smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C\C(=O)c2ccc([O-])cc2)cc(OC)c1O	ZINC000096766226	185386686	/nfs/dbraw/zinc/38/66/86/185386686.db2.gz	BGXJYHKLIKCZFF-BAQGIRSFSA-N	-1	1	300.310	3.011	50	30		DGEAMM
CC(=O)c1cccc2c1[N-]C(=C1Nc3ccccc3C1=O)C2=O	ZINC000103637731	432011688	/nfs/dbraw/zinc/01/16/88/432011688.db2.gz	WEEUEDBDJBMPDS-NXVVXOECSA-N	-1	1	304.305	3.017	50	30		DGEAMM
Cc1cccc(/C=C2\Oc3c(ccc([O-])c3CN(C)C)C2=O)c1	ZINC000002214076	431249657	/nfs/dbraw/zinc/24/96/57/431249657.db2.gz	MTINXHXFRMCURU-YVLHZVERSA-N	-1	1	309.365	3.378	50	30		DGEAMM
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc([O-])cc1	ZINC000005128117	431306493	/nfs/dbraw/zinc/30/64/93/431306493.db2.gz	RPLSXUHFLZEMSS-RMKNXTFCSA-N	-1	1	314.337	3.314	50	30		DGEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCC#N	ZINC000005128134	431309565	/nfs/dbraw/zinc/30/95/65/431309565.db2.gz	XGWOCOPXCUBDKO-KRXBUXKQSA-N	-1	1	309.321	3.199	50	30		DGEAMM
O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccccc2)n[nH]1	ZINC000071284071	431275434	/nfs/dbraw/zinc/27/54/34/431275434.db2.gz	VVVZXCQSBHNQLB-UHFFFAOYSA-N	-1	1	322.324	3.001	50	30		DGEAMM
N#CC(=C([O-])c1cc(=O)c2cc(Cl)ccc2o1)c1ccccn1	ZINC000012559988	431515442	/nfs/dbraw/zinc/51/54/42/431515442.db2.gz	SSEAELHQOBDILE-GFCCVEGCSA-N	-1	1	324.723	3.331	50	30		DGEAMM
COc1cc(C=Nc2ccccc2[O-])c([N+](=O)[O-])cc1OC	ZINC000252620464	432384766	/nfs/dbraw/zinc/38/47/66/432384766.db2.gz	MENRYVQGXNXVMB-UHFFFAOYSA-N	-1	1	302.286	3.068	50	30		DGEAMM
C=CCc1ccccc1OCCCSc1nc(C)cc(=O)[n-]1	ZINC000016381561	519143376	/nfs/dbraw/zinc/14/33/76/519143376.db2.gz	VEGITPHVYBDMNT-UHFFFAOYSA-N	-1	1	316.426	3.368	50	30		DGEAMM
COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)cc(Cl)c1O	ZINC000096920992	185391724	/nfs/dbraw/zinc/39/17/24/185391724.db2.gz	GBMMNHQMBRNMPL-MKMNVTDBSA-N	-1	1	318.712	3.376	50	30		DGEAMM
Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(C#N)c1C	ZINC000004570290	181125881	/nfs/dbraw/zinc/12/58/81/181125881.db2.gz	NBGOCUCWNDEGTP-UHFFFAOYSA-N	-1	1	307.356	3.459	50	30		DGEAMM
COc1cccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c1OC	ZINC000006670403	181368864	/nfs/dbraw/zinc/36/88/64/181368864.db2.gz	TUFZTRNWJVRCFX-NVNXTCNLSA-N	-1	1	312.321	3.334	50	30	biogenic	DGEAMM
C=CCN1C(=O)/C(=C/c2cccc([O-])c2Cl)SC1=S	ZINC000001136393	431217990	/nfs/dbraw/zinc/21/79/90/431217990.db2.gz	GMGYJZXSIURYPV-YFHOEESVSA-N	-1	1	311.815	3.433	50	30		DGEAMM
N#CC(=C([O-])c1cc(=O)c2cc(Cl)ccc2o1)c1ccccn1	ZINC000012559986	431516110	/nfs/dbraw/zinc/51/61/10/431516110.db2.gz	SSEAELHQOBDILE-LBPRGKRZSA-N	-1	1	324.723	3.331	50	30		DGEAMM
Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)on1	ZINC000012422396	280375945	/nfs/dbraw/zinc/37/59/45/280375945.db2.gz	LKGPWTMGVGJCLT-QMMMGPOBSA-N	-1	1	301.371	3.293	50	30		DGEAMM
Cc1ccc(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C)c1	ZINC000036714139	431840646	/nfs/dbraw/zinc/84/06/46/431840646.db2.gz	ISANMTSUQPRJGK-UHFFFAOYSA-N	-1	1	314.267	3.107	50	30		DGEAMM
CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CSc3ccccc32)n1	ZINC000328589845	434287309	/nfs/dbraw/zinc/28/73/09/434287309.db2.gz	DRYIEZUHUKDAIK-SNVBAGLBSA-N	-1	1	317.370	3.064	50	30		DGEAMM
COc1ccc(/C=C/C(=O)c2cc(OC)ccc2[O-])c(OC)c1	ZINC000004252622	181088641	/nfs/dbraw/zinc/08/86/41/181088641.db2.gz	JVWYLYZJBRZQMW-VMPITWQZSA-N	-1	1	314.337	3.314	50	30		DGEAMM
CC(N=Nc1ccc(C(=O)[O-])cc1)c1nc2ccccc2n1C	ZINC000005015352	181191289	/nfs/dbraw/zinc/19/12/89/181191289.db2.gz	OUTUVHKPTSVOEZ-YBFXNURJSA-N	-1	1	308.341	3.108	50	30		DGEAMM
COc1ccc(OC)c(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c1	ZINC000006624214	181362350	/nfs/dbraw/zinc/36/23/50/181362350.db2.gz	QTAVRUWYTHFJBX-PXNMLYILSA-N	-1	1	312.321	3.334	50	30	biogenic	DGEAMM
C#Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000058162142	184082788	/nfs/dbraw/zinc/08/27/88/184082788.db2.gz	FWFRVJDTTCXXSC-UHFFFAOYSA-N	-1	1	308.362	3.017	50	30		DGEAMM
CC/C(=N\[O-])c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2	ZINC000013126543	278162627	/nfs/dbraw/zinc/16/26/27/278162627.db2.gz	WMFPWFUGAKYJDY-XMHGGMMESA-N	-1	1	312.369	3.010	50	30		DGEAMM
CC/C(=N\O)c1c([O-])c2c(n(-c3ccccc3)c1=O)CCCC2	ZINC000013126543	278162629	/nfs/dbraw/zinc/16/26/29/278162629.db2.gz	WMFPWFUGAKYJDY-XMHGGMMESA-N	-1	1	312.369	3.010	50	30		DGEAMM
COc1ccc(NC(=O)N(Cc2ccccc2)C([O-])=CC#N)cc1	ZINC000000170876	431139317	/nfs/dbraw/zinc/13/93/17/431139317.db2.gz	IISDGIRJFZNJLG-UHFFFAOYSA-N	-1	1	323.352	3.170	50	30		DGEAMM
Cc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN(C)C)C1=O	ZINC000002209874	431248843	/nfs/dbraw/zinc/24/88/43/431248843.db2.gz	PCQSBAQWHVMLIY-YVLHZVERSA-N	-1	1	309.365	3.378	50	30		DGEAMM
CCCCCOc1ccc(C=Nn2cn[n-]c2=S)cc1OC	ZINC000006067061	520249899	/nfs/dbraw/zinc/24/98/99/520249899.db2.gz	QWCSJVXSSAXSAP-LICLKQGHSA-N	-1	1	320.418	3.400	50	30		DGEAMM
O=C(CCc1ccccc1F)Nc1n[n-]c(C(F)(F)F)n1	ZINC000026254173	527588024	/nfs/dbraw/zinc/58/80/24/527588024.db2.gz	YADVYPJGGCTJRZ-UHFFFAOYSA-N	-1	1	302.231	3.183	50	30		DGEAMM
COc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1OCC#N	ZINC000033472623	620696461	/nfs/dbraw/zinc/69/64/61/620696461.db2.gz	XGWOCOPXCUBDKO-WAPJZHGLSA-N	-1	1	309.321	3.199	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc3ccccc23)c(=O)o1	ZINC000003543681	181031847	/nfs/dbraw/zinc/03/18/47/181031847.db2.gz	IDZYJCUSNBFVSQ-QZEKMECESA-N	-1	1	306.317	3.068	50	30		DGEAMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000006316106	181329333	/nfs/dbraw/zinc/32/93/33/181329333.db2.gz	WNDLADSSNXWKPR-UHFFFAOYSA-N	-1	1	306.774	3.321	50	30		DGEAMM
CCOc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1OC	ZINC000000935983	431211396	/nfs/dbraw/zinc/21/13/96/431211396.db2.gz	MHOQTNFHEOVGCB-RQZCQDPDSA-N	-1	1	312.321	3.416	50	30		DGEAMM
CC1=CC(=NN=C2NC(=O)C(CC(=O)[O-])S2)CC(C)(C)C1	ZINC000004482552	431299543	/nfs/dbraw/zinc/29/95/43/431299543.db2.gz	HTROGAJFRPSZMM-XBTXGSBDSA-N	-1	1	309.391	3.011	50	30		DGEAMM
O=C([O-])CC1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O	ZINC000002826685	431272137	/nfs/dbraw/zinc/27/21/37/431272137.db2.gz	XVSSTWNZHSPTGO-QMMMGPOBSA-N	-1	1	318.276	3.240	50	30		DGEAMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000009356019	431431400	/nfs/dbraw/zinc/43/14/00/431431400.db2.gz	HBPPECUPAXIXKS-UHFFFAOYSA-N	-1	1	307.346	3.191	50	30		DGEAMM
CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ccc1[O-]	ZINC000032615292	431784058	/nfs/dbraw/zinc/78/40/58/431784058.db2.gz	JAPLVPNVLCPULM-UHFFFAOYSA-N	-1	1	300.745	3.189	50	30		DGEAMM
Cc1csc(-c2c([O-])cn(N=Cc3cccs3)c2N)n1	ZINC000102728227	431997384	/nfs/dbraw/zinc/99/73/84/431997384.db2.gz	YKIQVONXMBUOIV-VOKXQCRASA-N	-1	1	304.400	3.109	50	30		DGEAMM
CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000003448162	181021602	/nfs/dbraw/zinc/02/16/02/181021602.db2.gz	BMLZXVQSXSPWEF-UHFFFAOYSA-N	-1	1	304.396	3.081	50	30		DGEAMM
CCCc1cc(=O)[n-]c(SCc2cn3ccccc3c2C#N)n1	ZINC000058050407	184071153	/nfs/dbraw/zinc/07/11/53/184071153.db2.gz	WCEVUPDTPSBFDS-UHFFFAOYSA-N	-1	1	324.409	3.139	50	30		DGEAMM
Cc1csc(C(C#N)=C([O-])c2cccc(-c3noc(C)n3)c2)n1	ZINC000076089971	400634051	/nfs/dbraw/zinc/63/40/51/400634051.db2.gz	BUCMUERTAZCFRM-ZDUSSCGKSA-N	-1	1	324.365	3.300	50	30		DGEAMM
