smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[S@]([O-])c1cccc(Cl)c1[O-]	675061986	538449712	/nfs/dbraw/zinc/44/97/12/538449712.db2.gz	XGXMAGIHMNCNSP-UHFFFAOYSA-N	-2	1	192.623	1.626	10	0		ADAEML
O=Nc1cc(C(=O)[O-])ccc1[O-]	14492597	572008527	/nfs/dbraw/zinc/00/85/27/572008527.db2.gz	TVMXONLENPZEFC-UHFFFAOYSA-N	-2	1	167.120	1.488	10	0		ADAEML
CCC[P@](=O)([O-])CCC(=O)[O-]	113618155	572141010	/nfs/dbraw/zinc/14/10/10/572141010.db2.gz	XRPZUFQSHQMZPO-UHFFFAOYSA-N	-2	1	180.140	1.142	10	0		ADAEML
O=C([O-])Cc1cc(F)c([O-])c(F)c1	113518161	573011365	/nfs/dbraw/zinc/01/13/65/573011365.db2.gz	QLSDQWOOQFFUHR-UHFFFAOYSA-N	-2	1	188.129	1.298	10	0		ADAEML
CC[P@](=O)([O-])[C@@H](C)CC(=O)[O-]	113614988	573017709	/nfs/dbraw/zinc/01/77/09/573017709.db2.gz	WDNFFLNBJVRGTA-YFKPBYRVSA-N	-2	1	180.140	1.140	10	0		ADAEML
O=C([O-])c1cc2c([O-])c(F)ccc2[nH]1	107137943	573373421	/nfs/dbraw/zinc/37/34/21/573373421.db2.gz	SAFZGYLSYKLRRU-UHFFFAOYSA-N	-2	1	195.149	1.711	10	0		ADAEML
CCc1cccc(C(=O)C(=O)[O-])c1[O-]	258050330	573505964	/nfs/dbraw/zinc/50/59/64/573505964.db2.gz	KNBSEDPHWXQOGW-UHFFFAOYSA-N	-2	1	194.186	1.222	10	0		ADAEML
Cc1ccc(C(=O)C(=O)[O-])c([O-])c1C	258061928	573561151	/nfs/dbraw/zinc/56/11/51/573561151.db2.gz	LOGDRAXGZDCQGY-UHFFFAOYSA-N	-2	1	194.186	1.276	10	0		ADAEML
O=C([O-])Cc1sc(C2CC2)nc1[O-]	107142298	573380617	/nfs/dbraw/zinc/38/06/17/573380617.db2.gz	AKLWXZPSTVNXJO-UHFFFAOYSA-N	-2	1	199.231	1.353	10	0		ADAEML
O=Cc1cc(F)c([O-])c(C(=O)[O-])c1	259620726	573772860	/nfs/dbraw/zinc/77/28/60/573772860.db2.gz	FGRJWDWLVXDQHP-UHFFFAOYSA-N	-2	1	184.122	1.042	10	0		ADAEML
Cc1cc(C(=O)C(=O)[O-])cc([O-])c1F	258153055	573835042	/nfs/dbraw/zinc/83/50/42/573835042.db2.gz	UJUBHBFSYSEEJF-UHFFFAOYSA-N	-2	1	198.149	1.107	10	0		ADAEML
CC(C)[N-]C(=S)SCC(=O)[O-]	238159424	573844682	/nfs/dbraw/zinc/84/46/82/573844682.db2.gz	OBWVCUHUUZUICP-UHFFFAOYSA-N	-2	1	193.293	1.087	10	0		ADAEML
[CH2]CCCCCc1nnn[n-]1	118014408	1423487090	/nfs/dbraw/zinc/48/70/90/1423487090.db2.gz	FIMUOXCPQXWWKC-UHFFFAOYSA-N	-2	1	153.209	1.137	10	0		ADAEML
[S-]c1ccccc1-c1nn[n-]n1	95237036	1423576999	/nfs/dbraw/zinc/57/69/99/1423576999.db2.gz	BHSSJHCINKZVQB-UHFFFAOYSA-N	-2	1	178.220	1.155	10	0		ADAEML
