smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)o1	ZINC000001803623	361222309	/nfs/dbraw/zinc/22/23/09/361222309.db2.gz	JDZVWSRSJLGWJK-JGESFRBXSA-N	-1	0	297.357	2.262	50	10		CECARM
Cc1cccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000013343674	361426630	/nfs/dbraw/zinc/42/66/30/361426630.db2.gz	DENZGZYPQYLMFP-POHAHGRESA-N	-1	0	293.369	2.281	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000000966927	169683270	/nfs/dbraw/zinc/68/32/70/169683270.db2.gz	CEIMGRLZNNVXBO-DAXSKMNVSA-N	-1	0	285.371	2.034	50	10		CECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000019891099	170909897	/nfs/dbraw/zinc/90/98/97/170909897.db2.gz	OGGYHNILKPWNML-HWPCKVLBSA-N	-1	0	297.357	2.344	50	10		CECARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccccc3)c2n1	ZINC000334159084	344762088	/nfs/dbraw/zinc/76/20/88/344762088.db2.gz	NQJGYLSUBPQHAB-UHFFFAOYSA-N	-1	0	268.280	2.329	50	10		CECARM
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(F)cc1	ZINC000000443515	361174638	/nfs/dbraw/zinc/17/46/38/361174638.db2.gz	GJSRLJGGQRYSNH-RIYZIHGNSA-N	-1	0	299.305	2.414	50	10		CECARM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000015218934	361467476	/nfs/dbraw/zinc/46/74/76/361467476.db2.gz	DAIAJSOQDQWBAR-UKTHLTGXSA-N	-1	0	296.282	2.254	50	10		CECARM
O=C([O-])CCN1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000001297885	336185933	/nfs/dbraw/zinc/18/59/33/336185933.db2.gz	MGSYHFSSOOVWOY-CSKARUKUSA-N	-1	0	293.369	2.363	50	10		CECARM
COc1cccc(N=Nc2c(N)[n-]n3c2nc(C)cc3=O)c1	ZINC000334159064	344762113	/nfs/dbraw/zinc/76/21/13/344762113.db2.gz	WDETZVRRBPWVRT-UHFFFAOYSA-N	-1	0	298.306	2.337	50	10		CECARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000000966872	361195080	/nfs/dbraw/zinc/19/50/80/361195080.db2.gz	GVNQGVLYSOUCNH-CLFYSBASSA-N	-1	0	297.357	2.346	50	10		CECARM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004058450	361299115	/nfs/dbraw/zinc/29/91/15/361299115.db2.gz	MCLDLXLZBMYXOG-JTNHKYCSSA-N	-1	0	287.315	2.402	50	10		CECARM
CCOC(=O)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000012956165	361411644	/nfs/dbraw/zinc/41/16/44/361411644.db2.gz	LQFSYWYGZHWLIW-JTNHKYCSSA-N	-1	0	287.315	2.402	50	10		CECARM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000015973896	361482024	/nfs/dbraw/zinc/48/20/24/361482024.db2.gz	DCCXPTQVFZFDSG-PTNGSMBKSA-N	-1	0	294.310	2.157	50	10		CECARM
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(F)cc1	ZINC000000094602	304226349	/nfs/dbraw/zinc/22/63/49/304226349.db2.gz	TZQGLLKNSZDFAZ-UHFFFAOYSA-N	-1	0	275.235	2.482	50	10		CECARM
COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1[O-]	ZINC000034475824	292040958	/nfs/dbraw/zinc/04/09/58/292040958.db2.gz	GYYAQCMJASDSIH-UHFFFAOYSA-N	-1	0	253.235	2.302	50	10		CECARM
O=c1c(-c2ccc(O)c(O)c2)coc2cc([O-])cc(O)c12	ZINC000006092209	170174992	/nfs/dbraw/zinc/17/49/92/170174992.db2.gz	IOYHCQBYQJQBSK-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10	endogenous,in-man	CECARM
O=C([O-])CCN1C(=O)/C(=C\c2ccsc2)SC1=S	ZINC000007166458	170270111	/nfs/dbraw/zinc/27/01/11/170270111.db2.gz	OYJHUFNPBBSQTP-VMPITWQZSA-N	-1	0	299.398	2.424	50	10		CECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cccs1	ZINC000004859684	136394216	/nfs/dbraw/zinc/39/42/16/136394216.db2.gz	SBPOFWQMIIZCRF-XFXZXTDPSA-N	-1	0	298.323	2.415	50	10		CECARM
O=C([O-])C1=C2CCCCCN2c2ccccc2S1(=O)=O	ZINC000067172878	362903361	/nfs/dbraw/zinc/90/33/61/362903361.db2.gz	IJLFOGHCSABCGA-UHFFFAOYSA-N	-1	0	293.344	2.151	50	10		CECARM
CC(C)Cc1nc(=NCc2ccc(O)cc2O)s[n-]1	ZINC000408524576	375511731	/nfs/dbraw/zinc/51/17/31/375511731.db2.gz	VUMQJHHIQABSJO-UHFFFAOYSA-N	-1	0	279.365	2.182	50	10		CECARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1=O	ZINC000001225775	361199476	/nfs/dbraw/zinc/19/94/76/361199476.db2.gz	QNWNIEQHWWWPOA-XBXARRHUSA-N	-1	0	299.113	2.085	50	10		CECARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccco1	ZINC000003156106	361266005	/nfs/dbraw/zinc/26/60/05/361266005.db2.gz	ZXAUFGWONRMXLC-WQLSENKSSA-N	-1	0	288.690	2.394	50	10		CECARM
CN(C)c1ccc([C@@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)cc1	ZINC000004347827	361313760	/nfs/dbraw/zinc/31/37/60/361313760.db2.gz	KMUBBRNQZPZYJM-NWDGAFQWSA-N	-1	0	280.393	2.319	50	10		CECARM
Cc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000008409951	361343032	/nfs/dbraw/zinc/34/30/32/361343032.db2.gz	QQKLDEHQBYNOBZ-IGJMFERPSA-N	-1	0	274.276	2.442	50	10		CECARM
COc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000004831988	170025537	/nfs/dbraw/zinc/02/55/37/170025537.db2.gz	QOUWBJAVCOCLGR-UHFFFAOYSA-N	-1	0	287.271	2.351	50	10		CECARM
C/C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O	ZINC000008861700	170357929	/nfs/dbraw/zinc/35/79/29/170357929.db2.gz	DYWCWGFIJCYLCL-KRXBUXKQSA-N	-1	0	273.379	2.396	50	10		CECARM
COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000007275042	295031754	/nfs/dbraw/zinc/03/17/54/295031754.db2.gz	PVYYIZZOQDXNMG-RVBZMBCESA-N	-1	0	290.275	2.142	50	10		CECARM
COc1cc(C(C)=C2SC(=S)N=C2[O-])ccc1O	ZINC000001319345	333318699	/nfs/dbraw/zinc/31/86/99/333318699.db2.gz	GJNAWIXSTWSMGS-UXBLZVDNSA-N	-1	0	281.358	2.280	50	10		CECARM
Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000000212882	361146497	/nfs/dbraw/zinc/14/64/97/361146497.db2.gz	HMWHBHVEAXUNOI-UHFFFAOYSA-N	-1	0	289.316	2.332	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C/c2ccccc2F)SC1=S	ZINC000000967104	361195048	/nfs/dbraw/zinc/19/50/48/361195048.db2.gz	XBIRTKJQEPDMEI-UITAMQMPSA-N	-1	0	297.332	2.112	50	10		CECARM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1CN=O	ZINC000095471450	364390611	/nfs/dbraw/zinc/39/06/11/364390611.db2.gz	NLDBXTAJSYACGQ-POHAHGRESA-N	-1	0	265.700	2.234	50	10		CECARM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000115154324	394753083	/nfs/dbraw/zinc/75/30/83/394753083.db2.gz	MCLDLXLZBMYXOG-GYSYKLTISA-N	-1	0	287.315	2.402	50	10		CECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000004478795	286747001	/nfs/dbraw/zinc/74/70/01/286747001.db2.gz	OGGYHNILKPWNML-CYXIBPNKSA-N	-1	0	297.357	2.344	50	10		CECARM
COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000022204531	295031650	/nfs/dbraw/zinc/03/16/50/295031650.db2.gz	PVYYIZZOQDXNMG-ZDMBXUJBSA-N	-1	0	290.275	2.142	50	10		CECARM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1CN=O	ZINC000100149356	364540894	/nfs/dbraw/zinc/54/08/94/364540894.db2.gz	OXNOKBVBXJHKKB-UXBLZVDNSA-N	-1	0	296.124	2.034	50	10		CECARM
O=C([O-])c1ccc([N+](=O)[O-])c2c1NC[C@@H]1CC=C[C@@H]21	ZINC000003684686	304251037	/nfs/dbraw/zinc/25/10/37/304251037.db2.gz	GKTXCAVWZLTBSG-JGVFFNPUSA-N	-1	0	260.249	2.378	50	10		CECARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccco3)C2=O)cc1C	ZINC000002952308	230367593	/nfs/dbraw/zinc/36/75/93/230367593.db2.gz	ZIAKVJNCMCSJLI-NTEUORMPSA-N	-1	0	282.299	2.358	50	10		CECARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1	ZINC000000341556	361164049	/nfs/dbraw/zinc/16/40/49/361164049.db2.gz	ZSWFJWXHZHNSHE-KAMYIIQDSA-N	-1	0	292.294	2.353	50	10		CECARM
CCCCN(CCCS(=O)(=O)[O-])c1ccc(N)cc1	ZINC000004552220	361321136	/nfs/dbraw/zinc/32/11/36/361321136.db2.gz	KXSVXMICRNGRGJ-UHFFFAOYSA-N	-1	0	286.397	2.153	50	10		CECARM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000019093802	361519925	/nfs/dbraw/zinc/51/99/25/361519925.db2.gz	FQMGHDYQCQVRST-BREBYQMCSA-N	-1	0	274.276	2.442	50	10		CECARM
COc1cccc(N=Nc2c(=O)[n-]n3c2[nH]c(C)cc3=O)c1	ZINC000008671153	170344918	/nfs/dbraw/zinc/34/49/18/170344918.db2.gz	ZZCNPODJTKJXFC-WUKNDPDISA-N	-1	0	299.290	2.048	50	10		CECARM
CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000002850123	289790175	/nfs/dbraw/zinc/79/01/75/289790175.db2.gz	IAJZJHABLIYZOZ-TWGQIWQCSA-N	-1	0	279.342	2.216	50	10		CECARM
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000002573270	278250757	/nfs/dbraw/zinc/25/07/57/278250757.db2.gz	MAHHEUJIITYGOD-WDMOLILDSA-N	-1	0	257.289	2.428	50	10		CECARM
Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000007277557	301013012	/nfs/dbraw/zinc/01/30/12/301013012.db2.gz	KXGBLGQACSLGDU-RVBZMBCESA-N	-1	0	274.276	2.442	50	10		CECARM
O=C([O-])CCN1C(=O)/C(=C/c2ccsc2)SC1=S	ZINC000096663448	185108991	/nfs/dbraw/zinc/10/89/91/185108991.db2.gz	OYJHUFNPBBSQTP-YVMONPNESA-N	-1	0	299.398	2.424	50	10		CECARM
Cc1oc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O	ZINC000000065262	394447925	/nfs/dbraw/zinc/44/79/25/394447925.db2.gz	DGUNRTJCCAANGI-UHFFFAOYSA-N	-1	0	256.213	2.062	50	10		CECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000005178547	298215587	/nfs/dbraw/zinc/21/55/87/298215587.db2.gz	GFGSSPUNEUQZRU-RYGSOJJJSA-N	-1	0	293.369	2.361	50	10		CECARM
CN1C(=O)/C(=C\c2ccccc2C(=O)[O-])SC1=S	ZINC000016905128	361498599	/nfs/dbraw/zinc/49/85/99/361498599.db2.gz	BZSHHUMPYCOMJL-RMKNXTFCSA-N	-1	0	279.342	2.216	50	10		CECARM
O=c1cc([O-])n(-c2ccccc2)n1-c1ccccc1	ZINC000100028517	364538719	/nfs/dbraw/zinc/53/87/19/364538719.db2.gz	XDPKQGKEOCYMQC-UHFFFAOYSA-N	-1	0	252.273	2.372	50	10		CECARM
O=C([O-])[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004409894	304155095	/nfs/dbraw/zinc/15/50/95/304155095.db2.gz	FVGRNYLHBYNHAI-HOTUBEGUSA-N	-1	0	260.249	2.133	50	10		CECARM
Cc1[n-][nH]c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000252622976	371459352	/nfs/dbraw/zinc/45/93/52/371459352.db2.gz	OGYFPVGLDLNTJC-LBPRGKRZSA-N	-1	0	268.280	2.035	50	10		CECARM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000013548766	326840588	/nfs/dbraw/zinc/84/05/88/326840588.db2.gz	YSXOSCYMSSJZRP-UXBLZVDNSA-N	-1	0	293.369	2.281	50	10		CECARM
O=S(=O)([O-])c1ccc(/N=N/N2CCCCC2)cc1	ZINC000001829260	361223778	/nfs/dbraw/zinc/22/37/78/361223778.db2.gz	XXYIZCMPOQLWME-OUKQBFOZSA-N	-1	0	269.326	2.418	50	10		CECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000005178570	298215817	/nfs/dbraw/zinc/21/58/17/298215817.db2.gz	OPCTXYOBPGILAL-URNIURQGSA-N	-1	0	299.398	2.422	50	10		CECARM
Cc1c2c(ccc1[N+](=O)[O-])[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000226977040	301013260	/nfs/dbraw/zinc/01/32/60/301013260.db2.gz	KXGBLGQACSLGDU-KKFJDGPESA-N	-1	0	274.276	2.442	50	10		CECARM
O=c1[n-]n(-c2ccccc2)c(O)c1Sc1ccccc1	ZINC000215401948	344533820	/nfs/dbraw/zinc/53/38/20/344533820.db2.gz	NTXLFRUCLZVSLT-CYBMUJFWSA-N	-1	0	284.340	2.225	50	10		CECARM
C=C1Nc2ccccc2S([O-])=C1C(=O)OCC	ZINC000001402887	361203973	/nfs/dbraw/zinc/20/39/73/361203973.db2.gz	LICNNHIUDKUNBE-KRWDZBQOSA-N	-1	0	251.307	2.014	50	10		CECARM
O=S(=O)([N-]c1cccc(F)c1)c1cccc2nonc21	ZINC000017023137	361502369	/nfs/dbraw/zinc/50/23/69/361502369.db2.gz	JFGJEJNHMSCIIB-UHFFFAOYSA-N	-1	0	293.279	2.163	50	10		CECARM
CCOC(=O)c1c[nH]nc1NN=C1C=CC([O-])=CC1=O	ZINC000004817980	170022688	/nfs/dbraw/zinc/02/26/88/170022688.db2.gz	MMDBVRGMYWKPBF-JQIJEIRASA-N	-1	0	276.252	2.413	50	10		CECARM
Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)s1	ZINC000000503448	230366373	/nfs/dbraw/zinc/36/63/73/230366373.db2.gz	IZXZYAVXAUDDJV-YFHOEESVSA-N	-1	0	292.360	2.317	50	10		CECARM
Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000022204636	361587592	/nfs/dbraw/zinc/58/75/92/361587592.db2.gz	QQKLDEHQBYNOBZ-KKFJDGPESA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000252460477	371440019	/nfs/dbraw/zinc/44/00/19/371440019.db2.gz	FSOGLFMMOPZSSF-LLVKDONJSA-N	-1	0	289.364	2.217	50	10	aggregator	CECARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1	ZINC000000368308	394448957	/nfs/dbraw/zinc/44/89/57/394448957.db2.gz	RQXYHQUNKBQPKO-GXDHUFHOSA-N	-1	0	282.274	2.287	50	10		CECARM
O=c1[n-]n(-c2ccccc2)c(O)c1Sc1ccccc1	ZINC000006667306	343357113	/nfs/dbraw/zinc/35/71/13/343357113.db2.gz	NTXLFRUCLZVSLT-ZDUSSCGKSA-N	-1	0	284.340	2.225	50	10		CECARM
CN(C)C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000002760092	540400430	/nfs/dbraw/zinc/40/04/30/540400430.db2.gz	YKYROQILGNQURY-JXMROGBWSA-N	-1	0	293.710	2.209	50	10		CECARM