CCOc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1OC	ZINC000014140351	431579702	/nfs/dbraw/zinc/57/97/02/431579702.db2.gz	JNIWYOMFELNLOO-MFOYZWKCSA-N	-1	1	312.321	3.416	50	30		DGEAMM
COc1ccc(/C(=N\[O-])OC(=O)/C=C/c2cccs2)cc1	ZINC000014988644	523358737	/nfs/dbraw/zinc/35/87/37/523358737.db2.gz	FQFQEKOBOUGAQY-IZCPETMFSA-N	-1	1	303.339	3.149	50	30		DGEAMM
COc1ccc(NC(=CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1	ZINC000032933585	524376711	/nfs/dbraw/zinc/37/67/11/524376711.db2.gz	LUMALXCSHXOCJM-LFIBNONCSA-N	-1	1	311.337	3.267	50	30	biogenic	DGEAMM
COc1cc(/C=N/[O-])ccc1OC(=O)c1ccccc1Cl	ZINC000220978632	546266133	/nfs/dbraw/zinc/26/61/33/546266133.db2.gz	NMPQVWGHAJWKLW-RQZCQDPDSA-N	-1	1	305.717	3.376	50	30		DGEAMM
O=C1c2ccc([O-])c(O)c2C/C1=C/c1cccc2c1OCCCO2	ZINC000584908300	1094874689	/nfs/dbraw/zinc/87/46/89/1094874689.db2.gz	VYXDMPXKAOGMBC-XFXZXTDPSA-N	-1	1	324.332	3.082	50	30		DGEAMM
C=CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[n-]c1=O	ZINC000009288045	431428528	/nfs/dbraw/zinc/42/85/28/431428528.db2.gz	FRZFJNARWQQUKZ-UHFFFAOYSA-N	-1	1	321.384	3.110	50	30		DGEAMM
Cc1c(Br)c([O-])n2c3ccccc3nc2c1C#N	ZINC000006469937	280199542	/nfs/dbraw/zinc/19/95/42/280199542.db2.gz	DLBASMWDZKZKBQ-UHFFFAOYSA-N	-1	1	302.131	3.136	50	30		DGEAMM
O=C(CCCOc1ccccc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036744333	431841160	/nfs/dbraw/zinc/84/11/60/431841160.db2.gz	JDMHUWFVUZNKCP-UHFFFAOYSA-N	-1	1	314.267	3.271	50	30		DGEAMM
O=C1c2ccc([O-])cc2CC/C1=C/c1ccc(-n2cncn2)cc1	ZINC000098055739	431976982	/nfs/dbraw/zinc/97/69/82/431976982.db2.gz	QONIBVBCKBGAFI-DHDCSXOGSA-N	-1	1	317.348	3.185	50	30		DGEAMM
CC(=O)N(C1=C([O-])C(=O)c2ccccc2C1=O)C1CCCCC1	ZINC000100436384	431981961	/nfs/dbraw/zinc/98/19/61/431981961.db2.gz	HIMGWSNRHDYYFX-UHFFFAOYSA-N	-1	1	313.353	3.016	50	30		DGEAMM
C=CCc1c(C)nc(SCC(=O)c2cccs2)[n-]c1=O	ZINC000018044077	519122255	/nfs/dbraw/zinc/12/22/55/519122255.db2.gz	NKKJBRXWNRKVTB-UHFFFAOYSA-N	-1	1	306.412	3.256	50	30		DGEAMM
O=C(Nc1nnn[n-]1)[C@@H](Sc1ccccc1)c1ccccc1	ZINC000033887871	527588125	/nfs/dbraw/zinc/58/81/25/527588125.db2.gz	QIRYDJXAHWFKJW-ZDUSSCGKSA-N	-1	1	311.370	3.321	50	30		DGEAMM
O=C(Nc1nn[n-]n1)[C@@H](Sc1ccccc1)c1ccccc1	ZINC000033887871	527588128	/nfs/dbraw/zinc/58/81/28/527588128.db2.gz	QIRYDJXAHWFKJW-ZDUSSCGKSA-N	-1	1	311.370	3.321	50	30		DGEAMM
O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)ccc2F)c(O)c1	ZINC000328598720	656062328	/nfs/dbraw/zinc/06/23/28/656062328.db2.gz	NYLPGJTUCXQZOX-QHHAFSJGSA-N	-1	1	304.248	3.265	50	30		DGEAMM
C=CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)n[n-]c1=S	ZINC000004739092	181145421	/nfs/dbraw/zinc/14/54/21/181145421.db2.gz	FQHYWDRSYOZKDD-UHFFFAOYSA-N	-1	1	322.821	3.270	50	30		DGEAMM
CCCOc1cc(-c2[nH]c(=S)[n-]c(=O)c2C#N)ccc1OC	ZINC000005009603	181189855	/nfs/dbraw/zinc/18/98/55/181189855.db2.gz	XIZBGHINHOVTFV-UHFFFAOYSA-N	-1	1	317.370	3.181	50	30		DGEAMM
COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1OC	ZINC000006623933	181362290	/nfs/dbraw/zinc/36/22/90/181362290.db2.gz	UHQQJZGLALFQOZ-PXNMLYILSA-N	-1	1	312.321	3.334	50	30	biogenic	DGEAMM
CC(=O)c1cccc2c1[N-]C(=C1Nc3ccccc3C1=O)C2=O	ZINC000100490298	275506580	/nfs/dbraw/zinc/50/65/80/275506580.db2.gz	WEEUEDBDJBMPDS-FOCLMDBBSA-N	-1	1	304.305	3.017	50	30		DGEAMM
O=C([O-])CC1SC(=Nc2cccc(C(F)(F)F)c2)NC1=O	ZINC000002826683	431271913	/nfs/dbraw/zinc/27/19/13/431271913.db2.gz	XVSSTWNZHSPTGO-MRVPVSSYSA-N	-1	1	318.276	3.240	50	30		DGEAMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1	ZINC000010514755	431463793	/nfs/dbraw/zinc/46/37/93/431463793.db2.gz	SVNJSQHFTPPWJU-UHFFFAOYSA-N	-1	1	322.773	3.021	50	30		DGEAMM
C=CCn1c(-c2sc(NC(=O)C(C)C)nc2C)n[n-]c1=S	ZINC000012982881	431539914	/nfs/dbraw/zinc/53/99/14/431539914.db2.gz	GFIHWZVEONUKOA-UHFFFAOYSA-N	-1	1	323.447	3.153	50	30		DGEAMM
Cc1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2[nH]1	ZINC000031721911	431764088	/nfs/dbraw/zinc/76/40/88/431764088.db2.gz	XKJARMSDIAFNEF-UHFFFAOYSA-N	-1	1	311.366	3.149	50	30		DGEAMM
Cc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000036714118	431841125	/nfs/dbraw/zinc/84/11/25/431841125.db2.gz	GZVKOIJGRVRXJN-QMMMGPOBSA-N	-1	1	314.267	3.187	50	30		DGEAMM
O=C(CCc1cc(F)ccc1F)Nc1n[n-]c(C(F)(F)F)n1	ZINC000053797304	431965946	/nfs/dbraw/zinc/96/59/46/431965946.db2.gz	IKGLMJAXNWZCLY-UHFFFAOYSA-N	-1	1	320.221	3.323	50	30		DGEAMM
O=C(C=C([O-])C(=O)Nc1nccs1)c1ccc(Cl)cc1	ZINC000100330974	431981762	/nfs/dbraw/zinc/98/17/62/431981762.db2.gz	ZFLGTHCQGZOKJN-XFFZJAGNSA-N	-1	1	308.746	3.060	50	30		DGEAMM
C=C(Br)CN1CCC(C(=O)c2ccc([O-])cc2)CC1	ZINC000095431533	185363146	/nfs/dbraw/zinc/36/31/46/185363146.db2.gz	URFGIBDIULVRKW-UHFFFAOYSA-N	-1	1	324.218	3.196	50	30		DGEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(F)c1)O2	ZINC000020518743	273802389	/nfs/dbraw/zinc/80/23/89/273802389.db2.gz	FFQXYFGODHNBNW-SXGWCWSVSA-N	-1	1	313.328	3.209	50	30		DGEAMM
N#Cc1ccccc1NC(=O)c1cnc2ccc(F)cc2c1[O-]	ZINC000012391168	431507199	/nfs/dbraw/zinc/50/71/99/431507199.db2.gz	SXNGXECGCHHWBY-UHFFFAOYSA-N	-1	1	307.284	3.203	50	30		DGEAMM
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1	ZINC000013002039	431543552	/nfs/dbraw/zinc/54/35/52/431543552.db2.gz	OTPNQMFGCRRUCL-UHFFFAOYSA-N	-1	1	310.737	3.152	50	30		DGEAMM
N/C(=N\[O-])c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000013142939	431548722	/nfs/dbraw/zinc/54/87/22/431548722.db2.gz	JASJRKPHJVGORG-UHFFFAOYSA-N	-1	1	307.693	3.135	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1cnn(-c2ccccc2)c1	ZINC000028621525	431707791	/nfs/dbraw/zinc/70/77/91/431707791.db2.gz	BXXIZENQNRQQRL-CAOOACKPSA-N	-1	1	304.305	3.194	50	30		DGEAMM
Cc1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2[nH]1	ZINC000031721912	431764743	/nfs/dbraw/zinc/76/47/43/431764743.db2.gz	HXJXHCMSSJNUNA-UHFFFAOYSA-N	-1	1	311.366	3.149	50	30		DGEAMM
Cc1cccc(C)c1OCC(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036714126	431841185	/nfs/dbraw/zinc/84/11/85/431841185.db2.gz	YYGOFKJNPRPPCI-UHFFFAOYSA-N	-1	1	314.267	3.107	50	30		DGEAMM
O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1[O-]	ZINC000252606077	432384263	/nfs/dbraw/zinc/38/42/63/432384263.db2.gz	GPEVFWSTIKKLTH-UHFFFAOYSA-N	-1	1	314.326	3.356	50	30		DGEAMM
CCn1c(C)c(C=NNc2nc(C)cc(=O)[n-]2)c2ccccc21	ZINC000254343760	658079677	/nfs/dbraw/zinc/07/96/77/658079677.db2.gz	YJCVZUBQDHPHSB-UHFFFAOYSA-N	-1	1	309.373	3.220	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(C)(C)C)cc2)c(=O)o1	ZINC000033477522	660135055	/nfs/dbraw/zinc/13/50/55/660135055.db2.gz	IBBBPQZCYKTBEQ-CGQZWFTASA-N	-1	1	312.365	3.212	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(C)(C)C)cc2)c(=O)o1	ZINC000003582109	181036848	/nfs/dbraw/zinc/03/68/48/181036848.db2.gz	IBBBPQZCYKTBEQ-JEJOPICUSA-N	-1	1	312.365	3.212	50	30		DGEAMM
CSc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1	ZINC000003612892	181040851	/nfs/dbraw/zinc/04/08/51/181040851.db2.gz	KWOTUMJKAISWSK-UHFFFAOYSA-N	-1	1	318.423	3.275	50	30		DGEAMM
C#CCOc1ccc2ccccc2c1C=C1SC(=O)[N-]C1=O	ZINC000005908717	181294917	/nfs/dbraw/zinc/29/49/17/181294917.db2.gz	ZPUMFJNNRZXLBT-GDNBJRDFSA-N	-1	1	309.346	3.176	50	30		DGEAMM
COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2[O-])cc1	ZINC000039216324	183014799	/nfs/dbraw/zinc/01/47/99/183014799.db2.gz	JGYYVILPBDGMNE-UXBLZVDNSA-N	-1	1	314.337	3.314	50	30		DGEAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1	ZINC000007056098	431330464	/nfs/dbraw/zinc/33/04/64/431330464.db2.gz	GKIHKOVLIUQIGG-UHFFFAOYSA-N	-1	1	300.383	3.482	50	30		DGEAMM
N#CCCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21	ZINC000007155205	431335353	/nfs/dbraw/zinc/33/53/53/431335353.db2.gz	BIFQGFSFZCXGFT-JYRVWZFOSA-N	-1	1	313.407	3.044	50	30		DGEAMM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1	ZINC000012552095	431515680	/nfs/dbraw/zinc/51/56/80/431515680.db2.gz	IXUUGJJMGFYZHK-UHFFFAOYSA-N	-1	1	312.394	3.238	50	30		DGEAMM
COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc(Cl)c1O	ZINC000016976108	182066915	/nfs/dbraw/zinc/06/69/15/182066915.db2.gz	GBMMNHQMBRNMPL-NSIKDUERSA-N	-1	1	318.712	3.376	50	30		DGEAMM
Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccc(F)cc3)o2)n1	ZINC000606346814	400901381	/nfs/dbraw/zinc/90/13/81/400901381.db2.gz	BFERMMVCYHYVSZ-UHFFFAOYSA-N	-1	1	312.304	3.336	50	30		DGEAMM
Cc1ccsc1/C=C1\Oc2c(ccc([O-])c2CN(C)C)C1=O	ZINC000002439684	431250914	/nfs/dbraw/zinc/25/09/14/431250914.db2.gz	FCPXYZIXJQYMOE-ZSOIEALJSA-N	-1	1	315.394	3.440	50	30		DGEAMM
CN(C)c1ccc(CC2=C([O-])c3ccccc3C(=O)C2=O)cc1	ZINC000003141815	431285428	/nfs/dbraw/zinc/28/54/28/431285428.db2.gz	HHCGFOUSYZUBCR-UHFFFAOYSA-N	-1	1	307.349	3.186	50	30		DGEAMM
CCCc1cc(=O)[n-]c(SCc2cc(C#N)ccc2F)n1	ZINC000011220197	431472815	/nfs/dbraw/zinc/47/28/15/431472815.db2.gz	LDIHVSKTYSGJDL-UHFFFAOYSA-N	-1	1	303.362	3.025	50	30		DGEAMM
CCCc1cc(=O)[n-]c(NN=C(C)c2ccc(Cl)cc2)n1	ZINC000011363920	431474768	/nfs/dbraw/zinc/47/47/68/431474768.db2.gz	NCTNGXAPKGANRA-VXLYETTFSA-N	-1	1	304.781	3.212	50	30		DGEAMM
CC(=O)c1c(C)oc([N-]C(=O)c2ccc(F)c(F)c2F)c1C#N	ZINC000012295032	431500324	/nfs/dbraw/zinc/50/03/24/431500324.db2.gz	WAASAFZBKQQJOM-UHFFFAOYSA-N	-1	1	322.242	3.332	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1ccc(-n2ccnc2)cc1	ZINC000012547420	280330802	/nfs/dbraw/zinc/33/08/02/280330802.db2.gz	YATFMVDZWBNPCC-RQZCQDPDSA-N	-1	1	304.305	3.194	50	30		DGEAMM
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc([O-])cc2)cs1	ZINC000028621263	431708131	/nfs/dbraw/zinc/70/81/31/431708131.db2.gz	RVDOMBWZGSORJZ-RMKNXTFCSA-N	-1	1	316.382	3.118	50	30		DGEAMM
Cc1cccc(/C=C\C(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000098052984	431977082	/nfs/dbraw/zinc/97/70/82/431977082.db2.gz	YBYMRAONAMPDNH-KHPPLWFESA-N	-1	1	315.394	3.263	50	30		DGEAMM
CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CSc3ccccc32)n1	ZINC000328589843	434286255	/nfs/dbraw/zinc/28/62/55/434286255.db2.gz	DRYIEZUHUKDAIK-JTQLQIEISA-N	-1	1	317.370	3.064	50	30		DGEAMM
CCc1nnsc1C(=O)[N-]c1nnc(-c2ccccc2)s1	ZINC000022747857	522807809	/nfs/dbraw/zinc/80/78/09/522807809.db2.gz	CVSGFZHBUOWLFJ-UHFFFAOYSA-N	-1	1	317.399	3.255	50	30		DGEAMM
O=[N+]([O-])c1ccc([O-])c(C=NN=c2ccc3ccccc3[nH]2)c1	ZINC000036290026	527369133	/nfs/dbraw/zinc/36/91/33/527369133.db2.gz	GBXZYECIRHNWJN-LICLKQGHSA-N	-1	1	308.297	3.295	50	30		DGEAMM
Cc1cccc(/C=C/C(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000089668987	662246310	/nfs/dbraw/zinc/24/63/10/662246310.db2.gz	YBYMRAONAMPDNH-ZHACJKMWSA-N	-1	1	315.394	3.263	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc(-n2ccnc2)c(F)c1	ZINC000096991248	185395377	/nfs/dbraw/zinc/39/53/77/185395377.db2.gz	DHTQWSBHSVOASL-IUXPMGMMSA-N	-1	1	322.295	3.333	50	30		DGEAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1	ZINC000003435279	181019564	/nfs/dbraw/zinc/01/95/64/181019564.db2.gz	GOQSCAGWFAFCLP-UHFFFAOYSA-N	-1	1	300.383	3.482	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(C)(C)C)cc2)c(=O)o1	ZINC000003582096	181036961	/nfs/dbraw/zinc/03/69/61/181036961.db2.gz	IBBBPQZCYKTBEQ-PYUISTEWSA-N	-1	1	312.365	3.212	50	30		DGEAMM
CCCOc1ccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)cc1OC	ZINC000015859796	182021605	/nfs/dbraw/zinc/02/16/05/182021605.db2.gz	ZGRRXRIBTKFGHT-UHFFFAOYSA-N	-1	1	317.370	3.181	50	30		DGEAMM
O=C1c2ccc([O-])cc2CC/C1=C/c1ccc(-n2ccnc2)nc1	ZINC000606444484	400912938	/nfs/dbraw/zinc/91/29/38/400912938.db2.gz	MGABDORGXWSNRK-DHDCSXOGSA-N	-1	1	317.348	3.185	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1coc2ccccc2c1=O	ZINC000000935999	275031111	/nfs/dbraw/zinc/03/11/11/275031111.db2.gz	BACCSXNLWHXKRV-APSNUPSMSA-N	-1	1	306.273	3.115	50	30		DGEAMM
C=CCn1c([C@H](NC(=O)c2ccccc2)C(C)C)n[n-]c1=S	ZINC000000366581	431173996	/nfs/dbraw/zinc/17/39/96/431173996.db2.gz	URANZJIWUPQVLH-CYBMUJFWSA-N	-1	1	316.430	3.254	50	30		DGEAMM
O=C([O-])c1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1	ZINC000000457735	431187048	/nfs/dbraw/zinc/18/70/48/431187048.db2.gz	GLZSDIMNGWESIQ-LICLKQGHSA-N	-1	1	324.365	3.188	50	30		DGEAMM
N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000069869897	431229968	/nfs/dbraw/zinc/22/99/68/431229968.db2.gz	VWAJIYGRZZHKSK-UHFFFAOYSA-N	-1	1	318.423	3.493	50	30		DGEAMM
CC(=O)NC([N-]c1cccc(F)c1)(C(F)(F)F)C(F)(F)F	ZINC000003138051	431283530	/nfs/dbraw/zinc/28/35/30/431283530.db2.gz	AXMSKIVMFOMWPN-UHFFFAOYSA-N	-1	1	318.192	3.195	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=S)Nc2ccccc2)cc1	ZINC000005419903	431309248	/nfs/dbraw/zinc/30/92/48/431309248.db2.gz	YRWXBKFHKPTRKR-UHFFFAOYSA-N	-1	1	306.412	3.082	50	30		DGEAMM
Cc1ccc(S(=O)(=O)N=C([S-])Nc2ccccc2)cc1	ZINC000005419903	431309252	/nfs/dbraw/zinc/30/92/52/431309252.db2.gz	YRWXBKFHKPTRKR-UHFFFAOYSA-N	-1	1	306.412	3.082	50	30		DGEAMM
C=C(C)CSc1nc(C)c(CC(=O)OCCCC)c(=O)[n-]1	ZINC000012652025	431521356	/nfs/dbraw/zinc/52/13/56/431521356.db2.gz	YOEAYHGIBVJQDI-UHFFFAOYSA-N	-1	1	310.419	3.045	50	30		DGEAMM
Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)on1	ZINC000012422395	280375604	/nfs/dbraw/zinc/37/56/04/280375604.db2.gz	LKGPWTMGVGJCLT-MRVPVSSYSA-N	-1	1	301.371	3.293	50	30		DGEAMM
O=C(C=CNc1cccc2ccccc21)C1=C([O-])CCCC1=O	ZINC000100435836	431981935	/nfs/dbraw/zinc/98/19/35/431981935.db2.gz	IITGHMHUQDEZND-QXMHVHEDSA-N	-1	1	307.349	3.273	50	30		DGEAMM
CC[C@@H](C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl	ZINC000450988354	535395992	/nfs/dbraw/zinc/39/59/92/535395992.db2.gz	NSWLGHGRAFVSKZ-QMMMGPOBSA-N	-1	1	314.819	3.135	50	30		DGEAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000016607394	182053452	/nfs/dbraw/zinc/05/34/52/182053452.db2.gz	KZZBKMOVGUWOME-ZVCOJXFSSA-N	-1	1	321.336	3.126	50	30		DGEAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000016607394	182053453	/nfs/dbraw/zinc/05/34/53/182053453.db2.gz	KZZBKMOVGUWOME-ZVCOJXFSSA-N	-1	1	321.336	3.126	50	30		DGEAMM
Cc1ccccc1/C=C/C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000060208329	184145154	/nfs/dbraw/zinc/14/51/54/184145154.db2.gz	JXVFUQZUIDIJRV-VAWYXSNFSA-N	-1	1	315.394	3.263	50	30		DGEAMM
O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)ccc2F)c(O)c1	ZINC000606443508	400913493	/nfs/dbraw/zinc/91/34/93/400913493.db2.gz	NYLPGJTUCXQZOX-KXFIGUGUSA-N	-1	1	304.248	3.265	50	30		DGEAMM
Cc1cc(Br)c([O-])c(NC(=O)C2(C#N)CCCC2)c1	ZINC000182910967	228370514	/nfs/dbraw/zinc/37/05/14/228370514.db2.gz	SKOZTHNSRTWFLC-UHFFFAOYSA-N	-1	1	323.190	3.486	50	30		DGEAMM
