smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1oc2ccc(C)cc2c1[O-]	ZINC000110752154	398300831	/nfs/dbraw/zinc/30/08/31/398300831.db2.gz	PAVGURPVMUJLMX-UHFFFAOYSA-N	-1	1	206.197	2.233	40	0		BEABMM
O=c1[n-]c(-c2ccccc2)nc2c1CCS2	ZINC000016920418	342917242	/nfs/dbraw/zinc/91/72/42/342917242.db2.gz	PWVNGOKEJSRATH-UHFFFAOYSA-N	-1	1	230.292	2.085	40	0		BEABMM
Cc1cccc(-n2ncc3c2nc[n-]c3=S)c1	ZINC000019723894	179002365	/nfs/dbraw/zinc/00/23/65/179002365.db2.gz	FZMUBKNZHUMXCU-UHFFFAOYSA-N	-1	1	242.307	2.413	40	0		BEABMM
O=C([N-]C[C@H]1C[C@@H]2CC[C@H]1C2)C(F)(F)F	ZINC000006691893	182246323	/nfs/dbraw/zinc/24/63/23/182246323.db2.gz	FVDCYOGKIQCTKH-GJMOJQLCSA-N	-1	1	221.222	2.101	40	0		BEABMM
CCCC[C@H](CC)[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575031	169001636	/nfs/dbraw/zinc/00/16/36/169001636.db2.gz	ZKYLUEMFTTZGJI-GUBZILKMSA-N	-1	1	231.361	2.319	40	0		BEABMM
CC(=O)c1n[n-]c2ccc(Cl)cc2c1=O	ZINC000002578767	383979009	/nfs/dbraw/zinc/97/90/09/383979009.db2.gz	KNLDXICSTPRDHV-UHFFFAOYSA-N	-1	1	222.631	2.191	40	0		BEABMM
CSc1nc2c(c(=O)[n-]1)SCC2(C)C	ZINC000113465873	383986429	/nfs/dbraw/zinc/98/64/29/383986429.db2.gz	LYWKJYIWPPQUMW-UHFFFAOYSA-N	-1	1	228.342	2.287	40	0		BEABMM
Clc1ncnc2[nH]c(-c3ccco3)nc21	ZINC000096311635	384881614	/nfs/dbraw/zinc/88/16/14/384881614.db2.gz	YQGCATYFCISGAC-UHFFFAOYSA-N	-1	1	220.619	2.266	40	0		BEABMM
Clc1ncnc2[n-]c(-c3ccco3)nc21	ZINC000096311635	384881620	/nfs/dbraw/zinc/88/16/20/384881620.db2.gz	YQGCATYFCISGAC-UHFFFAOYSA-N	-1	1	220.619	2.266	40	0		BEABMM
CCOC(=O)c1cc2cc(C=O)sc2[n-]1	ZINC000001350570	170293485	/nfs/dbraw/zinc/29/34/85/170293485.db2.gz	QXSJWEIPRFFMHV-UHFFFAOYSA-N	-1	1	223.253	2.219	40	0		BEABMM
CC(C)C(=CC[P@](=O)([O-])O)C(C)C	ZINC000146867821	487678640	/nfs/dbraw/zinc/67/86/40/487678640.db2.gz	QBPVCOJPXHYHJV-UHFFFAOYSA-N	-1	1	206.222	2.403	40	0		BEABMM
O=C([O-])c1cccc2nc(-c3cccnc3)[nH]c21	ZINC000062136942	187322978	/nfs/dbraw/zinc/32/29/78/187322978.db2.gz	JORAKCUOJBWTKP-UHFFFAOYSA-N	-1	1	239.234	2.323	40	0		BEABMM
CCOc1nc(Cl)nc2nc(Cl)[n-]c21	ZINC000004430282	342747891	/nfs/dbraw/zinc/74/78/91/342747891.db2.gz	CREJETOQUHDSGI-UHFFFAOYSA-N	-1	1	233.058	2.058	40	0		BEABMM
CCOc1nc(Cl)[n-]c2nc(Cl)nc1-2	ZINC000004430282	342747892	/nfs/dbraw/zinc/74/78/92/342747892.db2.gz	CREJETOQUHDSGI-UHFFFAOYSA-N	-1	1	233.058	2.058	40	0		BEABMM
CCOc1nc(Cl)nc2[n-]c(Cl)nc21	ZINC000004430282	342747893	/nfs/dbraw/zinc/74/78/93/342747893.db2.gz	CREJETOQUHDSGI-UHFFFAOYSA-N	-1	1	233.058	2.058	40	0		BEABMM
CCCCCCc1c([O-])[nH]c(=S)[nH]c1=O	ZINC000005080704	342757799	/nfs/dbraw/zinc/75/77/99/342757799.db2.gz	UPNHKBQCEQGRQG-UHFFFAOYSA-N	-1	1	228.317	2.261	40	0		BEABMM
Cc1c(Cl)ccc2c(N)c(C(=O)[O-])cnc12	ZINC000040165619	342959209	/nfs/dbraw/zinc/95/92/09/342959209.db2.gz	AIJZTMZWOAEJKO-UHFFFAOYSA-N	-1	1	236.658	2.477	40	0		BEABMM
[O-]c1coc2c1cc(F)cc2Br	ZINC000035652510	343301256	/nfs/dbraw/zinc/30/12/56/343301256.db2.gz	JWXQMWXGZMDXGI-UHFFFAOYSA-N	-1	1	231.020	2.163	40	0		BEABMM
CC(C)N(CC(=O)[O-])Cc1ccsc1	ZINC000037994738	187262333	/nfs/dbraw/zinc/26/23/33/187262333.db2.gz	SWWQIKIOAOKRBF-UHFFFAOYSA-N	-1	1	213.302	2.043	40	0		BEABMM
O=C([O-])c1cccc2nc(-c3ccccn3)[nH]c21	ZINC000035962973	344081010	/nfs/dbraw/zinc/08/10/10/344081010.db2.gz	ORKPQHISLNQQGP-UHFFFAOYSA-N	-1	1	239.234	2.323	40	0		BEABMM
CCc1c([O-])[nH]c2cc(Cl)ccc2c1=O	ZINC000002557564	537854007	/nfs/dbraw/zinc/85/40/07/537854007.db2.gz	DWLYXFDJRCFUND-UHFFFAOYSA-N	-1	1	223.659	2.450	40	0		BEABMM
FC(F)(F)c1nc2nc[nH]c(=S)c2[n-]1	ZINC000307469311	345796870	/nfs/dbraw/zinc/79/68/70/345796870.db2.gz	NANLNJJKSCDHSF-UHFFFAOYSA-N	-1	1	220.179	2.034	40	0		BEABMM
Cc1nn(-c2ccccn2)c(C)c1[S-]	ZINC000095095576	180330803	/nfs/dbraw/zinc/33/08/03/180330803.db2.gz	JPCKPYZXECWZLE-UHFFFAOYSA-N	-1	1	205.286	2.173	40	0		BEABMM
Cc1ccc(Cc2n[nH]c(=S)[n-]c2=O)cc1	ZINC000032604263	350427944	/nfs/dbraw/zinc/42/79/44/350427944.db2.gz	SJJVYWQIVKZVMX-UHFFFAOYSA-N	-1	1	233.296	2.139	40	0		BEABMM
Cc1ccc(Cl)c2c(=O)c(C(=O)[O-])c[nH]c12	ZINC000005988385	351360305	/nfs/dbraw/zinc/36/03/05/351360305.db2.gz	ODWHMFQIJMCAAU-UHFFFAOYSA-N	-1	1	237.642	2.188	40	0		BEABMM
Cc1ccc(Cl)c2c(=O)c(C(=O)O)c[n-]c12	ZINC000005988385	351360308	/nfs/dbraw/zinc/36/03/08/351360308.db2.gz	ODWHMFQIJMCAAU-UHFFFAOYSA-N	-1	1	237.642	2.188	40	0		BEABMM
Cc1n[n-]c(=S)n1NCc1ccccc1F	ZINC000007601249	384987138	/nfs/dbraw/zinc/98/71/38/384987138.db2.gz	AKLMOZHCNLFPFY-UHFFFAOYSA-N	-1	1	238.291	2.132	40	0		BEABMM
O=Cc1cc(F)c(Br)cc1[O-]	ZINC000213238258	398018138	/nfs/dbraw/zinc/01/81/38/398018138.db2.gz	KZXYTQOZAFEXTM-UHFFFAOYSA-N	-1	1	219.009	2.106	40	0		BEABMM