COC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000000559576	291171469	/nfs/dbraw/zinc/17/14/69/291171469.db2.gz	CGDVVNIFILFBTI-UHFFFAOYSA-N	-1	0	287.315	2.345	50	10		CECARM
CCOC(=O)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000004140576	361302929	/nfs/dbraw/zinc/30/29/29/361302929.db2.gz	LQFSYWYGZHWLIW-COPLHBTASA-N	-1	0	287.315	2.402	50	10		CECARM
Cn1[n-]c(C(F)(F)F)c(C=Nc2ccccc2O)c1=O	ZINC000100271368	364543724	/nfs/dbraw/zinc/54/37/24/364543724.db2.gz	JRWFGCLIJQZGRV-SREVYHEPSA-N	-1	0	285.225	2.078	50	10		CECARM
O=C([O-])CCN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000001793558	169757518	/nfs/dbraw/zinc/75/75/18/169757518.db2.gz	CUASGFQGSJQCIZ-VURMDHGXSA-N	-1	0	299.398	2.424	50	10		CECARM
Cc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)s1	ZINC000002992910	169847540	/nfs/dbraw/zinc/84/75/40/169847540.db2.gz	BTDIVABZBLATTH-XBXARRHUSA-N	-1	0	299.398	2.342	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\[C@H]2CC=CCC2)SC1=S	ZINC000005376784	170091079	/nfs/dbraw/zinc/09/10/79/170091079.db2.gz	NAEDSAXIBWILRE-CYXIBPNKSA-N	-1	0	283.374	2.172	50	10		CECARM
CCc1cccc2c(C=C3C(=O)[N-]C(=O)NC3=O)c[nH]c21	ZINC000008766459	170354678	/nfs/dbraw/zinc/35/46/78/170354678.db2.gz	XIKZCJFTSPVFCA-UHFFFAOYSA-N	-1	0	283.287	2.320	50	10		CECARM
CC1(C)Cc2nc3sc(C(=O)[O-])c(N)c3cc2CO1	ZINC000019798746	281376841	/nfs/dbraw/zinc/37/68/41/281376841.db2.gz	DNGPWAMYDLWYIC-UHFFFAOYSA-N	-1	0	278.333	2.428	50	10		CECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1	ZINC000000063167	301623855	/nfs/dbraw/zinc/62/38/55/301623855.db2.gz	PLGYEYUIBSSBMR-UKTHLTGXSA-N	-1	0	296.282	2.254	50	10		CECARM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc(C)s2)C1=O	ZINC000004865549	628723342	/nfs/dbraw/zinc/72/33/42/628723342.db2.gz	WVWXZUBFMBZZTC-FLIBITNWSA-N	-1	0	292.360	2.318	50	10		CECARM
O=C([O-])CC1(c2ccccc2)C(=O)c2ccccc2C1=O	ZINC000000225814	361149526	/nfs/dbraw/zinc/14/95/26/361149526.db2.gz	LUSCNFVZKACQIA-UHFFFAOYSA-N	-1	0	280.279	2.478	50	10		CECARM
Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000022204632	361587835	/nfs/dbraw/zinc/58/78/35/361587835.db2.gz	QQKLDEHQBYNOBZ-ZDMBXUJBSA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)o1	ZINC000001208783	169691952	/nfs/dbraw/zinc/69/19/52/169691952.db2.gz	OMERKMAXFIVYNH-RMKNXTFCSA-N	-1	0	297.357	2.264	50	10		CECARM
CCN1C(=O)C(=C([O-])c2ccccc2)SC1=S	ZINC000004714225	170004130	/nfs/dbraw/zinc/00/41/30/170004130.db2.gz	JLLAFMARDKIODB-SNVBAGLBSA-N	-1	0	265.359	2.118	50	10		CECARM
Cc1ccsc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000012576017	170498308	/nfs/dbraw/zinc/49/83/08/170498308.db2.gz	FQJIAHKVXNKTCV-YWEYNIOJSA-N	-1	0	299.398	2.342	50	10		CECARM
Cn1c2ccccc2c(-c2cccnc2)c([O-])c1=O	ZINC000526052418	261082930	/nfs/dbraw/zinc/08/29/30/261082930.db2.gz	DUVBDHNUVOOIBV-UHFFFAOYSA-N	-1	0	252.273	2.306	50	10		CECARM
Cc1cc(O)ccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O	ZINC000039768357	301371343	/nfs/dbraw/zinc/37/13/43/301371343.db2.gz	UUBCHMFBEIFFRA-UHFFFAOYSA-N	-1	0	297.266	2.199	50	10		CECARM
COc1ccccc1C(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000003905366	361293490	/nfs/dbraw/zinc/29/34/90/361293490.db2.gz	XJHSIAAMBIYZFV-UHFFFAOYSA-N	-1	0	287.271	2.351	50	10		CECARM
Cc1cc(C(=O)C(=O)[O-])c(C)n1-c1ccc2c[nH]nc2c1	ZINC000004025517	361297247	/nfs/dbraw/zinc/29/72/47/361297247.db2.gz	QBQBLXIEUWDNFI-UHFFFAOYSA-N	-1	0	283.287	2.238	50	10		CECARM
CC(C)=C1C(=O)[N-]N(c2ccc(F)c(Cl)c2)C1=O	ZINC000000087885	394448198	/nfs/dbraw/zinc/44/81/98/394448198.db2.gz	DYBJLCHNPQULLJ-UHFFFAOYSA-N	-1	0	268.675	2.193	50	10		CECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)c1	ZINC000000227217	136396578	/nfs/dbraw/zinc/39/65/78/136396578.db2.gz	ASCRBSLPCXJPOT-UKTHLTGXSA-N	-1	0	296.282	2.254	50	10		CECARM
[O-]c1c(Cl)cc(Cl)cc1CNn1cnnc1	ZINC000000553255	361186935	/nfs/dbraw/zinc/18/69/35/361186935.db2.gz	BRTUSYUVUGWYTG-UHFFFAOYSA-N	-1	0	259.096	2.034	50	10		CECARM
Nc1c([S-])ccc2c1C(=O)c1ccccc1C2=O	ZINC000003845276	361292169	/nfs/dbraw/zinc/29/21/69/361292169.db2.gz	INMWCLDUDNFUNQ-UHFFFAOYSA-N	-1	0	255.298	2.333	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000252460478	371440261	/nfs/dbraw/zinc/44/02/61/371440261.db2.gz	FSOGLFMMOPZSSF-NSHDSACASA-N	-1	0	289.364	2.217	50	10	aggregator	CECARM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000001461840	278250771	/nfs/dbraw/zinc/25/07/71/278250771.db2.gz	MAHHEUJIITYGOD-GYSYKLTISA-N	-1	0	257.289	2.428	50	10		CECARM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000022204640	301862114	/nfs/dbraw/zinc/86/21/14/301862114.db2.gz	MDIZWWWSVVGOAJ-ZDMBXUJBSA-N	-1	0	274.276	2.442	50	10		CECARM
O=C([O-])c1cc(NCc2cc(O)ccc2O)ccc1O	ZINC000000388549	361169332	/nfs/dbraw/zinc/16/93/32/361169332.db2.gz	LULATDWLDJOKCX-UHFFFAOYSA-N	-1	0	275.260	2.114	50	10	in-vitro	CECARM
O=C([O-])[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000004409896	304155234	/nfs/dbraw/zinc/15/52/34/304155234.db2.gz	FVGRNYLHBYNHAI-KBVBSXBZSA-N	-1	0	260.249	2.133	50	10		CECARM
CC(C)=C1C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000000439115	394450180	/nfs/dbraw/zinc/45/01/80/394450180.db2.gz	IGYOBUIRJASMJO-UHFFFAOYSA-N	-1	0	250.685	2.054	50	10		CECARM
Nc1ccc(OCc2nc3ccccc3n2CC(=O)[O-])cc1	ZINC000006705404	170230460	/nfs/dbraw/zinc/23/04/60/170230460.db2.gz	GEDABFROMJJUOC-UHFFFAOYSA-N	-1	0	297.314	2.282	50	10		CECARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccco1	ZINC000008767752	170354926	/nfs/dbraw/zinc/35/49/26/170354926.db2.gz	FNDMBWGHASKADA-XFFZJAGNSA-N	-1	0	286.243	2.375	50	10		CECARM
Cc1nc(Cc2ccccc2)nc2sc(C(N)=O)c([O-])c21	ZINC000012409969	361384468	/nfs/dbraw/zinc/38/44/68/361384468.db2.gz	RHKFIQYYXIYBFL-UHFFFAOYSA-N	-1	0	299.355	2.395	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000016925812	361499359	/nfs/dbraw/zinc/49/93/59/361499359.db2.gz	HRWZBMNGPMIXNH-SOLLPLKKSA-N	-1	0	295.755	2.254	50	10		CECARM