CCN1c2ccccc2C(=N[N-]c2nc3ccccc3o2)C1=O	ZINC000254287456	432401476	/nfs/dbraw/zinc/40/14/76/432401476.db2.gz	GADVZIZRANNSHD-UHFFFAOYSA-N	-1	1	306.325	3.011	50	30		DGEAMM
C=CCN(Cc1cccc(OCC)c1)C(=O)c1ncccc1[O-]	ZINC000055370111	518783579	/nfs/dbraw/zinc/78/35/79/518783579.db2.gz	HHLDATBJQSBPOY-UHFFFAOYSA-N	-1	1	312.369	3.014	50	30		DGEAMM
CC(Nc1cc([N+](=O)[O-])ccc1[O-])=C1C(=O)c2ccccc2C1=O	ZINC000004395945	656265216	/nfs/dbraw/zinc/26/52/16/656265216.db2.gz	TXRRHUOPDSQIPM-UHFFFAOYSA-N	-1	1	324.292	3.066	50	30		DGEAMM
CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1	ZINC000263631061	657105442	/nfs/dbraw/zinc/10/54/42/657105442.db2.gz	YHVABMZUNYPYOQ-UHFFFAOYSA-N	-1	1	310.279	3.346	50	30		DGEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(OC)c1O	ZINC000006639651	181363747	/nfs/dbraw/zinc/36/37/47/181363747.db2.gz	BGXJYHKLIKCZFF-FPYGCLRLSA-N	-1	1	300.310	3.011	50	30		DGEAMM
CCCCOc1cc(Br)c(/C=N/[O-])cc1OC	ZINC000002102046	431244982	/nfs/dbraw/zinc/24/49/82/431244982.db2.gz	ZTROBTMUOJNUOW-RIYZIHGNSA-N	-1	1	302.168	3.445	50	30		DGEAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1ccccc1F	ZINC000002765168	431266492	/nfs/dbraw/zinc/26/64/92/431266492.db2.gz	XBKMBZQGWWVUKV-UHFFFAOYSA-N	-1	1	319.176	3.010	50	30		DGEAMM
O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)[nH][n-]1	ZINC000008383357	431397108	/nfs/dbraw/zinc/39/71/08/431397108.db2.gz	COOWRBFMLIKBFQ-UHFFFAOYSA-N	-1	1	318.551	3.309	50	30		DGEAMM
C=CCc1cc(C=C2SC(=S)[N-]C2=O)cc(OCC)c1O	ZINC000013942128	431572652	/nfs/dbraw/zinc/57/26/52/431572652.db2.gz	GUIXEUCAFVYJCD-XYOKQWHBSA-N	-1	1	321.423	3.008	50	30		DGEAMM
COc1cccc(/C=C/C(=O)c2ccc(OC)c(OC)c2[O-])c1	ZINC000048057110	431918180	/nfs/dbraw/zinc/91/81/80/431918180.db2.gz	OLJFRURUEAUPAA-VQHVLOKHSA-N	-1	1	314.337	3.314	50	30		DGEAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000100150000	431981106	/nfs/dbraw/zinc/98/11/06/431981106.db2.gz	KZZBKMOVGUWOME-YDDPGSGASA-N	-1	1	321.336	3.126	50	30		DGEAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000100150000	431981108	/nfs/dbraw/zinc/98/11/08/431981108.db2.gz	KZZBKMOVGUWOME-YDDPGSGASA-N	-1	1	321.336	3.126	50	30		DGEAMM
N#CCCN(Cc1ccc([O-])c(Cl)c1)Cc1ccccn1	ZINC000093100431	526456763	/nfs/dbraw/zinc/45/67/63/526456763.db2.gz	KMWNEFQHGBHAHP-UHFFFAOYSA-N	-1	1	301.777	3.356	50	30		DGEAMM
O=C(Nc1nnn[n-]1)C1c2ccccc2Sc2ccccc21	ZINC000022780207	655745049	/nfs/dbraw/zinc/74/50/49/655745049.db2.gz	RKHFGCLNXAXTIQ-UHFFFAOYSA-N	-1	1	309.354	3.084	50	30		DGEAMM
O=C(Nc1nn[n-]n1)C1c2ccccc2Sc2ccccc21	ZINC000022780207	655745052	/nfs/dbraw/zinc/74/50/52/655745052.db2.gz	RKHFGCLNXAXTIQ-UHFFFAOYSA-N	-1	1	309.354	3.084	50	30		DGEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1	ZINC000006328147	181330255	/nfs/dbraw/zinc/33/02/55/181330255.db2.gz	JFMPYLWTKWXYHY-UHFFFAOYSA-N	-1	1	312.394	3.238	50	30		DGEAMM
COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)c(OC)c1OC	ZINC000006646303	181364473	/nfs/dbraw/zinc/36/44/73/181364473.db2.gz	IADNGYLQKAGRJN-UXBLZVDNSA-N	-1	1	314.337	3.314	50	30		DGEAMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1	ZINC000006703843	181375035	/nfs/dbraw/zinc/37/50/35/181375035.db2.gz	DRIPKXDVAXZLRX-UHFFFAOYSA-N	-1	1	319.382	3.061	50	30		DGEAMM
CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(-n2ccnc2)cc1	ZINC000606347255	400901061	/nfs/dbraw/zinc/90/10/61/400901061.db2.gz	WEMUNNMUGUQEJO-UHFFFAOYSA-N	-1	1	320.352	3.407	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000000005282	431112255	/nfs/dbraw/zinc/11/22/55/431112255.db2.gz	YOIDHZBOHMNTNP-UHFFFAOYSA-N	-1	1	324.789	3.363	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C)cc2C)cc1	ZINC000000384273	431173020	/nfs/dbraw/zinc/17/30/20/431173020.db2.gz	OBARWVNFIATNPJ-UHFFFAOYSA-N	-1	1	318.398	3.327	50	30		DGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(C)cc2C)cc1	ZINC000000384273	431173027	/nfs/dbraw/zinc/17/30/27/431173027.db2.gz	OBARWVNFIATNPJ-UHFFFAOYSA-N	-1	1	318.398	3.327	50	30		DGEAMM
O=C(Oc1ccc(/C=N/[O-])cc1)c1ccc(Br)cc1	ZINC000000451502	431185338	/nfs/dbraw/zinc/18/53/38/431185338.db2.gz	GFUPHRHGERBPGE-CXUHLZMHSA-N	-1	1	320.142	3.476	50	30		DGEAMM
[O-]/N=C/c1ccccc1OCCCOc1ccccc1/C=N/O	ZINC000009028141	431422074	/nfs/dbraw/zinc/42/20/74/431422074.db2.gz	WVXWPUKXKGVISQ-KLCVKJMQSA-N	-1	1	314.341	3.151	50	30		DGEAMM
CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc([O-])cc2)cs1	ZINC000096794638	431956559	/nfs/dbraw/zinc/95/65/59/431956559.db2.gz	RVDOMBWZGSORJZ-TWGQIWQCSA-N	-1	1	316.382	3.118	50	30		DGEAMM
CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2[nH]1	ZINC000225497100	432693177	/nfs/dbraw/zinc/69/31/77/432693177.db2.gz	SATKBLAGRBFLQN-CYBMUJFWSA-N	-1	1	320.352	3.021	50	30		DGEAMM
O=C(Nc1nnn[n-]1)[C@H](Sc1ccccc1)c1ccccc1	ZINC000033887872	527586886	/nfs/dbraw/zinc/58/68/86/527586886.db2.gz	QIRYDJXAHWFKJW-CYBMUJFWSA-N	-1	1	311.370	3.321	50	30		DGEAMM
O=C(Nc1nn[n-]n1)[C@H](Sc1ccccc1)c1ccccc1	ZINC000033887872	527586891	/nfs/dbraw/zinc/58/68/91/527586891.db2.gz	QIRYDJXAHWFKJW-CYBMUJFWSA-N	-1	1	311.370	3.321	50	30		DGEAMM
Cc1ccc(C(=O)CC2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000004946042	656446160	/nfs/dbraw/zinc/44/61/60/656446160.db2.gz	HZNYQWSPVNDRKM-UHFFFAOYSA-N	-1	1	306.317	3.459	50	30		DGEAMM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000006510002	181348042	/nfs/dbraw/zinc/34/80/42/181348042.db2.gz	YURHYOOMAIIFSB-UHFFFAOYSA-N	-1	1	310.737	3.152	50	30		DGEAMM
C=CCn1c([C@H](C)NC(=O)c2ccccc2Cl)n[n-]c1=S	ZINC000006556173	181353933	/nfs/dbraw/zinc/35/39/33/181353933.db2.gz	ZZGXTWSJPALZQN-VIFPVBQESA-N	-1	1	322.821	3.271	50	30		DGEAMM
Cc1ccc([O-])c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1	ZINC000000061737	431116164	/nfs/dbraw/zinc/11/61/64/431116164.db2.gz	HLMCVCSRGPGONN-FRKPEAEDSA-N	-1	1	300.270	3.088	50	30		DGEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc2c1OCCO2	ZINC000007718066	431363134	/nfs/dbraw/zinc/36/31/34/431363134.db2.gz	QHJYTICXCHYYEW-FARCUNLSSA-N	-1	1	312.321	3.068	50	30	biogenic	DGEAMM
COc1ccc(C(=O)/C=C/c2ccc(F)cc2)c([O-])c1OC	ZINC000094986156	431920623	/nfs/dbraw/zinc/92/06/23/431920623.db2.gz	AKUXVYORGUNVQE-WEVVVXLNSA-N	-1	1	302.301	3.445	50	30		DGEAMM
CCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000101006959	619120794	/nfs/dbraw/zinc/12/07/94/619120794.db2.gz	RXCPUPOQBCOFQD-GFOMBABLSA-N	-1	1	324.332	3.223	50	30		DGEAMM
COc1ccc([O-])c(C(=O)/C=C/c2cccc(OC)c2OC)c1	ZINC000004252620	181088366	/nfs/dbraw/zinc/08/83/66/181088366.db2.gz	NRAAGHLLAJEOAZ-VQHVLOKHSA-N	-1	1	314.337	3.314	50	30		DGEAMM
C=CCn1c([C@@H](C)NC(=O)c2ccccc2Cl)n[n-]c1=S	ZINC000006556234	181353968	/nfs/dbraw/zinc/35/39/68/181353968.db2.gz	ZZGXTWSJPALZQN-SECBINFHSA-N	-1	1	322.821	3.271	50	30		DGEAMM
C=CC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000006725971	181377314	/nfs/dbraw/zinc/37/73/14/181377314.db2.gz	GCSFYBGIXNQMQO-UHFFFAOYSA-N	-1	1	300.594	3.111	50	30		DGEAMM
Cc1cc([O-])c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1C	ZINC000013114972	181829633	/nfs/dbraw/zinc/82/96/33/181829633.db2.gz	MFBMCBSRUOIKGC-REZTVBANSA-N	-1	1	314.297	3.397	50	30		DGEAMM
COc1c(Br)cc(Br)cc1/C=N/[O-]	ZINC000006735436	286175200	/nfs/dbraw/zinc/17/52/00/286175200.db2.gz	MVSJGXIBRQAPML-NYYWCZLTSA-N	-1	1	308.957	3.028	50	30		DGEAMM