COC(=O)c1ccc(F)c(Br)c1[O-]	ZINC000258834203	398131575	/nfs/dbraw/zinc/13/15/75/398131575.db2.gz	OPPZZPZHYUKTCV-UHFFFAOYSA-N	-1	1	249.035	2.080	40	0		BEABMM
CCOC(=O)c1cc(Cl)c([O-])c(OC)c1	ZINC000033636998	170292339	/nfs/dbraw/zinc/29/23/39/170292339.db2.gz	JSMDCMPQIMLIOO-UHFFFAOYSA-N	-1	1	230.647	2.231	40	0		BEABMM
O=c1cc([O-])[nH]c2cc(C(F)(F)F)ccc12	ZINC000028707377	343131643	/nfs/dbraw/zinc/13/16/43/343131643.db2.gz	FISQRWQWLJBJJA-UHFFFAOYSA-N	-1	1	229.157	2.253	40	0		BEABMM
Fc1cccc(-n2ncc3c2nc[n-]c3=S)c1	ZINC000019723928	347021696	/nfs/dbraw/zinc/02/16/96/347021696.db2.gz	CLLJXNYHYIEGSP-UHFFFAOYSA-N	-1	1	246.270	2.243	40	0		BEABMM
CCOc1cccc2c(=O)cc([O-])[nH]c12	ZINC000257198211	344239942	/nfs/dbraw/zinc/23/99/42/344239942.db2.gz	WHBOWYHHTFZGJR-UHFFFAOYSA-N	-1	1	205.213	2.045	40	0		BEABMM
CCc1c([O-])[nH]c2ccc(Cl)cc2c1=O	ZINC000003945004	537972772	/nfs/dbraw/zinc/97/27/72/537972772.db2.gz	AMILEYBESAKOQP-UHFFFAOYSA-N	-1	1	223.659	2.450	40	0		BEABMM
Cc1ccc2nc(SCCC(=O)[O-])[nH]c2c1	ZINC000004386203	346598732	/nfs/dbraw/zinc/59/87/32/346598732.db2.gz	HROBEYNHINXGGT-UHFFFAOYSA-N	-1	1	236.296	2.438	40	0		BEABMM
COc1cc(C=O)cc(CSC)c1[O-]	ZINC000026479394	347602410	/nfs/dbraw/zinc/60/24/10/347602410.db2.gz	FNQASCTUIUWBCR-UHFFFAOYSA-N	-1	1	212.270	2.076	40	0		BEABMM
CC(=O)C(SC(F)(F)Cl)=C(C)[O-]	ZINC000100041291	191062026	/nfs/dbraw/zinc/06/20/26/191062026.db2.gz	LVRPCCNXPLRVFI-UHFFFAOYSA-N	-1	1	216.636	2.055	40	0		BEABMM
O=C([O-])C1CCN(Cc2ccc(F)s2)CC1	ZINC000071792072	384179570	/nfs/dbraw/zinc/17/95/70/384179570.db2.gz	DVHZJJKPKBPDKK-UHFFFAOYSA-N	-1	1	243.303	2.184	40	0		BEABMM
N[C@H](C(=O)[O-])c1c(F)ccc(Cl)c1Cl	ZINC000199809136	388654823	/nfs/dbraw/zinc/65/48/23/388654823.db2.gz	BYZDJCVTQYXVHJ-ZETCQYMHSA-N	-1	1	238.045	2.217	40	0		BEABMM
COc1ccc(-c2n[n-]c(=S)n2C)cc1F	ZINC000077384528	175038047	/nfs/dbraw/zinc/03/80/47/175038047.db2.gz	VTDYPYIUZWRHAK-UHFFFAOYSA-N	-1	1	239.275	2.292	40	0		BEABMM
Cc1noc2c1C=C([O-])c1ccccc1OC2	ZINC000001613439	342705875	/nfs/dbraw/zinc/70/58/75/342705875.db2.gz	ZNASYAWUXVEESX-UHFFFAOYSA-N	-1	1	229.235	2.301	40	0		BEABMM
CCCC[C@@H](CC)[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575029	342766445	/nfs/dbraw/zinc/76/64/45/342766445.db2.gz	ZKYLUEMFTTZGJI-UTLUCORTSA-N	-1	1	231.361	2.319	40	0		BEABMM
O=C1[N-]C(=O)[C@H](Cc2cccc(Cl)c2)S1	ZINC000218823522	398328586	/nfs/dbraw/zinc/32/85/86/398328586.db2.gz	XALZJPMVXSKUDB-QMMMGPOBSA-N	-1	1	241.699	2.234	40	0		BEABMM
O=C1[N-]C(=O)[C@@H](Cc2ccccc2Cl)S1	ZINC000218823413	398328658	/nfs/dbraw/zinc/32/86/58/398328658.db2.gz	XVCYNLJGTGQREY-MRVPVSSYSA-N	-1	1	241.699	2.234	40	0		BEABMM
Cc1ncc(C(=O)[O-])n1[C@H](C)c1ccccc1	ZINC000001732545	180135215	/nfs/dbraw/zinc/13/52/15/180135215.db2.gz	BFSWOODTTDXMRA-SECBINFHSA-N	-1	1	230.267	2.499	40	0		BEABMM
S=c1[nH][n-]nc1-c1cccc(Cl)c1	ZINC000005731017	188277776	/nfs/dbraw/zinc/27/77/76/188277776.db2.gz	QMUGBHLVKYNQQP-UHFFFAOYSA-N	-1	1	211.677	2.414	40	0		BEABMM
O=C([O-])C1(NCc2ccco2)CCCCC1	ZINC000008698562	384209095	/nfs/dbraw/zinc/20/90/95/384209095.db2.gz	MKLKQNWMADXLGP-UHFFFAOYSA-N	-1	1	223.272	2.157	40	0		BEABMM
COC(=O)c1cc2ccsc2c([O-])c1	ZINC000215424522	384433942	/nfs/dbraw/zinc/43/39/42/384433942.db2.gz	BAUPXKYYZZTLHF-UHFFFAOYSA-N	-1	1	208.238	2.394	40	0		BEABMM
O=C([O-])[C@H](c1c(F)cccc1F)N1CCCC1	ZINC000037360193	386197214	/nfs/dbraw/zinc/19/72/14/386197214.db2.gz	AZMKQCBJJOPXLY-NSHDSACASA-N	-1	1	241.237	2.186	40	0		BEABMM
Nc1cc([O-])c(Cl)cc1Br	ZINC000115230916	388693980	/nfs/dbraw/zinc/69/39/80/388693980.db2.gz	AHVAEBUVWFXKIV-UHFFFAOYSA-N	-1	1	222.469	2.390	40	0		BEABMM
CCOC(=O)C[C@H]1CCc2cc([O-])ccc2C1=O	ZINC000034142713	170234584	/nfs/dbraw/zinc/23/45/84/170234584.db2.gz	PJONVIXORDDEGG-SNVBAGLBSA-N	-1	1	248.278	2.091	40	0		BEABMM
CCOc1ccc(-c2cc(=O)o[n-]2)cc1	ZINC000071976613	170531154	/nfs/dbraw/zinc/53/11/54/170531154.db2.gz	OGZDUQCRYLVJFT-UHFFFAOYSA-N	-1	1	205.213	2.446	40	0		BEABMM
COc1ccccc1Nc1ncc(C)c(=O)[n-]1	ZINC000408980679	175340205	/nfs/dbraw/zinc/34/02/05/175340205.db2.gz	SFXXTVNWZJCROI-UHFFFAOYSA-N	-1	1	231.255	2.243	40	0		BEABMM
Cn1c(=S)[n-]nc1-c1cccnc1Cl	ZINC000228928266	527040382	/nfs/dbraw/zinc/04/03/82/527040382.db2.gz	DJRFNGJOJRNIBU-UHFFFAOYSA-N	-1	1	226.692	2.193	40	0		BEABMM
O=c1cc([O-])cc(CCc2ccccc2)o1	ZINC000002599143	342725963	/nfs/dbraw/zinc/72/59/63/342725963.db2.gz	LRLHYVOJDHICAU-UHFFFAOYSA-N	-1	1	216.236	2.131	40	0		BEABMM
CC(=O)c1c([O-])nc2cc(C)ccn2c1=S	ZINC000008955160	398306933	/nfs/dbraw/zinc/30/69/33/398306933.db2.gz	RFMVHAWUXZOIQK-UHFFFAOYSA-N	-1	1	234.280	2.280	40	0		BEABMM
