16/346470216.db2.gz	WZBUQAGZTHTMEN-QWRGUYRKSA-N	-1	1	217.268	1.724	40	0		BDABMM
CCCc1n[nH]c(S[C@@H](C)C(=O)[O-])n1	ZINC000020395872	347442971	/nfs/dbraw/zinc/44/29/71/347442971.db2.gz	WHBVDAISKHMJRB-YFKPBYRVSA-N	-1	1	215.278	1.322	40	0		BDABMM
CCCc1nnc(S[C@@H](C)C(=O)[O-])[nH]1	ZINC000020395872	347442974	/nfs/dbraw/zinc/44/29/74/347442974.db2.gz	WHBVDAISKHMJRB-YFKPBYRVSA-N	-1	1	215.278	1.322	40	0		BDABMM
CCC[C@@H]1CCCCC12C(=O)[N-]C(=O)NC2=O	ZINC000005014695	384095568	/nfs/dbraw/zinc/09/55/68/384095568.db2.gz	BCQVVBFPFXLDSM-MRVPVSSYSA-N	-1	1	238.287	1.329	40	0		BDABMM
Cn1nccc1CN1CCC(CC(=O)[O-])CC1	ZINC000012398822	387849446	/nfs/dbraw/zinc/84/94/46/387849446.db2.gz	UTTBWJHPMYLNGL-UHFFFAOYSA-N	-1	1	237.303	1.107	40	0		BDABMM
O=C([O-])c1cc(=O)n(-c2cccc(Cl)c2)[nH]1	ZINC000042411244	398015007	/nfs/dbraw/zinc/01/50/07/398015007.db2.gz	ANNBJBJNNAJLMO-UHFFFAOYSA-N	-1	1	238.630	1.930	40	0		BDABMM
CCOC(=O)C(=O)C1=C([O-])c2ccccc2CC1	ZINC000100042956	170184594	/nfs/dbraw/zinc/18/45/94/170184594.db2.gz	RBOWCRFKIGSQKA-NSHDSACASA-N	-1	1	246.262	1.564	40	0		BDABMM
CCOC(=O)NC(=S)[N-]c1ccn(C)c1	ZINC000005828313	170240724	/nfs/dbraw/zinc/24/07/24/170240724.db2.gz	NSZWPWUGCYWFET-UHFFFAOYSA-N	-1	1	227.289	1.468	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccc(C)cc2)n1	ZINC000085385909	170305451	/nfs/dbraw/zinc/30/54/51/170305451.db2.gz	JPOMAQCZEYZCJI-UHFFFAOYSA-N	-1	1	231.255	1.957	40	0		BDABMM
CC[C@H](C)[C@@H](Nc1ncnc2[nH]cnc21)C(=O)[O-]	ZINC000001683950	171374450	/nfs/dbraw/zinc/37/44/50/171374450.db2.gz	DYJGDOBRQHPAGK-NKWVEPMBSA-N	-1	1	249.274	1.264	40	0		BDABMM
CCn1ccc([C@H]2CCCN2CCC(=O)[O-])n1	ZINC000012398746	172201534	/nfs/dbraw/zinc/20/15/34/172201534.db2.gz	ORKGMBBURMIEJB-LLVKDONJSA-N	-1	1	237.303	1.515	40	0		BDABMM
COC(=O)c1ccc([O-])c(-c2cc[nH]n2)c1	ZINC000085390094	173885525	/nfs/dbraw/zinc/88/55/25/173885525.db2.gz	VMNCROLARNAOGN-UHFFFAOYSA-N	-1	1	218.212	1.569	40	0		BDABMM
C[C@@H](c1ccccc1)[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000005729909	176023316	/nfs/dbraw/zinc/02/33/16/176023316.db2.gz	XTLKRSWKWLNJDS-GDPRMGEGSA-N	-1	1	237.324	1.906	40	0		BDABMM
CCc1c(Nc2ccc(C)cc2)nc(N)[n-]c1=O	ZINC000008617771	342801237	/nfs/dbraw/zinc/80/12/37/342801237.db2.gz	HLJNEFHLYLLLGU-UHFFFAOYSA-N	-1	1	244.298	1.967	40	0		BDABMM
Cc1cc([O-])c(C(=O)C(F)(F)F)c(=O)o1	ZINC000032604021	342853872	/nfs/dbraw/zinc/85/38/72/342853872.db2.gz	PZZBHGGJRYRANK-UHFFFAOYSA-N	-1	1	222.118	1.399	40	0		BDABMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2C)n1	ZINC000035587903	343585133	/nfs/dbraw/zinc/58/51/33/343585133.db2.gz	DZTHJJDLAVXFBK-UHFFFAOYSA-N	-1	1	232.287	1.937	40	0		BDABMM
O=c1[n-]c(Cl)nc2c1cnn2CC1CC1	ZINC000096511398	188147443	/nfs/dbraw/zinc/14/74/43/188147443.db2.gz	CJWNSFHGEJQBAU-UHFFFAOYSA-N	-1	1	224.651	1.595	40	0		BDABMM
CCCC[C@H](CC)[C@@H](O)[P@](=O)([O-])O	ZINC000031350039	169001625	/nfs/dbraw/zinc/00/16/25/169001625.db2.gz	GLYRBOZDGLTONH-YUMQZZPRSA-N	-1	1	210.210	1.699	40	0		BDABMM
CCCCc1ccc(-c2nn[n-]n2)nc1	ZINC000005784799	169019778	/nfs/dbraw/zinc/01/97/78/169019778.db2.gz	MLSHGCUPTROGPK-UHFFFAOYSA-N	-1	1	203.249	1.604	40	0		BDABMM
C/C=C(\C)C1(CCCC)C(=O)[N-]C(=O)NC1=O	ZINC000001710338	383927427	/nfs/dbraw/zinc/92/74/27/383927427.db2.gz	HCIVICGGJAIDCU-VMPITWQZSA-N	-1	1	238.287	1.495	40	0		BDABMM
CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O	ZINC000005651565	384124479	/nfs/dbraw/zinc/12/44/79/384124479.db2.gz	WTYGAUXICFETTC-UHFFFAOYSA-N	-1	1	236.271	1.249	40	0	in-man	BDABMM
N[C@H](CC(=O)[O-])c1nc2ccccc2s1	ZINC000002586075	384172790	/nfs/dbraw/zinc/17/27/90/384172790.db2.gz	UFNDPITYHPRXGV-ZCFIWIBFSA-N	-1	1	222.269	1.771	40	0		BDABMM
COC(=O)c1ccc([O-])cc1Br	ZINC000096304686	384452891	/nfs/dbraw/zinc/45/28/91/384452891.db2.gz	FDMYWFGQALCJRU-UHFFFAOYSA-N	-1	1	231.045	1.941	40	0		BDABMM
CCN(CC)c1nc(C)c(C)c2c1C(=O)[N-]C2=O	ZINC000019526480	385271902	/nfs/dbraw/zinc/27/19/02/385271902.db2.gz	ADAPIRYWQOXQML-UHFFFAOYSA-N	-1	1	247.298	1.428	40	0		BDABMM
C[C@@H]1Cc2c(nc(-c3ccccc3)[n-]c2=O)O1	ZINC000016920409	385492456	/nfs/dbraw/zinc/49/24/56/385492456.db2.gz	ZQOWNKCTBASKPH-MRVPVSSYSA-N	-1	1	228.251	1.760	40	0		BDABMM
O=C([O-])c1ccccc1-c1n[nH]c(=S)[nH]c1=O	ZINC000033680007	387956049	/nfs/dbraw/zinc/95/60/49/387956049.db2.gz	LXHNSUNZVKHOSY-UHFFFAOYSA-N	-1	1	249.251	1.605	40	0		BDABMM
O=C1[N-]C(=O)[C@@H](Cc2cccc(O)c2)S1	ZINC000144529255	388119905	/nfs/dbraw/zinc/11/99/05/388119905.db2.gz	GRNUQBDCKXWQLQ-MRVPVSSYSA-N	-1	1	223.253	1.286	40	0		BDABMM
CCOC(=O)[C@H](N)c1ccc([O-])c(Cl)c1	ZINC000049822999	170276359	/nfs/dbraw/zinc/27/63/59/170276359.db2.gz	BZDYTLZSKRPSHV-SECBINFHSA-N	-1	1	229.663	1.609	40	0		BDABMM
CCc1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O	ZINC000002040321	342715068	/nfs/dbraw/zinc/71/50/68/342715068.db2.gz	WCCUCVYMWMWXAG-SECBINFHSA-N	-1	1	238.287	1.424	40	0		BDABMM
CCC[C@]1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005561305	342765876	/nfs/dbraw/zinc/76/58/76/342765876.db2.gz	UZTQDUKFRUBXCX-UHFFFAOYSA-N	-1	1	228.317	1.371	40	0		BDABMM
CCC[C@@]1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005561305	342765877	/nfs/dbraw/zinc/76/58/77/342765877.db2.gz	UZTQDUKFRUBXCX-UHFFFAOYSA-N	-1	1	228.317	1.371	40	0		BDABMM
CCc1c[n-]n2c1nc(SC)nc2=O	ZINC000306888046	529682608	/nfs/dbraw/zinc/68/26/08/529682608.db2.gz	VOISLPCWNIKHOB-UHFFFAOYSA-N	-1	1	210.262	1.114	40	0		BDABMM
CCCC[C@@H](CC)[C@H](O)[P@](=O)([O-])O	ZINC000031350042	343217702	/nfs/dbraw/zinc/21/77/02/343217702.db2.gz	GLYRBOZDGLTONH-HTQZYQBOSA-N	-1	1	210.210	1.699	40	0		BDABMM
Cc1ncc(C(=O)[O-])n1Cc1ccccc1	ZINC000001734308	180135106	/nfs/dbraw/zinc/13/51/06/180135106.db2.gz	YPWJRWYFJZODPI-UHFFFAOYSA-N	-1	1	216.240	1.938	40	0		BDABMM
[O-]C(O)(c1cccnc1Cl)C(F)(F)F	ZINC000199728129	188072990	/nfs/dbraw/zinc/07/29/90/188072990.db2.gz	VHJBOJUAPIXNMB-UHFFFAOYSA-N	-1	1	227.569	1.435	40	0		BDABMM
O=c1cc([O-])[nH]c2c(Br)cccc12	ZINC000164708392	372188358	/nfs/dbraw/zinc/18/83/58/372188358.db2.gz	YMZASLVENRUONX-UHFFFAOYSA-N	-1	1	240.056	1.996	40	0		BDABMM
O=C([O-])c1csc(Nc2ccncc2)n1	ZINC000114023183	384020048	/nfs/dbraw/zinc/02/00/48/384020048.db2.gz	GUGGCDNQNBWMNU-UHFFFAOYSA-N	-1	1	221.241	1.980	40	0		BDABMM
CC(=O)c1ccc([O-])c(C=C2CCOC2=O)c1	ZINC000012402962	384316203	/nfs/dbraw/zinc/31/62/03/384316203.db2.gz	ZJZBRSXUNGZMGF-YFHOEESVSA-N	-1	1	232.235	1.925	40	0		BDABMM
COC(=O)c1cc(=O)[n-]c(-c2ccccc2)n1	ZINC000005386624	385063407	/nfs/dbraw/zinc/06/34/07/385063407.db2.gz	WIJQQAJROMEWQM-UHFFFAOYSA-N	-1	1	230.223	1.636	40	0		BDABMM
CC(C)n1c(=O)[n-]c(Cl)c(Cl)c1=O	ZINC000096524092	385271496	/nfs/dbraw/zinc/27/14/96/385271496.db2.gz	MGLDJTXTRPUZPP-UHFFFAOYSA-N	-1	1	223.059	1.837	40	0		BDABMM
COc1cc(F)c([C@@H](N)C(=O)[O-])c(F)c1	ZINC000199809233	388654689	/nfs/dbraw/zinc/65/46/89/388654689.db2.gz	KSEVPTJSGOGAMU-MRVPVSSYSA-N	-1	1	217.171	1.058	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccc(F)cc2)n1	ZINC000085385601	170305334	/nfs/dbraw/zinc/30/53/34/170305334.db2.gz	HYUHVWWMBXKVKE-UHFFFAOYSA-N	-1	1	235.218	1.788	40	0		BDABMM
COCc1nc(C2CCCC2)cc(=O)[n-]1	ZINC000072209942	259315885	/nfs/dbraw/zinc/31/58/85/259315885.db2.gz	XKHOLWGUMHXERZ-UHFFFAOYSA-N	-1	1	208.261	1.574	40	0		BDABMM
CCCC1([C@@H](C)CC)C(=O)[N-]C(=O)NC1=O	ZINC000005523528	342765554	/nfs/dbraw/zinc/76/55/54/342765554.db2.gz	SAPMNMSQUSFOAU-ZETCQYMHSA-N	-1	1	226.276	1.185	40	0		BDABMM
C/C=C\CC1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000016926618	342917186	/nfs/dbraw/zinc/91/71/86/342917186.db2.gz	MRJSFBRUKFUDRO-HYXAFXHYSA-N	-1	1	224.260	1.105	40	0		BDABMM
O=C1[N-]C(=O)C(=CNCc2ccco2)S1	ZINC000584906263	343481259	/nfs/dbraw/zinc/48/12/59/343481259.db2.gz	MLEVGZULLQAVOL-ALCCZGGFSA-N	-1	1	224.241	1.194	40	0		BDABMM
O=C1[N-]C(=O)C(=CN2CCCCC2)S1	ZINC000142974358	343720529	/nfs/dbraw/zinc/72/05/29/343720529.db2.gz	NTIHBUKIAFVVKY-SREVYHEPSA-N	-1	1	212.274	1.297	40	0		BDABMM
[NH3+][C@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000008377546	344174682	/nfs/dbraw/zinc/17/46/82/344174682.db2.gz	FLZDFFKRJPLFGS-ZETCQYMHSA-N	-1	1	201.609	1.130	40	0	in-vivo	BDABMM
O=C([O-])[C@H]1CN[C@@H](c2ccccc2)S1	ZINC000000259863	345423148	/nfs/dbraw/zinc/42/31/48/345423148.db2.gz	QMLCPYVRJKOHQA-RKDXNWHRSA-N	-1	1	209.270	1.475	40	0		BDABMM
Cc1ccc2n[nH+]c(C(=O)[O-])c([O-])c2c1	ZINC000038951402	346729423	/nfs/dbraw/zinc/72/94/23/346729423.db2.gz	YGYZHVHLBVRBRW-UHFFFAOYSA-N	-1	1	204.185	1.342	40	0		BDABMM
Fc1ccccc1CNn1cn[n-]c1=S	ZINC000007601228	181013147	/nfs/dbraw/zinc/01/31/47/181013147.db2.gz	BXKWCGUFZXWPDP-UHFFFAOYSA-N	-1	1	224.264	1.823	40	0		BDABMM
NC(=O)C1=C([O-])c2cccc3c2[C@H]1CCCC3	ZINC000001701387	181279506	/nfs/dbraw/zinc/27/95/06/181279506.db2.gz	SVZOMOWNFWLDGE-BXKDBHETSA-N	-1	1	229.279	1.794	40	0		BDABMM
CCc1cnc(-c2cccnc2)[n-]c1=O	ZINC000096311245	371460799	/nfs/dbraw/zinc/46/07/99/371460799.db2.gz	QNZMABRIWQZQLH-UHFFFAOYSA-N	-1	1	201.229	1.394	40	0		BDABMM