O=C([O-])[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004409897	304155148	/nfs/dbraw/zinc/15/51/48/304155148.db2.gz	FVGRNYLHBYNHAI-YGOYTEALSA-N	-1	0	260.249	2.133	50	10		CECARM
CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000016188905	361484485	/nfs/dbraw/zinc/48/44/85/361484485.db2.gz	OOAYFYAZGPCSAK-UITAMQMPSA-N	-1	0	296.329	2.131	50	10		CECARM
CCCCN1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O	ZINC000017056252	361504338	/nfs/dbraw/zinc/50/43/38/361504338.db2.gz	SETMMDLKNXBECG-HOGPSILUSA-N	-1	0	288.303	2.302	50	10		CECARM
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004245133	278250565	/nfs/dbraw/zinc/25/05/65/278250565.db2.gz	MAHHEUJIITYGOD-MISXGVKJSA-N	-1	0	257.289	2.428	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S	ZINC000001086353	361198896	/nfs/dbraw/zinc/19/88/96/361198896.db2.gz	SUCVQHNJHLDKDZ-UITAMQMPSA-N	-1	0	297.332	2.112	50	10		CECARM
O=S(=O)([O-])c1ccc(/N=N/N2CCCC2)cc1	ZINC000001805513	361221727	/nfs/dbraw/zinc/22/17/27/361221727.db2.gz	GDHZCSHUUCYNHZ-VAWYXSNFSA-N	-1	0	255.299	2.028	50	10		CECARM
Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000003156110	394454305	/nfs/dbraw/zinc/45/43/05/394454305.db2.gz	OJVKOSRLQLPJMF-UHFFFAOYSA-N	-1	0	269.260	2.066	50	10		CECARM
CCOC(=O)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000004003809	285889911	/nfs/dbraw/zinc/88/99/11/285889911.db2.gz	LQFSYWYGZHWLIW-UHIISALHSA-N	-1	0	287.315	2.402	50	10		CECARM
Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000007277561	301013166	/nfs/dbraw/zinc/01/31/66/301013166.db2.gz	KXGBLGQACSLGDU-MWODSPESSA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004237775	301437103	/nfs/dbraw/zinc/43/71/03/301437103.db2.gz	QQKLDEHQBYNOBZ-RWEMILLDSA-N	-1	0	274.276	2.442	50	10		CECARM
CCCSCC(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000048368784	362260494	/nfs/dbraw/zinc/26/04/94/362260494.db2.gz	XJARMGNUZONYHC-UHFFFAOYSA-N	-1	0	284.337	2.060	50	10		CECARM
Cc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000001197869	361199959	/nfs/dbraw/zinc/19/99/59/361199959.db2.gz	YSXOSCYMSSJZRP-POHAHGRESA-N	-1	0	293.369	2.281	50	10		CECARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1cccs1	ZINC000000368296	361166107	/nfs/dbraw/zinc/16/61/07/361166107.db2.gz	JEITXJUBDOIWJN-WQLSENKSSA-N	-1	0	288.303	2.349	50	10		CECARM
Cc1c2cc(O)c([O-])cc2oc2cc(=O)c(O)cc1-2	ZINC000004015433	361297307	/nfs/dbraw/zinc/29/73/07/361297307.db2.gz	TZVNNUHRZXQCHM-UHFFFAOYSA-N	-1	0	258.229	2.323	50	10	aggregator,in-vivo	CECARM
O=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12	ZINC000018185774	361516335	/nfs/dbraw/zinc/51/63/35/361516335.db2.gz	IQPNAANSBPBGFQ-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10	aggregator,endogenous,world	CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccccc1Cl	ZINC000100517505	364547716	/nfs/dbraw/zinc/54/77/16/364547716.db2.gz	GKOXPOJLFCAQSH-SOLLPLKKSA-N	-1	0	295.755	2.254	50	10		CECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000005178546	361331778	/nfs/dbraw/zinc/33/17/78/361331778.db2.gz	GFGSSPUNEUQZRU-VKHJRQFRSA-N	-1	0	293.369	2.361	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1	ZINC000000053750	394447846	/nfs/dbraw/zinc/44/78/46/394447846.db2.gz	OANYBHUUBYIOSA-GXDHUFHOSA-N	-1	0	282.274	2.287	50	10		CECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000001800323	361222605	/nfs/dbraw/zinc/22/26/05/361222605.db2.gz	OPCTXYOBPGILAL-HOYUYTIUSA-N	-1	0	299.398	2.422	50	10		CECARM
CCc1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000002857452	361255702	/nfs/dbraw/zinc/25/57/02/361255702.db2.gz	MUNDAJQJNPDHTH-LBPRGKRZSA-N	-1	0	281.377	2.185	50	10		CECARM
Cc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008409946	361342971	/nfs/dbraw/zinc/34/29/71/361342971.db2.gz	QQKLDEHQBYNOBZ-RVBZMBCESA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(S(C)(=O)=O)cc1	ZINC000013125381	361419959	/nfs/dbraw/zinc/41/99/59/361419959.db2.gz	MRDJXKYPRTWTFN-BUHFOSPRSA-N	-1	0	294.336	2.253	50	10		CECARM
CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000015011511	361464844	/nfs/dbraw/zinc/46/48/44/361464844.db2.gz	OOAYFYAZGPCSAK-WEVVVXLNSA-N	-1	0	296.329	2.131	50	10		CECARM
Cc1[n-][nH]c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000103609029	364665056	/nfs/dbraw/zinc/66/50/56/364665056.db2.gz	OGYFPVGLDLNTJC-HNAMICAMSA-N	-1	0	268.280	2.035	50	10		CECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S	ZINC000005374590	170090574	/nfs/dbraw/zinc/09/05/74/170090574.db2.gz	PGJVLHLSUAIKLM-WSQKDGNHSA-N	-1	0	296.373	2.079	50	10		CECARM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004245132	278250596	/nfs/dbraw/zinc/25/05/96/278250596.db2.gz	MAHHEUJIITYGOD-JTNHKYCSSA-N	-1	0	257.289	2.428	50	10		CECARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccco3)C2=O)cc1	ZINC000004471494	361317541	/nfs/dbraw/zinc/31/75/41/361317541.db2.gz	NFLVKABPPHCIKP-LCYFTJDESA-N	-1	0	268.272	2.049	50	10		CECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000004478796	361318096	/nfs/dbraw/zinc/31/80/96/361318096.db2.gz	OGGYHNILKPWNML-GTUWVTDSSA-N	-1	0	297.357	2.344	50	10		CECARM
CN(C)c1ccc([C@H]2N[C@H](C(=O)[O-])C(C)(C)S2)cc1	ZINC000004640736	361324371	/nfs/dbraw/zinc/32/43/71/361324371.db2.gz	KMUBBRNQZPZYJM-NEPJUHHUSA-N	-1	0	280.393	2.319	50	10		CECARM
O=C([O-])c1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])ccc1C2=O	ZINC000004800661	304252259	/nfs/dbraw/zinc/25/22/59/304252259.db2.gz	KMEWKTNBPDGJFY-UHFFFAOYSA-N	-1	0	297.222	2.068	50	10		CECARM
O=C1NN=CC1=CNc1cc(Cl)cc(Cl)c1	ZINC000003210282	361267881	/nfs/dbraw/zinc/26/78/81/361267881.db2.gz	MYKQJXMXBZQSQX-XQRVVYSFSA-N	-1	0	256.092	2.405	50	10		CECARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000019891101	361564722	/nfs/dbraw/zinc/56/47/22/361564722.db2.gz	OGGYHNILKPWNML-WSQKDGNHSA-N	-1	0	297.357	2.344	50	10		CECARM
O=C([O-])[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21	ZINC000103114935	304154718	/nfs/dbraw/zinc/15/47/18/304154718.db2.gz	MUJMYRTUDRUYBU-QOSJWCAFSA-N	-1	0	260.249	2.133	50	10		CECARM