CCOc1ccc(/C=C/C(=O)[O-])cc1CN(C)C	ZINC000083292355	259336679	/nfs/dbraw/zinc/33/66/79/259336679.db2.gz	AHENHTSYWMUMEB-SOFGYWHQSA-N	-1	1	249.310	2.245	40	0		BEABMM
O=C([O-])c1cccc2nc(C(F)(F)F)[nH]c21	ZINC000004102937	187299854	/nfs/dbraw/zinc/29/98/54/187299854.db2.gz	HYGKNIWVMZCKJL-UHFFFAOYSA-N	-1	1	230.145	2.280	40	0		BEABMM
O=C([N-]C1C2CC3CC(C2)CC1C3)C(F)(F)F	ZINC000001509115	182093080	/nfs/dbraw/zinc/09/30/80/182093080.db2.gz	RNQNAVNYZPAYBC-UHFFFAOYSA-N	-1	1	247.260	2.490	40	0		BEABMM
CSC(=N)Nc1ccc(C(=O)[O-])cc1	ZINC000006485234	384154762	/nfs/dbraw/zinc/15/47/62/384154762.db2.gz	FSYMKVXVDOXXDR-UHFFFAOYSA-N	-1	1	210.258	2.094	40	0		BEABMM
O=C([O-])[C@@H](c1c(F)cccc1F)N1CCCC1	ZINC000037360196	386197281	/nfs/dbraw/zinc/19/72/81/386197281.db2.gz	AZMKQCBJJOPXLY-LLVKDONJSA-N	-1	1	241.237	2.186	40	0		BEABMM
Cc1n[n-]c(=S)n1NCc1ccc(F)cc1	ZINC000018202883	388653340	/nfs/dbraw/zinc/65/33/40/388653340.db2.gz	WUFZQAVDLYCKHA-UHFFFAOYSA-N	-1	1	238.291	2.132	40	0		BEABMM
O=C([O-])CCc1nc(C2CC2)n2ccccc12	ZINC000011569879	388706299	/nfs/dbraw/zinc/70/62/99/388706299.db2.gz	LTNAJDSVLRDZBE-UHFFFAOYSA-N	-1	1	230.267	2.229	40	0		BEABMM
COc1ccc(-c2cc(=O)o[n-]2)cc1OC	ZINC000071976577	175032115	/nfs/dbraw/zinc/03/21/15/175032115.db2.gz	YJWKQOCCSRFZCX-UHFFFAOYSA-N	-1	1	221.212	2.064	40	0		BEABMM
CNc1ccc(-c2n[n-]c(=S)n2C)cc1	ZINC000228919554	522577798	/nfs/dbraw/zinc/57/77/98/522577798.db2.gz	LLPBPKIHQWOMTD-UHFFFAOYSA-N	-1	1	220.301	2.186	40	0		BEABMM
CCc1cc(=O)n(-c2cccc(F)c2)[n-]1	ZINC000100406995	398248838	/nfs/dbraw/zinc/24/88/38/398248838.db2.gz	ASLHEDSDQHVQRG-UHFFFAOYSA-N	-1	1	206.220	2.328	40	0		BEABMM
O=C1[N-]C(=O)[C@H](Cc2ccccc2Cl)S1	ZINC000218823345	398328524	/nfs/dbraw/zinc/32/85/24/398328524.db2.gz	XVCYNLJGTGQREY-QMMMGPOBSA-N	-1	1	241.699	2.234	40	0		BEABMM
O=C([O-])c1c[nH]c2nccc(C(F)(F)F)c12	ZINC000044700133	343008879	/nfs/dbraw/zinc/00/88/79/343008879.db2.gz	QMWGGTKYEPMYDB-UHFFFAOYSA-N	-1	1	230.145	2.280	40	0		BEABMM
O=C1[N-]C(=S)C(=CNc2nccs2)S1	ZINC000618255260	356469628	/nfs/dbraw/zinc/46/96/28/356469628.db2.gz	UINWIJPSGNVRSG-ARJAWSKDSA-N	-1	1	243.338	2.180	40	0		BEABMM
CSc1nc(Cl)c2nc(Cl)nc-2[n-]1	ZINC000008496800	359682397	/nfs/dbraw/zinc/68/23/97/359682397.db2.gz	HCDIZFGKFJHVDP-UHFFFAOYSA-N	-1	1	235.099	2.382	40	0		BEABMM
CSc1nc2nc(Cl)[n-]c2c(Cl)n1	ZINC000008496800	359682399	/nfs/dbraw/zinc/68/23/99/359682399.db2.gz	HCDIZFGKFJHVDP-UHFFFAOYSA-N	-1	1	235.099	2.382	40	0		BEABMM
CSc1nc2[n-]c(Cl)nc2c(Cl)n1	ZINC000008496800	359682403	/nfs/dbraw/zinc/68/24/03/359682403.db2.gz	HCDIZFGKFJHVDP-UHFFFAOYSA-N	-1	1	235.099	2.382	40	0		BEABMM
CC[NH+]1CCN(Cc2ccccc2[S-])CC1	ZINC000095738737	371338684	/nfs/dbraw/zinc/33/86/84/371338684.db2.gz	UGWYSMVXZKSMLD-UHFFFAOYSA-N	-1	1	236.384	2.113	40	0		BEABMM
O=C([O-])[C@@H]1CCCN(Cc2ccc(F)s2)C1	ZINC000071792032	384180252	/nfs/dbraw/zinc/18/02/52/384180252.db2.gz	OSHBYUMQZAKDMY-MRVPVSSYSA-N	-1	1	243.303	2.184	40	0		BEABMM
CCc1n[n-]c(=S)n1NCc1ccsc1	ZINC000008339442	384199823	/nfs/dbraw/zinc/19/98/23/384199823.db2.gz	HLMGBPBNBTYQER-UHFFFAOYSA-N	-1	1	240.357	2.308	40	0		BEABMM
O=Cc1cc(Cl)c2cccnc2c1[O-]	ZINC000207365383	385018743	/nfs/dbraw/zinc/01/87/43/385018743.db2.gz	SXMCPJRWVHXHKP-UHFFFAOYSA-N	-1	1	207.616	2.406	40	0		BEABMM
CCOc1cc([O-])c(C=O)cc1Br	ZINC000072219736	385106748	/nfs/dbraw/zinc/10/67/48/385106748.db2.gz	PWYAZNCTWAVJDP-UHFFFAOYSA-N	-1	1	245.072	2.366	40	0		BEABMM
CCCCCSc1nc(OC)cc(=O)[n-]1	ZINC000059417360	386479794	/nfs/dbraw/zinc/47/97/94/386479794.db2.gz	DVVIQUPQVVGWFS-UHFFFAOYSA-N	-1	1	228.317	2.061	40	0		BEABMM
COc1cccc(Nc2ncc(C)c(=O)[n-]2)c1	ZINC000408982435	175280409	/nfs/dbraw/zinc/28/04/09/175280409.db2.gz	XWAZFIRQVGOSAC-UHFFFAOYSA-N	-1	1	231.255	2.243	40	0		BEABMM
C[C@H](Cc1ccccc1)CC(C(=O)[O-])C(=O)O	ZINC000006443135	176723288	/nfs/dbraw/zinc/72/32/88/176723288.db2.gz	YSGQEYOCSNLLIB-SECBINFHSA-N	-1	1	236.267	2.041	40	0		BEABMM
Cc1n[n-]c(=S)n1NCc1cccs1	ZINC000017744278	526481298	/nfs/dbraw/zinc/48/12/98/526481298.db2.gz	QWQBBLHACLYYAD-UHFFFAOYSA-N	-1	1	226.330	2.054	40	0		BEABMM
Cc1ccc(CN(CC(=O)[O-])CC(C)C)o1	ZINC000062743356	635462403	/nfs/dbraw/zinc/46/24/03/635462403.db2.gz	LCOQLGOKHHTXQD-UHFFFAOYSA-N	-1	1	225.288	2.131	40	0		BEABMM
CC(=O)c1c(O)cc([O-])c2c1OC(C)(C)C=C2	ZINC000013306075	1166622113	/nfs/dbraw/zinc/62/21/13/1166622113.db2.gz	QAOBSFBJMSLLGM-UHFFFAOYSA-N	-1	1	234.251	2.485	40	0		BEABMM
CCCCCSc1nc(C)cc(=O)[n-]1	ZINC000012649711	346905372	/nfs/dbraw/zinc/90/53/72/346905372.db2.gz	YMFAUNHOMXJMSF-UHFFFAOYSA-N	-1	1	212.318	2.361	40	0		BEABMM