CCc1cnc(-c2ccccn2)[n-]c1=O	ZINC000096311244	371461113	/nfs/dbraw/zinc/46/11/13/371461113.db2.gz	GETZUYBPSBAJFP-UHFFFAOYSA-N	-1	1	201.229	1.394	40	0		BDABMM
Nc1nc(-c2ccccc2)nc(=S)[n-]1	ZINC000006603972	181777343	/nfs/dbraw/zinc/77/73/43/181777343.db2.gz	MWYPEFQAQGAEPJ-UHFFFAOYSA-N	-1	1	204.258	1.783	40	0		BDABMM
O[C@H]([N-]c1ncccn1)C(Cl)(Cl)Cl	ZINC000001729091	183228968	/nfs/dbraw/zinc/22/89/68/183228968.db2.gz	KSQYNCJTIZWHFO-BYPYZUCNSA-N	-1	1	242.493	1.577	40	0		BDABMM
CCC/C=C(/C)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000001843770	383938560	/nfs/dbraw/zinc/93/85/60/383938560.db2.gz	GEIHFBCDLLEMSV-FPLPWBNLSA-N	-1	1	238.287	1.495	40	0		BDABMM
Cc1cnc(Nc2ccccc2)[n-]c1=O	ZINC000080721524	384174539	/nfs/dbraw/zinc/17/45/39/384174539.db2.gz	WOJOPLZWGVDQIC-UHFFFAOYSA-N	-1	1	201.229	1.822	40	0		BDABMM
CC(=C\c1ccccc1)/C=C1/NC(=S)[N-]C1=O	ZINC000100931117	384659751	/nfs/dbraw/zinc/65/97/51/384659751.db2.gz	OPQKJTOYYQZONP-BIZFVBGRSA-N	-1	1	244.319	1.978	40	0		BDABMM
CC1(C2=CCCCC2)C(=O)[N-]C(=S)NC1=O	ZINC000001656283	168015541	/nfs/dbraw/zinc/01/55/41/168015541.db2.gz	XTRFMRJDUPSQNN-UHFFFAOYSA-N	-1	1	238.312	1.024	40	0		BDABMM
CNC(=O)c1cc([O-])c(Br)c(O)c1	ZINC000002504541	173309740	/nfs/dbraw/zinc/30/97/40/173309740.db2.gz	QERSTEVWBUZWQF-UHFFFAOYSA-N	-1	1	246.060	1.220	40	0		BDABMM
COc1ccc([C@H]2N[N-]C(=S)S2)cc1	ZINC000000114487	175199075	/nfs/dbraw/zinc/19/90/75/175199075.db2.gz	AZJYHILTGXVMQQ-QMMMGPOBSA-N	-1	1	226.326	1.820	40	0		BDABMM
Cc1cc(=O)[nH]c2cc(O)c(C(=O)[O-])cc12	ZINC000008648304	178204080	/nfs/dbraw/zinc/20/40/80/178204080.db2.gz	CGZJPJDAISCPDE-UHFFFAOYSA-N	-1	1	219.196	1.653	40	0		BDABMM
CC(C)/C=C\C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000016921274	342917282	/nfs/dbraw/zinc/91/72/82/342917282.db2.gz	NQSWPBYIWLEEIE-WAYWQWQTSA-N	-1	1	238.287	1.207	40	0		BDABMM
CCC1([C@@H](C)C=C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000018202885	342934786	/nfs/dbraw/zinc/93/47/86/342934786.db2.gz	VELIJARCYHAWJO-QMMMGPOBSA-N	-1	1	238.287	1.351	40	0		BDABMM
CSc1nc2[n-]c(Cl)nc2c(=O)[nH]1	ZINC000018165067	342932650	/nfs/dbraw/zinc/93/26/50/342932650.db2.gz	WGZLACVHDVKXIT-UHFFFAOYSA-N	-1	1	216.653	1.022	40	0		BDABMM
Nc1ncc(Br)c(Cl)c1[O-]	ZINC000021981841	343031451	/nfs/dbraw/zinc/03/14/51/343031451.db2.gz	LRXQVHDBZFBDLF-UHFFFAOYSA-N	-1	1	223.457	1.785	40	0		BDABMM
Cc1ccccc1-c1cc(=O)n2nc[n-]c2n1	ZINC000101176291	179236052	/nfs/dbraw/zinc/23/60/52/179236052.db2.gz	KTPRBBHHEMVHKE-UHFFFAOYSA-N	-1	1	226.239	1.393	40	0		BDABMM
N[C@@H](CCC(=O)[O-])C(=O)c1c[nH]c2ccccc12	ZINC000016698039	362908852	/nfs/dbraw/zinc/90/88/52/362908852.db2.gz	WXPJMCPZYFQWGL-JTQLQIEISA-N	-1	1	246.266	1.543	40	0		BDABMM
CC(C)[C@@H]1c2ccccc2C([O-])=C1C(N)=O	ZINC000001700931	188334323	/nfs/dbraw/zinc/33/43/23/188334323.db2.gz	WZBUQAGZTHTMEN-GHMZBOCLSA-N	-1	1	217.268	1.724	40	0		BDABMM
O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2ccsc2)N1	ZINC000005067457	353554386	/nfs/dbraw/zinc/55/43/86/353554386.db2.gz	PINMDTPEPNPDGO-DTWKUNHWSA-N	-1	1	249.295	1.160	40	0		BDABMM
CC(C)(C)n1nnnc1-c1ccncc1[O-]	ZINC000685937950	538760828	/nfs/dbraw/zinc/76/08/28/538760828.db2.gz	CPQUIDCQLVPYQI-UHFFFAOYSA-N	-1	1	219.248	1.196	40	0		BDABMM
O=c1cc([O-])cc(Cc2ccccc2)o1	ZINC000149341335	182995843	/nfs/dbraw/zinc/99/58/43/182995843.db2.gz	LODZRQMPPSEWGP-UHFFFAOYSA-N	-1	1	202.209	1.936	40	0		BDABMM
CCCC[C@]1(C(C)C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001715230	169014997	/nfs/dbraw/zinc/01/49/97/169014997.db2.gz	CVOWXMXOIWCFMQ-LBPRGKRZSA-N	-1	1	240.303	1.527	40	0		BDABMM
CCCCc1cc(N)n(-c2nc(C)cc(=O)[n-]2)n1	ZINC000085398313	169018390	/nfs/dbraw/zinc/01/83/90/169018390.db2.gz	IRQFMHHVSQNNLA-UHFFFAOYSA-N	-1	1	247.302	1.601	40	0		BDABMM
O=C([O-])Cc1cc(Br)c(O)cc1F	ZINC000096882326	384481648	/nfs/dbraw/zinc/48/16/48/384481648.db2.gz	IEKJSKNHZOHEJM-UHFFFAOYSA-N	-1	1	249.035	1.921	40	0		BDABMM
CC(/C=C1/NC(=S)[N-]C1=O)=C/c1ccccc1	ZINC000100368417	384637631	/nfs/dbraw/zinc/63/76/31/384637631.db2.gz	OPQKJTOYYQZONP-BYSFRFKNSA-N	-1	1	244.319	1.978	40	0		BDABMM
O=C([O-])[C@@H]1CCN(Cc2cn3ccccc3n2)C1	ZINC000062134249	384718193	/nfs/dbraw/zinc/71/81/93/384718193.db2.gz	ISTSMLNWJZPTAL-SNVBAGLBSA-N	-1	1	245.282	1.241	40	0		BDABMM
CC(C)Cn1c(=O)[n-]c(Cl)c(Cl)c1=O	ZINC000096524094	385272559	/nfs/dbraw/zinc/27/25/59/385272559.db2.gz	ZSLDCONYJXXFHR-UHFFFAOYSA-N	-1	1	237.086	1.912	40	0		BDABMM
Nc1ccc(N2CCCCC2)cc1C(=O)[O-]	ZINC000058013998	132367712	/nfs/dbraw/zinc/36/77/12/132367712.db2.gz	DNABDRZWPKYYTH-UHFFFAOYSA-N	-1	1	220.272	1.957	40	0		BDABMM
CCOC(=O)c1nn(-c2ccccc2C)cc1[O-]	ZINC000049474305	170192122	/nfs/dbraw/zinc/19/21/22/170192122.db2.gz	FOEPAAWTFQFJMD-UHFFFAOYSA-N	-1	1	246.266	1.303	40	0		BDABMM
CCOC(=O)c1c([O-])cc(F)cc1F	ZINC000044200491	170288848	/nfs/dbraw/zinc/28/88/48/170288848.db2.gz	VTVPZRJVEJQVKC-UHFFFAOYSA-N	-1	1	202.156	1.847	40	0		BDABMM
CC[C@@]1(C)SC(C)(C)N[C@@H]1C(=O)[O-]	ZINC000001690114	171208897	/nfs/dbraw/zinc/20/88/97/171208897.db2.gz	GRVWFFDJJFDJJR-HZGVNTEJSA-N	-1	1	203.307	1.681	40	0		BDABMM
CC[C@H](C)[C@@H](Nc1ccc(N)cc1N)C(=O)[O-]	ZINC000071782956	171374255	/nfs/dbraw/zinc/37/42/55/171374255.db2.gz	JGIKEBHAJAQFNZ-WRWORJQWSA-N	-1	1	237.303	1.762	40	0		BDABMM
CSc1nc(C)c(NC(C)=O)c(=O)[n-]1	ZINC000017419177	175587659	/nfs/dbraw/zinc/58/76/59/175587659.db2.gz	XDJPAWHOKKQRSB-UHFFFAOYSA-N	-1	1	213.262	1.171	40	0		BDABMM
CC[C@@H](NN)c1cc(F)c([O-])c(F)c1	ZINC000199536128	522898764	/nfs/dbraw/zinc/89/87/64/522898764.db2.gz	GTOYJVSKQGDMDH-MRVPVSSYSA-N	-1	1	202.204	1.585	40	0		BDABMM
CCCC[C@@H](C)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000001715228	342710863	/nfs/dbraw/zinc/71/08/63/342710863.db2.gz	ACIMHKHXKIDXMW-MRVPVSSYSA-N	-1	1	240.303	1.575	40	0		BDABMM
C/C=C\[C@H](C)C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000005080866	342757810	/nfs/dbraw/zinc/75/78/10/342757810.db2.gz	PJSDNMFLJOJTPY-SLGIHZDVSA-N	-1	1	238.287	1.207	40	0		BDABMM
CCO[P@](=O)([O-])OC[C@H]1COC(C)(C)O1	ZINC000005463182	342764212	/nfs/dbraw/zinc/76/42/12/342764212.db2.gz	RALQPKBCONMLLZ-SSDOTTSWSA-N	-1	1	240.192	1.291	40	0		BDABMM
C/C=C(/C)C1(CCC)C(=O)[N-]C(=S)NC1=O	ZINC000016921322	342917267	/nfs/dbraw/zinc/91/72/67/342917267.db2.gz	MCVXYOWQRCYJEE-ALCCZGGFSA-N	-1	1	240.328	1.270	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1ccc(C)c(C)c1	ZINC000036055711	343307845	/nfs/dbraw/zinc/30/78/45/343307845.db2.gz	HRNILWJKWPNLSD-LBPRGKRZSA-N	-1	1	248.278	1.864	40	0		BDABMM
C/C=C/[C@H](C)C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001714810	188274142	/nfs/dbraw/zinc/27/41/42/188274142.db2.gz	PJSDNMFLJOJTPY-GJIOHYHPSA-N	-1	1	238.287	1.207	40	0		BDABMM
O=C1[N-]C(=O)C(=Cc2ccc(O)cc2O)S1	ZINC000003160614	188335830	/nfs/dbraw/zinc/33/58/30/188335830.db2.gz	CPVBTHMWQGHRIR-FPYGCLRLSA-N	-1	1	237.236	1.422	40	0		BDABMM
CC(=O)c1cc2ccc(=O)oc2cc1[O-]	ZINC000003848612	384031837	/nfs/dbraw/zinc/03/18/37/384031837.db2.gz	MYJIZBGGFRMXEM-UHFFFAOYSA-N	-1	1	204.181	1.701	40	0	in-vivo	BDABMM
CSC(=S)[N-]CCCCNC=S	ZINC000004293384	384053090	/nfs/dbraw/zinc/05/30/90/384053090.db2.gz	USEQKWJVDVCIRA-UHFFFAOYSA-N	-1	1	222.404	1.551	40	0		BDABMM
CCC[C@@H]1CC=CCC12C(=O)[N-]C(=O)NC2=O	ZINC000005014692	384094780	/nfs/dbraw/zinc/09/47/80/384094780.db2.gz	UAXHMOQIGLPVBS-MRVPVSSYSA-N	-1	1	236.271	1.105	40	0		BDABMM
CS[C@H](C)C[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000226718624	387951362	/nfs/dbraw/zinc/95/13/62/387951362.db2.gz	PUXMAVZQHKAIDA-QYNIQEEDSA-N	-1	1	221.347	1.244	40	0		BDABMM
Cc1nc(N(C)CC(=O)[O-])cc(-n2cccc2)n1	ZINC000217510744	388375688	/nfs/dbraw/zinc/37/56/88/388375688.db2.gz	VKEQMVLFESNFNX-UHFFFAOYSA-N	-1	1	246.270	1.097	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2cccc(N)c2)n1	ZINC000085385711	170305778	/nfs/dbraw/zinc/30/57/78/170305778.db2.gz	HOSCXFVRPNAASD-UHFFFAOYSA-N	-1	1	232.243	1.231	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2cccc(OC)c2)n1	ZINC000085385668	170306257	/nfs/dbraw/zinc/30/62/57/170306257.db2.gz	KDZQHRZDGPSARD-UHFFFAOYSA-N	-1	1	247.254	1.657	40	0		BDABMM
CN1COc2c(nc(-c3ccccc3)[n-]c2=O)C1	ZINC000017380858	173180402	/nfs/dbraw/zinc/18/04/02/173180402.db2.gz	FRIZZTAZAYPNBB-UHFFFAOYSA-N	-1	1	243.266	1.219	40	0		BDABMM
Fc1ccccc1OCc1n[n-]c(=S)[nH]1	ZINC000408551826	136207656	/nfs/dbraw/zinc/20/76/56/136207656.db2.gz	JCZSHIWCNHYBDF-UHFFFAOYSA-N	-1	1	225.248	1.812	40	0		BDABMM
CC[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000028210236	136222333	/nfs/dbraw/zinc/22/23/33/136222333.db2.gz	OPVBVYATHMYOTK-MRVPVSSYSA-N	-1	1	245.282	1.864	40	0		BDABMM
O=S(=O)([O-])c1cnccc1N1CCCCC1	ZINC000072210683	259317681	/nfs/dbraw/zinc/31/76/81/259317681.db2.gz	UPMGKEOZTAAPCJ-UHFFFAOYSA-N	-1	1	242.300	1.319	40	0		BDABMM
C/C=C/[C@@H](C)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000001714772	342710595	/nfs/dbraw/zinc/71/05/95/342710595.db2.gz	BSECGQHCZYTZFU-PTYLAXBQSA-N	-1	1	240.328	1.126	40	0		BDABMM