O=C([O-])c1ccc([N+](=O)[O-])c2c1NC[C@@H]1CC=C[C@H]21	ZINC000000229454	304251161	/nfs/dbraw/zinc/25/11/61/304251161.db2.gz	GKTXCAVWZLTBSG-YUMQZZPRSA-N	-1	0	260.249	2.378	50	10		CECARM
O=C([O-])c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC000003884568	304253841	/nfs/dbraw/zinc/25/38/41/304253841.db2.gz	PMOCDYOEOUEPAN-UHFFFAOYSA-N	-1	0	297.222	2.068	50	10		CECARM
C[C@H](C(=O)[O-])n1cc(-c2ccnc3c2ccn3C)cn1	ZINC000072138792	176322625	/nfs/dbraw/zinc/32/26/25/176322625.db2.gz	ORYXAVPUIUIXPA-SECBINFHSA-N	-1	0	270.292	2.082	50	10		CECARM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000000293662	278250673	/nfs/dbraw/zinc/25/06/73/278250673.db2.gz	MAHHEUJIITYGOD-UHIISALHSA-N	-1	0	257.289	2.428	50	10		CECARM
O=C1[N-]C(=O)C(=Cc2cccc3ccccc23)C(=O)N1	ZINC000003157610	280277269	/nfs/dbraw/zinc/27/72/69/280277269.db2.gz	IRRHWYDVBCZPOS-UHFFFAOYSA-N	-1	0	266.256	2.430	50	10		CECARM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000022204644	301862202	/nfs/dbraw/zinc/86/22/02/301862202.db2.gz	MDIZWWWSVVGOAJ-KKFJDGPESA-N	-1	0	274.276	2.442	50	10		CECARM
O=c1[nH][n-]c2c1C(=Nc1ccc(Cl)cc1Cl)OC2	ZINC000019799218	343374726	/nfs/dbraw/zinc/37/47/26/343374726.db2.gz	ADYHQCHCHBTGGS-UHFFFAOYSA-N	-1	0	284.102	2.133	50	10		CECARM
O=C([O-])Cc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000003884115	304089578	/nfs/dbraw/zinc/08/95/78/304089578.db2.gz	NRIDTWIMIZBRGT-UHFFFAOYSA-N	-1	0	266.252	2.089	50	10		CECARM
COc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000408004	361171803	/nfs/dbraw/zinc/17/18/03/361171803.db2.gz	DGAUCIDGZUNHMO-UHFFFAOYSA-N	-1	0	279.317	2.202	50	10		CECARM
CC(=C1SC(=S)N=C1[O-])c1cccc([N+](=O)[O-])c1	ZINC000001033048	394450200	/nfs/dbraw/zinc/45/02/00/394450200.db2.gz	FUSPSAGNTDCZEB-RMKNXTFCSA-N	-1	0	280.330	2.474	50	10		CECARM
COc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000007275049	295031466	/nfs/dbraw/zinc/03/14/66/295031466.db2.gz	PVYYIZZOQDXNMG-IGJMFERPSA-N	-1	0	290.275	2.142	50	10		CECARM
CNc1c(C(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O	ZINC000003898664	290836665	/nfs/dbraw/zinc/83/66/65/290836665.db2.gz	FNTSHBHJZQRXCT-UHFFFAOYSA-N	-1	0	281.267	2.202	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\c2ccsc2)SC1=S	ZINC000001059558	361197201	/nfs/dbraw/zinc/19/72/01/361197201.db2.gz	NHEGFDYEVYVPKD-XVNBXDOJSA-N	-1	0	285.371	2.034	50	10		CECARM
CCc1ccc(C(=O)N[C@H](CCSC)C(=O)[O-])cc1	ZINC000002857453	361255246	/nfs/dbraw/zinc/25/52/46/361255246.db2.gz	MUNDAJQJNPDHTH-GFCCVEGCSA-N	-1	0	281.377	2.185	50	10		CECARM
COc1cccc(N=Nc2c(N)[n-]n3c2nc(C)cc3=O)c1	ZINC000004649652	361324428	/nfs/dbraw/zinc/32/44/28/361324428.db2.gz	WDETZVRRBPWVRT-ISLYRVAYSA-N	-1	0	298.306	2.337	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C/C=C/c2ccco2)SC1=S	ZINC000013787747	361441805	/nfs/dbraw/zinc/44/18/05/361441805.db2.gz	DHRVUIHJMVTCDI-SJAMCSFMSA-N	-1	0	295.341	2.122	50	10		CECARM
O=C([O-])[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000004409893	304155064	/nfs/dbraw/zinc/15/50/64/304155064.db2.gz	FVGRNYLHBYNHAI-VDDIYKPWSA-N	-1	0	260.249	2.133	50	10		CECARM
Cc1cc(CC2=NC(=S)[N-]C2=O)c(C)n1-c1ccccc1	ZINC000252550349	371455176	/nfs/dbraw/zinc/45/51/76/371455176.db2.gz	SKTAENDARKZJRW-UHFFFAOYSA-N	-1	0	297.383	2.492	50	10		CECARM
Cc1[nH]nc2nc(-c3ccc(O)c(O)c3)cc(C(=O)[O-])c12	ZINC000049543272	175486883	/nfs/dbraw/zinc/48/68/83/175486883.db2.gz	ZSNXLATWYCISQA-UHFFFAOYSA-N	-1	0	285.259	2.043	50	10		CECARM
O=C(c1cc(O)c([O-])c([N+](=O)[O-])c1)c1ccccc1F	ZINC000036384898	361843053	/nfs/dbraw/zinc/84/30/53/361843053.db2.gz	RQPAUNZYTYHKHA-UHFFFAOYSA-N	-1	0	277.207	2.376	50	10	in-vitro	CECARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	ZINC000001234725	361199724	/nfs/dbraw/zinc/19/97/24/361199724.db2.gz	HNNIYYQDBWHDCQ-UITAMQMPSA-N	-1	0	297.332	2.112	50	10		CECARM
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c([O-])ccc12	ZINC000012359395	361379246	/nfs/dbraw/zinc/37/92/46/361379246.db2.gz	YXNPLJZTPMOXKR-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10		CECARM
O=C([O-])c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000003884565	304265568	/nfs/dbraw/zinc/26/55/68/304265568.db2.gz	POPBYCBXVLHSKO-UHFFFAOYSA-N	-1	0	252.225	2.160	50	10		CECARM
CC(C)=C1C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O	ZINC000000088348	394448113	/nfs/dbraw/zinc/44/81/13/394448113.db2.gz	YIROPWFEEYIJHT-UHFFFAOYSA-N	-1	0	264.712	2.363	50	10		CECARM
Cc1cc(C([O-])=CS(C)(=O)=O)c(C)n1-c1ccccc1	ZINC000046138572	400164818	/nfs/dbraw/zinc/16/48/18/400164818.db2.gz	GBCNCLNNHHWIPP-UHFFFAOYSA-N	-1	0	291.372	2.321	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\C=C\c1ccco1	ZINC000005123962	170068530	/nfs/dbraw/zinc/06/85/30/170068530.db2.gz	PTDRFTNUSKZRCZ-NDUUIVGLSA-N	-1	0	280.283	2.297	50	10		CECARM
O=S(=O)([N-]c1ccccc1)c1cccc2nonc21	ZINC000006706476	170231277	/nfs/dbraw/zinc/23/12/77/170231277.db2.gz	JSKQJULRQVVHSS-UHFFFAOYSA-N	-1	0	275.289	2.024	50	10		CECARM
O=C([O-])[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1	ZINC000020357906	171157262	/nfs/dbraw/zinc/15/72/62/171157262.db2.gz	KDSVTGJJKBHYGR-QMMMGPOBSA-N	-1	0	275.226	2.496	50	10		CECARM
O=C([O-])c1ccccc1C=C1SC(=S)NC1=O	ZINC000002536915	361239123	/nfs/dbraw/zinc/23/91/23/361239123.db2.gz	SGVBAFTXLZKMIP-VMPITWQZSA-N	-1	0	265.315	2.285	50	10		CECARM
C/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O	ZINC000013115396	170532488	/nfs/dbraw/zinc/53/24/88/170532488.db2.gz	DYWCWGFIJCYLCL-WAPJZHGLSA-N	-1	0	273.379	2.396	50	10		CECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000001800325	298215903	/nfs/dbraw/zinc/21/59/03/298215903.db2.gz	OPCTXYOBPGILAL-ZQOTZMJXSA-N	-1	0	299.398	2.422	50	10		CECARM
Cc1c2c(ccc1[N+](=O)[O-])[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000105833752	301015469	/nfs/dbraw/zinc/01/54/69/301015469.db2.gz	KXGBLGQACSLGDU-ZDMBXUJBSA-N	-1	0	274.276	2.442	50	10		CECARM