O=c1cc([O-])[nH]c2c1cccc2C(F)(F)F	ZINC000028707375	343131537	/nfs/dbraw/zinc/13/15/37/343131537.db2.gz	WXNKDTMOZSFSAB-UHFFFAOYSA-N	-1	1	229.157	2.253	40	0		BEABMM
Cc1ccccc1CCCC(C(=O)[O-])C(=O)O	ZINC000001594140	179262542	/nfs/dbraw/zinc/26/25/42/179262542.db2.gz	HHLGHPPSEJBLIB-UHFFFAOYSA-N	-1	1	236.267	2.103	40	0		BEABMM
Nc1cc(Br)c([O-])c2ncccc12	ZINC000022124269	350877420	/nfs/dbraw/zinc/87/74/20/350877420.db2.gz	LVXDEZWLWGDSJA-UHFFFAOYSA-N	-1	1	239.072	2.285	40	0		BEABMM
O=c1ccc2c[nH][n-]c-2c1Br	ZINC000079565709	183284481	/nfs/dbraw/zinc/28/44/81/183284481.db2.gz	AGURCNORFYROIG-UHFFFAOYSA-N	-1	1	213.034	2.031	40	0		BEABMM
S=c1[n-]ncn1NCc1cccc(Cl)c1	ZINC000007601223	183314184	/nfs/dbraw/zinc/31/41/84/183314184.db2.gz	XCXYQXOQBNBQRT-UHFFFAOYSA-N	-1	1	240.719	2.338	40	0		BEABMM
CC(=O)c1oc2cccc([O-])c2c(=O)c1C	ZINC000001690862	383922431	/nfs/dbraw/zinc/92/24/31/383922431.db2.gz	IWWWUHHRDUWBLP-UHFFFAOYSA-N	-1	1	218.208	2.010	40	0		BEABMM
CC(=O)c1cccc([O-])c1Br	ZINC000002525564	383971268	/nfs/dbraw/zinc/97/12/68/383971268.db2.gz	SAPAONJSPUUHTQ-UHFFFAOYSA-N	-1	1	215.046	2.357	40	0		BEABMM
[O-]c1cc(F)ccc1I	ZINC000095712388	384391212	/nfs/dbraw/zinc/39/12/12/384391212.db2.gz	DZXUERYVERNFQU-UHFFFAOYSA-N	-1	1	237.999	2.136	40	0		BEABMM
O=C([O-])CCc1ccc2nc(Cl)[nH]c2c1	ZINC000217773054	388572962	/nfs/dbraw/zinc/57/29/62/388572962.db2.gz	FQVVBDWAOYRCKV-UHFFFAOYSA-N	-1	1	224.647	2.234	40	0		BEABMM
CO[S@@](=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000006403300	174917014	/nfs/dbraw/zinc/91/70/14/174917014.db2.gz	WRSNHYQWUHHFLB-ZDUSSCGKSA-N	-1	1	241.095	2.368	40	0		BEABMM
COc1ccc(-c2ccnc(C)n2)c([O-])c1	ZINC000032501259	175035266	/nfs/dbraw/zinc/03/52/66/175035266.db2.gz	MBWXBWKFQVZDOU-UHFFFAOYSA-N	-1	1	216.240	2.166	40	0		BEABMM
O=Cc1cc(-c2cccnc2F)ccc1[O-]	ZINC000096312830	343669751	/nfs/dbraw/zinc/66/97/51/343669751.db2.gz	GQHRGCQTOCXABA-UHFFFAOYSA-N	-1	1	217.199	2.406	40	0		BEABMM
Cc1ccccc1Nc1nc(N)[n-]c(=O)c1N=O	ZINC000017315237	179308148	/nfs/dbraw/zinc/30/81/48/179308148.db2.gz	FTBNJWZVDJCZKP-UHFFFAOYSA-N	-1	1	245.242	2.214	40	0		BEABMM
COc1cc2[nH]c([O-])cc(=O)c2cc1Cl	ZINC000257197956	370683798	/nfs/dbraw/zinc/68/37/98/370683798.db2.gz	OSPZQBWDCNFJIV-UHFFFAOYSA-N	-1	1	225.631	2.308	40	0		BEABMM
CSC(=S)[N-]CCc1ccccc1	ZINC000002018564	383943045	/nfs/dbraw/zinc/94/30/45/383943045.db2.gz	CHQKWKSZGCZEQE-UHFFFAOYSA-N	-1	1	211.355	2.467	40	0		BEABMM
CC(=O)c1ccc(-c2n[n-]c(=S)n2C)cc1	ZINC000199735602	388654760	/nfs/dbraw/zinc/65/47/60/388654760.db2.gz	QZIRTNXGKVFRHH-UHFFFAOYSA-N	-1	1	233.296	2.347	40	0		BEABMM
O=c1[nH]c(=S)[nH]c([O-])c1C1CCCCC1	ZINC000037868483	487591124	/nfs/dbraw/zinc/59/11/24/487591124.db2.gz	OQWQBUPZNSXJJS-UHFFFAOYSA-N	-1	1	226.301	2.186	40	0		BEABMM
CCOC(=O)NC(=S)[N-]c1cccs1	ZINC000005829990	170241328	/nfs/dbraw/zinc/24/13/28/170241328.db2.gz	PIHPCNNYUWMVOY-UHFFFAOYSA-N	-1	1	230.314	2.191	40	0		BEABMM
O=C([O-])c1cccc2nc(-c3ccncc3)[nH]c21	ZINC000006740852	342781946	/nfs/dbraw/zinc/78/19/46/342781946.db2.gz	PWMIUJKAAICMHR-UHFFFAOYSA-N	-1	1	239.234	2.323	40	0		BEABMM
Cc1ccc(Nc2nc(N)[n-]c(=O)c2N=O)cc1	ZINC000013154299	342864859	/nfs/dbraw/zinc/86/48/59/342864859.db2.gz	WYINDNYBKUAHRK-UHFFFAOYSA-N	-1	1	245.242	2.214	40	0		BEABMM
O=C1NC(=O)C(c2c[nH]c3c2cccc3F)=C1[O-]	ZINC000071257754	343643885	/nfs/dbraw/zinc/64/38/85/343643885.db2.gz	WNQZGYVOZMIVQT-UHFFFAOYSA-N	-1	1	246.197	2.073	40	0		BEABMM
O=c1[n-]c(-c2ccccn2)ncc1-c1ccccc1	ZINC000096311271	347278826	/nfs/dbraw/zinc/27/88/26/347278826.db2.gz	SQZBPCDPLHHRDL-UHFFFAOYSA-N	-1	1	249.273	2.499	40	0		BEABMM
O=C1CCc2cc(Br)c([O-])cc21	ZINC000038524688	350317156	/nfs/dbraw/zinc/31/71/56/350317156.db2.gz	XKGAEEAGMAAAJE-UHFFFAOYSA-N	-1	1	227.057	2.284	40	0		BEABMM
Fc1ccccc1-n1ncc2c1nc[n-]c2=S	ZINC000019723905	181010027	/nfs/dbraw/zinc/01/00/27/181010027.db2.gz	YRINEDRSEBWEQJ-UHFFFAOYSA-N	-1	1	246.270	2.243	40	0		BEABMM
CC1CC(=O)C(=C([O-])c2ccccc2)C(=O)C1	ZINC000101000000	368338777	/nfs/dbraw/zinc/33/87/77/368338777.db2.gz	PNHSZWIEAUFLLM-UHFFFAOYSA-N	-1	1	230.263	2.054	40	0		BEABMM
CCCCn1c(=O)[n-]c(Cl)c(Cl)c1=O	ZINC000096524093	169034702	/nfs/dbraw/zinc/03/47/02/169034702.db2.gz	JXYWPWHQOWWKMI-UHFFFAOYSA-N	-1	1	237.086	2.056	40	0		BEABMM
CC(C)(O)CC([O-])(C(F)(F)F)C(F)(F)F	ZINC000001623550	383916175	/nfs/dbraw/zinc/91/61/75/383916175.db2.gz	BXXMNESHOLNUNS-UHFFFAOYSA-N	-1	1	240.143	2.003	40	0		BEABMM
COC(=O)c1ccc([O-])c(-c2cscn2)c1	ZINC000085390073	385150141	/nfs/dbraw/zinc/15/01/41/385150141.db2.gz	AUPNSYSQPMMBHR-UHFFFAOYSA-N	-1	1	235.264	2.302	40	0		BEABMM