[CH2]CCCCCCc1nnn[n-]1	146451479	1423755456	/nfs/dbraw/zinc/75/54/56/1423755456.db2.gz	PRFCQYGREJUUGU-UHFFFAOYSA-N	-2	1	167.236	1.527	10	0		ADAEML
[O-]c1cccc(Cl)c1-c1nn[n-]n1	95218425	1423771102	/nfs/dbraw/zinc/77/11/02/1423771102.db2.gz	JJQVTJGQVLOUSJ-UHFFFAOYSA-N	-2	1	196.597	1.226	10	0		ADAEML
[O-]c1cc(Cl)ccc1-c1nn[n-]n1	95219522	1424647417	/nfs/dbraw/zinc/64/74/17/1424647417.db2.gz	HTXYZJWEAQMYMD-UHFFFAOYSA-N	-2	1	196.597	1.226	10	0		ADAEML
O=C([O-])c1cc([O-])c2ncsc2c1	213827140	571675803	/nfs/dbraw/zinc/67/58/03/571675803.db2.gz	MWWKHNKVRQVBNM-UHFFFAOYSA-N	-2	1	195.199	1.700	10	0		ADAEML
C[C@H](C(=O)[O-])c1n[n-]c(=S)s1	4267509	571825727	/nfs/dbraw/zinc/82/57/27/571825727.db2.gz	PAXXUGFUOXMPKS-REOHCLBHSA-N	-2	1	190.249	1.015	10	0		ADAEML
C[C@@H](C(=O)[O-])c1n[n-]c(=S)s1	4267517	571826381	/nfs/dbraw/zinc/82/63/81/571826381.db2.gz	PAXXUGFUOXMPKS-UWTATZPHSA-N	-2	1	190.249	1.015	10	0		ADAEML
S=c1cc[nH]c2[nH]nnc12	5086379	571833274	/nfs/dbraw/zinc/83/32/74/571833274.db2.gz	VEEAHUHFJNMBGA-UHFFFAOYSA-N	-2	1	152.182	1.015	10	0		ADAEML
O=P([O-])([O-])[C@@H](O)C1CCCCC1	13441052	571982524	/nfs/dbraw/zinc/98/25/24/571982524.db2.gz	FRKMOGIEJQFQPO-SSDOTTSWSA-N	-2	1	194.167	1.063	10	0		ADAEML
O=P([O-])([O-])[C@H](O)C1CCCCC1	13441054	571982992	/nfs/dbraw/zinc/98/29/92/571982992.db2.gz	FRKMOGIEJQFQPO-ZETCQYMHSA-N	-2	1	194.167	1.063	10	0		ADAEML
CC(=O)c1ccc([O-])c(CC(=O)[O-])c1	34484705	572087132	/nfs/dbraw/zinc/08/71/32/572087132.db2.gz	KACLLRYCZFYWEK-UHFFFAOYSA-N	-2	1	194.186	1.222	10	0		ADAEML
CC[P@](=O)([O-])[C@H](C)[C@@H](C)C(=O)[O-]	113614409	572135872	/nfs/dbraw/zinc/13/58/72/572135872.db2.gz	LPNVZUGPBZDGHS-PHDIDXHHSA-N	-2	1	194.167	1.386	10	0		ADAEML
O=C([O-])CC(=O)C=C([O-])c1ccco1	238686575	572386224	/nfs/dbraw/zinc/38/62/24/572386224.db2.gz	BZLSXUQBQZOIER-AATRIKPKSA-N	-2	1	196.158	1.379	10	0		ADAEML
O=C([O-])CC(=O)C=C([O-])c1ccoc1	238686618	572386741	/nfs/dbraw/zinc/38/67/41/572386741.db2.gz	YLQLMWPRSJZHHX-QPJJXVBHSA-N	-2	1	196.158	1.379	10	0		ADAEML
CC(C)CCC1=C([O-])C(C(=O)[O-])N=N1	74238493	572447505	/nfs/dbraw/zinc/44/75/05/572447505.db2.gz	JFGSJEQGEQWTRV-UHFFFAOYSA-N	-2	1	198.222	1.402	10	0		ADAEML
CCC[N-]C(=S)SCC(=O)[O-]	238247414	572454637	/nfs/dbraw/zinc/45/46/37/572454637.db2.gz	YDTQGUZIHSWXSY-UHFFFAOYSA-N	-2	1	193.293	1.089	10	0		ADAEML