O=S(=O)([N-]c1ccc(O)cc1)c1cccs1	ZINC000000170565	361139631	/nfs/dbraw/zinc/13/96/31/361139631.db2.gz	BBDVEIUPYUUGPG-UHFFFAOYSA-N	-1	0	255.320	2.255	50	10		CECARM
O=C1[N-]C(=O)C(=NNc2ccc(F)cc2F)C(=O)N1	ZINC000005344229	361331765	/nfs/dbraw/zinc/33/17/65/361331765.db2.gz	QUMIURNALXDRRX-FOCLMDBBSA-N	-1	0	268.179	2.287	50	10		CECARM
O=C([O-])[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1	ZINC000020357904	171157757	/nfs/dbraw/zinc/15/77/57/171157757.db2.gz	KDSVTGJJKBHYGR-MRVPVSSYSA-N	-1	0	275.226	2.496	50	10		CECARM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000019093800	301430095	/nfs/dbraw/zinc/43/00/95/301430095.db2.gz	FQMGHDYQCQVRST-NRUUGDAUSA-N	-1	0	274.276	2.442	50	10		CECARM
O=C1[N-]NC(c2ccccc2)=N/C1=C\c1ccccc1	ZINC000033384362	361777409	/nfs/dbraw/zinc/77/74/09/361777409.db2.gz	CIBSDTJVSDOTJL-KAMYIIQDSA-N	-1	0	263.300	2.109	50	10		CECARM
O=S(=O)([N-]c1ccc(F)cc1)c1cccc2nonc21	ZINC000017023134	361502348	/nfs/dbraw/zinc/50/23/48/361502348.db2.gz	RUFYGMUSMQAAGF-UHFFFAOYSA-N	-1	0	293.279	2.163	50	10		CECARM
COC(=O)c1cccc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000005611467	292022715	/nfs/dbraw/zinc/02/27/15/292022715.db2.gz	MVRAHNKBSITDJL-JQEORGNBSA-N	-1	0	273.288	2.012	50	10		CECARM
O=C1[N-]N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1	ZINC000000386325	394448943	/nfs/dbraw/zinc/44/89/43/394448943.db2.gz	PGXJUFAHNHTALJ-NTEUORMPSA-N	-1	0	282.274	2.287	50	10		CECARM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004058448	285965044	/nfs/dbraw/zinc/96/50/44/285965044.db2.gz	MCLDLXLZBMYXOG-UHIISALHSA-N	-1	0	287.315	2.402	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000008397832	170334870	/nfs/dbraw/zinc/33/48/70/170334870.db2.gz	FSOGLFMMOPZSSF-GTVMRRANSA-N	-1	0	289.364	2.217	50	10		CECARM
COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004237742	295031687	/nfs/dbraw/zinc/03/16/87/295031687.db2.gz	PVYYIZZOQDXNMG-RWEMILLDSA-N	-1	0	290.275	2.142	50	10		CECARM
Cc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008409948	301437091	/nfs/dbraw/zinc/43/70/91/301437091.db2.gz	QQKLDEHQBYNOBZ-MWODSPESSA-N	-1	0	274.276	2.442	50	10		CECARM
COC(=O)c1cc([O-])c(C(=O)Nc2ccccc2)s1	ZINC000075252364	343843937	/nfs/dbraw/zinc/84/39/37/343843937.db2.gz	GWKLIDXSVOZHSM-UHFFFAOYSA-N	-1	0	277.301	2.493	50	10		CECARM
COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000022204535	295031756	/nfs/dbraw/zinc/03/17/56/295031756.db2.gz	PVYYIZZOQDXNMG-KKFJDGPESA-N	-1	0	290.275	2.142	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(F)c1	ZINC000000076050	361125448	/nfs/dbraw/zinc/12/54/48/361125448.db2.gz	UXEHGODNSYFXAI-GXDHUFHOSA-N	-1	0	282.274	2.287	50	10		CECARM
O=C([O-])/C=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000004272120	361307063	/nfs/dbraw/zinc/30/70/63/361307063.db2.gz	UDLTYRICBOUKIU-GQCTYLIASA-N	-1	0	262.265	2.293	50	10		CECARM
CCOC(=O)CSC(=S)[N-]Cc1ccc(F)cc1	ZINC000004371707	361315201	/nfs/dbraw/zinc/31/52/01/361315201.db2.gz	FXAVQQKERHOYIM-UHFFFAOYSA-N	-1	0	287.381	2.497	50	10		CECARM
Cc1ccsc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000001187911	361199473	/nfs/dbraw/zinc/19/94/73/361199473.db2.gz	FQJIAHKVXNKTCV-XBXARRHUSA-N	-1	0	299.398	2.342	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\C=C\c2ccco2)SC1=S	ZINC000002447677	361234325	/nfs/dbraw/zinc/23/43/25/361234325.db2.gz	DHRVUIHJMVTCDI-UGKRUCBZSA-N	-1	0	295.341	2.122	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccccc1Cl	ZINC000100517501	364547428	/nfs/dbraw/zinc/54/74/28/364547428.db2.gz	GKOXPOJLFCAQSH-ASLCJXLESA-N	-1	0	295.755	2.254	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1	ZINC000013409638	394465599	/nfs/dbraw/zinc/46/55/99/394465599.db2.gz	OANYBHUUBYIOSA-UVTDQMKNSA-N	-1	0	282.274	2.287	50	10		CECARM
Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000007277563	301015933	/nfs/dbraw/zinc/01/59/33/301015933.db2.gz	KXGBLGQACSLGDU-IGJMFERPSA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1	ZINC000008557340	361343458	/nfs/dbraw/zinc/34/34/58/361343458.db2.gz	PLGYEYUIBSSBMR-LCYFTJDESA-N	-1	0	296.282	2.254	50	10		CECARM
CCc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000005911312	394459158	/nfs/dbraw/zinc/45/91/58/394459158.db2.gz	DRSLZTVROCTYPA-UHFFFAOYSA-N	-1	0	260.318	2.004	50	10		CECARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1	ZINC000036386389	361843953	/nfs/dbraw/zinc/84/39/53/361843953.db2.gz	MKBJGJYXWRRFHP-UHFFFAOYSA-N	-1	0	290.250	2.370	50	10		CECARM
O=S(=O)([N-]c1ccccc1)c1cccc2nsnc21	ZINC000000208333	361145967	/nfs/dbraw/zinc/14/59/67/361145967.db2.gz	UFOIJEIIDTVUNO-UHFFFAOYSA-N	-1	0	291.357	2.492	50	10		CECARM
COc1ccccc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O	ZINC000000058635	361122822	/nfs/dbraw/zinc/12/28/22/361122822.db2.gz	XQVARADQQSXJMO-SDNWHVSQSA-N	-1	0	294.310	2.157	50	10		CECARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccco1	ZINC000003156105	361265832	/nfs/dbraw/zinc/26/58/32/361265832.db2.gz	ZXAUFGWONRMXLC-XYOKQWHBSA-N	-1	0	288.690	2.394	50	10		CECARM
CCn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21	ZINC000009089920	170363372	/nfs/dbraw/zinc/36/33/72/170363372.db2.gz	RTVGNWMMDLQQGJ-UHFFFAOYSA-N	-1	0	283.287	2.251	50	10		CECARM
CC(C)=C1C(=O)[N-]N(c2cccc(Cl)c2)C1=O	ZINC000000344831	275866763	/nfs/dbraw/zinc/86/67/63/275866763.db2.gz	MMQXMALZEYHTJX-UHFFFAOYSA-N	-1	0	250.685	2.054	50	10		CECARM
CN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000004523660	289790329	/nfs/dbraw/zinc/79/03/29/289790329.db2.gz	IAJZJHABLIYZOZ-RMKNXTFCSA-N	-1	0	279.342	2.216	50	10		CECARM
O=[N+]([O-])c1ccc([O-])c(C2=NN[C@H](c3ccncc3)C2)c1	ZINC000036047028	361825388	/nfs/dbraw/zinc/82/53/88/361825388.db2.gz	UGCFXFZWZFLALL-LBPRGKRZSA-N	-1	0	284.275	2.134	50	10		CECARM