C=CCCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1	ZINC000068435579	431128573	/nfs/dbraw/zinc/12/85/73/431128573.db2.gz	NDUKGAHGKNPZTC-UHFFFAOYSA-N	-1	1	308.451	3.194	50	30		DGEAMM
O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc([O-])cc1	ZINC000005128090	431306948	/nfs/dbraw/zinc/30/69/48/431306948.db2.gz	HPQUWDGWGFZIFY-XCVCLJGOSA-N	-1	1	309.365	3.125	50	30		DGEAMM
Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=Cc1ccco1	ZINC000102723593	431996964	/nfs/dbraw/zinc/99/69/64/431996964.db2.gz	ANCJXLYYJHZRBE-UCTOFYTJSA-N	-1	1	324.365	3.485	50	30		DGEAMM
COC(=O)C[C@@H](CC(C)C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217644531	337383587	/nfs/dbraw/zinc/38/35/87/337383587.db2.gz	PUYKVAACYDFUCQ-LLVKDONJSA-N	-1	1	316.353	3.103	50	30	biogenic	DGEAMM
C=CCc1cccc(C)c1OCCSc1nc(C)cc(=O)[n-]1	ZINC000016381762	519141688	/nfs/dbraw/zinc/14/16/88/519141688.db2.gz	NRBGADNOOYTTQY-UHFFFAOYSA-N	-1	1	316.426	3.286	50	30		DGEAMM
O=C(CC([O-])(C(F)(F)F)C(F)(F)F)Nc1cccc(F)c1	ZINC000002863323	655781367	/nfs/dbraw/zinc/78/13/67/655781367.db2.gz	VRXOTDDCKAZDDU-UHFFFAOYSA-N	-1	1	319.176	3.010	50	30		DGEAMM
COc1ccc([O-])c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1	ZINC000004252626	181088304	/nfs/dbraw/zinc/08/83/04/181088304.db2.gz	IMKDKCPLUHCOBP-QPJJXVBHSA-N	-1	1	314.337	3.314	50	30		DGEAMM
Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN(C)C)C2=O)cc1	ZINC000004339492	181100279	/nfs/dbraw/zinc/10/02/79/181100279.db2.gz	WESDRBVZIXBMPS-YVLHZVERSA-N	-1	1	309.365	3.378	50	30		DGEAMM
COc1ccc2[nH]cc(/C=C3\Oc4cc([O-])ccc4C3=O)c2c1	ZINC000165824987	400752735	/nfs/dbraw/zinc/75/27/35/400752735.db2.gz	OEKKLBIHYARCAA-FMQZQXMHSA-N	-1	1	307.305	3.498	50	30	biogenic	DGEAMM
Cc1cc([O-])c(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1C	ZINC000252620501	228637067	/nfs/dbraw/zinc/63/70/67/228637067.db2.gz	MFBMCBSRUOIKGC-UHFFFAOYSA-N	-1	1	314.297	3.397	50	30		DGEAMM
Cn1cc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc21	ZINC000068423405	431129176	/nfs/dbraw/zinc/12/91/76/431129176.db2.gz	WIZUZHCPMDTBDS-UHFFFAOYSA-N	-1	1	323.278	3.146	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000000337659	431167870	/nfs/dbraw/zinc/16/78/70/431167870.db2.gz	FNTLHVFCGBSMTC-UHFFFAOYSA-N	-1	1	318.398	3.327	50	30		DGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cc(C)cc(C)c2)cc1	ZINC000000337659	431167879	/nfs/dbraw/zinc/16/78/79/431167879.db2.gz	FNTLHVFCGBSMTC-UHFFFAOYSA-N	-1	1	318.398	3.327	50	30		DGEAMM
C=CCn1c([C@@H](NC(=O)c2ccccc2)C(C)C)n[n-]c1=S	ZINC000000366580	431172743	/nfs/dbraw/zinc/17/27/43/431172743.db2.gz	URANZJIWUPQVLH-ZDUSSCGKSA-N	-1	1	316.430	3.254	50	30		DGEAMM
C=CCOc1cc(Br)c(/C=N/[O-])cc1OCC	ZINC000002101826	431246028	/nfs/dbraw/zinc/24/60/28/431246028.db2.gz	CLVIYPXWDSPMSH-RIYZIHGNSA-N	-1	1	300.152	3.221	50	30		DGEAMM
O=C(c1ccccc1)c1ccc2c3c1cccc3C(=O)N([O-])C2=O	ZINC000005234386	431308608	/nfs/dbraw/zinc/30/86/08/431308608.db2.gz	AFGMHSZWGJYWFH-UHFFFAOYSA-N	-1	1	317.300	3.056	50	30	in-vitro	DGEAMM
C#CCSc1nc(C)c(Cc2c(F)cccc2Cl)c(=O)[n-]1	ZINC000008648089	431402281	/nfs/dbraw/zinc/40/22/81/431402281.db2.gz	KZPGTKKUUPOFMT-UHFFFAOYSA-N	-1	1	322.792	3.187	50	30		DGEAMM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccccc1[O-]	ZINC000032843648	431795724	/nfs/dbraw/zinc/79/57/24/431795724.db2.gz	GTMMOOBMPKCYCY-UHFFFAOYSA-N	-1	1	307.309	3.208	50	30		DGEAMM
CCCCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)n1	ZINC000187468359	432665325	/nfs/dbraw/zinc/66/53/25/432665325.db2.gz	DWJPTTYKQDHTCR-ZDUSSCGKSA-N	-1	1	321.384	3.358	50	30		DGEAMM
CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2[nH]1	ZINC000225497128	432693019	/nfs/dbraw/zinc/69/30/19/432693019.db2.gz	SATKBLAGRBFLQN-ZDUSSCGKSA-N	-1	1	320.352	3.021	50	30		DGEAMM
COC(=O)C[C@H](CC(C)C)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217644438	337383568	/nfs/dbraw/zinc/38/35/68/337383568.db2.gz	PUYKVAACYDFUCQ-NSHDSACASA-N	-1	1	316.353	3.103	50	30	biogenic	DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2ccc(C(C)(C)C)cc2)c(=O)o1	ZINC000033477524	660135140	/nfs/dbraw/zinc/13/51/40/660135140.db2.gz	IBBBPQZCYKTBEQ-JEZWAEDTSA-N	-1	1	312.365	3.212	50	30		DGEAMM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000016100703	182033989	/nfs/dbraw/zinc/03/39/89/182033989.db2.gz	MKMUPSSMYKLDPW-UHFFFAOYSA-N	-1	1	310.737	3.152	50	30		DGEAMM
O=C(CCn1ccc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1	ZINC000043997137	183392213	/nfs/dbraw/zinc/39/22/13/183392213.db2.gz	NIQIGPASRDVDBZ-UHFFFAOYSA-N	-1	1	323.278	3.457	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc3ccccc23)c(=O)o1	ZINC000105639294	194117319	/nfs/dbraw/zinc/11/73/19/194117319.db2.gz	IDZYJCUSNBFVSQ-LPADLIQXSA-N	-1	1	306.317	3.068	50	30		DGEAMM
CCN(C(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1	ZINC000003257555	431290990	/nfs/dbraw/zinc/29/09/90/431290990.db2.gz	QNQXDKLXQJICCV-UHFFFAOYSA-N	-1	1	318.398	3.124	50	30		DGEAMM
CCN(C([O-])=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	ZINC000003257555	431290996	/nfs/dbraw/zinc/29/09/96/431290996.db2.gz	QNQXDKLXQJICCV-UHFFFAOYSA-N	-1	1	318.398	3.124	50	30		DGEAMM
O=[N+]([O-])c1cccc(C=NN=c2ccc3ccccc3[nH]2)c1[O-]	ZINC000033849272	431816621	/nfs/dbraw/zinc/81/66/21/431816621.db2.gz	RLGCDBYMJUKHRX-LICLKQGHSA-N	-1	1	308.297	3.295	50	30	in-vitro	DGEAMM
CCCCOc1cc(Br)c(C=N[O-])cc1OC	ZINC000252643259	432385038	/nfs/dbraw/zinc/38/50/38/432385038.db2.gz	ZTROBTMUOJNUOW-UHFFFAOYSA-N	-1	1	302.168	3.445	50	30		DGEAMM
Cc1nc2ccccc2n1N=Cc1cc(O)c([O-])c(Cl)c1	ZINC000254500610	432402874	/nfs/dbraw/zinc/40/28/74/432402874.db2.gz	DOQRCGOFLFNCED-UHFFFAOYSA-N	-1	1	301.733	3.292	50	30		DGEAMM
N#Cc1ccc(N)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000005985654	181303432	/nfs/dbraw/zinc/30/34/32/181303432.db2.gz	GRRXSQRGJPQURC-UHFFFAOYSA-N	-1	1	323.377	3.094	50	30		DGEAMM
C=CCn1c(=S)[n-]nc1Cc1nc2cc(Cl)ccc2[nH]1	ZINC000006498674	181346911	/nfs/dbraw/zinc/34/69/11/181346911.db2.gz	DGIYKLTZTCMAQI-UHFFFAOYSA-N	-1	1	305.794	3.247	50	30		DGEAMM
COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c(OC)c1	ZINC000006624197	181362117	/nfs/dbraw/zinc/36/21/17/181362117.db2.gz	RQKRWJAYJBRDOG-APSNUPSMSA-N	-1	1	312.321	3.334	50	30	biogenic	DGEAMM
C=CCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[n-]c1=O	ZINC000009288035	181612033	/nfs/dbraw/zinc/61/20/33/181612033.db2.gz	MTDAZKSCEXDTMU-UHFFFAOYSA-N	-1	1	321.384	3.110	50	30		DGEAMM
Cc1cc([O-])c(CN(C)C)c2c1C(=O)/C(=C/c1cccs1)O2	ZINC000020573066	280634881	/nfs/dbraw/zinc/63/48/81/280634881.db2.gz	UGLOWBYPGUWQOP-ZSOIEALJSA-N	-1	1	315.394	3.440	50	30		DGEAMM
Cc1[nH][n-]c(=O)c1N=Nc1ccc(Br)c(Cl)c1	ZINC000095082633	431921344	/nfs/dbraw/zinc/92/13/44/431921344.db2.gz	ZNITVEQHGKLOHP-UHFFFAOYSA-N	-1	1	315.558	3.216	50	30		DGEAMM
C=CCN(CC#Cc1ccccc1)Cc1ccccc1C(=O)[O-]	ZINC000055402130	431981379	/nfs/dbraw/zinc/98/13/79/431981379.db2.gz	ALXWKRABCSVEOB-UHFFFAOYSA-N	-1	1	305.377	3.425	50	30		DGEAMM
O=C(C=C([O-])C(=O)Nc1nccs1)c1cccc(Cl)c1	ZINC000100692060	431982439	/nfs/dbraw/zinc/98/24/39/431982439.db2.gz	FWPBDNZTSMLSPY-XFFZJAGNSA-N	-1	1	308.746	3.060	50	30		DGEAMM
CCCCn1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)n1	ZINC000187468342	432665747	/nfs/dbraw/zinc/66/57/47/432665747.db2.gz	DWJPTTYKQDHTCR-CYBMUJFWSA-N	-1	1	321.384	3.358	50	30		DGEAMM