CCSC(=S)[N-]CCC(=O)[O-]	238278160	572511304	/nfs/dbraw/zinc/51/13/04/572511304.db2.gz	BDNGVBPIJCVFEB-UHFFFAOYSA-N	-2	1	193.293	1.089	10	0		ADAEML
O=Cc1oc2c([O-])csc2c1[O-]	250649139	572512962	/nfs/dbraw/zinc/51/29/62/572512962.db2.gz	LKYBCSABKGXQKT-UHFFFAOYSA-N	-2	1	184.172	1.086	10	0		ADAEML
O=C([O-])c1cc([O-])cc2c1C(=O)CC2	714110078	572608111	/nfs/dbraw/zinc/60/81/11/572608111.db2.gz	KFFMIZXWQPAKRM-UHFFFAOYSA-N	-2	1	192.170	1.219	10	0		ADAEML
Cc1cc(C(=O)[O-])c2c([O-])coc2c1	714117280	572645390	/nfs/dbraw/zinc/64/53/90/572645390.db2.gz	URUMKNJRRGCXGD-UHFFFAOYSA-N	-2	1	192.170	1.268	10	0		ADAEML
Cc1ccc2occ([O-])c2c1C(=O)[O-]	714117270	572645740	/nfs/dbraw/zinc/64/57/40/572645740.db2.gz	TZPGVESVSMNEQS-UHFFFAOYSA-N	-2	1	192.170	1.268	10	0		ADAEML
CC[P@](=O)([O-])[C@@H](C)[C@H](C)C(=O)[O-]	307864642	572667011	/nfs/dbraw/zinc/66/70/11/572667011.db2.gz	LPNVZUGPBZDGHS-WDSKDSINSA-N	-2	1	194.167	1.386	10	0		ADAEML
CC[P@](=O)([O-])[C@H](C)[C@H](C)C(=O)[O-]	307864640	572667246	/nfs/dbraw/zinc/66/72/46/572667246.db2.gz	LPNVZUGPBZDGHS-NTSWFWBYSA-N	-2	1	194.167	1.386	10	0		ADAEML
CCO[P@](=O)([O-])CCCC(=O)[O-]	116323626	572683642	/nfs/dbraw/zinc/68/36/42/572683642.db2.gz	IJGGJZIZVPVXIA-UHFFFAOYSA-N	-2	1	196.139	1.073	10	0		ADAEML
Cc1ccc([O-])c(C(=O)C(=O)[O-])c1C	258205327	572994722	/nfs/dbraw/zinc/99/47/22/572994722.db2.gz	YWDLQQCLTASWGK-UHFFFAOYSA-N	-2	1	194.186	1.276	10	0		ADAEML
CCC(=O)c1ccc([O-])cc1C(=O)[O-]	238244108	573002558	/nfs/dbraw/zinc/00/25/58/573002558.db2.gz	ZKXKZXWUFVZNMU-UHFFFAOYSA-N	-2	1	194.186	1.683	10	0		ADAEML
O=C([O-])c1scc2c(=O)nc[n-]c12	107186321	573015898	/nfs/dbraw/zinc/01/58/98/573015898.db2.gz	VGSMWYZVEQRGME-UHFFFAOYSA-N	-2	1	196.187	1.095	10	0		ADAEML
CC[P@](=O)([O-])[C@@H](C)[C@@H](C)C(=O)[O-]	113614405	573016737	/nfs/dbraw/zinc/01/67/37/573016737.db2.gz	LPNVZUGPBZDGHS-RITPCOANSA-N	-2	1	194.167	1.386	10	0		ADAEML
CC[P@](=O)([O-])[C@H](C)CC(=O)[O-]	113614991	573019774	/nfs/dbraw/zinc/01/97/74/573019774.db2.gz	WDNFFLNBJVRGTA-RXMQYKEDSA-N	-2	1	180.140	1.140	10	0		ADAEML
Cc1c([O-])nc(-c2ccco2)[n-]c1=O	82473766	573056115	/nfs/dbraw/zinc/05/61/15/573056115.db2.gz	OIBKOIYBFXNWMQ-UHFFFAOYSA-N	-2	1	192.174	1.044	10	0		ADAEML
Cc1ccc(-c2nc([O-])cc(=O)[n-]2)o1	82478247	573063815	/nfs/dbraw/zinc/06/38/15/573063815.db2.gz	PKSULPJSNHOULA-UHFFFAOYSA-N	-2	1	192.174	1.044	10	0		ADAEML