C/C=C(\C)[C@@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001714542	342710662	/nfs/dbraw/zinc/71/06/62/342710662.db2.gz	NCVHDTCOFYKMMM-ZRQQLDRUSA-N	-1	1	224.260	1.057	40	0		BDABMM
CCCC[C@@]1(C(C)C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001715231	342710833	/nfs/dbraw/zinc/71/08/33/342710833.db2.gz	CVOWXMXOIWCFMQ-GFCCVEGCSA-N	-1	1	240.303	1.527	40	0		BDABMM
O=C([O-])[C@@H]1CCCCN1Cc1ccco1	ZINC000004384252	342747536	/nfs/dbraw/zinc/74/75/36/342747536.db2.gz	MTRBYKGQHMJTHX-JTQLQIEISA-N	-1	1	209.245	1.719	40	0		BDABMM
Nc1nc2nc(Cl)[n-]c2c(Cl)n1	ZINC000004429738	342748012	/nfs/dbraw/zinc/74/80/12/342748012.db2.gz	TVRLITZXKLOOBY-UHFFFAOYSA-N	-1	1	204.020	1.242	40	0		BDABMM
O=C1[N-]C(=O)[C@@H](Cc2cccc(F)c2)S1	ZINC000218823233	398328603	/nfs/dbraw/zinc/32/86/03/398328603.db2.gz	MORFHAZZHYKTTG-MRVPVSSYSA-N	-1	1	225.244	1.720	40	0		BDABMM
O=c1cc(-c2ccccc2)nc(SCCO)[n-]1	ZINC000004939580	346255159	/nfs/dbraw/zinc/25/51/59/346255159.db2.gz	BSVBJUPMUCKDJG-UHFFFAOYSA-N	-1	1	248.307	1.521	40	0		BDABMM
O=c1c(Cl)c([O-])cnn1[C@H]1CCCCO1	ZINC000034511055	353098580	/nfs/dbraw/zinc/09/85/80/353098580.db2.gz	XZBUPOMTNWZPKD-SSDOTTSWSA-N	-1	1	230.651	1.301	40	0		BDABMM
O=C([O-])c1[nH]nc(OCC2CC2)c1Cl	ZINC000096510765	188321524	/nfs/dbraw/zinc/32/15/24/188321524.db2.gz	CELFLUJBXFYNQN-UHFFFAOYSA-N	-1	1	216.624	1.550	40	0		BDABMM
O=C([O-])[C@@H](CN1CCOCC1)c1ccccc1	ZINC000041265484	358753209	/nfs/dbraw/zinc/75/32/09/358753209.db2.gz	BKDMEABBPCDADM-LBPRGKRZSA-N	-1	1	235.283	1.187	40	0		BDABMM
O=c1cc(C2CCCCC2)nc(CO)[n-]1	ZINC000072207445	182993509	/nfs/dbraw/zinc/99/35/09/182993509.db2.gz	BYUCOCIRPVYKNC-UHFFFAOYSA-N	-1	1	208.261	1.310	40	0		BDABMM
O=C([O-])c1ccc(Cc2nc[nH]n2)cc1	ZINC000088613655	383918722	/nfs/dbraw/zinc/91/87/22/383918722.db2.gz	CJPLKYWVQYAMEK-UHFFFAOYSA-N	-1	1	203.201	1.094	40	0		BDABMM
Cc1nc(CCC(=O)[O-])cc([C@@H]2CCC[N@@H+]2C)n1	ZINC000072363400	383920725	/nfs/dbraw/zinc/92/07/25/383920725.db2.gz	FERHMTGEXUYITK-LBPRGKRZSA-N	-1	1	249.314	1.569	40	0		BDABMM
Cc1nc(CCC(=O)[O-])cc([C@@H]2CCCN2C)n1	ZINC000072363400	383920726	/nfs/dbraw/zinc/92/07/26/383920726.db2.gz	FERHMTGEXUYITK-LBPRGKRZSA-N	-1	1	249.314	1.569	40	0		BDABMM
COC(=O)c1ccc2oc(=O)cc(C)c2c1[O-]	ZINC000104143192	384801761	/nfs/dbraw/zinc/80/17/61/384801761.db2.gz	XMYXJXJVTFASAZ-UHFFFAOYSA-N	-1	1	234.207	1.594	40	0		BDABMM
CCOCCOc1n[nH]c(C(=O)[O-])c1Cl	ZINC000096510767	385246361	/nfs/dbraw/zinc/24/63/61/385246361.db2.gz	XDYKZXSPIYGPKI-UHFFFAOYSA-N	-1	1	234.639	1.177	40	0		BDABMM
O=C([O-])[C@@H]1CC2=NC=N[C@@H]2[C@@H](c2ccccc2)N1	ZINC000521396129	386723587	/nfs/dbraw/zinc/72/35/87/386723587.db2.gz	BXKUCCOZRLNGHB-TUAOUCFPSA-N	-1	1	243.266	1.026	40	0		BDABMM
O=C1[N-]C(=O)[C@H]2CCCc3cccc1c32	ZINC000001572140	397769656	/nfs/dbraw/zinc/76/96/56/397769656.db2.gz	RSBGHQYWTSSOHB-VIFPVBQESA-N	-1	1	201.225	1.377	40	0		BDABMM
CCN1CCOc2ccc(C(=O)[O-])cc2C1	ZINC000096517143	170006881	/nfs/dbraw/zinc/00/68/81/170006881.db2.gz	XWHQNNMPKUJYFL-UHFFFAOYSA-N	-1	1	221.256	1.599	40	0		BDABMM
CCOC(=O)Cc1cc([O-])cc(O)c1C(C)=O	ZINC000005855988	170235071	/nfs/dbraw/zinc/23/50/71/170235071.db2.gz	TURXCFUGBPBPRS-UHFFFAOYSA-N	-1	1	238.239	1.406	40	0	biogenic,in-vitro	BDABMM
CCOC(=O)c1nc(COc2ccccc2)n[n-]1	ZINC000085385624	170307115	/nfs/dbraw/zinc/30/71/15/170307115.db2.gz	LTBGUMASYAKZFG-UHFFFAOYSA-N	-1	1	247.254	1.560	40	0		BDABMM
CCOC(=O)c1n[n-]c(COc2ccccc2)n1	ZINC000085385624	170307118	/nfs/dbraw/zinc/30/71/18/170307118.db2.gz	LTBGUMASYAKZFG-UHFFFAOYSA-N	-1	1	247.254	1.560	40	0		BDABMM
CCOCC(=O)c1c(O)cc([O-])cc1O	ZINC000001748778	170349916	/nfs/dbraw/zinc/34/99/16/170349916.db2.gz	JMMNMLCLTGRBTD-UHFFFAOYSA-N	-1	1	212.201	1.023	40	0		BDABMM
COc1ccc(CNn2cn[n-]c2=S)cc1	ZINC000008474784	175113700	/nfs/dbraw/zinc/11/37/00/175113700.db2.gz	DAJIHHBNYLCTJY-UHFFFAOYSA-N	-1	1	236.300	1.693	40	0		BDABMM
C[C@H]1Cc2c(nc(-c3ccccc3)[n-]c2=O)O1	ZINC000016920413	177387986	/nfs/dbraw/zinc/38/79/86/177387986.db2.gz	ZQOWNKCTBASKPH-QMMMGPOBSA-N	-1	1	228.251	1.760	40	0		BDABMM
COCc1nc(CC(C)(C)C)cc(=O)[n-]1	ZINC000072209940	259315901	/nfs/dbraw/zinc/31/59/01/259315901.db2.gz	MHHIQVIZTNLMLO-UHFFFAOYSA-N	-1	1	210.277	1.505	40	0		BDABMM
C/C=C/C1(CCCC)C(=O)[N-]C(=O)NC1=O	ZINC000001710384	342710410	/nfs/dbraw/zinc/71/04/10/342710410.db2.gz	WAMWJEORSQYEQD-GQCTYLIASA-N	-1	1	224.260	1.105	40	0		BDABMM
Cc1nc2nc(Cl)nc-2c(Cl)[n-]1	ZINC000004429568	342748123	/nfs/dbraw/zinc/74/81/23/342748123.db2.gz	QZIGSPMPDANGLL-UHFFFAOYSA-N	-1	1	203.032	1.968	40	0		BDABMM
Cc1nc2nc(Cl)[n-]c2c(Cl)n1	ZINC000004429568	342748124	/nfs/dbraw/zinc/74/81/24/342748124.db2.gz	QZIGSPMPDANGLL-UHFFFAOYSA-N	-1	1	203.032	1.968	40	0		BDABMM
Cc1nc2[n-]c(Cl)nc2c(Cl)n1	ZINC000004429568	342748125	/nfs/dbraw/zinc/74/81/25/342748125.db2.gz	QZIGSPMPDANGLL-UHFFFAOYSA-N	-1	1	203.032	1.968	40	0		BDABMM
C/C=C\[C@@H](C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000016927143	342917121	/nfs/dbraw/zinc/91/71/21/342917121.db2.gz	FKUZMHMHFFKCDT-RZAAKKIOSA-N	-1	1	238.287	1.351	40	0		BDABMM
CS[C@@H](C)C[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000035572314	343298546	/nfs/dbraw/zinc/29/85/46/343298546.db2.gz	PUXMAVZQHKAIDA-LYFYHCNISA-N	-1	1	221.347	1.244	40	0		BDABMM
CCCc1n[nH]c(S[C@H](C)C(=O)[O-])n1	ZINC000020395874	347442995	/nfs/dbraw/zinc/44/29/95/347442995.db2.gz	WHBVDAISKHMJRB-RXMQYKEDSA-N	-1	1	215.278	1.322	40	0		BDABMM
CCCc1nnc(S[C@H](C)C(=O)[O-])[nH]1	ZINC000020395874	347442998	/nfs/dbraw/zinc/44/29/98/347442998.db2.gz	WHBVDAISKHMJRB-RXMQYKEDSA-N	-1	1	215.278	1.322	40	0		BDABMM
Cc1ccccc1CNn1cn[n-]c1=S	ZINC000007601230	179285315	/nfs/dbraw/zinc/28/53/15/179285315.db2.gz	TVNADHGVDADLNT-UHFFFAOYSA-N	-1	1	220.301	1.993	40	0		BDABMM
CCCSc1nc(O)c(CC)c(=O)[n-]1	ZINC000019597163	169341777	/nfs/dbraw/zinc/34/17/77/169341777.db2.gz	QGVXTRWIZCIGDO-UHFFFAOYSA-N	-1	1	214.290	1.540	40	0		BDABMM
CCCc1nc(S[C@@H](CC)C(=O)[O-])n[nH]1	ZINC000076566183	384058788	/nfs/dbraw/zinc/05/87/88/384058788.db2.gz	RFIJBZDFILAMCJ-LURJTMIESA-N	-1	1	229.305	1.713	40	0		BDABMM
CCCc1nnc(S[C@@H](CC)C(=O)[O-])[nH]1	ZINC000076566183	384058794	/nfs/dbraw/zinc/05/87/94/384058794.db2.gz	RFIJBZDFILAMCJ-LURJTMIESA-N	-1	1	229.305	1.713	40	0		BDABMM
COP(=O)([N-]C(=O)Nc1cc(C)on1)OC	ZINC000082087385	384218338	/nfs/dbraw/zinc/21/83/38/384218338.db2.gz	ZVYVSTFRTXBFBZ-UHFFFAOYSA-N	-1	1	249.163	1.505	40	0		BDABMM
COP(=O)(N=C([O-])Nc1cc(C)on1)OC	ZINC000082087385	384218345	/nfs/dbraw/zinc/21/83/45/384218345.db2.gz	ZVYVSTFRTXBFBZ-UHFFFAOYSA-N	-1	1	249.163	1.505	40	0		BDABMM
O=C([O-])c1cc(=O)n(-c2ccccc2Cl)[nH]1	ZINC000033606245	384315787	/nfs/dbraw/zinc/31/57/87/384315787.db2.gz	VEFKEOWSPIJFQI-UHFFFAOYSA-N	-1	1	238.630	1.930	40	0		BDABMM
O=C1[N-]C(=O)C(=CNc2ccccc2)S1	ZINC000101279311	384397004	/nfs/dbraw/zinc/39/70/04/384397004.db2.gz	CEZWVMCUXRRKRU-VURMDHGXSA-N	-1	1	220.253	1.923	40	0		BDABMM
C/C=C(/C)C1(CCCC)C(=O)[N-]C(=O)NC1=O	ZINC000016921278	384473393	/nfs/dbraw/zinc/47/33/93/384473393.db2.gz	HCIVICGGJAIDCU-YVMONPNESA-N	-1	1	238.287	1.495	40	0		BDABMM
Cc1ccc(OCc2nc(N)cc(=O)[n-]2)cc1	ZINC000049468784	384535755	/nfs/dbraw/zinc/53/57/55/384535755.db2.gz	GMRAJJSASBFLDV-UHFFFAOYSA-N	-1	1	231.255	1.240	40	0		BDABMM
COc1cc(=O)[n-]c(SCC(C)C)n1	ZINC000059417357	386479538	/nfs/dbraw/zinc/47/95/38/386479538.db2.gz	YJCJONXXLXFMGE-UHFFFAOYSA-N	-1	1	214.290	1.527	40	0		BDABMM
O=C([O-])c1cnc(CN2CCCCCC2)nc1	ZINC000217343422	387795913	/nfs/dbraw/zinc/79/59/13/387795913.db2.gz	GRQBVZPBLOYNOQ-UHFFFAOYSA-N	-1	1	235.287	1.551	40	0		BDABMM
CSC(=S)[N-]CCNC(=S)SC	ZINC000004293383	388398526	/nfs/dbraw/zinc/39/85/26/388398526.db2.gz	KUUUDIJBRGBBNC-UHFFFAOYSA-N	-1	1	240.444	1.461	40	0		BDABMM
O=C([O-])Cc1n[nH]c(Cc2ccccc2)n1	ZINC000020442178	397964912	/nfs/dbraw/zinc/96/49/12/397964912.db2.gz	UGZFNTSAGLRUGP-UHFFFAOYSA-N	-1	1	217.228	1.023	40	0		BDABMM
CC1=C(C)CC2(C(=O)[N-]C(=O)NC2=O)[C@@H](C)C1	ZINC000001707351	168080337	/nfs/dbraw/zinc/08/03/37/168080337.db2.gz	DXHXNVHIVCXSOO-QMMMGPOBSA-N	-1	1	236.271	1.105	40	0		BDABMM
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1CC(=O)[O-]	ZINC000020153765	168133688	/nfs/dbraw/zinc/13/36/88/168133688.db2.gz	OHCQARRYISJLGE-LLVKDONJSA-N	-1	1	246.266	1.808	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2cccc(F)c2)n1	ZINC000085385917	170306207	/nfs/dbraw/zinc/30/62/07/170306207.db2.gz	BUNRCSCFFHWRQW-UHFFFAOYSA-N	-1	1	235.218	1.788	40	0		BDABMM
C[C@@H](c1ccccc1)N1CC[C@H]1C(=O)[O-]	ZINC000022015401	176022349	/nfs/dbraw/zinc/02/23/49/176022349.db2.gz	OASYHJXSVVGJIA-ONGXEEELSA-N	-1	1	205.257	1.907	40	0		BDABMM
CC[C@@H](C)[C@H](Nc1ccc(N)cc1N)C(=O)[O-]	ZINC000071782953	398160914	/nfs/dbraw/zinc/16/09/14/398160914.db2.gz	JGIKEBHAJAQFNZ-HQJQHLMTSA-N	-1	1	237.303	1.762	40	0		BDABMM
Cc1cc2[nH]cc(C(=O)[O-])c(=O)c2cc1C	ZINC000008728919	178276432	/nfs/dbraw/zinc/27/64/32/178276432.db2.gz	HGVMKCFQPWFEJM-UHFFFAOYSA-N	-1	1	217.224	1.843	40	0		BDABMM
Cc1ccc(-c2nc(N)cc(=O)[n-]2)cc1C	ZINC000049468756	178336085	/nfs/dbraw/zinc/33/60/85/178336085.db2.gz	GTBJHZMRMKWTRF-UHFFFAOYSA-N	-1	1	215.256	1.636	40	0		BDABMM