CNc1ccccc1-c1n[n-]c(=S)n1C	ZINC000228927382	522654741	/nfs/dbraw/zinc/65/47/41/522654741.db2.gz	FNDJBWFYESLRDZ-UHFFFAOYSA-N	-1	1	220.301	2.186	40	0		BEABMM
Cc1ccc(C=C2SC(=O)[N-]C2=O)s1	ZINC000012577542	136208196	/nfs/dbraw/zinc/20/81/96/136208196.db2.gz	BWOSUTDBERISKX-DAXSKMNVSA-N	-1	1	225.294	2.380	40	0		BEABMM
O=C([O-])c1cc(O)c(F)c(F)c1Cl	ZINC000022002394	343033549	/nfs/dbraw/zinc/03/35/49/343033549.db2.gz	RDEXVHHMCRELKV-UHFFFAOYSA-N	-1	1	208.547	2.022	40	0		BEABMM
CCN(CC(=O)[O-])Cc1c(F)cccc1Cl	ZINC000032102294	343292061	/nfs/dbraw/zinc/29/20/61/343292061.db2.gz	PWEKLSDRKXKALK-UHFFFAOYSA-N	-1	1	245.681	2.386	40	0		BEABMM
Cc1cc2[nH]c3nc(=S)[n-]nc3c2c(C)c1	ZINC000013534208	346951402	/nfs/dbraw/zinc/95/14/02/346951402.db2.gz	NKLOOHRELRMKAI-UHFFFAOYSA-N	-1	1	230.296	2.412	40	0		BEABMM
O=C([O-])C[C@H](C=C(O)c1ccc[nH]1)C(F)(F)F	ZINC000256052589	344145585	/nfs/dbraw/zinc/14/55/85/344145585.db2.gz	NXXXGCHVPSSGSE-LURJTMIESA-N	-1	1	249.188	2.241	40	0		BEABMM
Cc1n[n-]c(=S)n1NCc1ccccc1C	ZINC000007601252	179286303	/nfs/dbraw/zinc/28/63/03/179286303.db2.gz	XUWQIIKYRWJEQJ-UHFFFAOYSA-N	-1	1	234.328	2.301	40	0		BEABMM
COc1ccc(C(C)=O)c([O-])c1Cl	ZINC000001687864	538047213	/nfs/dbraw/zinc/04/72/13/538047213.db2.gz	OEMBNCDQWQVSPG-UHFFFAOYSA-N	-1	1	200.621	2.257	40	0		BEABMM
CSc1ncc(-c2ccccc2)c(=O)[n-]1	ZINC000034595071	350472268	/nfs/dbraw/zinc/47/22/68/350472268.db2.gz	DZXDCBAYZIHWGI-UHFFFAOYSA-N	-1	1	218.281	2.159	40	0		BEABMM
S=c1[n-]ncn1NCc1ccccc1Cl	ZINC000007601221	183315014	/nfs/dbraw/zinc/31/50/14/183315014.db2.gz	CKJIXHNXILZJRG-UHFFFAOYSA-N	-1	1	240.719	2.338	40	0		BEABMM
CCOc1cc([O-])c(C=O)cc1Cl	ZINC000072219729	385106958	/nfs/dbraw/zinc/10/69/58/385106958.db2.gz	VKFGNGYLZNNQST-UHFFFAOYSA-N	-1	1	200.621	2.257	40	0		BEABMM
COC(=O)c1ccc(C(F)(F)F)c([O-])c1	ZINC000034468999	490331523	/nfs/dbraw/zinc/33/15/23/490331523.db2.gz	UJBJCCNJDGUZFA-UHFFFAOYSA-N	-1	1	220.146	2.198	40	0		BEABMM
O=c1cn[n-]c2c(Cl)c(Cl)ccc12	ZINC000149706657	527493237	/nfs/dbraw/zinc/49/32/37/527493237.db2.gz	PJGASYOVELOPJH-UHFFFAOYSA-N	-1	1	215.039	2.230	40	0		BEABMM
Cc1cc(=O)[n-]c(SC(=O)C(C)(C)C)n1	ZINC000016283663	178204223	/nfs/dbraw/zinc/20/42/23/178204223.db2.gz	SANAVJLELRMVTF-UHFFFAOYSA-N	-1	1	226.301	2.155	40	0		BEABMM
Cc1ccc(-c2nc3nccnc3c(=O)[n-]2)cc1	ZINC000071255920	178335877	/nfs/dbraw/zinc/33/58/77/178335877.db2.gz	NEWUJTGSJHUANZ-UHFFFAOYSA-N	-1	1	238.250	2.101	40	0		BEABMM
Cc1c2ccccc2sc1-c1nn[n-]n1	ZINC000000172484	342679225	/nfs/dbraw/zinc/67/92/25/342679225.db2.gz	VKUBQHJCJJQUFE-UHFFFAOYSA-N	-1	1	216.269	2.390	40	0		BEABMM
Cc1ccc(CNn2cn[n-]c2=S)s1	ZINC000005969522	362876118	/nfs/dbraw/zinc/87/61/18/362876118.db2.gz	BNDVOTZTVZDKJN-UHFFFAOYSA-N	-1	1	226.330	2.054	40	0		BEABMM
S=c1[n-]ncn1NC/C=C/c1ccccc1	ZINC000006889625	356627606	/nfs/dbraw/zinc/62/76/06/356627606.db2.gz	JVXHZIHPLFXMDQ-QPJJXVBHSA-N	-1	1	232.312	2.198	40	0		BEABMM
CCN1CC[NH+](Cc2ccc([S-])cc2)CC1	ZINC000095738734	371338473	/nfs/dbraw/zinc/33/84/73/371338473.db2.gz	HHLKCJPUYZAYGB-UHFFFAOYSA-N	-1	1	236.384	2.113	40	0		BEABMM
O=C(Nc1cccc(CO)c1)c1ccccc1[O-]	ZINC000037980239	182368318	/nfs/dbraw/zinc/36/83/18/182368318.db2.gz	AREDUNGZIXAWFS-UHFFFAOYSA-N	-1	1	243.262	2.137	40	0		BEABMM
[O-]c1coc2c1ccc(Br)c2F	ZINC000098210848	182769084	/nfs/dbraw/zinc/76/90/84/182769084.db2.gz	CDJGWJMVPZKFPN-UHFFFAOYSA-N	-1	1	231.020	2.163	40	0		BEABMM
CCCC[C@H](CC)[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000001567147	169001671	/nfs/dbraw/zinc/00/16/71/169001671.db2.gz	ZKYLUEMFTTZGJI-LPEHRKFASA-N	-1	1	231.361	2.319	40	0		BEABMM
[O-]c1ccc2ccc(O)c3[nH]cnc1c23	ZINC000003844584	183285167	/nfs/dbraw/zinc/28/51/67/183285167.db2.gz	UQCXZXIMIRKBJR-UHFFFAOYSA-N	-1	1	200.197	2.127	40	0		BEABMM
CCCCOCC(=O)c1ccc([O-])cc1O	ZINC000001640984	383916374	/nfs/dbraw/zinc/91/63/74/383916374.db2.gz	JQAJQDOURDCSQT-UHFFFAOYSA-N	-1	1	224.256	2.097	40	0		BEABMM
O=C([O-])[C@H]1CCCN(Cc2ccc(F)s2)C1	ZINC000071792031	384179962	/nfs/dbraw/zinc/17/99/62/384179962.db2.gz	OSHBYUMQZAKDMY-QMMMGPOBSA-N	-1	1	243.303	2.184	40	0		BEABMM
O=C([O-])c1[nH]nc(OC2CCCC2)c1Cl	ZINC000096509289	385241362	/nfs/dbraw/zinc/24/13/62/385241362.db2.gz	IHRNXUNUSQQWAV-UHFFFAOYSA-N	-1	1	230.651	2.083	40	0		BEABMM
Cc1nnc(SCc2ccc(C(=O)[O-])cc2)[nH]1	ZINC000020394457	385460505	/nfs/dbraw/zinc/46/05/05/385460505.db2.gz	TYGLADRPQILMMD-UHFFFAOYSA-N	-1	1	249.295	2.104	40	0		BEABMM
Cc1n[nH]c(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000020394457	385460508	/nfs/dbraw/zinc/46/05/08/385460508.db2.gz	TYGLADRPQILMMD-UHFFFAOYSA-N	-1	1	249.295	2.104	40	0		BEABMM