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000001206905	278250716	/nfs/dbraw/zinc/25/07/16/278250716.db2.gz	MAHHEUJIITYGOD-SUNKGSAMSA-N	-1	0	257.289	2.428	50	10		CECARM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004132371	301430129	/nfs/dbraw/zinc/43/01/29/301430129.db2.gz	FQMGHDYQCQVRST-CWSCBRNRSA-N	-1	0	274.276	2.442	50	10		CECARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccco1	ZINC000005006338	628756789	/nfs/dbraw/zinc/75/67/89/628756789.db2.gz	JHMVOSOISNQVEP-WQLSENKSSA-N	-1	0	288.690	2.394	50	10		CECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000005178568	295802454	/nfs/dbraw/zinc/80/24/54/295802454.db2.gz	OPCTXYOBPGILAL-YTDSJMIDSA-N	-1	0	299.398	2.422	50	10		CECARM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000000359740	361164774	/nfs/dbraw/zinc/16/47/74/361164774.db2.gz	ARYACVYIMURALZ-RVDMUPIBSA-N	-1	0	294.310	2.157	50	10		CECARM
O=C1[N-]C(=O)C(=Cc2ccc(Br)cc2)C(=O)N1	ZINC000017027190	296354988	/nfs/dbraw/zinc/35/49/88/296354988.db2.gz	CQEQIOMGDJRDII-UHFFFAOYSA-N	-1	0	295.092	2.039	50	10		CECARM
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004245167	278205409	/nfs/dbraw/zinc/20/54/09/278205409.db2.gz	QLBLLPHHKLJIQF-JTNHKYCSSA-N	-1	0	272.304	2.183	50	10		CECARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000001774415	298215897	/nfs/dbraw/zinc/21/58/97/298215897.db2.gz	GFGSSPUNEUQZRU-FBHKUJJOSA-N	-1	0	293.369	2.361	50	10		CECARM
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)o1	ZINC000013350199	361426556	/nfs/dbraw/zinc/42/65/56/361426556.db2.gz	OMERKMAXFIVYNH-TWGQIWQCSA-N	-1	0	297.357	2.264	50	10		CECARM
Cc1[n-][nH]c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000252622975	371459702	/nfs/dbraw/zinc/45/97/02/371459702.db2.gz	OGYFPVGLDLNTJC-GFCCVEGCSA-N	-1	0	268.280	2.035	50	10		CECARM
O=C([O-])c1c2ccccn2c2c1C(=O)c1ccccc1C2=O	ZINC000001609684	304218239	/nfs/dbraw/zinc/21/82/39/304218239.db2.gz	IWTDBHRFVHGMBT-UHFFFAOYSA-N	-1	0	291.262	2.413	50	10		CECARM
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004245166	278205524	/nfs/dbraw/zinc/20/55/24/278205524.db2.gz	QLBLLPHHKLJIQF-COPLHBTASA-N	-1	0	272.304	2.183	50	10		CECARM
Cc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)o1	ZINC000001803625	301480138	/nfs/dbraw/zinc/48/01/38/301480138.db2.gz	JDZVWSRSJLGWJK-AJQDLKILSA-N	-1	0	297.357	2.262	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\c2ccccc2F)SC1=S	ZINC000000967103	361195069	/nfs/dbraw/zinc/19/50/69/361195069.db2.gz	XBIRTKJQEPDMEI-WEVVVXLNSA-N	-1	0	297.332	2.112	50	10		CECARM
Cc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)o1	ZINC000001803624	361222612	/nfs/dbraw/zinc/22/26/12/361222612.db2.gz	JDZVWSRSJLGWJK-VYVBZAQUSA-N	-1	0	297.357	2.262	50	10		CECARM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000013409642	361428157	/nfs/dbraw/zinc/42/81/57/361428157.db2.gz	ARYACVYIMURALZ-PTNGSMBKSA-N	-1	0	294.310	2.157	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1cccc(Cl)c1	ZINC000100013433	364537952	/nfs/dbraw/zinc/53/79/52/364537952.db2.gz	HRWZBMNGPMIXNH-ASLCJXLESA-N	-1	0	295.755	2.254	50	10		CECARM
COCCC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	ZINC000077436974	394621976	/nfs/dbraw/zinc/62/19/76/394621976.db2.gz	SNOOPLMFNUVEGE-LBPRGKRZSA-N	-1	0	293.363	2.377	50	10		CECARM
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000001196232	285965284	/nfs/dbraw/zinc/96/52/84/285965284.db2.gz	MCLDLXLZBMYXOG-SUNKGSAMSA-N	-1	0	287.315	2.402	50	10		CECARM
O=C1c2ccccc2C(=O)c2c1c([O-])ccc2[N+](=O)[O-]	ZINC000019851611	304721970	/nfs/dbraw/zinc/72/19/70/304721970.db2.gz	XXUOKOYLVBHBCG-UHFFFAOYSA-N	-1	0	269.212	2.076	50	10		CECARM
CC(C)(C)N1C(=O)[N-]C(=O)/C(=C/c2cccs2)C1=O	ZINC000005092062	628774184	/nfs/dbraw/zinc/77/41/84/628774184.db2.gz	SIRGLBUMCOEGNW-CLFYSBASSA-N	-1	0	278.333	2.008	50	10		CECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccoc3)C2=O)cc1	ZINC000004473804	361317793	/nfs/dbraw/zinc/31/77/93/361317793.db2.gz	SBMGYJWFXRUVER-JYRVWZFOSA-N	-1	0	296.282	2.254	50	10		CECARM
O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000003896824	304252184	/nfs/dbraw/zinc/25/21/84/304252184.db2.gz	ASDLSKCKYGVMAI-UHFFFAOYSA-N	-1	0	252.225	2.160	50	10	biogenic,in-vitro	CECARM
O=c1cc(-c2ccc(O)cc2)oc2cc([O-])c(O)c(O)c12	ZINC000005842416	170146368	/nfs/dbraw/zinc/14/63/68/170146368.db2.gz	JVXZRQGOGOXCEC-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10	biogenic,in-vivo	CECARM
Cc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000012587373	170498986	/nfs/dbraw/zinc/49/89/86/170498986.db2.gz	GAQYWLWYKXKTOP-POHAHGRESA-N	-1	0	293.369	2.281	50	10		CECARM
Cc1c2c(ccc1[N+](=O)[O-])[C@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000004237755	301016075	/nfs/dbraw/zinc/01/60/75/301016075.db2.gz	KXGBLGQACSLGDU-RWEMILLDSA-N	-1	0	274.276	2.442	50	10		CECARM
CN1C(=O)[N-]C(=O)C(=CCc2ccnc3ccccc23)C1=O	ZINC000033160845	361772700	/nfs/dbraw/zinc/77/27/00/361772700.db2.gz	KVJAMQUHRGCLJN-XDPIJNQUSA-N	-1	0	295.298	2.484	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	ZINC000001750223	304066614	/nfs/dbraw/zinc/06/66/14/304066614.db2.gz	HNNIYYQDBWHDCQ-WEVVVXLNSA-N	-1	0	297.332	2.112	50	10		CECARM
CC(=O)N[C@H](CS/N=N/c1ccc(C)cc1)C(=O)[O-]	ZINC000016948516	361500053	/nfs/dbraw/zinc/50/00/53/361500053.db2.gz	DXCZQHVBZLKTTE-BFWGRDPESA-N	-1	0	281.337	2.316	50	10		CECARM
COC(=O)c1sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1[O-]	ZINC000003622342	292041004	/nfs/dbraw/zinc/04/10/04/292041004.db2.gz	RVEUEHXRASBOTE-UHFFFAOYSA-N	-1	0	298.232	2.210	50	10		CECARM
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004245131	278250651	/nfs/dbraw/zinc/25/06/51/278250651.db2.gz	MAHHEUJIITYGOD-COPLHBTASA-N	-1	0	257.289	2.428	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C/c2ccsc2)SC1=S	ZINC000001059560	361197327	/nfs/dbraw/zinc/19/73/27/361197327.db2.gz	NHEGFDYEVYVPKD-CLTKARDFSA-N	-1	0	285.371	2.034	50	10		CECARM
CCOC(=O)CSC(=S)[N-]Cc1ccccc1	ZINC000004371704	361315164	/nfs/dbraw/zinc/31/51/64/361315164.db2.gz	PNHXAKPIJFJANL-UHFFFAOYSA-N	-1	0	269.391	2.357	50	10		CECARM