C/C=C\CC1(C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005080619	342757655	/nfs/dbraw/zinc/75/76/55/342757655.db2.gz	SRABXPYYLYHQEQ-PLNGDYQASA-N	-1	1	240.328	1.126	40	0		BDABMM
CN(C)c1ccc2c(c1)[nH]cc(C(=O)[O-])c2=O	ZINC000005374371	342762758	/nfs/dbraw/zinc/76/27/58/342762758.db2.gz	UYNVFMKDZZRMFT-UHFFFAOYSA-N	-1	1	232.239	1.705	40	0		BDABMM
CC(C)n1c2[nH]c(=O)[n-]c(=O)c2[nH]c1=S	ZINC000005733821	342769025	/nfs/dbraw/zinc/76/90/25/342769025.db2.gz	UEAPTZVVAQLIDZ-UHFFFAOYSA-N	-1	1	226.261	1.481	40	0		BDABMM
Cc1ccc([O-])c(C(=O)c2cn[nH]c2)c1	ZINC000032501327	343236608	/nfs/dbraw/zinc/23/66/08/343236608.db2.gz	HNRKGBNITJJCHY-UHFFFAOYSA-N	-1	1	202.213	1.655	40	0		BDABMM
CC(C)(C)C[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000035572349	343298476	/nfs/dbraw/zinc/29/84/76/343298476.db2.gz	WBGSEGFGHVFBQZ-BQBZGAKWSA-N	-1	1	203.307	1.538	40	0		BDABMM
CC(C)(C)C[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000035572353	343298572	/nfs/dbraw/zinc/29/85/72/343298572.db2.gz	WBGSEGFGHVFBQZ-RQJHMYQMSA-N	-1	1	203.307	1.538	40	0		BDABMM
COc1cc(Cl)cc([C@@H](N)C(=O)[O-])c1OC	ZINC000039927940	343393388	/nfs/dbraw/zinc/39/33/88/343393388.db2.gz	YINFIVFLCLMNDX-MRVPVSSYSA-N	-1	1	245.662	1.442	40	0		BDABMM
Nc1cc(=O)[n-]c(-c2ccccc2F)n1	ZINC000049468760	343599019	/nfs/dbraw/zinc/59/90/19/343599019.db2.gz	ICMNLJDQYYQLGP-UHFFFAOYSA-N	-1	1	205.192	1.158	40	0		BDABMM
CCC/C=C(\C)C1(C)C(=O)[N-]C(=O)NC1=O	ZINC000001710380	346080603	/nfs/dbraw/zinc/08/06/03/346080603.db2.gz	HSRAZMPLBVHJNH-VOTSOKGWSA-N	-1	1	224.260	1.105	40	0		BDABMM
Cn1cccc1CNn1cn[n-]c1=S	ZINC000007602001	346664050	/nfs/dbraw/zinc/66/40/50/346664050.db2.gz	BRPRPQDOJFBTIO-UHFFFAOYSA-N	-1	1	209.278	1.023	40	0		BDABMM
C/C=C(\C)[C@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001714540	188274037	/nfs/dbraw/zinc/27/40/37/188274037.db2.gz	NCVHDTCOFYKMMM-OKPNEXGHSA-N	-1	1	224.260	1.057	40	0		BDABMM
O=S(=O)([O-])c1cccc2c3[nH]nnc3ccc21	ZINC000031494230	356483365	/nfs/dbraw/zinc/48/33/65/356483365.db2.gz	RTMRNNXPVGAAJD-UHFFFAOYSA-N	-1	1	249.251	1.358	40	0		BDABMM
CC(C)n1nnnc1-c1ccncc1[O-]	ZINC000685938467	538766807	/nfs/dbraw/zinc/76/68/07/538766807.db2.gz	UBBKMVYUJWSFAT-UHFFFAOYSA-N	-1	1	205.221	1.022	40	0		BDABMM
COC(=O)Cc1coc2c1cccc2[O-]	ZINC000036373011	357331084	/nfs/dbraw/zinc/33/10/84/357331084.db2.gz	MOIRPSOAHDOAIA-UHFFFAOYSA-N	-1	1	206.197	1.854	40	0		BDABMM
CC(C)c1cnc(-c2cccnc2)[n-]c1=O	ZINC000096311251	371460943	/nfs/dbraw/zinc/46/09/43/371460943.db2.gz	RMUBHOXPFJYAPK-UHFFFAOYSA-N	-1	1	215.256	1.955	40	0		BDABMM
O=C1[N-]C(=O)[C@H](Cc2ccc(F)cc2)S1	ZINC000022059407	182793481	/nfs/dbraw/zinc/79/34/81/182793481.db2.gz	KXGHAWOYZKFFPG-QMMMGPOBSA-N	-1	1	225.244	1.720	40	0	in-vitro	BDABMM
CS(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1	ZINC000006621720	384161142	/nfs/dbraw/zinc/16/11/42/384161142.db2.gz	LDOFBKPIOHVZOI-UHFFFAOYSA-N	-1	1	237.284	1.448	40	0		BDABMM
CC/C=C(\C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000018209933	384504338	/nfs/dbraw/zinc/50/43/38/384504338.db2.gz	XVDVHWJHDXRAST-SOFGYWHQSA-N	-1	1	238.287	1.495	40	0		BDABMM
CC(C)(C)OC(=O)Cn1[n-]c(=O)c2ccccc21	ZINC000199830474	384562618	/nfs/dbraw/zinc/56/26/18/384562618.db2.gz	WKNXOYRJEMQQCF-UHFFFAOYSA-N	-1	1	248.282	1.671	40	0		BDABMM
CCC1(CCC(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005651586	385046084	/nfs/dbraw/zinc/04/60/84/385046084.db2.gz	NGXZRVUMBBHGBE-UHFFFAOYSA-N	-1	1	242.344	1.350	40	0		BDABMM
CCN(CC)c1cc(C(=O)[O-])cc(C)n1	ZINC000002524989	388579358	/nfs/dbraw/zinc/57/93/58/388579358.db2.gz	DFRFWYRUJSTHKY-UHFFFAOYSA-N	-1	1	208.261	1.934	40	0		BDABMM
CCOC(=O)C(=C(C)[O-])c1cc(Cl)ncn1	ZINC000225828700	170264067	/nfs/dbraw/zinc/26/40/67/170264067.db2.gz	APXFHMKPTCODAC-SECBINFHSA-N	-1	1	242.662	1.366	40	0		BDABMM
CC[C@@]1(/C=C\C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005599171	171195050	/nfs/dbraw/zinc/19/50/50/171195050.db2.gz	CAKSIGQXKKAMBQ-WAYWQWQTSA-N	-1	1	240.328	1.537	40	0		BDABMM
CC[C@]1(/C=C\C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005599171	171195055	/nfs/dbraw/zinc/19/50/55/171195055.db2.gz	CAKSIGQXKKAMBQ-WAYWQWQTSA-N	-1	1	240.328	1.537	40	0		BDABMM
CC[C@@]1(C)SC(C)(C)N[C@H]1C(=O)[O-]	ZINC000001690116	171209346	/nfs/dbraw/zinc/20/93/46/171209346.db2.gz	GRVWFFDJJFDJJR-IMTBSYHQSA-N	-1	1	203.307	1.681	40	0		BDABMM
CCc1n[n-]c(=S)n1NCc1ccco1	ZINC000008339440	171935375	/nfs/dbraw/zinc/93/53/75/171935375.db2.gz	QRVWLHXOTKTIGG-UHFFFAOYSA-N	-1	1	224.289	1.840	40	0		BDABMM
CN1CCN(Cc2cc(F)ccc2[S-])CC1	ZINC000095738814	173088082	/nfs/dbraw/zinc/08/80/82/173088082.db2.gz	JPMVQTQPIOQNER-UHFFFAOYSA-N	-1	1	240.347	1.862	40	0		BDABMM
C[C@H](c1ccccc1)N1CC[C@@H]1C(=O)[O-]	ZINC000066055315	177039990	/nfs/dbraw/zinc/03/99/90/177039990.db2.gz	OASYHJXSVVGJIA-MWLCHTKSSA-N	-1	1	205.257	1.907	40	0		BDABMM
O=Cc1ccc(C(=O)C(F)(F)F)cc1[O-]	ZINC001504244862	963643199	/nfs/dbraw/zinc/64/31/99/963643199.db2.gz	KIXQWKSNLDKCFV-UHFFFAOYSA-N	-1	1	218.130	1.950	40	0		BDABMM
CC(C)Cc1c([O-])nc2ccccn2c1=O	ZINC000012651574	136216448	/nfs/dbraw/zinc/21/64/48/136216448.db2.gz	PUOCPGXCZQMDBY-UHFFFAOYSA-N	-1	1	218.256	1.599	40	0		BDABMM
Cc1cc2nc3c(=O)[n-][nH]cc-3c2s1	ZINC000015932409	178276099	/nfs/dbraw/zinc/27/60/99/178276099.db2.gz	KKAGMEDPLGPWRL-UHFFFAOYSA-N	-1	1	205.242	1.774	40	0		BDABMM
CCCNc1ccncc1S(=O)(=O)[O-]	ZINC000072210678	259317598	/nfs/dbraw/zinc/31/75/98/259317598.db2.gz	ULBYHRQTBCGYAW-UHFFFAOYSA-N	-1	1	216.262	1.150	40	0		BDABMM
CCCC1(C[C@@H](C)CC)C(=O)[N-]C(=O)NC1=O	ZINC000001710348	342710417	/nfs/dbraw/zinc/71/04/17/342710417.db2.gz	IHGCUUHZJSCJGN-QMMMGPOBSA-N	-1	1	240.303	1.575	40	0		BDABMM
CCCC/C=C(\C)C1(C)C(=O)[N-]C(=O)NC1=O	ZINC000001714816	342710757	/nfs/dbraw/zinc/71/07/57/342710757.db2.gz	COHXZXCRMADMTH-BQYQJAHWSA-N	-1	1	238.287	1.495	40	0		BDABMM
CCCC[C@H](C)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000001715232	342710938	/nfs/dbraw/zinc/71/09/38/342710938.db2.gz	ACIMHKHXKIDXMW-QMMMGPOBSA-N	-1	1	240.303	1.575	40	0		BDABMM
CC(C)C[C@H](NC(=O)C(F)(F)F)C(=O)[O-]	ZINC000005454194	342764284	/nfs/dbraw/zinc/76/42/84/342764284.db2.gz	NTPXJGMMHSVWMF-YFKPBYRVSA-N	-1	1	227.182	1.164	40	0		BDABMM
O=C([O-])[C@H]1CS[C@@H]([C@H]2CC=CCC2)N1	ZINC000013424304	346948863	/nfs/dbraw/zinc/94/88/63/346948863.db2.gz	KORGWTQUZHJROE-YIZRAAEISA-N	-1	1	213.302	1.458	40	0		BDABMM
CC(C)Cn1ncc(=O)c(Cl)c1[O-]	ZINC000118645112	344811296	/nfs/dbraw/zinc/81/12/96/344811296.db2.gz	HKHRRXALFFAIQG-UHFFFAOYSA-N	-1	1	202.641	1.258	40	0		BDABMM
CC(C)Cn1ncc([O-])c(Cl)c1=O	ZINC000118645112	344811299	/nfs/dbraw/zinc/81/12/99/344811299.db2.gz	HKHRRXALFFAIQG-UHFFFAOYSA-N	-1	1	202.641	1.258	40	0		BDABMM
O=C([O-])[C@@H]1CN[C@@H](c2ccccc2)S1	ZINC000000259855	345423371	/nfs/dbraw/zinc/42/33/71/345423371.db2.gz	QMLCPYVRJKOHQA-DTWKUNHWSA-N	-1	1	209.270	1.475	40	0		BDABMM
Cc1ccccc1-c1n[nH]c(SCC(=O)[O-])n1	ZINC000020195659	179237237	/nfs/dbraw/zinc/23/72/37/179237237.db2.gz	GMNMUZDKFWZKDE-UHFFFAOYSA-N	-1	1	249.295	1.957	40	0		BDABMM
CCCc1cc(=O)[n-]c(-c2cnccn2)n1	ZINC000037415581	348427811	/nfs/dbraw/zinc/42/78/11/348427811.db2.gz	ZYUDUTCEQFIDOI-UHFFFAOYSA-N	-1	1	216.244	1.179	40	0		BDABMM
C[C@H]1C[C@H]1c1ccc(/C=C2\NC(=S)[N-]C2=O)o1	ZINC000008117597	350127081	/nfs/dbraw/zinc/12/70/81/350127081.db2.gz	JVNZIWJHDVMTDO-UGTVUZRJSA-N	-1	1	248.307	1.748	40	0		BDABMM
Cc1nc2ccc(NC(=O)CCC(=O)[O-])cc2[nH]1	ZINC000037796227	180082561	/nfs/dbraw/zinc/08/25/61/180082561.db2.gz	QFOYCEOXGOWCRY-UHFFFAOYSA-N	-1	1	247.254	1.675	40	0		BDABMM
CC(C)(C)OC(=O)C=C([O-])C(F)(F)F	ZINC000138412785	191110283	/nfs/dbraw/zinc/11/02/83/191110283.db2.gz	DRDDHIGPIFREMI-UHFFFAOYSA-N	-1	1	212.167	1.850	40	0		BDABMM
O=C1[N-]C(=S)NC1=Cc1ccc2c(c1)CCC2	ZINC000001709576	188274431	/nfs/dbraw/zinc/27/44/31/188274431.db2.gz	DVTCGGHZUJTRKN-XFFZJAGNSA-N	-1	1	244.319	1.521	40	0		BDABMM
CC(C)Cn1cc(-c2nccc(=O)[n-]2)cn1	ZINC000072226212	188288545	/nfs/dbraw/zinc/28/85/45/188288545.db2.gz	PVYLITAHDVWWHR-UHFFFAOYSA-N	-1	1	218.260	1.289	40	0		BDABMM
[O-]c1cnccc1-c1nnnn1CC(F)(F)F	ZINC000685937911	538760989	/nfs/dbraw/zinc/76/09/89/538760989.db2.gz	AMGIUGQTIADGJY-UHFFFAOYSA-N	-1	1	245.164	1.003	40	0		BDABMM
COc1ccccc1Oc1cnc[n-]c1=O	ZINC000685936175	538757492	/nfs/dbraw/zinc/75/74/92/538757492.db2.gz	IURVOERCSHBDQO-UHFFFAOYSA-N	-1	1	218.212	1.983	40	0		BDABMM
CC(=O)Nc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000014981986	219812737	/nfs/dbraw/zinc/81/27/37/219812737.db2.gz	PYPFWHLLDHWKQH-UHFFFAOYSA-N	-1	1	229.239	1.808	40	0		BDABMM
O=C([O-])C1CN(Cc2ccccc2F)C1	ZINC000070569578	182429511	/nfs/dbraw/zinc/42/95/11/182429511.db2.gz	JTTUTTJHLWTABB-UHFFFAOYSA-N	-1	1	209.220	1.342	40	0		BDABMM
OCc1n[n-]c(=S)n1-c1cccc(F)c1	ZINC000096530438	183171297	/nfs/dbraw/zinc/17/12/97/183171297.db2.gz	BVBPOJCRBZVGDK-UHFFFAOYSA-N	-1	1	225.248	1.187	40	0		BDABMM