CCCCOc1ccc(C=Nn2cn[n-]c2=S)cc1OCC	ZINC000005849254	331492949	/nfs/dbraw/zinc/49/29/49/331492949.db2.gz	NYONLNANNZAHHU-LICLKQGHSA-N	-1	1	320.418	3.400	50	30		DGEAMM
O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1[O-]	ZINC000036032852	527326228	/nfs/dbraw/zinc/32/62/28/527326228.db2.gz	GPEVFWSTIKKLTH-OVCLIPMQSA-N	-1	1	314.326	3.356	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cnn(-c2ccccc2)c1	ZINC000084572999	662201773	/nfs/dbraw/zinc/20/17/73/662201773.db2.gz	BXXIZENQNRQQRL-IUXPMGMMSA-N	-1	1	304.305	3.194	50	30		DGEAMM
C=CCn1c(COc2ccc(C)cc2OCC)n[n-]c1=S	ZINC000005444466	181244472	/nfs/dbraw/zinc/24/44/72/181244472.db2.gz	OUKMTMVNDKUJHI-UHFFFAOYSA-N	-1	1	305.403	3.413	50	30		DGEAMM
C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)n[n-]c1=S	ZINC000006761263	181384914	/nfs/dbraw/zinc/38/49/14/181384914.db2.gz	DAMAJUGBLXHCME-UHFFFAOYSA-N	-1	1	321.402	3.210	50	30		DGEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1F)O2	ZINC000020624773	182240157	/nfs/dbraw/zinc/24/01/57/182240157.db2.gz	MZHZRYHDVWMOQT-SXGWCWSVSA-N	-1	1	313.328	3.209	50	30		DGEAMM
COc1ccc(NC(=CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1	ZINC000002333159	431248735	/nfs/dbraw/zinc/24/87/35/431248735.db2.gz	LUMALXCSHXOCJM-WJDWOHSUSA-N	-1	1	311.337	3.267	50	30		DGEAMM
C=C[C@@H](C)Sc1nc(C)c(Cc2ccc(F)cc2)c(=O)[n-]1	ZINC000013468396	431558108	/nfs/dbraw/zinc/55/81/08/431558108.db2.gz	HYYHRMGBRSYGFG-SNVBAGLBSA-N	-1	1	304.390	3.475	50	30		DGEAMM
O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccccc2)N1[O-]	ZINC000013139453	431549204	/nfs/dbraw/zinc/54/92/04/431549204.db2.gz	RQFGMMDOEYXKTC-MRXNPFEDSA-N	-1	1	306.325	3.032	50	30		DGEAMM
O=C(Cc1c[nH]c2ccccc12)Nc1n[n-]c(C(F)(F)F)n1	ZINC000036714167	431840619	/nfs/dbraw/zinc/84/06/19/431840619.db2.gz	STBZFEXYPGVFOU-UHFFFAOYSA-N	-1	1	309.251	3.136	50	30		DGEAMM
Cc1ccc(NC=CC(=O)C2=C([O-])CC(C)(C)CC2=O)cc1C	ZINC000100102445	431980637	/nfs/dbraw/zinc/98/06/37/431980637.db2.gz	KIGIMGJCAZILRU-FPLPWBNLSA-N	-1	1	313.397	3.373	50	30		DGEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(C)cc2)cc1	ZINC000102897473	1199464614	/nfs/dbraw/zinc/46/46/14/1199464614.db2.gz	KJKBOUFOQWACFL-GZTJUZNOSA-N	-1	1	311.337	3.267	50	30		DGEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(OC)c1OC	ZINC000004367487	181102479	/nfs/dbraw/zinc/10/24/79/181102479.db2.gz	UTPDEDVSUZRNQN-RUDMXATFSA-N	-1	1	314.337	3.314	50	30	biogenic	DGEAMM
C=CCn1c(CCC(=O)Nc2ccccc2Cl)n[n-]c1=S	ZINC000004736537	181144692	/nfs/dbraw/zinc/14/46/92/181144692.db2.gz	JWDQDWRZLUYSPB-UHFFFAOYSA-N	-1	1	322.821	3.351	50	30		DGEAMM
C=CCOc1ccc2ccccc2c1CNn1cn[n-]c1=S	ZINC000006192703	181318159	/nfs/dbraw/zinc/31/81/59/181318159.db2.gz	AAWOANXTFBEDHG-UHFFFAOYSA-N	-1	1	312.398	3.402	50	30		DGEAMM
Cc1cc([O-])c(CN(C)C)c2c1C(=O)/C(=C/c1ccccc1)O2	ZINC000020573510	182234156	/nfs/dbraw/zinc/23/41/56/182234156.db2.gz	QDXUHNUSENKIPU-YBEGLDIGSA-N	-1	1	309.365	3.378	50	30		DGEAMM
CSc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1	ZINC000007053485	257218839	/nfs/dbraw/zinc/21/88/39/257218839.db2.gz	LRYAEQQUWJHAAR-UHFFFAOYSA-N	-1	1	304.396	3.081	50	30		DGEAMM
O=C1[N-]C(=O)C(=Cc2cccc(C#Cc3ccccc3)c2)S1	ZINC000001039851	431213044	/nfs/dbraw/zinc/21/30/44/431213044.db2.gz	ZLVLXAGGQIHVLJ-VBKFSLOCSA-N	-1	1	305.358	3.410	50	30		DGEAMM
C=CCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[n-]c1=O	ZINC000009288052	431426816	/nfs/dbraw/zinc/42/68/16/431426816.db2.gz	VBZQCNZCJKNEFN-UHFFFAOYSA-N	-1	1	321.384	3.110	50	30		DGEAMM
CCc1ccc(S(=O)(=O)N=C([S-])Nc2ccccc2)cc1	ZINC000013545193	431556994	/nfs/dbraw/zinc/55/69/94/431556994.db2.gz	HQEGBBLRQUEPOS-UHFFFAOYSA-N	-1	1	320.439	3.336	50	30		DGEAMM
O=C(C=C([O-])C(=O)Nc1ccccc1F)c1ccc(F)cc1	ZINC000101355449	431983944	/nfs/dbraw/zinc/98/39/44/431983944.db2.gz	HBAIRXFDMKVEQO-DHDCSXOGSA-N	-1	1	303.264	3.228	50	30		DGEAMM
CN(C)c1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-]	ZINC000033534589	618623320	/nfs/dbraw/zinc/62/33/20/618623320.db2.gz	AMLPGMMUIOSAKO-WMZJFQQLSA-N	-1	1	312.325	3.263	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1ccc(-n2ccnc2)cc1	ZINC000096930467	185392519	/nfs/dbraw/zinc/39/25/19/185392519.db2.gz	YATFMVDZWBNPCC-MFOYZWKCSA-N	-1	1	304.305	3.194	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc3ccccc23)c(=O)o1	ZINC000105639299	194116700	/nfs/dbraw/zinc/11/67/00/194116700.db2.gz	IDZYJCUSNBFVSQ-HJCTWCACSA-N	-1	1	306.317	3.068	50	30		DGEAMM
O=C1c2ccccc2OC/C1=C\c1cc(O)c([O-])c(Cl)c1	ZINC000008055428	285025002	/nfs/dbraw/zinc/02/50/02/285025002.db2.gz	GZLWANMLBJMYOY-BJMVGYQFSA-N	-1	1	302.713	3.410	50	30		DGEAMM
COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000606347246	400901284	/nfs/dbraw/zinc/90/12/84/400901284.db2.gz	LUHSXMCRRWKTTE-UHFFFAOYSA-N	-1	1	314.341	3.238	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1	ZINC000010514768	431463910	/nfs/dbraw/zinc/46/39/10/431463910.db2.gz	VEGBDQWUZZLLAT-UHFFFAOYSA-N	-1	1	306.774	3.321	50	30		DGEAMM
COc1ccc(NC(=O)C([O-])=CC(=O)c2ccc(C)cc2)cc1	ZINC000100755226	431982532	/nfs/dbraw/zinc/98/25/32/431982532.db2.gz	KJKBOUFOQWACFL-BOPFTXTBSA-N	-1	1	311.337	3.267	50	30		DGEAMM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1	ZINC000408516458	434584997	/nfs/dbraw/zinc/58/49/97/434584997.db2.gz	IJVJXHGKBZXQSO-CYBMUJFWSA-N	-1	1	311.341	3.068	50	30		DGEAMM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000168793419	534015576	/nfs/dbraw/zinc/01/55/76/534015576.db2.gz	TWJBOOLUQKFGHR-UHFFFAOYSA-N	-1	1	322.773	3.027	50	30		DGEAMM
Cc1cc(=O)[n-]c(NN=Cc2cccc(Oc3ccccc3)c2)n1	ZINC000008701911	526120196	/nfs/dbraw/zinc/12/01/96/526120196.db2.gz	YRVOWTVLOOFIHY-XDHOZWIPSA-N	-1	1	320.352	3.317	50	30		DGEAMM
O=C1c2ccc([O-])cc2O/C1=C/c1ccc(-n2ccnc2)c(F)c1	ZINC000025061164	527123304	/nfs/dbraw/zinc/12/33/04/527123304.db2.gz	DHTQWSBHSVOASL-CAOOACKPSA-N	-1	1	322.295	3.333	50	30		DGEAMM
CCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000105055640	627489013	/nfs/dbraw/zinc/48/90/13/627489013.db2.gz	RXCPUPOQBCOFQD-CNZFZVQHSA-N	-1	1	324.332	3.223	50	30		DGEAMM
CCOC(=O)c1[n-]cnc1N=C(Nc1ccccc1)SCC	ZINC000004817750	181155933	/nfs/dbraw/zinc/15/59/33/181155933.db2.gz	JUMDJFMCABZPTO-UHFFFAOYSA-N	-1	1	318.402	3.439	50	30		DGEAMM
CC(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000006316344	181328984	/nfs/dbraw/zinc/32/89/84/181328984.db2.gz	PITAIPGCHSMCBC-UHFFFAOYSA-N	-1	1	300.383	3.482	50	30		DGEAMM
C=C(C)Cc1c(COC)nc(SCC(=O)C(C)(C)C)[n-]c1=O	ZINC000018152325	182095191	/nfs/dbraw/zinc/09/51/91/182095191.db2.gz	HHOQZBMGUVTHBA-UHFFFAOYSA-N	-1	1	324.446	3.155	50	30		DGEAMM
O=C1c2ccc([O-])c(O)c2C/C1=C\c1cccc2c1OCCCO2	ZINC000157221201	285015912	/nfs/dbraw/zinc/01/59/12/285015912.db2.gz	VYXDMPXKAOGMBC-FMIVXFBMSA-N	-1	1	324.332	3.082	50	30		DGEAMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000000378885	431173344	/nfs/dbraw/zinc/17/33/44/431173344.db2.gz	JXMMWSFWBDKVQZ-UHFFFAOYSA-N	-1	1	306.774	3.207	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C)c(F)c2)cc1	ZINC000000203301	431144887	/nfs/dbraw/zinc/14/48/87/431144887.db2.gz	BOJZPTNZJAELAC-UHFFFAOYSA-N	-1	1	322.361	3.157	50	30		DGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(C)c(F)c2)cc1	ZINC000000203301	431144892	/nfs/dbraw/zinc/14/48/92/431144892.db2.gz	BOJZPTNZJAELAC-UHFFFAOYSA-N	-1	1	322.361	3.157	50	30		DGEAMM