CCc1ccc([O-])c(C(=O)C(=O)[O-])c1	238282637	573128858	/nfs/dbraw/zinc/12/88/58/573128858.db2.gz	AXBPQTXQOVNTQD-UHFFFAOYSA-N	-2	1	194.186	1.222	10	0		ADAEML
C/C=C\c1oc(=O)cc([O-])c1C(=O)[O-]	308278950	573136877	/nfs/dbraw/zinc/13/68/77/573136877.db2.gz	VKOYRMUPVQRBKA-IHWYPQMZSA-N	-2	1	196.158	1.077	10	0		ADAEML
O=C([O-])CC(=O)C=C([O-])c1ccoc1	308280927	573138846	/nfs/dbraw/zinc/13/88/46/573138846.db2.gz	YLQLMWPRSJZHHX-DAXSKMNVSA-N	-2	1	196.158	1.379	10	0		ADAEML
CC[P@](=O)([O-])C(C)(C)C(=O)[O-]	238323644	573231938	/nfs/dbraw/zinc/23/19/38/573231938.db2.gz	IPGPRCDLLYQGDG-UHFFFAOYSA-N	-2	1	180.140	1.140	10	0		ADAEML
O=C([O-])C[C@H]1CCCc2c1[n-][nH]c2=O	74242692	573277182	/nfs/dbraw/zinc/27/71/82/573277182.db2.gz	AXNZPWZTTQOHCH-RXMQYKEDSA-N	-2	1	196.206	1.010	10	0		ADAEML
O=C([O-])C[C@@H]1CCCc2[n-][nH]c(=O)c21	74242736	573284331	/nfs/dbraw/zinc/28/43/31/573284331.db2.gz	RYAWQSKZQPOOGD-YFKPBYRVSA-N	-2	1	196.206	1.010	10	0		ADAEML
O=C([O-])C[C@H]1CCCc2[n-][nH]c(=O)c21	74242738	573284942	/nfs/dbraw/zinc/28/49/42/573284942.db2.gz	RYAWQSKZQPOOGD-RXMQYKEDSA-N	-2	1	196.206	1.010	10	0		ADAEML
CCc1nc([O-])c(CC(=O)[O-])s1	106776953	573314010	/nfs/dbraw/zinc/31/40/10/573314010.db2.gz	POJLJPWUGSNDRG-UHFFFAOYSA-N	-2	1	187.220	1.038	10	0		ADAEML
O=C([O-])c1cc(Cl)n[n-]c1=S	259481557	573511716	/nfs/dbraw/zinc/51/17/16/573511716.db2.gz	OSEAFNOFIBDOAN-UHFFFAOYSA-N	-2	1	190.611	1.117	10	0		ADAEML
Cc1cc(C(=O)C(=O)[O-])c(F)cc1[O-]	258053546	573533729	/nfs/dbraw/zinc/53/37/29/573533729.db2.gz	KSBLESLZJKBGEN-UHFFFAOYSA-N	-2	1	198.149	1.107	10	0		ADAEML
O=C([O-])Cc1ccc(F)c(F)c1[O-]	107348718	573539666	/nfs/dbraw/zinc/53/96/66/573539666.db2.gz	MKZAFENOXJVLSC-UHFFFAOYSA-N	-2	1	188.129	1.298	10	0		ADAEML
O=C([O-])c1nc2cc(Cl)c[n-]c-2n1	107366245	573547351	/nfs/dbraw/zinc/54/73/51/573547351.db2.gz	JMTVQBRHFOIGFS-UHFFFAOYSA-N	-2	1	197.581	1.310	10	0		ADAEML
O=C([O-])c1cc(=S)[n-]nc1Cl	259517520	573580165	/nfs/dbraw/zinc/58/01/65/573580165.db2.gz	SHUBUDUCYIHZKR-UHFFFAOYSA-N	-2	1	190.611	1.117	10	0		ADAEML
C[C@@H](C[P@](=O)([O-])O)C(C)(C)C	98090910	168353503	/nfs/dbraw/zinc/35/35/03/168353503.db2.gz	UZJXHJFKUSBWEL-LURJTMIESA-N	-2	1	180.184	1.846	10	0		ADAEML