Cc1nn(C)c(C)c1C([O-])=C1C(=O)CCCC1=O	ZINC000103619359	384367092	/nfs/dbraw/zinc/36/70/92/384367092.db2.gz	NSENTWIRLGLMMT-UHFFFAOYSA-N	-1	1	248.282	1.158	40	0		BDABMM
Cc1cc(=O)[n-]c(COc2ccccc2N)n1	ZINC000078400847	384441902	/nfs/dbraw/zinc/44/19/02/384441902.db2.gz	YROYZHXZZJDEPQ-UHFFFAOYSA-N	-1	1	231.255	1.240	40	0		BDABMM
CCc1ccc2c(c1)C(O)=C1C[C@]1(C(=O)[O-])O2	ZINC000085392630	385159139	/nfs/dbraw/zinc/15/91/39/385159139.db2.gz	LZRIKWBDKHKVBI-ZANVPECISA-N	-1	1	232.235	1.667	40	0		BDABMM
Cc1ccccc1-c1nnc(CC(=O)[O-])[nH]1	ZINC000026440594	385704615	/nfs/dbraw/zinc/70/46/15/385704615.db2.gz	VEHIQZPAUOMJDF-UHFFFAOYSA-N	-1	1	217.228	1.407	40	0		BDABMM
Cc1ccccc1-c1nc(CC(=O)[O-])n[nH]1	ZINC000026440594	385704617	/nfs/dbraw/zinc/70/46/17/385704617.db2.gz	VEHIQZPAUOMJDF-UHFFFAOYSA-N	-1	1	217.228	1.407	40	0		BDABMM
CCN(CC)c1nc(SC)[n-]c(=O)c1C=O	ZINC000224970035	386160414	/nfs/dbraw/zinc/16/04/14/386160414.db2.gz	RPFRLRYLBRWNIJ-UHFFFAOYSA-N	-1	1	241.316	1.151	40	0		BDABMM
CC(C)Cc1c([O-])[nH]c(=S)[nH]c1=O	ZINC000059417367	386477976	/nfs/dbraw/zinc/47/79/76/386477976.db2.gz	MYBOTAAYRLANES-UHFFFAOYSA-N	-1	1	200.263	1.337	40	0		BDABMM
Cc1cc(C(=O)[O-])n(-c2ccncc2)n1	ZINC000098213723	386580448	/nfs/dbraw/zinc/58/04/48/386580448.db2.gz	FXWPXGZJURZKGC-UHFFFAOYSA-N	-1	1	203.201	1.274	40	0		BDABMM
CC(=O)n1c([S-])nc2ccccc2c1=O	ZINC000103650324	387499538	/nfs/dbraw/zinc/49/95/38/387499538.db2.gz	XWPQKZJAYXPOQE-UHFFFAOYSA-N	-1	1	220.253	1.345	40	0		BDABMM
CC(=O)n1c([O-])c2ccccc2nc1=S	ZINC000103650324	387499544	/nfs/dbraw/zinc/49/95/44/387499544.db2.gz	XWPQKZJAYXPOQE-UHFFFAOYSA-N	-1	1	220.253	1.345	40	0		BDABMM
N[C@H](C(=O)[O-])c1c(Cl)cncc1Cl	ZINC000199809725	388654897	/nfs/dbraw/zinc/65/48/97/388654897.db2.gz	ZDVUWQDTNWSYFY-LURJTMIESA-N	-1	1	221.043	1.473	40	0		BDABMM
CCOC(=O)[C@@H](N)c1ccc([O-])c(Cl)c1	ZINC000049823000	170254806	/nfs/dbraw/zinc/25/48/06/170254806.db2.gz	BZDYTLZSKRPSHV-VIFPVBQESA-N	-1	1	229.663	1.609	40	0		BDABMM
COc1cc2occ([O-])c2c(OC)c1OC	ZINC000001569585	175020371	/nfs/dbraw/zinc/02/03/71/175020371.db2.gz	CDGWQGPJQZDZLA-UHFFFAOYSA-N	-1	1	224.212	1.288	40	0		BDABMM
COc1ccc(-n2[n-]c(C)cc2=O)cc1	ZINC000006504220	175140101	/nfs/dbraw/zinc/14/01/01/175140101.db2.gz	FBFCBNWVKOBJLV-UHFFFAOYSA-N	-1	1	204.229	1.808	40	0		BDABMM
COCc1nc(-c2ccco2)cc(=O)[n-]1	ZINC000072209949	259315888	/nfs/dbraw/zinc/31/58/88/259315888.db2.gz	PEXWCMQJZLUDAH-UHFFFAOYSA-N	-1	1	206.201	1.176	40	0		BDABMM
[NH3+][C@@H](C(=O)[O-])c1ccc([O-])c(Cl)c1	ZINC000008377559	346560373	/nfs/dbraw/zinc/56/03/73/346560373.db2.gz	FLZDFFKRJPLFGS-SSDOTTSWSA-N	-1	1	201.609	1.130	40	0	in-vitro	BDABMM
Cc1nnc(SCc2ccc(C(=O)[O-])o2)[nH]1	ZINC000020395207	179838742	/nfs/dbraw/zinc/83/87/42/179838742.db2.gz	FCRWXXDTRXGOBK-UHFFFAOYSA-N	-1	1	239.256	1.697	40	0		BDABMM
CN(C)[C@](C)(C(=O)[O-])c1c(F)cccc1F	ZINC000037357854	350361380	/nfs/dbraw/zinc/36/13/80/350361380.db2.gz	ZDCCYOLFDXRISH-NSHDSACASA-N	-1	1	229.226	1.826	40	0		BDABMM
CN(C)[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000037357518	350362192	/nfs/dbraw/zinc/36/21/92/350362192.db2.gz	VTLIRWUJOTYOIZ-SECBINFHSA-N	-1	1	215.199	1.652	40	0		BDABMM
O=C1[N-]C(=S)NC1=Cc1ccc2c(c1)CCC2	ZINC000004582328	188276936	/nfs/dbraw/zinc/27/69/36/188276936.db2.gz	DVTCGGHZUJTRKN-YRNVUSSQSA-N	-1	1	244.319	1.521	40	0		BDABMM
CCCC1(CC(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005561306	188277904	/nfs/dbraw/zinc/27/79/04/188277904.db2.gz	AOVUNSAVILXNQR-UHFFFAOYSA-N	-1	1	242.344	1.350	40	0		BDABMM
NC(=O)C1=C([O-])c2cccc3c2[C@@H]1CCCC3	ZINC000001701384	181266201	/nfs/dbraw/zinc/26/62/01/181266201.db2.gz	SVZOMOWNFWLDGE-CABZTGNLSA-N	-1	1	229.279	1.794	40	0		BDABMM
O=C(Nc1nn[n-]n1)Nc1ccc(Cl)cc1	ZINC000006251416	182352947	/nfs/dbraw/zinc/35/29/47/182352947.db2.gz	URAOUDHTUGPDBF-UHFFFAOYSA-N	-1	1	238.638	1.497	40	0		BDABMM
O=c1cn[n-]c2c(Br)cccc12	ZINC000001704371	183007266	/nfs/dbraw/zinc/00/72/66/183007266.db2.gz	SIGFMNHXOPEYQN-UHFFFAOYSA-N	-1	1	225.045	1.686	40	0		BDABMM
O=c1[n-]c(=S)c(Br)c[nH]1	ZINC000001678981	183306682	/nfs/dbraw/zinc/30/66/82/183306682.db2.gz	BJMRKVSVOVCZPI-UHFFFAOYSA-N	-1	1	207.052	1.607	40	0		BDABMM
CCCOc1n[nH]c(C(=O)[O-])c1Br	ZINC000096509301	169328488	/nfs/dbraw/zinc/32/84/88/169328488.db2.gz	MBTBPKTXTNFNDV-UHFFFAOYSA-N	-1	1	249.064	1.659	40	0		BDABMM
CCC1(CC(C)(C)Cl)C(=O)[N-]C(=O)NC1=O	ZINC000001752381	383934271	/nfs/dbraw/zinc/93/42/71/383934271.db2.gz	BWVBTIWBVQDSQO-UHFFFAOYSA-N	-1	1	246.694	1.156	40	0		BDABMM
CC[C@H](C)[C@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001997537	383943978	/nfs/dbraw/zinc/94/39/78/383943978.db2.gz	YYDYCOYEAOTLGT-WRWORJQWSA-N	-1	1	226.276	1.137	40	0		BDABMM
O=C(c1ccc([O-])cn1)N1CCCCC1	ZINC000071255429	384153510	/nfs/dbraw/zinc/15/35/10/384153510.db2.gz	OUOSULQMNVZGMT-UHFFFAOYSA-N	-1	1	206.245	1.413	40	0		BDABMM
Cn1nccc1[C@@H]1CCC[N@H+]1CCC(=O)[O-]	ZINC000012398749	384317196	/nfs/dbraw/zinc/31/71/96/384317196.db2.gz	LBWUSXZTMGDIID-JTQLQIEISA-N	-1	1	223.276	1.032	40	0		BDABMM
O=Cc1n[nH]c2nc(Cl)nc(Cl)c12	ZINC000097758387	397952401	/nfs/dbraw/zinc/95/24/01/397952401.db2.gz	MRLQQIVPWLJATN-UHFFFAOYSA-N	-1	1	217.015	1.472	40	0		BDABMM
Cc1[n-][nH]c(=O)c1Cc1ccc(C)cc1	ZINC000100028506	168136660	/nfs/dbraw/zinc/13/66/60/168136660.db2.gz	HBMUXNKAGJTAHV-LLVKDONJSA-N	-1	1	202.257	1.659	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccc(O)cc2)n1	ZINC000085385691	170305238	/nfs/dbraw/zinc/30/52/38/170305238.db2.gz	AZGAMQIRLIWKKV-UHFFFAOYSA-N	-1	1	233.227	1.354	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccccc2N)n1	ZINC000085385719	170305423	/nfs/dbraw/zinc/30/54/23/170305423.db2.gz	ICITUTPASHDOKS-UHFFFAOYSA-N	-1	1	232.243	1.231	40	0		BDABMM
COc1ccc2[nH]nc(CC(=O)[O-])c2c1	ZINC000035569850	175202726	/nfs/dbraw/zinc/20/27/26/175202726.db2.gz	ALDYNZAFBDWYOF-UHFFFAOYSA-N	-1	1	206.201	1.199	40	0		BDABMM
C[C@H](Sc1n[nH]c(=S)s1)C(=O)[O-]	ZINC000002506720	177031179	/nfs/dbraw/zinc/03/11/79/177031179.db2.gz	ZFPMEDPHSLEAQZ-REOHCLBHSA-N	-1	1	222.316	1.392	40	0		BDABMM
Cc1ccc(-c2nnc(CC(=O)[O-])[nH]2)cc1	ZINC000026440601	487861926	/nfs/dbraw/zinc/86/19/26/487861926.db2.gz	VAASCPKLFTZZDQ-UHFFFAOYSA-N	-1	1	217.228	1.407	40	0		BDABMM
Cc1ccc(-c2nc(CC(=O)[O-])n[nH]2)cc1	ZINC000026440601	487861931	/nfs/dbraw/zinc/86/19/31/487861931.db2.gz	VAASCPKLFTZZDQ-UHFFFAOYSA-N	-1	1	217.228	1.407	40	0		BDABMM
CC[C@@H](C)[C@@H](Nc1ccc(N)cc1N)C(=O)[O-]	ZINC000071782955	398160890	/nfs/dbraw/zinc/16/08/90/398160890.db2.gz	JGIKEBHAJAQFNZ-RDDDGLTNSA-N	-1	1	237.303	1.762	40	0		BDABMM
Cn1nc2c3c(F)ccc(F)c3[n-]cc-2c1=O	ZINC000064874876	259313211	/nfs/dbraw/zinc/31/32/11/259313211.db2.gz	PBDKMPCETVIKMK-UHFFFAOYSA-N	-1	1	235.193	1.693	40	0		BDABMM
CCO[P@](=O)([O-])OC[C@@H]1COC(C)(C)O1	ZINC000005463170	342764075	/nfs/dbraw/zinc/76/40/75/342764075.db2.gz	RALQPKBCONMLLZ-ZETCQYMHSA-N	-1	1	240.192	1.291	40	0		BDABMM
CCCCc1c([O-])[nH]c(=S)n(C)c1=O	ZINC000005553962	342765934	/nfs/dbraw/zinc/76/59/34/342765934.db2.gz	GYAQXINQSJDJPH-ZCFIWIBFSA-N	-1	1	214.290	1.077	40	0		BDABMM
CCC1(/C=C/C(C)C)C(=O)[N-]C(=S)NC1=O	ZINC000005599453	342766657	/nfs/dbraw/zinc/76/66/57/342766657.db2.gz	CAKSIGQXKKAMBQ-AATRIKPKSA-N	-1	1	240.328	1.126	40	0		BDABMM
Nc1cc(=O)[n-]c(SCc2cccnc2)n1	ZINC000016429950	342910749	/nfs/dbraw/zinc/91/07/49/342910749.db2.gz	TZUFMZVYFIMKSU-UHFFFAOYSA-N	-1	1	234.284	1.039	40	0		BDABMM
CS[C@H](C)C[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000035572320	343298373	/nfs/dbraw/zinc/29/83/73/343298373.db2.gz	PUXMAVZQHKAIDA-VQVTYTSYSA-N	-1	1	221.347	1.244	40	0		BDABMM
CCc1n[nH]c(S[C@H](CC)C(=O)[O-])n1	ZINC000076566139	343366733	/nfs/dbraw/zinc/36/67/33/343366733.db2.gz	VIPYDGRHNLEKDG-RXMQYKEDSA-N	-1	1	215.278	1.322	40	0		BDABMM
CCc1nnc(S[C@H](CC)C(=O)[O-])[nH]1	ZINC000076566139	343366734	/nfs/dbraw/zinc/36/67/34/343366734.db2.gz	VIPYDGRHNLEKDG-RXMQYKEDSA-N	-1	1	215.278	1.322	40	0		BDABMM
CC(=O)Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000006296222	345546599	/nfs/dbraw/zinc/54/65/99/345546599.db2.gz	PYJRRTIQDZADOK-UHFFFAOYSA-N	-1	1	235.268	1.149	40	0		BDABMM
S=c1[n-]ncn1NCc1ccsc1	ZINC000007602236	346664221	/nfs/dbraw/zinc/66/42/21/346664221.db2.gz	UQPPIYICBSGOOF-UHFFFAOYSA-N	-1	1	212.303	1.746	40	0		BDABMM
CN(C)[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000037357515	350362250	/nfs/dbraw/zinc/36/22/50/350362250.db2.gz	VTLIRWUJOTYOIZ-VIFPVBQESA-N	-1	1	215.199	1.652	40	0		BDABMM
O=c1c2cccc([O-])c2nc2n1CCC2	ZINC000013480256	353163754	/nfs/dbraw/zinc/16/37/54/353163754.db2.gz	VASLDXYTSVTJKY-UHFFFAOYSA-N	-1	1	202.213	1.048	40	0		BDABMM
O=C([O-])[C@@H]1Cc2nc[nH]c2[C@H](c2ccsc2)N1	ZINC000005067460	353554358	/nfs/dbraw/zinc/55/43/58/353554358.db2.gz	PINMDTPEPNPDGO-IUCAKERBSA-N	-1	1	249.295	1.160	40	0		BDABMM
NC(=O)C1=C([O-])c2cccc3c2[C@H]1CCCC3	ZINC000001701385	181266418	/nfs/dbraw/zinc/26/64/18/181266418.db2.gz	SVZOMOWNFWLDGE-SKDRFNHKSA-N	-1	1	229.279	1.794	40	0		BDABMM