C=CCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000002966865	431278962	/nfs/dbraw/zinc/27/89/62/431278962.db2.gz	YHWRPTNDJULNKW-YRNVUSSQSA-N	-1	1	311.815	3.394	50	30		DGEAMM
CCC(=N[O-])c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2	ZINC000252634272	432383998	/nfs/dbraw/zinc/38/39/98/432383998.db2.gz	WMFPWFUGAKYJDY-UHFFFAOYSA-N	-1	1	312.369	3.010	50	30		DGEAMM
CCC(=NO)c1c([O-])c2c(n(-c3ccccc3)c1=O)CCCC2	ZINC000252634272	432384002	/nfs/dbraw/zinc/38/40/02/432384002.db2.gz	WMFPWFUGAKYJDY-UHFFFAOYSA-N	-1	1	312.369	3.010	50	30		DGEAMM
O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1ccc([O-])cc1	ZINC000033711343	620740310	/nfs/dbraw/zinc/74/03/10/620740310.db2.gz	HPQUWDGWGFZIFY-KMKOMSMNSA-N	-1	1	309.365	3.125	50	30		DGEAMM
CCN(CC)c1ccc(-c2[nH]c(=S)[n-]c(=O)c2C#N)cc1	ZINC000002350658	431251241	/nfs/dbraw/zinc/25/12/41/431251241.db2.gz	VVJKDTKKOFHEOW-UHFFFAOYSA-N	-1	1	300.387	3.230	50	30		DGEAMM
Clc1ccc(-c2ccc(CN=Nc3nn[n-]n3)o2)cc1Cl	ZINC000006862962	431322221	/nfs/dbraw/zinc/32/22/21/431322221.db2.gz	ATJPGHHPMMNTQP-GIDUJCDVSA-N	-1	1	323.143	3.213	50	30		DGEAMM
C=C[C@H](C)Sc1nc(C)c(Cc2ccc(F)cc2)c(=O)[n-]1	ZINC000013468399	431558198	/nfs/dbraw/zinc/55/81/98/431558198.db2.gz	HYYHRMGBRSYGFG-JTQLQIEISA-N	-1	1	304.390	3.475	50	30		DGEAMM
CCOc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1OC	ZINC000014198548	431585762	/nfs/dbraw/zinc/58/57/62/431585762.db2.gz	MHOQTNFHEOVGCB-MFOYZWKCSA-N	-1	1	312.321	3.416	50	30		DGEAMM
CCOC(=O)C(CC(=O)c1ccc([O-])cc1)=Nc1ccccc1	ZINC000100565055	431981942	/nfs/dbraw/zinc/98/19/42/431981942.db2.gz	LVIIZFHIVCCVIK-VBKFSLOCSA-N	-1	1	311.337	3.134	50	30		DGEAMM
COc1ccc(C(=O)CC2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000005687022	181271806	/nfs/dbraw/zinc/27/18/06/181271806.db2.gz	JKIXNOKNJFWMNV-UHFFFAOYSA-N	-1	1	322.316	3.159	50	30		DGEAMM
COc1cc(C=Nc2ccc(-n3[n-]c(C)cc3=O)cc2)ccc1O	ZINC000002160708	431244381	/nfs/dbraw/zinc/24/43/81/431244381.db2.gz	AISVVMYLTSJLDV-YBFXNURJSA-N	-1	1	323.352	3.264	50	30		DGEAMM
CCSc1ncc(-c2nccn2-c2cc(C#N)ccc2[O-])cn1	ZINC000077338589	431585350	/nfs/dbraw/zinc/58/53/50/431585350.db2.gz	MRILPYCCEPMHGX-UHFFFAOYSA-N	-1	1	323.381	3.019	50	30		DGEAMM
CC[C@H](C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl	ZINC000450988353	434517290	/nfs/dbraw/zinc/51/72/90/434517290.db2.gz	NSWLGHGRAFVSKZ-MRVPVSSYSA-N	-1	1	314.819	3.135	50	30		DGEAMM
N#CCCn1cc(C=C2SC(=S)[N-]C2=O)c2ccccc21	ZINC000015565970	618726207	/nfs/dbraw/zinc/72/62/07/618726207.db2.gz	BIFQGFSFZCXGFT-MDWZMJQESA-N	-1	1	313.407	3.044	50	30		DGEAMM
N#Cc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)nc1	ZINC000076068425	660086638	/nfs/dbraw/zinc/08/66/38/660086638.db2.gz	RXBRJYYIRARJQU-BQYQJAHWSA-N	-1	1	319.773	3.019	50	30		DGEAMM
CCOc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1OC	ZINC000096920994	185391639	/nfs/dbraw/zinc/39/16/39/185391639.db2.gz	SZCWVHBDQXAYTK-CXUHLZMHSA-N	-1	1	312.321	3.416	50	30		DGEAMM
CCOc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1OC	ZINC000096930448	185392494	/nfs/dbraw/zinc/39/24/94/185392494.db2.gz	JNIWYOMFELNLOO-RQZCQDPDSA-N	-1	1	312.321	3.416	50	30		DGEAMM
Cc1csc(C(C#N)=C([O-])c2cccc(-c3noc(C)n3)c2)n1	ZINC000076089973	400634485	/nfs/dbraw/zinc/63/44/85/400634485.db2.gz	BUCMUERTAZCFRM-CYBMUJFWSA-N	-1	1	324.365	3.300	50	30		DGEAMM
CC([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100043452	431980455	/nfs/dbraw/zinc/98/04/55/431980455.db2.gz	NQPVZXRGQCXFLN-UHFFFAOYSA-N	-1	1	304.108	3.003	50	30		DGEAMM
CCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000105055643	627489179	/nfs/dbraw/zinc/48/91/79/627489179.db2.gz	RXCPUPOQBCOFQD-GIFJBRJJSA-N	-1	1	324.332	3.223	50	30		DGEAMM
O=C1c2ccc([O-])cc2CC/C1=C\c1ccc(-n2cncn2)cc1	ZINC000084383608	657409727	/nfs/dbraw/zinc/40/97/27/657409727.db2.gz	QONIBVBCKBGAFI-OQLLNIDSSA-N	-1	1	317.348	3.185	50	30		DGEAMM
Cc1cc([O-])c(C(=O)C=Cc2cccc3ccccc23)c(=O)o1	ZINC000003543683	181032463	/nfs/dbraw/zinc/03/24/63/181032463.db2.gz	IDZYJCUSNBFVSQ-BBVFFXRHSA-N	-1	1	306.317	3.068	50	30		DGEAMM
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000067726588	432038410	/nfs/dbraw/zinc/03/84/10/432038410.db2.gz	YFIAQBUFRMSMBO-CHWSQXEVSA-N	-1	1	309.369	3.071	50	30		DGEAMM
Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1-c1ccccc1	ZINC000606346850	400901204	/nfs/dbraw/zinc/90/12/04/400901204.db2.gz	GEPJGKKELCVHTF-UHFFFAOYSA-N	-1	1	321.384	3.344	50	30		DGEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2	ZINC000020533441	276810053	/nfs/dbraw/zinc/81/00/53/276810053.db2.gz	YVHOBXVKWCUWAD-ZSOIEALJSA-N	-1	1	301.367	3.132	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C)ccc2F)cc1	ZINC000000205670	431145110	/nfs/dbraw/zinc/14/51/10/431145110.db2.gz	QLUMZLBBSBMHQD-UHFFFAOYSA-N	-1	1	322.361	3.157	50	30		DGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cc(C)ccc2F)cc1	ZINC000000205670	431145115	/nfs/dbraw/zinc/14/51/15/431145115.db2.gz	QLUMZLBBSBMHQD-UHFFFAOYSA-N	-1	1	322.361	3.157	50	30		DGEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000007056129	431330935	/nfs/dbraw/zinc/33/09/35/431330935.db2.gz	KGYNYLKOZBPTNI-UHFFFAOYSA-N	-1	1	312.394	3.238	50	30		DGEAMM
C/C(=N\[O-])c1ccc(OC(=O)c2ccc(Br)o2)cc1	ZINC000013468034	431556631	/nfs/dbraw/zinc/55/66/31/431556631.db2.gz	CQJJSKLTTYOKEI-OVCLIPMQSA-N	-1	1	324.130	3.460	50	30		DGEAMM
C/C(=N\O)c1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000013118525	431546138	/nfs/dbraw/zinc/54/61/38/431546138.db2.gz	RJBXEJYPGVRXEF-DEDYPNTBSA-N	-1	1	320.348	3.408	50	30		DGEAMM
C/C(=N\[O-])c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000013118525	431546142	/nfs/dbraw/zinc/54/61/42/431546142.db2.gz	RJBXEJYPGVRXEF-DEDYPNTBSA-N	-1	1	320.348	3.408	50	30		DGEAMM
COc1ccc(C=CC(=O)C2=C([O-])c3ccccc3C2=O)cc1	ZINC000085376181	431838804	/nfs/dbraw/zinc/83/88/04/431838804.db2.gz	HUFUXHKIGOEYBW-DHZHZOJOSA-N	-1	1	306.317	3.443	50	30		DGEAMM
N#Cc1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)nc1	ZINC000104214143	627414764	/nfs/dbraw/zinc/41/47/64/627414764.db2.gz	RXBRJYYIRARJQU-FPLPWBNLSA-N	-1	1	319.773	3.019	50	30		DGEAMM
COc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1	ZINC000004070539	181069668	/nfs/dbraw/zinc/06/96/68/181069668.db2.gz	UMZBYPJNUUPJQM-GORDUTHDSA-N	-1	1	312.321	3.068	50	30		DGEAMM
Nc1ccccc1NC(=CC(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000004819479	181156484	/nfs/dbraw/zinc/15/64/84/181156484.db2.gz	GHOXWRJZAYMHEO-ZROIWOOFSA-N	-1	1	316.744	3.186	50	30		DGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C)cc1	ZINC000004858044	181164714	/nfs/dbraw/zinc/16/47/14/181164714.db2.gz	GLIYADHNEDXQKT-UHFFFAOYSA-N	-1	1	304.371	3.018	50	30		DGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccccc2C)cc1	ZINC000004858044	181164715	/nfs/dbraw/zinc/16/47/15/181164715.db2.gz	GLIYADHNEDXQKT-UHFFFAOYSA-N	-1	1	304.371	3.018	50	30		DGEAMM
CN(C)c1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-]	ZINC000005692712	181273511	/nfs/dbraw/zinc/27/35/11/181273511.db2.gz	AMLPGMMUIOSAKO-ONNFQVAWSA-N	-1	1	312.325	3.263	50	30		DGEAMM
O=C1c2ccccc2OC/C1=C/c1cc(O)c([O-])c(Cl)c1	ZINC000096843552	285024999	/nfs/dbraw/zinc/02/49/99/285024999.db2.gz	GZLWANMLBJMYOY-YHYXMXQVSA-N	-1	1	302.713	3.410	50	30		DGEAMM
COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000606347254	400901092	/nfs/dbraw/zinc/90/10/92/400901092.db2.gz	UUPPTPTUXFBZEN-UHFFFAOYSA-N	-1	1	314.341	3.238	50	30		DGEAMM
COC(=O)c1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1	ZINC000006624119	277426232	/nfs/dbraw/zinc/42/62/32/277426232.db2.gz	SXEPGDGDXMEOCS-NVNXTCNLSA-N	-1	1	310.305	3.103	50	30	biogenic	DGEAMM
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000003071440	431282533	/nfs/dbraw/zinc/28/25/33/431282533.db2.gz	NIJMHYGOPZGUGL-UHFFFAOYSA-N	-1	1	300.383	3.482	50	30		DGEAMM
CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000007056185	431329464	/nfs/dbraw/zinc/32/94/64/431329464.db2.gz	OBBJNBDEDFIDKN-UHFFFAOYSA-N	-1	1	300.383	3.482	50	30		DGEAMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000009319773	431429735	/nfs/dbraw/zinc/42/97/35/431429735.db2.gz	NDYPKJJXCXQZBM-UHFFFAOYSA-N	-1	1	300.383	3.230	50	30		DGEAMM
C=CCOc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O	ZINC000013895206	431573165	/nfs/dbraw/zinc/57/31/65/431573165.db2.gz	YHWRPTNDJULNKW-XFFZJAGNSA-N	-1	1	311.815	3.394	50	30		DGEAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)s1	ZINC000029972293	431731692	/nfs/dbraw/zinc/73/16/92/431731692.db2.gz	IYPVRBNCDALFTF-UHFFFAOYSA-N	-1	1	306.412	3.232	50	30		DGEAMM
COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)c(OC)c1OC	ZINC000033415109	431811765	/nfs/dbraw/zinc/81/17/65/431811765.db2.gz	IADNGYLQKAGRJN-POHAHGRESA-N	-1	1	314.337	3.314	50	30		DGEAMM
Cc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000036714119	431840671	/nfs/dbraw/zinc/84/06/71/431840671.db2.gz	GZVKOIJGRVRXJN-MRVPVSSYSA-N	-1	1	314.267	3.187	50	30		DGEAMM
Cc1ccccc1/C=C\C(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000096313917	431944862	/nfs/dbraw/zinc/94/48/62/431944862.db2.gz	JXVFUQZUIDIJRV-QXMHVHEDSA-N	-1	1	315.394	3.263	50	30		DGEAMM
COc1ccc(C)cc1NC(=O)C([O-])=CC(=O)c1ccccc1	ZINC000101355145	431983925	/nfs/dbraw/zinc/98/39/25/431983925.db2.gz	DHNJCKHTSZIARV-WJDWOHSUSA-N	-1	1	311.337	3.267	50	30		DGEAMM
COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccccc2F)c1	ZINC000101355537	431984238	/nfs/dbraw/zinc/98/42/38/431984238.db2.gz	VIKONXFQQYBCET-YBEGLDIGSA-N	-1	1	315.300	3.098	50	30		DGEAMM
COc1ccc2c(CN=Nc3ccc(C(=O)[O-])cc3)c[nH]c2c1	ZINC000005576959	181259285	/nfs/dbraw/zinc/25/92/85/181259285.db2.gz	RXPCBVCAIOTJMB-VXLYETTFSA-N	-1	1	309.325	3.321	50	30		DGEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(F)cc1)O2	ZINC000020624399	182240220	/nfs/dbraw/zinc/24/02/20/182240220.db2.gz	PELLYWQDQTXWEE-SXGWCWSVSA-N	-1	1	313.328	3.209	50	30		DGEAMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000007402739	431347499	/nfs/dbraw/zinc/34/74/99/431347499.db2.gz	LYLJLWCMXCHKRD-UHFFFAOYSA-N	-1	1	306.774	3.321	50	30		DGEAMM
COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl	ZINC000007428337	431350080	/nfs/dbraw/zinc/35/00/80/431350080.db2.gz	PVHHEOMNISYWNL-UHFFFAOYSA-N	-1	1	322.773	3.021	50	30		DGEAMM
N#Cc1c(=O)[n-]c(=S)[nH]c1-c1cccc(Br)c1	ZINC000016741810	431613698	/nfs/dbraw/zinc/61/36/98/431613698.db2.gz	VJLXOZNMBDAUMK-UHFFFAOYSA-N	-1	1	308.160	3.146	50	30		DGEAMM
O=C(C=C([O-])C(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1	ZINC000101355464	431983920	/nfs/dbraw/zinc/98/39/20/431983920.db2.gz	ZEFZUVLARMCEET-NVNXTCNLSA-N	-1	1	321.254	3.367	50	30		DGEAMM
C=CCOc1cc(Br)c(C=N[O-])cc1OCC	ZINC000252596716	432384459	/nfs/dbraw/zinc/38/44/59/432384459.db2.gz	CLVIYPXWDSPMSH-UHFFFAOYSA-N	-1	1	300.152	3.221	50	30		DGEAMM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1	ZINC000408516459	434585055	/nfs/dbraw/zinc/58/50/55/434585055.db2.gz	IJVJXHGKBZXQSO-ZDUSSCGKSA-N	-1	1	311.341	3.068	50	30		DGEAMM
O=C([O-])CCC(=NNc1ccccc1[N+](=O)[O-])c1cccs1	ZINC000254598300	658131274	/nfs/dbraw/zinc/13/12/74/658131274.db2.gz	TZHMCCRLYFCKON-UHFFFAOYSA-N	-1	1	319.342	3.337	50	30		DGEAMM
COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl	ZINC000006328267	181330606	/nfs/dbraw/zinc/33/06/06/181330606.db2.gz	DLPNEXMXGSKQAG-UHFFFAOYSA-N	-1	1	322.773	3.021	50	30		DGEAMM
CCOc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1OC	ZINC000014198549	181936452	/nfs/dbraw/zinc/93/64/52/181936452.db2.gz	SZCWVHBDQXAYTK-SXGWCWSVSA-N	-1	1	312.321	3.416	50	30		DGEAMM
O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccccc2)N1[O-]	ZINC000013139452	285024910	/nfs/dbraw/zinc/02/49/10/285024910.db2.gz	RQFGMMDOEYXKTC-INIZCTEOSA-N	-1	1	306.325	3.032	50	30		DGEAMM
Cc1cn2c(/C=C3/Oc4cc([O-])ccc4C3=O)c(C)nc2s1	ZINC000096930474	279001001	/nfs/dbraw/zinc/00/10/01/279001001.db2.gz	LIVFOYOQTDJEEM-MKMNVTDBSA-N	-1	1	312.350	3.334	50	30		DGEAMM
C=CCOc1ccc(-c2nonc2[N-]C(=O)c2ccco2)cc1	ZINC000012407986	431507166	/nfs/dbraw/zinc/50/71/66/431507166.db2.gz	OJSNHRTUXZINHK-UHFFFAOYSA-N	-1	1	311.297	3.147	50	30		DGEAMM
CC(=N[O-])c1ccc(OC(=O)c2ccc(Br)o2)cc1	ZINC000252597245	432384465	/nfs/dbraw/zinc/38/44/65/432384465.db2.gz	CQJJSKLTTYOKEI-UHFFFAOYSA-N	-1	1	324.130	3.460	50	30		DGEAMM
O=C([O-])c1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1	ZINC000000520328	431196994	/nfs/dbraw/zinc/19/69/94/431196994.db2.gz	IHTCRKMFCXCVRX-LICLKQGHSA-N	-1	1	324.365	3.188	50	30		DGEAMM
Cc1cn2c(/C=C3\Oc4cc([O-])ccc4C3=O)c(C)nc2s1	ZINC000012556554	431517132	/nfs/dbraw/zinc/51/71/32/431517132.db2.gz	LIVFOYOQTDJEEM-NSIKDUERSA-N	-1	1	312.350	3.334	50	30		DGEAMM
C=CCn1c(CC(=O)Nc2cccc(SC)c2)n[n-]c1=S	ZINC000004736546	519176636	/nfs/dbraw/zinc/17/66/36/519176636.db2.gz	MTKSJFMNYLGIGE-UHFFFAOYSA-N	-1	1	320.443	3.030	50	30		DGEAMM
Nc1ccccc1NC(=CC(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000033320533	527528297	/nfs/dbraw/zinc/52/82/97/527528297.db2.gz	GHOXWRJZAYMHEO-NTEUORMPSA-N	-1	1	316.744	3.186	50	30		DGEAMM
CCc1oc2ccccc2c1C=CC(=O)c1c([O-])cc(C)oc1=O	ZINC000101006960	619120816	/nfs/dbraw/zinc/12/08/16/619120816.db2.gz	RXCPUPOQBCOFQD-BLGFXRMMSA-N	-1	1	324.332	3.223	50	30		DGEAMM
C=CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCC	ZINC000004093719	181072378	/nfs/dbraw/zinc/07/23/78/181072378.db2.gz	WBMSVLFEKIRRLL-LCYFTJDESA-N	-1	1	321.423	3.139	50	30		DGEAMM
N#Cc1ccc(CN(C(=O)c2ccc([O-])cc2F)C2CC2)cc1	ZINC000182173414	228366958	/nfs/dbraw/zinc/36/69/58/228366958.db2.gz	PTWZWWGXZALNCI-UHFFFAOYSA-N	-1	1	310.328	3.208	50	30		DGEAMM
COc1cc(/C=N/[O-])ccc1COc1ccc(NC(C)=O)cc1	ZINC000000313003	431165890	/nfs/dbraw/zinc/16/58/90/431165890.db2.gz	MKJPMAZHYUQQEU-VCHYOVAHSA-N	-1	1	314.341	3.041	50	30		DGEAMM
C=CCN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=S	ZINC000001136830	431217093	/nfs/dbraw/zinc/21/70/93/431217093.db2.gz	DJXXNXVGVATZSQ-XFFZJAGNSA-N	-1	1	311.815	3.433	50	30		DGEAMM
O=C(CCc1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000012974011	431542120	/nfs/dbraw/zinc/54/21/20/431542120.db2.gz	VLJCTULTOWZGJZ-UHFFFAOYSA-N	-1	1	302.231	3.183	50	30		DGEAMM
C=CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl	ZINC000036638833	431840234	/nfs/dbraw/zinc/84/02/34/431840234.db2.gz	BLWFRFBZJNVEPP-UHFFFAOYSA-N	-1	1	300.594	3.111	50	30		DGEAMM
COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc([O-])cc1	ZINC000048532155	656363362	/nfs/dbraw/zinc/36/33/62/656363362.db2.gz	RPLSXUHFLZEMSS-TWGQIWQCSA-N	-1	1	314.337	3.314	50	30		DGEAMM