O=C([O-])Cc1cccc(Cl)c1[O-]	82879354	169343748	/nfs/dbraw/zinc/34/37/48/169343748.db2.gz	DTNFNUJOSOFRGI-UHFFFAOYSA-N	-2	1	186.594	1.673	10	0		ADAEML
O=C([O-])c1c([S-])nc2ccccn12	42137149	169355689	/nfs/dbraw/zinc/35/56/89/169355689.db2.gz	PZULVHINODGPRX-UHFFFAOYSA-N	-2	1	194.215	1.321	10	0		ADAEML
O=C([O-])c1c(F)ccc([O-])c1Cl	75926695	169356004	/nfs/dbraw/zinc/35/60/04/169356004.db2.gz	ILISMQKBXUFRAJ-UHFFFAOYSA-N	-2	1	190.557	1.883	10	0		ADAEML
O=C([O-])c1cc([O-])c(Cl)cc1F	75926693	169356876	/nfs/dbraw/zinc/35/68/76/169356876.db2.gz	ZKGZXXDWKWLNSJ-UHFFFAOYSA-N	-2	1	190.557	1.883	10	0		ADAEML
O=C([O-])c1cc2c([O-])cc(F)cc2[nH]1	82386884	169356890	/nfs/dbraw/zinc/35/68/90/169356890.db2.gz	BPEXSMFNGASOCD-UHFFFAOYSA-N	-2	1	195.149	1.711	10	0		ADAEML
O=C([O-])c1cc2[n-]c(Cl)ncc-2n1	299889953	169357433	/nfs/dbraw/zinc/35/74/33/169357433.db2.gz	RMORSXLVFDBGCN-UHFFFAOYSA-N	-2	1	197.581	1.310	10	0		ADAEML
O=C([O-])c1n[nH]c2cc([O-])cc(F)c12	14984156	171029295	/nfs/dbraw/zinc/02/92/95/171029295.db2.gz	AOIINTFZIPLFEF-UHFFFAOYSA-N	-2	1	196.137	1.106	10	0		ADAEML
O=C([O-])Cc1cc([O-])c(F)c(F)c1	21984048	171041144	/nfs/dbraw/zinc/04/11/44/171041144.db2.gz	DZOYIBBLXVMIKO-UHFFFAOYSA-N	-2	1	188.129	1.298	10	0		ADAEML
O=C([O-])c1[nH]ccc(=S)c1[S-]	75577700	171113715	/nfs/dbraw/zinc/11/37/15/171113715.db2.gz	CQXKYUCZASPJSD-UHFFFAOYSA-N	-2	1	187.245	1.357	10	0		ADAEML
CCSC(=S)[N-][C@H](C)C(=O)[O-]	33842627	171226040	/nfs/dbraw/zinc/22/60/40/171226040.db2.gz	WCIZDTOYENGUEG-SCSAIBSYSA-N	-2	1	193.293	1.087	10	0		ADAEML
CCSC(=S)[N-][C@@H](C)C(=O)[O-]	33842626	171226047	/nfs/dbraw/zinc/22/60/47/171226047.db2.gz	WCIZDTOYENGUEG-BYPYZUCNSA-N	-2	1	193.293	1.087	10	0		ADAEML
CCc1c[n-]n2c(=O)c(C)c([O-])nc12	71474345	343553089	/nfs/dbraw/zinc/55/30/89/343553089.db2.gz	UTCDILOOWHLZTF-UHFFFAOYSA-N	-2	1	193.206	1.011	10	0		ADAEML
O=C([O-])c1noc2c([O-])cccc12	212788460	344380315	/nfs/dbraw/zinc/38/03/15/344380315.db2.gz	XCGFZYCBEYCVQN-UHFFFAOYSA-N	-2	1	179.131	1.232	10	0		ADAEML
CCC(CC)(OC)[P@](=O)([O-])O	219789679	344428226	/nfs/dbraw/zinc/42/82/26/344428226.db2.gz	VCTVAZZMAACNNY-UHFFFAOYSA-N	-2	1	182.156	1.327	10	0		ADAEML
CCC(CC)(OC)P(=O)([O-])[O-]	219789679	344428228	/nfs/dbraw/zinc/42/82/28/344428228.db2.gz	VCTVAZZMAACNNY-UHFFFAOYSA-N	-2	1	182.156	1.327	10	0		ADAEML