NC(=O)c1ccc(C(F)(F)F)cc1[O-]	ZINC000001728538	181294812	/nfs/dbraw/zinc/29/48/12/181294812.db2.gz	TZCZNBBIPUEKET-UHFFFAOYSA-N	-1	1	205.135	1.510	40	0		BDABMM
O=C([O-])[C@H](CN1CCOCC1)c1ccccc1	ZINC000041265482	358753178	/nfs/dbraw/zinc/75/31/78/358753178.db2.gz	BKDMEABBPCDADM-GFCCVEGCSA-N	-1	1	235.283	1.187	40	0		BDABMM
O=C([O-])c1c[nH]c2cc(F)ccc2c1=O	ZINC000027718394	370408912	/nfs/dbraw/zinc/40/89/12/370408912.db2.gz	FWIYSXZSVUTDIK-UHFFFAOYSA-N	-1	1	207.160	1.365	40	0		BDABMM
O=C(O)c1c[n-]c2cc(F)ccc2c1=O	ZINC000027718394	370408917	/nfs/dbraw/zinc/40/89/17/370408917.db2.gz	FWIYSXZSVUTDIK-UHFFFAOYSA-N	-1	1	207.160	1.365	40	0		BDABMM
O=C([O-])C1(NC(=O)C(F)(F)F)CCCC1	ZINC000001732826	182089683	/nfs/dbraw/zinc/08/96/83/182089683.db2.gz	OQXFDWCFWJQCPA-UHFFFAOYSA-N	-1	1	225.166	1.062	40	0		BDABMM
CCC[C@@H](C)[C@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001661097	169374629	/nfs/dbraw/zinc/37/46/29/169374629.db2.gz	OIIGBIYLGSWNKY-PRHODGIISA-N	-1	1	240.303	1.527	40	0		BDABMM
O=S(=O)([O-])c1cccc2c3nc[nH]c3ccc21	ZINC000070461236	383926724	/nfs/dbraw/zinc/92/67/24/383926724.db2.gz	MMIXBECVMWXDHH-UHFFFAOYSA-N	-1	1	248.263	1.963	40	0		BDABMM
C/C=C\CC1(CCC)C(=O)[N-]C(=S)NC1=O	ZINC000004769346	384081050	/nfs/dbraw/zinc/08/10/50/384081050.db2.gz	DASWMKWTPHZQNX-HYXAFXHYSA-N	-1	1	240.328	1.270	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1cccs1	ZINC000100185626	384621206	/nfs/dbraw/zinc/62/12/06/384621206.db2.gz	ZSKFIXMFIWJQKD-QMMMGPOBSA-N	-1	1	226.253	1.309	40	0		BDABMM
Cc1cccc(C([O-])=C2C(=O)CCC2=O)c1	ZINC000100675865	384651638	/nfs/dbraw/zinc/65/16/38/384651638.db2.gz	JLTKRNYGLKMXLS-UHFFFAOYSA-N	-1	1	216.236	1.726	40	0		BDABMM
Cc1cc(=O)[n-]c(-c2cnn(C(C)C)c2)n1	ZINC000072226218	385126444	/nfs/dbraw/zinc/12/64/44/385126444.db2.gz	VTHHWQDLCTUGBB-UHFFFAOYSA-N	-1	1	218.260	1.523	40	0		BDABMM
Cc1cnc(Nc2ccc3c(c2)OCO3)[n-]c1=O	ZINC000408981619	385421460	/nfs/dbraw/zinc/42/14/60/385421460.db2.gz	VZCTYHBJJDIDKY-UHFFFAOYSA-N	-1	1	245.238	1.963	40	0		BDABMM
O=c1cc(Cl)nc([C@H]2CCCO2)[n-]1	ZINC000217729561	388380145	/nfs/dbraw/zinc/38/01/45/388380145.db2.gz	JFUOHUKXOGIQGQ-RXMQYKEDSA-N	-1	1	200.625	1.275	40	0		BDABMM
Cc1cc(N)ccc1N1CCC(C(=O)[O-])CC1	ZINC000167311425	132244412	/nfs/dbraw/zinc/24/44/12/132244412.db2.gz	ZJNXQDHEEUHXMQ-UHFFFAOYSA-N	-1	1	234.299	1.878	40	0		BDABMM
CC(C)Oc1n[nH]c(C(=O)[O-])c1Cl	ZINC000096509288	167312680	/nfs/dbraw/zinc/31/26/80/167312680.db2.gz	PZSNSYATMYIXJW-UHFFFAOYSA-N	-1	1	204.613	1.549	40	0		BDABMM
CCOC(=O)c1cc2oc(C=O)cc2[n-]1	ZINC000005000278	170294667	/nfs/dbraw/zinc/29/46/67/170294667.db2.gz	LLUAFZCHNRGEKP-UHFFFAOYSA-N	-1	1	207.185	1.750	40	0		BDABMM
C[C@@H](Sc1n[nH]c(=S)s1)C(=O)[O-]	ZINC000015440423	176010623	/nfs/dbraw/zinc/01/06/23/176010623.db2.gz	ZFPMEDPHSLEAQZ-UWTATZPHSA-N	-1	1	222.316	1.392	40	0		BDABMM
Cc1cc([O-])n(Cc2ccccc2)c(=O)c1	ZINC000001730266	178201125	/nfs/dbraw/zinc/20/11/25/178201125.db2.gz	CIERRKPTQQYRON-UHFFFAOYSA-N	-1	1	215.252	1.911	40	0		BDABMM
CC[C@@H](C)[C@@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001997534	342714196	/nfs/dbraw/zinc/71/41/96/342714196.db2.gz	YYDYCOYEAOTLGT-HQJQHLMTSA-N	-1	1	226.276	1.137	40	0		BDABMM
Cc1n[nH]c(-c2cccnc2)c1C(=O)[O-]	ZINC000038580630	342799832	/nfs/dbraw/zinc/79/98/32/342799832.db2.gz	SCQGPQMDCAYTOI-UHFFFAOYSA-N	-1	1	203.201	1.478	40	0		BDABMM
C/C=C(\CC)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000016927118	342917221	/nfs/dbraw/zinc/91/72/21/342917221.db2.gz	DSQWWVFUSSFHRT-QPJJXVBHSA-N	-1	1	224.260	1.105	40	0		BDABMM
O=c1ccnc(Nc2ccc[nH]c2=S)[n-]1	ZINC000016941151	342917639	/nfs/dbraw/zinc/91/76/39/342917639.db2.gz	ZCMLIDBSBFJNNQ-UHFFFAOYSA-N	-1	1	220.257	1.571	40	0		BDABMM
CC(C)(C)C[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000035572347	343298586	/nfs/dbraw/zinc/29/85/86/343298586.db2.gz	WBGSEGFGHVFBQZ-NKWVEPMBSA-N	-1	1	203.307	1.538	40	0		BDABMM
Cc1n[n-]c(=S)n1NCc1cccn1C	ZINC000007601992	346663947	/nfs/dbraw/zinc/66/39/47/346663947.db2.gz	HBTLXGUOWAKPKG-UHFFFAOYSA-N	-1	1	223.305	1.331	40	0		BDABMM
Nc1nc(-c2ccccc2)[n-]c(=O)c1N=O	ZINC000015924534	347137541	/nfs/dbraw/zinc/13/75/41/347137541.db2.gz	DFOUWTNXVWFGGD-UHFFFAOYSA-N	-1	1	216.200	1.829	40	0		BDABMM
Cc1cc(=O)[n-]c(SC(=O)c2ccco2)n1	ZINC000016283706	347169528	/nfs/dbraw/zinc/16/95/28/347169528.db2.gz	NVNAGTSBVBKNAJ-UHFFFAOYSA-N	-1	1	236.252	1.604	40	0		BDABMM
O=C(Nc1n[n-]c(=S)[nH]1)Nc1ccccc1	ZINC000006927555	182375420	/nfs/dbraw/zinc/37/54/20/182375420.db2.gz	SOTIKNGVYITNDH-UHFFFAOYSA-N	-1	1	235.272	1.737	40	0		BDABMM
CC1(C)C(=O)[N-]C(=O)N1Br	ZINC000002572206	383978515	/nfs/dbraw/zinc/97/85/15/383978515.db2.gz	SSSAHVJVVZSZQL-UHFFFAOYSA-N	-1	1	207.027	1.467	40	0		BDABMM
[O-]C(O)(C(F)(F)F)C(F)(F)Cl	ZINC000004329289	384056930	/nfs/dbraw/zinc/05/69/30/384056930.db2.gz	KODPWAQOSRGQFM-UHFFFAOYSA-N	-1	1	200.490	1.061	40	0		BDABMM
CC(=O)C=C(O)CCCCCCC(=O)[O-]	ZINC000104189016	384946737	/nfs/dbraw/zinc/94/67/37/384946737.db2.gz	NUJXPZCMZLDPOM-UHFFFAOYSA-N	-1	1	214.261	1.960	40	0		BDABMM
Cc1ccc(C)c(C[P@](=O)([O-])O)c1	ZINC000032599765	385173073	/nfs/dbraw/zinc/17/30/73/385173073.db2.gz	PIBVXZJQGLZTNM-UHFFFAOYSA-N	-1	1	200.174	1.981	40	0		BDABMM
O=C([O-])c1cc(OCCOc2ccccc2)n[nH]1	ZINC000096510754	385245758	/nfs/dbraw/zinc/24/57/58/385245758.db2.gz	MPVZABCUELXJIW-UHFFFAOYSA-N	-1	1	248.238	1.566	40	0		BDABMM
C[Si](C)(C)C(F)(F)[P@@](=O)([O-])O	ZINC000169909561	388264893	/nfs/dbraw/zinc/26/48/93/388264893.db2.gz	AQNQDNPBGPSXLA-UHFFFAOYSA-N	-1	1	204.185	1.634	40	0		BDABMM
C[Si](C)(C)C(F)(F)[P@](=O)([O-])O	ZINC000169909561	388264895	/nfs/dbraw/zinc/26/48/95/388264895.db2.gz	AQNQDNPBGPSXLA-UHFFFAOYSA-N	-1	1	204.185	1.634	40	0		BDABMM
Cc1[n-][nH]c(=O)c1Cc1ccc(C)cc1	ZINC000100028508	168136139	/nfs/dbraw/zinc/13/61/39/168136139.db2.gz	HBMUXNKAGJTAHV-NSHDSACASA-N	-1	1	202.257	1.659	40	0		BDABMM
CCOC(=O)C(=C(C)[O-])c1cc(Cl)ncn1	ZINC000225828681	170245324	/nfs/dbraw/zinc/24/53/24/170245324.db2.gz	APXFHMKPTCODAC-VIFPVBQESA-N	-1	1	242.662	1.366	40	0		BDABMM
CCOC(=O)c1nc2cc(F)c[n-]c-2n1	ZINC000071257656	170307752	/nfs/dbraw/zinc/30/77/52/170307752.db2.gz	WFTRRADJPVPTFR-UHFFFAOYSA-N	-1	1	209.180	1.274	40	0		BDABMM
CCOC(=O)c1nc2cc(F)cnc2[n-]1	ZINC000071257656	170307754	/nfs/dbraw/zinc/30/77/54/170307754.db2.gz	WFTRRADJPVPTFR-UHFFFAOYSA-N	-1	1	209.180	1.274	40	0		BDABMM
CCc1nnc(SCCCC(=O)[O-])[nH]1	ZINC000224977823	172062097	/nfs/dbraw/zinc/06/20/97/172062097.db2.gz	BPAYQNANIQCJKL-UHFFFAOYSA-N	-1	1	215.278	1.324	40	0		BDABMM
CCc1n[nH]c(SCCCC(=O)[O-])n1	ZINC000224977823	172062099	/nfs/dbraw/zinc/06/20/99/172062099.db2.gz	BPAYQNANIQCJKL-UHFFFAOYSA-N	-1	1	215.278	1.324	40	0		BDABMM
Cc1c([O-])n(C)c(=O)n(C2CCCCC2)c1=O	ZINC000001609329	177056698	/nfs/dbraw/zinc/05/66/98/177056698.db2.gz	QCLPMORXHSWOIF-QMMMGPOBSA-N	-1	1	238.287	1.376	40	0		BDABMM
O=c1[n-]c(=O)c(Cl)c(-c2ccccc2)[nH]1	ZINC000001689135	342709284	/nfs/dbraw/zinc/70/92/84/342709284.db2.gz	CWHCSHQEUCLQTF-UHFFFAOYSA-N	-1	1	222.631	1.384	40	0		BDABMM
C/C=C\[C@H](C)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000012417027	342851873	/nfs/dbraw/zinc/85/18/73/342851873.db2.gz	BSECGQHCZYTZFU-NGAMADIESA-N	-1	1	240.328	1.126	40	0		BDABMM
Cc1cc([N-]S(=O)(=O)c2ccccc2)[nH]n1	ZINC000006270037	346646694	/nfs/dbraw/zinc/64/66/94/346646694.db2.gz	SBGCUIUFBLXSTM-UHFFFAOYSA-N	-1	1	237.284	1.519	40	0		BDABMM
Cc1nc2c(c(=O)[n-]1)OCN(C1CCCCC1)C2	ZINC000017380842	180067761	/nfs/dbraw/zinc/06/77/61/180067761.db2.gz	WQSUVCVBLDMARS-UHFFFAOYSA-N	-1	1	249.314	1.563	40	0		BDABMM
CC(=O)c1ccc([O-])c(C=C2CCOC2=O)c1	ZINC000001646550	188455503	/nfs/dbraw/zinc/45/55/03/188455503.db2.gz	ZJZBRSXUNGZMGF-JXMROGBWSA-N	-1	1	232.235	1.925	40	0		BDABMM
NC(=O)C1=C([O-])c2cccc3c2[C@@H]1CCCC3	ZINC000001701386	181279953	/nfs/dbraw/zinc/27/99/53/181279953.db2.gz	SVZOMOWNFWLDGE-JOYOIKCWSA-N	-1	1	229.279	1.794	40	0		BDABMM
C/C=C\[C@@H](C)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000012417029	384318869	/nfs/dbraw/zinc/31/88/69/384318869.db2.gz	BSECGQHCZYTZFU-FXXDRWHHSA-N	-1	1	240.328	1.126	40	0		BDABMM
CC(=O)C(SC(F)(F)F)=C(C)[O-]	ZINC000100502889	385106049	/nfs/dbraw/zinc/10/60/49/385106049.db2.gz	VUYWKNBMYHLAQH-UHFFFAOYSA-N	-1	1	200.181	1.786	40	0		BDABMM
CCc1ccc2c(c1)C(O)=C1C[C@@]1(C(=O)[O-])O2	ZINC000085392636	385158977	/nfs/dbraw/zinc/15/89/77/385158977.db2.gz	LZRIKWBDKHKVBI-NOZJJQNGSA-N	-1	1	232.235	1.667	40	0		BDABMM
O=c1cc(Cl)nc(C2CCOCC2)[n-]1	ZINC000217729656	388379874	/nfs/dbraw/zinc/37/98/74/388379874.db2.gz	WUGGIPRGNMUVCS-UHFFFAOYSA-N	-1	1	214.652	1.317	40	0		BDABMM
CC1=C(C(=O)[O-])NN(c2ccc(Cl)cc2)N1	ZINC000226233953	168080849	/nfs/dbraw/zinc/08/08/49/168080849.db2.gz	MUIZBATYMTXSBT-UHFFFAOYSA-N	-1	1	239.662	1.485	40	0		BDABMM
CCOC(=O)c1nn(-c2cccc(C)c2)cc1[O-]	ZINC000049474304	170192417	/nfs/dbraw/zinc/19/24/17/170192417.db2.gz	ANELQHJCVDZPDZ-UHFFFAOYSA-N	-1	1	246.266	1.303	40	0		BDABMM
CCOC(=O)c1[n-]nc(OC)c1Br	ZINC000096509305	170287393	/nfs/dbraw/zinc/28/73/93/170287393.db2.gz	DIQNQICXSFNYGP-UHFFFAOYSA-N	-1	1	249.064	1.358	40	0		BDABMM