CCCC(=O)n1c([S-])nc2ccccc2c1=O	ZINC000103650336	387498825	/nfs/dbraw/zinc/49/88/25/387498825.db2.gz	HPAMUJMCVBVHSP-UHFFFAOYSA-N	-1	1	248.307	2.126	40	0		BEABMM
CCCC(=O)n1c([O-])c2ccccc2nc1=S	ZINC000103650336	387498827	/nfs/dbraw/zinc/49/88/27/387498827.db2.gz	HPAMUJMCVBVHSP-UHFFFAOYSA-N	-1	1	248.307	2.126	40	0		BEABMM
CCOC(=O)NC(=S)[N-]c1ccsc1	ZINC000005828314	170241206	/nfs/dbraw/zinc/24/12/06/170241206.db2.gz	VRRVLBAVVXOTIO-UHFFFAOYSA-N	-1	1	230.314	2.191	40	0		BEABMM
COc1ccc(Nc2ncc(C)c(=O)[n-]2)cc1	ZINC000408980710	175156548	/nfs/dbraw/zinc/15/65/48/175156548.db2.gz	SMCATKXRJQPIKH-UHFFFAOYSA-N	-1	1	231.255	2.243	40	0		BEABMM
Nc1cc(=O)[n-]c(S/C=C/c2ccccc2)n1	ZINC000000032841	342670408	/nfs/dbraw/zinc/67/04/08/342670408.db2.gz	XPIRXVHKXUKITM-VOTSOKGWSA-N	-1	1	245.307	2.115	40	0		BEABMM
O=C([O-])C(CCC1CCC=CCC1)C(=O)O	ZINC000004921496	342754352	/nfs/dbraw/zinc/75/43/52/342754352.db2.gz	DMKGSUKGASURCX-UHFFFAOYSA-N	-1	1	226.272	2.298	40	0		BEABMM
Cc1ccc(F)c2c(=O)c(C(=O)O)c[n-]c12	ZINC000035731180	342757627	/nfs/dbraw/zinc/75/76/27/342757627.db2.gz	PWMVAHBNGWGLNC-UHFFFAOYSA-N	-1	1	221.187	2.086	40	0		BEABMM
Cc1ccc(F)c2c(=O)c(C(=O)[O-])c[nH]c12	ZINC000035731180	342757628	/nfs/dbraw/zinc/75/76/28/342757628.db2.gz	PWMVAHBNGWGLNC-UHFFFAOYSA-N	-1	1	221.187	2.086	40	0		BEABMM
Nc1ccc(-c2nc3n[nH]cc3c(=S)[n-]2)cc1	ZINC000018180517	342933562	/nfs/dbraw/zinc/93/35/62/342933562.db2.gz	ZFJVTWKDRRXKNX-UHFFFAOYSA-N	-1	1	243.295	2.265	40	0		BEABMM
O=C([O-])C[C@@H](C=C(O)c1ccc[nH]1)C(F)(F)F	ZINC000256052590	344145304	/nfs/dbraw/zinc/14/53/04/344145304.db2.gz	NXXXGCHVPSSGSE-ZCFIWIBFSA-N	-1	1	249.188	2.241	40	0		BEABMM
Cc1n[n-]c(=S)n1NCc1ccsc1	ZINC000007602227	346663922	/nfs/dbraw/zinc/66/39/22/346663922.db2.gz	LOYBNSMRFQQHAY-UHFFFAOYSA-N	-1	1	226.330	2.054	40	0		BEABMM
Cc1ncc(C(=O)[O-])n1[C@@H](C)c1ccccc1	ZINC000031723323	180134964	/nfs/dbraw/zinc/13/49/64/180134964.db2.gz	BFSWOODTTDXMRA-VIFPVBQESA-N	-1	1	230.267	2.499	40	0		BEABMM
Cc1[n-][nH]c(=O)c1Cc1cccc(C)c1	ZINC000008730063	188103697	/nfs/dbraw/zinc/10/36/97/188103697.db2.gz	BSLPVDBXJCRSOS-UHFFFAOYSA-N	-1	1	202.257	2.323	40	0		BEABMM
COc1cc(OC)cc(-c2c(C)[n-]n(C)c2=O)c1	ZINC000261506837	188193679	/nfs/dbraw/zinc/19/36/79/188193679.db2.gz	BLHLOFAONVXDQB-UHFFFAOYSA-N	-1	1	248.282	2.118	40	0		BEABMM
CCN1CC[NH+](Cc2cccc([S-])c2)CC1	ZINC000095738736	371338649	/nfs/dbraw/zinc/33/86/49/371338649.db2.gz	FZWMTFPQWQDREL-UHFFFAOYSA-N	-1	1	236.384	2.113	40	0		BEABMM
O=c1[n-]c(-c2cccnc2)ncc1-c1ccccc1	ZINC000096311272	371460930	/nfs/dbraw/zinc/46/09/30/371460930.db2.gz	XKKXYBLHJQUQCV-UHFFFAOYSA-N	-1	1	249.273	2.499	40	0		BEABMM
O=C([N-]c1c(F)cccc1F)c1cnco1	ZINC000082339064	182346602	/nfs/dbraw/zinc/34/66/02/182346602.db2.gz	ZHINLJCRVIDVPY-UHFFFAOYSA-N	-1	1	224.166	2.205	40	0		BEABMM
O=C(Nc1ccccc1)Nc1ncccc1[O-]	ZINC000001096671	182375843	/nfs/dbraw/zinc/37/58/43/182375843.db2.gz	MUTZXOUXSQXRGW-UHFFFAOYSA-N	-1	1	229.239	2.431	40	0		BEABMM
CCNC(=O)Nc1ccc(Cl)cc1[O-]	ZINC000408566869	384001777	/nfs/dbraw/zinc/00/17/77/384001777.db2.gz	ITUVSTMWSOLBBC-UHFFFAOYSA-N	-1	1	214.652	2.187	40	0		BEABMM
CSc1nc2c3cccnc3oc2c(=O)[n-]1	ZINC000083291669	384477732	/nfs/dbraw/zinc/47/77/32/384477732.db2.gz	VZYCGKRLHRZJFE-UHFFFAOYSA-N	-1	1	233.252	2.199	40	0		BEABMM
O=c1[n-]c(=S)[nH]cc1Oc1ccccc1	ZINC000008616275	385249867	/nfs/dbraw/zinc/24/98/67/385249867.db2.gz	RIIFDWLMPIDKQX-UHFFFAOYSA-N	-1	1	220.253	2.263	40	0		BEABMM
CCOc1cc(Br)c([O-])c(C=O)c1	ZINC000226233317	386240978	/nfs/dbraw/zinc/24/09/78/386240978.db2.gz	HKVGQZAJULJUCK-UHFFFAOYSA-N	-1	1	245.072	2.366	40	0		BEABMM
O=C1[N-]C(=O)[C@@H](Cc2cccc(Cl)c2)S1	ZINC000218823606	388393093	/nfs/dbraw/zinc/39/30/93/388393093.db2.gz	XALZJPMVXSKUDB-MRVPVSSYSA-N	-1	1	241.699	2.234	40	0		BEABMM
CCOC(=O)c1nc2cc(Cl)c(C)nc2[n-]1	ZINC000071257624	170307826	/nfs/dbraw/zinc/30/78/26/170307826.db2.gz	XMOBXMDNMASCOZ-UHFFFAOYSA-N	-1	1	239.662	2.096	40	0		BEABMM
CCOC(=O)c1nc2cc(Cl)c(C)[n-]c-2n1	ZINC000071257624	170307828	/nfs/dbraw/zinc/30/78/28/170307828.db2.gz	XMOBXMDNMASCOZ-UHFFFAOYSA-N	-1	1	239.662	2.096	40	0		BEABMM
CN(C)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000005957291	172382307	/nfs/dbraw/zinc/38/23/07/172382307.db2.gz	LCKMGLYSTXRASG-UHFFFAOYSA-N	-1	1	214.652	2.139	40	0		BEABMM
O=c1cn[n-]c2c(Cl)cc(Cl)cc12	ZINC000149706261	527494137	/nfs/dbraw/zinc/49/41/37/527494137.db2.gz	FOSMXOORQBYANW-UHFFFAOYSA-N	-1	1	215.039	2.230	40	0		BEABMM