O=C([O-])c1c(F)cc(F)c([O-])c1F	221371499	344442376	/nfs/dbraw/zinc/44/23/76/344442376.db2.gz	OQLHPUYOVBYIAD-UHFFFAOYSA-N	-2	1	192.092	1.508	10	0		ADAEML
O=C([O-])Cc1ncc([O-])cc1Cl	238619368	344815929	/nfs/dbraw/zinc/81/59/29/344815929.db2.gz	YFAZJFDWWYUYEX-UHFFFAOYSA-N	-2	1	187.582	1.068	10	0		ADAEML
O=C([O-])c1c(F)cc(F)c(F)c1[O-]	306818642	345634001	/nfs/dbraw/zinc/63/40/01/345634001.db2.gz	JYOXZQWUNFPLBN-UHFFFAOYSA-N	-2	1	192.092	1.508	10	0		ADAEML
Cc1ccc(C(=O)[O-])c2c([O-])coc12	307174521	345865448	/nfs/dbraw/zinc/86/54/48/345865448.db2.gz	QKPBMAXGLIPUNN-UHFFFAOYSA-N	-2	1	192.170	1.268	10	0		ADAEML
O=P([O-])([O-])COc1ccccc1	13836393	351372809	/nfs/dbraw/zinc/37/28/09/351372809.db2.gz	OXWZBKRJVHTTES-UHFFFAOYSA-N	-2	1	188.119	1.201	10	0		ADAEML
[O-]c1cc(F)cc(O)c1F	39088242	351490737	/nfs/dbraw/zinc/49/07/37/351490737.db2.gz	GSVHITOUYDSWNI-UHFFFAOYSA-N	-2	1	146.092	1.376	10	0		ADAEML
O=C([O-])Cc1ccc(F)c([O-])c1F	257966971	351856083	/nfs/dbraw/zinc/85/60/83/351856083.db2.gz	CGMNXMHFNFSVDG-UHFFFAOYSA-N	-2	1	188.129	1.298	10	0		ADAEML
Cc1coc(=O)c2cc(O)cc(O)c12	211637113	371708025	/nfs/dbraw/zinc/70/80/25/371708025.db2.gz	HEPDDYKWKYOYLX-UHFFFAOYSA-N	-2	1	192.170	1.513	10	0		ADAEML
O=C([O-])C[C@@H]1CCCc2c1[n-][nH]c2=O	74242690	573276984	/nfs/dbraw/zinc/27/69/84/573276984.db2.gz	AXNZPWZTTQOHCH-YFKPBYRVSA-N	-2	1	196.206	1.010	10	0		ADAEML
O=C([O-])Cc1onc2c([O-])cccc12	257830661	573560042	/nfs/dbraw/zinc/56/00/42/573560042.db2.gz	JASDAJDDCGTUPH-UHFFFAOYSA-N	-2	1	193.158	1.161	10	0		ADAEML
Cc1ccc(C)c(C(=O)C(=O)[O-])c1[O-]	75581569	573632454	/nfs/dbraw/zinc/63/24/54/573632454.db2.gz	ZSPGBDTVLLMHQK-UHFFFAOYSA-N	-2	1	194.186	1.276	10	0		ADAEML
CC(=O)c1cc(F)c([O-])c(C(=O)[O-])c1	258111079	573731239	/nfs/dbraw/zinc/73/12/39/573731239.db2.gz	PRGPAMCXSFUVRW-UHFFFAOYSA-N	-2	1	198.149	1.432	10	0		ADAEML
C/C=C/c1oc(=O)cc([O-])c1C(=O)[O-]	238068736	573754196	/nfs/dbraw/zinc/75/41/96/573754196.db2.gz	VKOYRMUPVQRBKA-NSCUHMNNSA-N	-2	1	196.158	1.077	10	0		ADAEML
Cc1cc(C)c(C(=O)C(=O)[O-])c([O-])c1	238533934	573838041	/nfs/dbraw/zinc/83/80/41/573838041.db2.gz	PTVLYEXYIAPKTQ-UHFFFAOYSA-N	-2	1	194.186	1.276	10	0		ADAEML
Cc1c([O-])nc([C@H]2CC2(C)C)[nH]c1=O	235807572	573926907	/nfs/dbraw/zinc/92/69/07/573926907.db2.gz	SDVUJRUWGUQPOJ-ZCFIWIBFSA-N	-2	1	194.234	1.297	10	0		ADAEML