CCOC(=O)c1nc(C(=O)OC(C)(C)C)c[n-]1	ZINC000090463670	170306468	/nfs/dbraw/zinc/30/64/68/170306468.db2.gz	BHKTWIPEAFACTC-UHFFFAOYSA-N	-1	1	240.259	1.542	40	0		BDABMM
CN1CCN(Cc2ccc([S-])cc2F)CC1	ZINC000095738799	173086970	/nfs/dbraw/zinc/08/69/70/173086970.db2.gz	DWESFNATAXRJIY-UHFFFAOYSA-N	-1	1	240.347	1.862	40	0		BDABMM
COc1ccc(C=C2NC(=O)[N-]C2=S)cc1	ZINC000005526830	175048469	/nfs/dbraw/zinc/04/84/69/175048469.db2.gz	ZBDJAWKHXMMSQP-RMKNXTFCSA-N	-1	1	234.280	1.676	40	0		BDABMM
Cc1ccnc(-n2c(N)cc(=O)[n-]c2=S)c1	ZINC000005579846	342766221	/nfs/dbraw/zinc/76/62/21/342766221.db2.gz	CPTALOKZSKFPOT-UHFFFAOYSA-N	-1	1	234.284	1.181	40	0		BDABMM
CCN1CCN(c2cc(C)c(C(=O)[O-])cn2)CC1	ZINC000072223622	259321540	/nfs/dbraw/zinc/32/15/40/259321540.db2.gz	WRGFBHKSUFNVCD-UHFFFAOYSA-N	-1	1	249.314	1.230	40	0		BDABMM
Nc1nc(Oc2ccccc2)cc(=O)[n-]1	ZINC000014982127	342890098	/nfs/dbraw/zinc/89/00/98/342890098.db2.gz	NEGQSDPVDSQERW-UHFFFAOYSA-N	-1	1	203.201	1.144	40	0		BDABMM
O=c1[n-]cncc1OCc1ccccc1	ZINC000018205525	342934801	/nfs/dbraw/zinc/93/48/01/342934801.db2.gz	BAKPIPOHWIYYGO-UHFFFAOYSA-N	-1	1	202.213	1.349	40	0		BDABMM
CCC1([C@H](C)C=C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000018212966	342934907	/nfs/dbraw/zinc/93/49/07/342934907.db2.gz	VELIJARCYHAWJO-MRVPVSSYSA-N	-1	1	238.287	1.351	40	0		BDABMM
O=C([O-])[C@H]1CS[C@H](C2CCCC2)N1	ZINC000035572343	343298529	/nfs/dbraw/zinc/29/85/29/343298529.db2.gz	WPLZIGHQZCIPCK-HTQZYQBOSA-N	-1	1	201.291	1.292	40	0		BDABMM
O=C1[N-]C(=O)[C@@H]2CCCc3cccc1c32	ZINC000005648516	182794095	/nfs/dbraw/zinc/79/40/95/182794095.db2.gz	RSBGHQYWTSSOHB-SECBINFHSA-N	-1	1	201.225	1.377	40	0		BDABMM
CCC[C@H](C)[C@@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001661096	383918328	/nfs/dbraw/zinc/91/83/28/383918328.db2.gz	OIIGBIYLGSWNKY-UFBFGSQYSA-N	-1	1	240.303	1.527	40	0		BDABMM
C/C=C/[C@H](C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000001714812	383928093	/nfs/dbraw/zinc/92/80/93/383928093.db2.gz	FKUZMHMHFFKCDT-JQTRYQTASA-N	-1	1	238.287	1.351	40	0		BDABMM
C/C=C(/CC)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000001714776	383928695	/nfs/dbraw/zinc/92/86/95/383928695.db2.gz	DSQWWVFUSSFHRT-DAXSKMNVSA-N	-1	1	224.260	1.105	40	0		BDABMM
C/C=C\CC1(CCCC)C(=O)[N-]C(=O)NC1=O	ZINC000016926625	384473543	/nfs/dbraw/zinc/47/35/43/384473543.db2.gz	DARREYPXFUYMQI-HYXAFXHYSA-N	-1	1	238.287	1.495	40	0		BDABMM
Cc1nnc2c(Cc3ccccc3)n[nH]c([O-])c1-2	ZINC000017107071	384479659	/nfs/dbraw/zinc/47/96/59/384479659.db2.gz	UPGGLUOZWJPDMM-UHFFFAOYSA-N	-1	1	240.266	1.958	40	0		BDABMM
CCCn1cc(-c2nccc(=O)[n-]2)cn1	ZINC000072226211	385125549	/nfs/dbraw/zinc/12/55/49/385125549.db2.gz	AGVLDXFMXMJACY-UHFFFAOYSA-N	-1	1	204.233	1.043	40	0		BDABMM
CC(C)C(=O)n1c([S-])nc2ccccc2c1=O	ZINC000103650355	387497980	/nfs/dbraw/zinc/49/79/80/387497980.db2.gz	HNXCKWNXMNOXPI-UHFFFAOYSA-N	-1	1	248.307	1.981	40	0		BDABMM
CC(C)C(=O)n1c([O-])c2ccccc2nc1=S	ZINC000103650355	387497984	/nfs/dbraw/zinc/49/79/84/387497984.db2.gz	HNXCKWNXMNOXPI-UHFFFAOYSA-N	-1	1	248.307	1.981	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2cccc(O)c2)n1	ZINC000085385688	170305662	/nfs/dbraw/zinc/30/56/62/170305662.db2.gz	CJRGAMBUEROEJX-UHFFFAOYSA-N	-1	1	233.227	1.354	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccccc2C)n1	ZINC000085385851	170306000	/nfs/dbraw/zinc/30/60/00/170306000.db2.gz	GSZZOOOSTSXUOD-UHFFFAOYSA-N	-1	1	231.255	1.957	40	0		BDABMM
COc1ccc(-c2ccncn2)c([O-])c1	ZINC000032501258	175036107	/nfs/dbraw/zinc/03/61/07/175036107.db2.gz	DQRIAZPIAZGYKQ-UHFFFAOYSA-N	-1	1	202.213	1.858	40	0		BDABMM
COc1ccc(C([O-])=C2C(=O)CCC2=O)cc1	ZINC000100675861	175052743	/nfs/dbraw/zinc/05/27/43/175052743.db2.gz	IMFOYZMDVNYVDP-UHFFFAOYSA-N	-1	1	232.235	1.426	40	0		BDABMM
Fc1ccc(CNn2cn[n-]c2=S)cc1	ZINC000017744326	526342060	/nfs/dbraw/zinc/34/20/60/526342060.db2.gz	SSGLXILAXJCVII-UHFFFAOYSA-N	-1	1	224.264	1.823	40	0		BDABMM
CSc1nc2nc(Cl)[n-]c2c(N(C)C)n1	ZINC000004353722	342747192	/nfs/dbraw/zinc/74/71/92/342747192.db2.gz	DTIVGQBONZAYLG-UHFFFAOYSA-N	-1	1	243.723	1.794	40	0		BDABMM
CCCCCCC1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000003875968	347631189	/nfs/dbraw/zinc/63/11/89/347631189.db2.gz	PSTVHRSUNBSVIJ-UHFFFAOYSA-N	-1	1	240.303	1.719	40	0	in-vitro	BDABMM
Cc1nc(CCC(=O)[O-])c2ccccn12	ZINC000011569876	370726227	/nfs/dbraw/zinc/72/62/27/370726227.db2.gz	GNINLPRLXIZRKC-UHFFFAOYSA-N	-1	1	204.229	1.660	40	0		BDABMM
COC(=O)c1cccc2[n-]c(OC)nc21	ZINC000065743198	383822365	/nfs/dbraw/zinc/82/23/65/383822365.db2.gz	NAZNETUDNVEOCA-UHFFFAOYSA-N	-1	1	206.201	1.358	40	0	in-vitro	BDABMM
COC(=O)c1cccc2nc(OC)[n-]c21	ZINC000065743198	383822375	/nfs/dbraw/zinc/82/23/75/383822375.db2.gz	NAZNETUDNVEOCA-UHFFFAOYSA-N	-1	1	206.201	1.358	40	0	in-vitro	BDABMM
O=[P@@]([O-])(O)c1cccc2ccccc21	ZINC000001593181	383909523	/nfs/dbraw/zinc/90/95/23/383909523.db2.gz	YOOYVODKUBZAPO-UHFFFAOYSA-N	-1	1	208.153	1.643	40	0		BDABMM
O=[P@]([O-])(O)c1cccc2ccccc21	ZINC000001593181	383909530	/nfs/dbraw/zinc/90/95/30/383909530.db2.gz	YOOYVODKUBZAPO-UHFFFAOYSA-N	-1	1	208.153	1.643	40	0		BDABMM
CC/C=C(/C)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000005447606	384116324	/nfs/dbraw/zinc/11/63/24/384116324.db2.gz	VFWWVUSKBIDTAN-SREVYHEPSA-N	-1	1	240.328	1.270	40	0		BDABMM
Cc1nc(/C=C/C(=O)[O-])c2ccccn12	ZINC000011667053	384292717	/nfs/dbraw/zinc/29/27/17/384292717.db2.gz	AWKCKKLTAPHDHJ-AATRIKPKSA-N	-1	1	202.213	1.741	40	0		BDABMM
O=C([O-])[C@H]1CCN(Cc2cn3ccccc3n2)C1	ZINC000062134248	384714265	/nfs/dbraw/zinc/71/42/65/384714265.db2.gz	ISTSMLNWJZPTAL-JTQLQIEISA-N	-1	1	245.282	1.241	40	0		BDABMM
O=C(c1ccc(Cl)cc1)N1CC([O-])=CC1=O	ZINC000104209247	384814715	/nfs/dbraw/zinc/81/47/15/384814715.db2.gz	SJEURSKCUNQIHL-UHFFFAOYSA-N	-1	1	237.642	1.764	40	0		BDABMM
CC/C=C(/C)C1(CC)C(=O)[N-]C(=O)NC1=O	ZINC000005447609	385030135	/nfs/dbraw/zinc/03/01/35/385030135.db2.gz	RAFOHKSPUDGZPR-SREVYHEPSA-N	-1	1	224.260	1.105	40	0	in-vitro	BDABMM
Cc1cc(=O)[n-]c(-c2cnn(CC(C)C)c2)n1	ZINC000072226220	385125112	/nfs/dbraw/zinc/12/51/12/385125112.db2.gz	WPPUQNFSTGNXJD-UHFFFAOYSA-N	-1	1	232.287	1.598	40	0		BDABMM
CCOCc1cc(=O)[n-]c(SC)n1	ZINC000013597237	386575851	/nfs/dbraw/zinc/57/58/51/386575851.db2.gz	HWSUXPLGIUNHFJ-UHFFFAOYSA-N	-1	1	200.263	1.028	40	0		BDABMM
CCOC(=O)C(SC(F)(F)F)=C(C)[O-]	ZINC000015442456	170278231	/nfs/dbraw/zinc/27/82/31/170278231.db2.gz	QZOUVWZPWRWSPI-RXMQYKEDSA-N	-1	1	230.207	1.760	40	0		BDABMM
CC[C@H](C)[C@H](Nc1ccc(N)cc1N)C(=O)[O-]	ZINC000071782954	171399934	/nfs/dbraw/zinc/39/99/34/171399934.db2.gz	JGIKEBHAJAQFNZ-CPCISQLKSA-N	-1	1	237.303	1.762	40	0		BDABMM
COC(=O)Cc1ccc([O-])c(F)c1F	ZINC000228907355	523368528	/nfs/dbraw/zinc/36/85/28/523368528.db2.gz	WBDLUYMWXQCWCP-UHFFFAOYSA-N	-1	1	202.156	1.386	40	0		BDABMM
O=c1[n-]cnc(C2CC2)c1Br	ZINC000084198908	527445779	/nfs/dbraw/zinc/44/57/79/527445779.db2.gz	DNYANJNYEUFPQO-UHFFFAOYSA-N	-1	1	215.050	1.410	40	0		BDABMM
CCc1c([O-])[nH]c2ccc(F)cc2c1=O	ZINC000002551716	583170084	/nfs/dbraw/zinc/17/00/84/583170084.db2.gz	IGOFJFGYZRONGV-UHFFFAOYSA-N	-1	1	207.204	1.935	40	0		BDABMM
Cc1cc(=O)[n-]c(-n2nc(CC(C)C)cc2N)n1	ZINC000085398311	178201952	/nfs/dbraw/zinc/20/19/52/178201952.db2.gz	DOQMQWDLUHGAKH-UHFFFAOYSA-N	-1	1	247.302	1.457	40	0		BDABMM
Cc1ccc(-c2nc(N)cc(=O)[n-]2)cc1	ZINC000020594180	178335698	/nfs/dbraw/zinc/33/56/98/178335698.db2.gz	LSCCELOTHBLNCW-UHFFFAOYSA-N	-1	1	201.229	1.328	40	0		BDABMM
Cc1ccc(C([O-])=C2C(=O)CCC2=O)cc1	ZINC000100675855	178371341	/nfs/dbraw/zinc/37/13/41/178371341.db2.gz	KIRZQEHDWOLKKU-UHFFFAOYSA-N	-1	1	216.236	1.726	40	0		BDABMM
CCCC1([C@H](C)CC)C(=O)[N-]C(=O)NC1=O	ZINC000001714785	342710747	/nfs/dbraw/zinc/71/07/47/342710747.db2.gz	SAPMNMSQUSFOAU-SSDOTTSWSA-N	-1	1	226.276	1.185	40	0		BDABMM
CN1C(=O)c2cccc3c([O-])ccc(c32)C1=O	ZINC000005248177	342760819	/nfs/dbraw/zinc/76/08/19/342760819.db2.gz	ZBAKSVLUNYPIKL-UHFFFAOYSA-N	-1	1	227.219	1.771	40	0		BDABMM
O=C(Nc1nn[n-]n1)Nc1cccc(Cl)c1	ZINC000006331184	182367902	/nfs/dbraw/zinc/36/79/02/182367902.db2.gz	NXSGVMPBWHRIPY-UHFFFAOYSA-N	-1	1	238.638	1.497	40	0		BDABMM
O[C@@H]([N-]c1ncccn1)C(Cl)(Cl)Cl	ZINC000016956313	183184860	/nfs/dbraw/zinc/18/48/60/183184860.db2.gz	KSQYNCJTIZWHFO-SCSAIBSYSA-N	-1	1	242.493	1.577	40	0		BDABMM
C/C=C(\C)C1(CCC)C(=O)[N-]C(=O)NC1=O	ZINC000001710385	383927618	/nfs/dbraw/zinc/92/76/18/383927618.db2.gz	MSRRTOILHOOSTG-FNORWQNLSA-N	-1	1	224.260	1.105	40	0		BDABMM
CN(C)c1nc(/C=C/C(=O)[O-])c2ccccn21	ZINC000218890810	386523455	/nfs/dbraw/zinc/52/34/55/386523455.db2.gz	WSVHLWIKCXWSPY-VOTSOKGWSA-N	-1	1	231.255	1.498	40	0		BDABMM
O=C1O[C@H]([P@@](=O)([O-])O)c2ccccc21	ZINC000034334276	388651581	/nfs/dbraw/zinc/65/15/81/388651581.db2.gz	FCWLIFWRJMCIAC-MRVPVSSYSA-N	-1	1	214.113	1.033	40	0		BDABMM
CCOC(=O)c1nc(-c2ccccc2F)n[n-]1	ZINC000085385829	170306248	/nfs/dbraw/zinc/30/62/48/170306248.db2.gz	BBXUHVUXSVFYNI-UHFFFAOYSA-N	-1	1	235.218	1.788	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2ccccc2F)n1	ZINC000085385829	170306250	/nfs/dbraw/zinc/30/62/50/170306250.db2.gz	BBXUHVUXSVFYNI-UHFFFAOYSA-N	-1	1	235.218	1.788	40	0		BDABMM