[O-]c1c(Cl)cc(Cl)cc1-n1cnnc1	ZINC000226281263	192027324	/nfs/dbraw/zinc/02/73/24/192027324.db2.gz	JYTXZDKEEDVERR-UHFFFAOYSA-N	-1	1	230.054	2.280	40	0		BEABMM
C[C@@H](Cc1ccccc1)CC(C(=O)[O-])C(=O)O	ZINC000001764736	342712351	/nfs/dbraw/zinc/71/23/51/342712351.db2.gz	YSGQEYOCSNLLIB-VIFPVBQESA-N	-1	1	236.267	2.041	40	0		BEABMM
CCCC[C@@H](CC)[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575026	342766282	/nfs/dbraw/zinc/76/62/82/342766282.db2.gz	ZKYLUEMFTTZGJI-KXUCPTDWSA-N	-1	1	231.361	2.319	40	0		BEABMM
O=C1[N-]C(=O)C(=CC2CCCCC2)S1	ZINC000019691438	188107711	/nfs/dbraw/zinc/10/77/11/188107711.db2.gz	OPEPAWMKWNADQN-VURMDHGXSA-N	-1	1	211.286	2.434	40	0		BEABMM
O=c1[nH]nc2c3c(F)ccc(F)c3[n-]cc1-2	ZINC000064875145	370376746	/nfs/dbraw/zinc/37/67/46/370376746.db2.gz	VHPJQFIOGKKFJV-UHFFFAOYSA-N	-1	1	221.166	2.095	40	0		BEABMM
O=C([N-]C[C@H]1C[C@H]2CC[C@@H]1C2)C(F)(F)F	ZINC000006691889	182246434	/nfs/dbraw/zinc/24/64/34/182246434.db2.gz	FVDCYOGKIQCTKH-XLPZGREQSA-N	-1	1	221.222	2.101	40	0		BEABMM
[O-]c1c(Cl)cc(Br)cc1CO	ZINC000008727684	183160125	/nfs/dbraw/zinc/16/01/25/183160125.db2.gz	ZNQQDKRYEOYOEK-UHFFFAOYSA-N	-1	1	237.480	2.300	40	0		BEABMM
CSc1nc(C2CCCC2)cc(=O)[n-]1	ZINC000096311406	386595186	/nfs/dbraw/zinc/59/51/86/386595186.db2.gz	YZSSGSFSTBCAFK-UHFFFAOYSA-N	-1	1	210.302	2.149	40	0		BEABMM
CCOC(=O)C[C@@H]1CCc2cc([O-])ccc2C1=O	ZINC000034142712	170232183	/nfs/dbraw/zinc/23/21/83/170232183.db2.gz	PJONVIXORDDEGG-JTQLQIEISA-N	-1	1	248.278	2.091	40	0		BEABMM
CCOC(=O)c1cccc([O-])c1Cl	ZINC000199818016	170298666	/nfs/dbraw/zinc/29/86/66/170298666.db2.gz	BJRWARWQJAZJSJ-UHFFFAOYSA-N	-1	1	200.621	2.222	40	0		BEABMM
CCn1c(-c2ccc(N)cc2)n[n-]c1=S	ZINC000004161708	172130758	/nfs/dbraw/zinc/13/07/58/172130758.db2.gz	CGFXKNBCWOALKK-UHFFFAOYSA-N	-1	1	220.301	2.210	40	0		BEABMM
Cc1ccc(CNn2c(C)n[n-]c2=S)s1	ZINC000017744301	524624765	/nfs/dbraw/zinc/62/47/65/524624765.db2.gz	VQGKKGWKGMLNCQ-UHFFFAOYSA-N	-1	1	240.357	2.363	40	0		BEABMM
Cn1c(=S)[n-]nc1C1=CCc2ccccc21	ZINC000228975629	527040094	/nfs/dbraw/zinc/04/00/94/527040094.db2.gz	JUSFTSYGNCTAPU-UHFFFAOYSA-N	-1	1	229.308	2.465	40	0		BEABMM
Cc1cc(Cl)c2[nH]cc(C(=O)[O-])c(=O)c2c1	ZINC000019721551	178061071	/nfs/dbraw/zinc/06/10/71/178061071.db2.gz	HCJYGXRYMKFEDS-UHFFFAOYSA-N	-1	1	237.642	2.188	40	0		BEABMM
CO[S@](=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000005812590	342770363	/nfs/dbraw/zinc/77/03/63/342770363.db2.gz	WRSNHYQWUHHFLB-CYBMUJFWSA-N	-1	1	241.095	2.368	40	0		BEABMM
O=c1[n-]c(-c2ccccc2)nc2c1CCCS2	ZINC000008637497	342801549	/nfs/dbraw/zinc/80/15/49/342801549.db2.gz	BTDIZFPYYWBRPL-UHFFFAOYSA-N	-1	1	244.319	2.475	40	0		BEABMM
Clc1n[n-]c(-c2ccc(Br)o2)n1	ZINC000064875224	259330286	/nfs/dbraw/zinc/33/02/86/259330286.db2.gz	MOHVDYBIINNQRE-UHFFFAOYSA-N	-1	1	248.467	2.481	40	0		BEABMM
O=C1NC(=O)C(c2c[nH]c3cc(F)ccc23)=C1[O-]	ZINC000071257730	343643974	/nfs/dbraw/zinc/64/39/74/343643974.db2.gz	QXKLMYZUQDOPOO-UHFFFAOYSA-N	-1	1	246.197	2.073	40	0		BEABMM
Cc1n[nH]c(CCc2ccccc2)c1C(=O)[O-]	ZINC000020444119	347418805	/nfs/dbraw/zinc/41/88/05/347418805.db2.gz	KSUSWMUPVCEHIL-UHFFFAOYSA-N	-1	1	230.267	2.202	40	0		BEABMM
CC(C)c1nc2ccc(CC(=O)[O-])cc2[nH]1	ZINC000031893068	350174194	/nfs/dbraw/zinc/17/41/94/350174194.db2.gz	MOXRSZFDOCZWBL-UHFFFAOYSA-N	-1	1	218.256	2.313	40	0		BEABMM
O=C(Cc1cccnc1)c1ccc([O-])cc1	ZINC000142422305	182049160	/nfs/dbraw/zinc/04/91/60/182049160.db2.gz	BHXYNUQTMVOZKO-UHFFFAOYSA-N	-1	1	213.236	2.213	40	0		BEABMM
Cc1cc(C=C([O-])c2cccc(Cl)n2)on1	ZINC000066347646	383861428	/nfs/dbraw/zinc/86/14/28/383861428.db2.gz	KQXIGRBZZYMIPH-UHFFFAOYSA-N	-1	1	236.658	2.457	40	0		BEABMM
CC(=O)c1ccc(Br)c(F)c1[O-]	ZINC000067172162	386716258	/nfs/dbraw/zinc/71/62/58/386716258.db2.gz	LVKDDCNRUCRQOS-UHFFFAOYSA-N	-1	1	233.036	2.496	40	0		BEABMM
O=[P@]([O-])(O)Cc1ccc(Cl)cc1	ZINC000015770460	387849376	/nfs/dbraw/zinc/84/93/76/387849376.db2.gz	KFNFQPHCXKFJDR-UHFFFAOYSA-N	-1	1	206.565	2.018	40	0		BEABMM
O=c1cc(Cl)nc(C2CCCCC2)[n-]1	ZINC000207474042	388669407	/nfs/dbraw/zinc/66/94/07/388669407.db2.gz	NMRSRQMROLIQLI-UHFFFAOYSA-N	-1	1	212.680	2.471	40	0		BEABMM
N[C@@H](C(=O)[O-])c1c(F)ccc(Cl)c1Cl	ZINC000199809162	388654835	/nfs/dbraw/zinc/65/48/35/388654835.db2.gz	BYZDJCVTQYXVHJ-SSDOTTSWSA-N	-1	1	238.045	2.217	40	0		BEABMM
Nc1cc(Br)c(F)c(F)c1[O-]	ZINC000169800899	397815810	/nfs/dbraw/zinc/81/58/10/397815810.db2.gz	ZDPYTLIUCKFPBD-UHFFFAOYSA-N	-1	1	224.004	2.015	40	0		BEABMM
CCc1nc2ccc(CCC(=O)[O-])cc2[nH]1	ZINC000036197690	172010513	/nfs/dbraw/zinc/01/05/13/172010513.db2.gz	FMODQLZBVIVGGB-UHFFFAOYSA-N	-1	1	218.256	2.143	40	0		BEABMM