CCOC(=O)c1nc(-c2cccs2)n[n-]1	ZINC000082431428	170306916	/nfs/dbraw/zinc/30/69/16/170306916.db2.gz	LIEXXFOQFCNHBN-UHFFFAOYSA-N	-1	1	223.257	1.710	40	0		BDABMM
CCOC(=O)c1n[n-]c(-c2cccs2)n1	ZINC000082431428	170306918	/nfs/dbraw/zinc/30/69/18/170306918.db2.gz	LIEXXFOQFCNHBN-UHFFFAOYSA-N	-1	1	223.257	1.710	40	0		BDABMM
COc1ccc(-c2nc(N)cc(=O)[n-]2)cc1OC	ZINC000037506495	175039190	/nfs/dbraw/zinc/03/91/90/175039190.db2.gz	QIXDDRYAHOSQLX-UHFFFAOYSA-N	-1	1	247.254	1.036	40	0		BDABMM
CCC1([C@H](C)CC(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001481781	342701773	/nfs/dbraw/zinc/70/17/73/342701773.db2.gz	KXHLANWWTKSOMW-MRVPVSSYSA-N	-1	1	240.303	1.431	40	0		BDABMM
CC[C@]1(C)SC(C)(C)N[C@@H]1C(=O)[O-]	ZINC000001690113	342709483	/nfs/dbraw/zinc/70/94/83/342709483.db2.gz	GRVWFFDJJFDJJR-MUWHJKNJSA-N	-1	1	203.307	1.681	40	0		BDABMM
C/C=C/CC1(C/C=C/C)C(=O)[N-]C(=O)NC1=O	ZINC000001691384	342709490	/nfs/dbraw/zinc/70/94/90/342709490.db2.gz	OJXLDQJJHBLYOT-GGWOSOGESA-N	-1	1	236.271	1.271	40	0		BDABMM
C/C=C(\CC)C1(CC)C(=O)[N-]C(=S)NC1=O	ZINC000005031985	342756900	/nfs/dbraw/zinc/75/69/00/342756900.db2.gz	JVZPCUDAUIGZKV-QPJJXVBHSA-N	-1	1	240.328	1.270	40	0		BDABMM
C/C=C(\C)C1(CCC)C(=O)[N-]C(=S)NC1=O	ZINC000005649431	342767712	/nfs/dbraw/zinc/76/77/12/342767712.db2.gz	MCVXYOWQRCYJEE-FNORWQNLSA-N	-1	1	240.328	1.270	40	0		BDABMM
CCC1(/C(C)=C\C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000016927132	342917237	/nfs/dbraw/zinc/91/72/37/342917237.db2.gz	KWLOYSONHUJJQF-VURMDHGXSA-N	-1	1	238.287	1.351	40	0		BDABMM
Cc1ccc([O-])c(C(=O)c2cnc(N)nc2)c1	ZINC000032501274	343236592	/nfs/dbraw/zinc/23/65/92/343236592.db2.gz	FINKDBWFKQDMDI-UHFFFAOYSA-N	-1	1	229.239	1.304	40	0		BDABMM
O=C([O-])[C@H]1CS[C@@H](C2CCCC2)N1	ZINC000035572345	343298540	/nfs/dbraw/zinc/29/85/40/343298540.db2.gz	WPLZIGHQZCIPCK-SFYZADRCSA-N	-1	1	201.291	1.292	40	0		BDABMM
CSCc1cc(=O)[n-]c(SC)n1	ZINC000026506832	345812456	/nfs/dbraw/zinc/81/24/56/345812456.db2.gz	JISZMBRDNCBNJC-UHFFFAOYSA-N	-1	1	202.304	1.767	40	0		BDABMM
COc1c(CO)cccc1Oc1cnc[n-]c1=O	ZINC000685936048	538757227	/nfs/dbraw/zinc/75/72/27/538757227.db2.gz	BUXCTTFUTXYESX-UHFFFAOYSA-N	-1	1	248.238	1.475	40	0		BDABMM
CC/C=C(\C)C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000001710334	383929140	/nfs/dbraw/zinc/92/91/40/383929140.db2.gz	UAYUROFZTDZEDL-SOFGYWHQSA-N	-1	1	238.287	1.351	40	0		BDABMM
C/C=C\[C@@H](C)C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000005080864	384098584	/nfs/dbraw/zinc/09/85/84/384098584.db2.gz	PJSDNMFLJOJTPY-RPSMYOMKSA-N	-1	1	238.287	1.207	40	0		BDABMM
COCCn1c(=S)[n-]nc1C(C)C	ZINC000004993903	384095445	/nfs/dbraw/zinc/09/54/45/384095445.db2.gz	VVVQHTUYVUGBHD-UHFFFAOYSA-N	-1	1	201.295	1.710	40	0		BDABMM
C/C=C(\CC)C1(C(C)C)C(=O)[N-]C(=O)NC1=O	ZINC000016921269	384474071	/nfs/dbraw/zinc/47/40/71/384474071.db2.gz	YHVWPLGZXKWTFF-VMPITWQZSA-N	-1	1	238.287	1.351	40	0		BDABMM
Cc1ccc2c(c1)C(O)=C1C[C@@]1(C(=O)[O-])O2	ZINC000085392626	385158422	/nfs/dbraw/zinc/15/84/22/385158422.db2.gz	HRMWNGJDKOEXFD-PRHODGIISA-N	-1	1	218.208	1.413	40	0		BDABMM
O=C([O-])c1cc(OCC(F)(F)F)n[nH]1	ZINC000096510758	385247305	/nfs/dbraw/zinc/24/73/05/385247305.db2.gz	WCAIDFUKNCLGMO-UHFFFAOYSA-N	-1	1	210.111	1.049	40	0		BDABMM
COc1cc(C(=O)[O-])cc(CN(C)C)c1OC	ZINC000225723114	388842265	/nfs/dbraw/zinc/84/22/65/388842265.db2.gz	UNFQCIGKXARTAU-UHFFFAOYSA-N	-1	1	239.271	1.464	40	0		BDABMM
CCNC(=O)c1cnc(-c2ccccc2)[n-]c1=O	ZINC000019937167	170104256	/nfs/dbraw/zinc/10/42/56/170104256.db2.gz	GBNMTDBFYKRMHS-UHFFFAOYSA-N	-1	1	243.266	1.187	40	0		BDABMM
CCOC(=O)c1n[n-]c(C)c1C(=O)OCC	ZINC000003848369	170287402	/nfs/dbraw/zinc/28/74/02/170287402.db2.gz	RDPHPZHMNLCKLG-UHFFFAOYSA-N	-1	1	226.232	1.072	40	0		BDABMM
COc1ccc([C@@H]2N[N-]C(=S)S2)cc1	ZINC000000114492	175185340	/nfs/dbraw/zinc/18/53/40/175185340.db2.gz	AZJYHILTGXVMQQ-MRVPVSSYSA-N	-1	1	226.326	1.820	40	0		BDABMM
Cc1c([O-])n(C)c(=O)n(C2CCCCC2)c1=O	ZINC000005759967	176043808	/nfs/dbraw/zinc/04/38/08/176043808.db2.gz	QCLPMORXHSWOIF-MRVPVSSYSA-N	-1	1	238.287	1.376	40	0		BDABMM
COC(=O)Cc1cc(F)c([O-])cc1F	ZINC000228906759	523365735	/nfs/dbraw/zinc/36/57/35/523365735.db2.gz	QJMHCLSOZCWZCQ-UHFFFAOYSA-N	-1	1	202.156	1.386	40	0		BDABMM
CCC[C@H]1CCCCC12C(=O)[N-]C(=O)NC2=O	ZINC000001707353	342710513	/nfs/dbraw/zinc/71/05/13/342710513.db2.gz	BCQVVBFPFXLDSM-QMMMGPOBSA-N	-1	1	238.287	1.329	40	0		BDABMM
CCc1c([O-])[nH]c2cc(F)ccc2c1=O	ZINC000003945005	342739719	/nfs/dbraw/zinc/73/97/19/342739719.db2.gz	BKZCSFDKBFJSSV-UHFFFAOYSA-N	-1	1	207.204	1.935	40	0		BDABMM
CC[C@]1(CCC(C)C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000005651253	342767726	/nfs/dbraw/zinc/76/77/26/342767726.db2.gz	YWIUVCAWUTXGNE-LBPRGKRZSA-N	-1	1	240.303	1.527	40	0		BDABMM
C/C=C(/C)[C@]1(CC)C(=O)[N-]C(=O)N(C)C1=O	ZINC000016926610	342917134	/nfs/dbraw/zinc/91/71/34/342917134.db2.gz	NCVHDTCOFYKMMM-JPVGGKMYSA-N	-1	1	224.260	1.057	40	0		BDABMM
COC(=O)C(C(C)=O)=C([O-])c1cccs1	ZINC000036055714	343308002	/nfs/dbraw/zinc/30/80/02/343308002.db2.gz	ZSKFIXMFIWJQKD-MRVPVSSYSA-N	-1	1	226.253	1.309	40	0		BDABMM
O=C([O-])c1cc(=O)n(-c2ccc(F)cc2F)[nH]1	ZINC000042411232	343436370	/nfs/dbraw/zinc/43/63/70/343436370.db2.gz	ANSCYOUWDAQPGP-UHFFFAOYSA-N	-1	1	240.165	1.554	40	0		BDABMM
O=C([O-])c1cc(OC2CCCCC2)n[nH]1	ZINC000072209324	344510996	/nfs/dbraw/zinc/51/09/96/344510996.db2.gz	DEZPTLOXKDFBGC-UHFFFAOYSA-N	-1	1	210.233	1.819	40	0		BDABMM
O=C([O-])c1ccc(CNC(=O)C(F)(F)F)cc1	ZINC000020137010	347355758	/nfs/dbraw/zinc/35/57/58/347355758.db2.gz	NYYOENONPHUFDU-UHFFFAOYSA-N	-1	1	247.172	1.563	40	0		BDABMM
ClC(Cl)(Cl)C=Nc1nnn[n-]1	ZINC000005368718	348781493	/nfs/dbraw/zinc/78/14/93/348781493.db2.gz	VNDSQKJEVDSUPD-LREOWRDNSA-N	-1	1	214.443	1.272	40	0		BDABMM
ClC(Cl)(Cl)C=Nc1nn[n-]n1	ZINC000005368718	348781498	/nfs/dbraw/zinc/78/14/98/348781498.db2.gz	VNDSQKJEVDSUPD-LREOWRDNSA-N	-1	1	214.443	1.272	40	0		BDABMM
COc1cc2[nH]c([O-])cc(=O)c2cc1F	ZINC000144340000	356474908	/nfs/dbraw/zinc/47/49/08/356474908.db2.gz	AUJFZRYVJMUPOY-UHFFFAOYSA-N	-1	1	209.176	1.794	40	0		BDABMM
CCC[C@@H](C)[C@@]1(C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001634043	169373399	/nfs/dbraw/zinc/37/33/99/169373399.db2.gz	UITOSQGEGYAGQL-HQJQHLMTSA-N	-1	1	226.276	1.137	40	0		BDABMM
CCC[C@@H](C)[C@]1(C)C(=O)[N-]C(=O)N(C)C1=O	ZINC000001634045	169374293	/nfs/dbraw/zinc/37/42/93/169374293.db2.gz	UITOSQGEGYAGQL-RDDDGLTNSA-N	-1	1	226.276	1.137	40	0		BDABMM
CC(C)(C)OC(=O)NCc1ncc([O-])cn1	ZINC000091304909	384117791	/nfs/dbraw/zinc/11/77/91/384117791.db2.gz	DMMDDKUJTHCLMN-UHFFFAOYSA-N	-1	1	225.248	1.207	40	0		BDABMM
O=C([O-])CN(Cc1ccc(Cl)nn1)C1CC1	ZINC000079436010	384146778	/nfs/dbraw/zinc/14/67/78/384146778.db2.gz	QYJHDOHXBNQICN-UHFFFAOYSA-N	-1	1	241.678	1.179	40	0		BDABMM
C/C=C\CC1(C/C=C\C)C(=O)[N-]C(=O)NC1=O	ZINC000008615794	384205528	/nfs/dbraw/zinc/20/55/28/384205528.db2.gz	OJXLDQJJHBLYOT-GLIMQPGKSA-N	-1	1	236.271	1.271	40	0		BDABMM
CC[Si](C)(C)Cc1c([O-])[nH]c(=S)[nH]c1=O	ZINC000238272812	384570738	/nfs/dbraw/zinc/57/07/38/384570738.db2.gz	CCXCCVVAJCWCRJ-UHFFFAOYSA-N	-1	1	244.392	1.574	40	0		BDABMM
CCOC(=O)c1[n-]nc(Cl)c1COC	ZINC000225808296	384601367	/nfs/dbraw/zinc/60/13/67/384601367.db2.gz	PALKKICYXIXQJV-UHFFFAOYSA-N	-1	1	218.640	1.386	40	0		BDABMM
O=C([O-])Cc1ccc2nc(Cl)[nH]c2c1	ZINC000082952675	384730554	/nfs/dbraw/zinc/73/05/54/384730554.db2.gz	MEZXFGUKNRLWMG-UHFFFAOYSA-N	-1	1	210.620	1.843	40	0		BDABMM
CC(C)Cn1ncc2c1nc(Cl)[n-]c2=O	ZINC000096511389	385252663	/nfs/dbraw/zinc/25/26/63/385252663.db2.gz	LUJHIIWHOUINMZ-UHFFFAOYSA-N	-1	1	226.667	1.841	40	0		BDABMM
O=C([O-])[C@H]1Cc2nc[nH]c2[C@@H](c2ccsc2)N1	ZINC000005067450	386507447	/nfs/dbraw/zinc/50/74/47/386507447.db2.gz	PINMDTPEPNPDGO-RKDXNWHRSA-N	-1	1	249.295	1.160	40	0		BDABMM
CC(=O)c1c(C)c2c(cc1[O-])C[C@@H](O)CC2=O	ZINC000013305564	388730457	/nfs/dbraw/zinc/73/04/57/388730457.db2.gz	ODXUROYZJHIZHE-SECBINFHSA-N	-1	1	234.251	1.393	40	0	biogenic,in-vitro	BDABMM
CCC(=O)n1c([S-])nc2ccccc2c1=O	ZINC000103650332	168258463	/nfs/dbraw/zinc/25/84/63/168258463.db2.gz	UMGSZUPHJPXSHZ-UHFFFAOYSA-N	-1	1	234.280	1.735	40	0		BDABMM
CCC(=O)n1c([O-])c2ccccc2nc1=S	ZINC000103650332	168258465	/nfs/dbraw/zinc/25/84/65/168258465.db2.gz	UMGSZUPHJPXSHZ-UHFFFAOYSA-N	-1	1	234.280	1.735	40	0		BDABMM
C[C@@H]1CC=CC[C@@]12C(=O)[N-]C(=S)NC2=O	ZINC000006030737	176059609	/nfs/dbraw/zinc/05/96/09/176059609.db2.gz	NUIUTZSHXPDKMY-ZCFIWIBFSA-N	-1	1	224.285	1.330	40	0		BDABMM
C[C@@H]1CC=CC[C@]12C(=O)[N-]C(=S)NC2=O	ZINC000006030737	176059610	/nfs/dbraw/zinc/05/96/10/176059610.db2.gz	NUIUTZSHXPDKMY-ZCFIWIBFSA-N	-1	1	224.285	1.330	40	0		BDABMM
COc1cc2c(=O)cn[n-]c2cc1Cl	ZINC000225744414	522989856	/nfs/dbraw/zinc/98/98/56/522989856.db2.gz	SZCVHXQIYZSCLV-UHFFFAOYSA-N	-1	1	210.620	1.997	40	0		BDABMM