O=c1cn[n-]c2cc(Cl)c(Cl)cc12	ZINC000142050732	527493539	/nfs/dbraw/zinc/49/35/39/527493539.db2.gz	ZIVIXYFVDXXKCJ-UHFFFAOYSA-N	-1	1	215.039	2.230	40	0		BEABMM
COC(=O)c1oc2c(cccc2C)c1[O-]	ZINC000110752150	398300960	/nfs/dbraw/zinc/30/09/60/398300960.db2.gz	DKTGFIKDJWKZTF-UHFFFAOYSA-N	-1	1	206.197	2.233	40	0		BEABMM
[O-]c1coc2c1cc(Br)cc2F	ZINC000035652490	343301169	/nfs/dbraw/zinc/30/11/69/343301169.db2.gz	ZONQHBBLYAMHSA-UHFFFAOYSA-N	-1	1	231.020	2.163	40	0		BEABMM
Cc1[nH]nc(Cc2ccccc2)c1C(=O)[O-]	ZINC000038580627	348714886	/nfs/dbraw/zinc/71/48/86/348714886.db2.gz	VZTYAPKNHNKRGM-UHFFFAOYSA-N	-1	1	216.240	2.007	40	0		BEABMM
C/C=C/C[C@@]1(CCC)C(=O)[N-]C(=S)NC1=O	ZINC000017289017	188106654	/nfs/dbraw/zinc/10/66/54/188106654.db2.gz	DASWMKWTPHZQNX-HWKANZROSA-N	-1	1	240.328	2.110	40	0		BEABMM
C/C=C/C[C@]1(CCC)C(=O)[N-]C(=S)NC1=O	ZINC000017289017	188106656	/nfs/dbraw/zinc/10/66/56/188106656.db2.gz	DASWMKWTPHZQNX-HWKANZROSA-N	-1	1	240.328	2.110	40	0		BEABMM
[O-]c1cccc(O)c1Cc1c(O)cccc1O	ZINC000003843496	183292802	/nfs/dbraw/zinc/29/28/02/183292802.db2.gz	FQIQHGPPOGJBOP-UHFFFAOYSA-N	-1	1	232.235	2.100	40	0		BEABMM
O=C([O-])c1cc(O)c(Cl)c(F)c1F	ZINC000090413416	384048429	/nfs/dbraw/zinc/04/84/29/384048429.db2.gz	GZVMSWWFTNQKGC-UHFFFAOYSA-N	-1	1	208.547	2.022	40	0		BEABMM
Cc1ccsc1CN(CC(=O)[O-])C1CC1	ZINC000079421951	384142345	/nfs/dbraw/zinc/14/23/45/384142345.db2.gz	NAUGRGUVJICDPC-UHFFFAOYSA-N	-1	1	225.313	2.106	40	0		BEABMM
CCc1cc(=O)n(-c2ccc(OC)cc2)[n-]1	ZINC000100407003	385160701	/nfs/dbraw/zinc/16/07/01/385160701.db2.gz	NQCTZUJYZHLKES-UHFFFAOYSA-N	-1	1	218.256	2.198	40	0		BEABMM
O=C([O-])c1ccc2n[nH]c(C(F)(F)F)c2c1	ZINC000076191249	387139597	/nfs/dbraw/zinc/13/95/97/387139597.db2.gz	FHKPNGNKOMYRKN-UHFFFAOYSA-N	-1	1	230.145	2.280	40	0		BEABMM
Nc1cc([O-])c(Br)cc1Cl	ZINC000575720315	387441315	/nfs/dbraw/zinc/44/13/15/387441315.db2.gz	UPTVVSVAORUSAQ-UHFFFAOYSA-N	-1	1	222.469	2.390	40	0		BEABMM
Nc1ccc(C(=O)c2ccc([O-])cc2)cc1	ZINC000000372865	388585994	/nfs/dbraw/zinc/58/59/94/388585994.db2.gz	ZLUJJCPTVKQVDE-UHFFFAOYSA-N	-1	1	213.236	2.205	40	0		BEABMM
O=C1NC(=O)C(c2c[nH]c3ccc(F)cc23)=C1[O-]	ZINC000071257725	133643746	/nfs/dbraw/zinc/64/37/46/133643746.db2.gz	TUORXWHVIFSWKN-UHFFFAOYSA-N	-1	1	246.197	2.073	40	0		BEABMM
S=c1[n-]ncn1NCc1ccc(Cl)cc1	ZINC000017744262	526388601	/nfs/dbraw/zinc/38/86/01/526388601.db2.gz	FYEOQVJYEHZYBF-UHFFFAOYSA-N	-1	1	240.719	2.338	40	0		BEABMM
CCc1cc(=O)n(-c2ccc(F)cc2)[n-]1	ZINC000100407000	398248783	/nfs/dbraw/zinc/24/87/83/398248783.db2.gz	LTGDWGXZKAEZIR-UHFFFAOYSA-N	-1	1	206.220	2.328	40	0		BEABMM
Nc1scc2c1c(=O)oc1cc([O-])ccc21	ZINC000072220104	259318930	/nfs/dbraw/zinc/31/89/30/259318930.db2.gz	RUGIOZJOTDFQGJ-UHFFFAOYSA-N	-1	1	233.248	2.296	40	0		BEABMM
CCCc1n[n-]c(=S)n1NCc1ccco1	ZINC000007601423	343137078	/nfs/dbraw/zinc/13/70/78/343137078.db2.gz	YCZZMZFKYKNLBB-UHFFFAOYSA-N	-1	1	238.316	2.230	40	0		BEABMM
O=C1NC(=O)C(c2c[nH]c3cccc(F)c23)=C1[O-]	ZINC000071257762	343643954	/nfs/dbraw/zinc/64/39/54/343643954.db2.gz	YAASBSJXCROFFQ-UHFFFAOYSA-N	-1	1	246.197	2.073	40	0		BEABMM
CCc1n[n-]c(=S)n1NCc1ccccc1	ZINC000008339399	344157460	/nfs/dbraw/zinc/15/74/60/344157460.db2.gz	VTPBBYVMYQWNNI-UHFFFAOYSA-N	-1	1	234.328	2.247	40	0		BEABMM
Cc1ccsc1CNn1c(C)n[n-]c1=S	ZINC000005982103	346633595	/nfs/dbraw/zinc/63/35/95/346633595.db2.gz	MDPHRHUHWFXMHH-UHFFFAOYSA-N	-1	1	240.357	2.363	40	0		BEABMM
O=c1[n-]c(Cl)ccc1Br	ZINC000071245025	384153545	/nfs/dbraw/zinc/15/35/45/384153545.db2.gz	TXOMZZHODWFCIF-UHFFFAOYSA-N	-1	1	208.442	2.203	40	0		BEABMM
Cn1c(=O)c(C2CCCCC2)c([O-])[nH]c1=S	ZINC000100933629	384362362	/nfs/dbraw/zinc/36/23/62/384362362.db2.gz	BQYHOWCQROCDGH-UHFFFAOYSA-N	-1	1	240.328	2.196	40	0		BEABMM
Cc1nnc(SCc2cccc(C(=O)[O-])c2)[nH]1	ZINC000020394690	385459972	/nfs/dbraw/zinc/45/99/72/385459972.db2.gz	FIPGENVYDMWKPW-UHFFFAOYSA-N	-1	1	249.295	2.104	40	0		BEABMM
Cc1n[nH]c(SCc2cccc(C(=O)[O-])c2)n1	ZINC000020394690	385459974	/nfs/dbraw/zinc/45/99/74/385459974.db2.gz	FIPGENVYDMWKPW-UHFFFAOYSA-N	-1	1	249.295	2.104	40	0		BEABMM
CCCCCCSc1nc(OC)cc(=O)[n-]1	ZINC000059417361	386479193	/nfs/dbraw/zinc/47/91/93/386479193.db2.gz	IXMFWKNBZASUDT-UHFFFAOYSA-N	-1	1	242.344	2.451	40	0		BEABMM
Cc1n[nH]c(C2CCCCC2)c1C(=O)[O-]	ZINC000066134442	388680796	/nfs/dbraw/zinc/68/07/96/388680796.db2.gz	LRRZPMQJOXQOQF-UHFFFAOYSA-N	-1	1	208.261	2.464	40	0		BEABMM
COc1ccc2nc(CCCCC(=O)[O-])[nH]c2c1	ZINC000086568269	175228580	/nfs/dbraw/zinc/22/85/80/175228580.db2.gz	KYONARHQYUZHGL-UHFFFAOYSA-N	-1	1	248.282	2.369	40	0		BEABMM