CC(=O)N[C@@H](CS/N=N/c1ccc(C)cc1)C(=O)[O-]	ZINC000016948513	361500299	/nfs/dbraw/zinc/50/02/99/361500299.db2.gz	DXCZQHVBZLKTTE-AKCBPTIMSA-N	-1	0	281.337	2.316	50	10		CECARM
Nc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000019735977	361550532	/nfs/dbraw/zinc/55/05/32/361550532.db2.gz	FFTSAKMFNTZBBI-UHFFFAOYSA-N	-1	0	256.261	2.219	50	10		CECARM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccccc1O	ZINC000002505719	169796587	/nfs/dbraw/zinc/79/65/87/169796587.db2.gz	KWISQTDJMMIQCM-JTQLQIEISA-N	-1	0	281.308	2.433	50	10		CECARM
CCCN1C(=N)/C(=C\c2ccc(OC)cc2)C(=O)[N-]C1=O	ZINC000006937921	361337710	/nfs/dbraw/zinc/33/77/10/361337710.db2.gz	PYQUYFTXKRTPQM-DEIQCHPZSA-N	-1	0	287.319	2.018	50	10		CECARM
Cc1nc(-c2ccccc2)nc2sc(C(N)=O)c([O-])c21	ZINC000013686158	361437139	/nfs/dbraw/zinc/43/71/39/361437139.db2.gz	KLJGZXDDTPRTNF-UHFFFAOYSA-N	-1	0	285.328	2.471	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)cc1C	ZINC000100525232	364547662	/nfs/dbraw/zinc/54/76/62/364547662.db2.gz	FSOGLFMMOPZSSF-RJLNKPMYSA-N	-1	0	289.364	2.217	50	10		CECARM
O=C([O-])[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21	ZINC000004237741	304209459	/nfs/dbraw/zinc/20/94/59/304209459.db2.gz	MUJMYRTUDRUYBU-GMEUVTARSA-N	-1	0	260.249	2.133	50	10		CECARM
O=C([O-])CCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000001793555	169757688	/nfs/dbraw/zinc/75/76/88/169757688.db2.gz	CUASGFQGSJQCIZ-SOFGYWHQSA-N	-1	0	299.398	2.424	50	10		CECARM
Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000005392713	170093821	/nfs/dbraw/zinc/09/38/21/170093821.db2.gz	XBGYBCYHINUOAA-UHFFFAOYSA-N	-1	0	289.316	2.332	50	10		CECARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1	ZINC000036522128	361848065	/nfs/dbraw/zinc/84/80/65/361848065.db2.gz	BIPQUPFCQZMATF-LCYFTJDESA-N	-1	0	295.298	2.194	50	10		CECARM
Cc1ccccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000003213193	361268428	/nfs/dbraw/zinc/26/84/28/361268428.db2.gz	GAQYWLWYKXKTOP-UXBLZVDNSA-N	-1	0	293.369	2.281	50	10		CECARM
Cc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)s1	ZINC000012598684	361393119	/nfs/dbraw/zinc/39/31/19/361393119.db2.gz	BTDIVABZBLATTH-YWEYNIOJSA-N	-1	0	299.398	2.342	50	10		CECARM
CN1C(=O)[N-]C(=O)C(=CCc2ccc3ccccc3n2)C1=O	ZINC000016915537	361498179	/nfs/dbraw/zinc/49/81/79/361498179.db2.gz	QGBQACPJWNESPU-OJOCYUAFSA-N	-1	0	295.298	2.484	50	10		CECARM
CN(C)c1ccc([C@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)cc1	ZINC000004347826	184531867	/nfs/dbraw/zinc/53/18/67/184531867.db2.gz	KMUBBRNQZPZYJM-RYUDHWBXSA-N	-1	0	280.393	2.319	50	10		CECARM
O=C([O-])c1ccc([N+](=O)[O-])c2c1NC[C@H]1CC=C[C@@H]21	ZINC000003684685	304251166	/nfs/dbraw/zinc/25/11/66/304251166.db2.gz	GKTXCAVWZLTBSG-HTQZYQBOSA-N	-1	0	260.249	2.378	50	10		CECARM
COc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000007275045	295031706	/nfs/dbraw/zinc/03/17/06/295031706.db2.gz	PVYYIZZOQDXNMG-MWODSPESSA-N	-1	0	290.275	2.142	50	10		CECARM
CC(=C1SC(=S)N=C1[O-])c1cccc(O)c1	ZINC000001319410	527509652	/nfs/dbraw/zinc/50/96/52/527509652.db2.gz	ZCPCMWDOKOEAKZ-RMKNXTFCSA-N	-1	0	251.332	2.271	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1F	ZINC000004693062	361327668	/nfs/dbraw/zinc/32/76/68/361327668.db2.gz	KDRWAXJNYPTMKM-RAXLEYEMSA-N	-1	0	282.274	2.287	50	10		CECARM
COC(=O)c1sc(C)c(Br)c1[O-]	ZINC000034238052	292040420	/nfs/dbraw/zinc/04/04/20/292040420.db2.gz	BHECESYNGLJWQG-UHFFFAOYSA-N	-1	0	251.101	2.311	50	10		CECARM
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])SC1=S	ZINC000016667148	289790370	/nfs/dbraw/zinc/79/03/70/289790370.db2.gz	AYXCAXSQBYQJHQ-UITAMQMPSA-N	-1	0	296.329	2.131	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000000966926	361195008	/nfs/dbraw/zinc/19/50/08/361195008.db2.gz	CEIMGRLZNNVXBO-QPJJXVBHSA-N	-1	0	285.371	2.034	50	10		CECARM
O=C([O-])c1cc(O)ccc1NC(=O)c1cccs1	ZINC000004454412	361317736	/nfs/dbraw/zinc/31/77/36/361317736.db2.gz	DVPYPJCHKZKOJU-UHFFFAOYSA-N	-1	0	263.274	2.404	50	10		CECARM
O=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])c(O)cc12	ZINC000014757256	361459862	/nfs/dbraw/zinc/45/98/62/361459862.db2.gz	GGHXUACYEVVMIT-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10		CECARM
Cc1[n-][nH]c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000103609025	364665389	/nfs/dbraw/zinc/66/53/89/364665389.db2.gz	OGYFPVGLDLNTJC-PFFGMESJSA-N	-1	0	268.280	2.035	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccccc1Cl	ZINC000252605607	371459207	/nfs/dbraw/zinc/45/92/07/371459207.db2.gz	GKOXPOJLFCAQSH-VIFPVBQESA-N	-1	0	295.755	2.254	50	10		CECARM
CN1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O	ZINC000008996058	277016237	/nfs/dbraw/zinc/01/62/37/277016237.db2.gz	QLGAVODOGKVSAF-POHAHGRESA-N	-1	0	269.260	2.100	50	10		CECARM
Cn1ccc2c1nccc2-c1cncc(C(=O)[O-])c1	ZINC000077303385	540536507	/nfs/dbraw/zinc/53/65/07/540536507.db2.gz	SACKAJXMMCXNQH-UHFFFAOYSA-N	-1	0	253.261	2.334	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccs1	ZINC000000296614	361158131	/nfs/dbraw/zinc/15/81/31/361158131.db2.gz	VYMOXHRGVXEVOZ-FMIVXFBMSA-N	-1	0	270.313	2.210	50	10	aggregator	CECARM
COc1ccc(/C=C2\N=C(c3ccccc3)N[N-]C2=O)cc1	ZINC000001036619	361196710	/nfs/dbraw/zinc/19/67/10/361196710.db2.gz	DJXRUZNCINQKPH-PTNGSMBKSA-N	-1	0	293.326	2.117	50	10		CECARM
CN(C)c1ccc([C@@H]2N[C@H](C(=O)[O-])C(C)(C)S2)cc1	ZINC000004640735	361324360	/nfs/dbraw/zinc/32/43/60/361324360.db2.gz	KMUBBRNQZPZYJM-VXGBXAGGSA-N	-1	0	280.393	2.319	50	10		CECARM
O=C([O-])c1ccc(C=C2SC(=S)NC2=O)cc1	ZINC000002536916	304231817	/nfs/dbraw/zinc/23/18/17/304231817.db2.gz	CEGWYNRNQDQLNJ-VMPITWQZSA-N	-1	0	265.315	2.285	50	10		CECARM
C[C@H](Sc1ncccc1Nc1ccc(N)cn1)C(=O)[O-]	ZINC000005634457	184532565	/nfs/dbraw/zinc/53/25/65/184532565.db2.gz	HVWHSESOMZXOPG-QMMMGPOBSA-N	-1	0	290.348	2.368	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\[C@@H]2CC=CCC2)SC1=S	ZINC000005376479	170091238	/nfs/dbraw/zinc/09/12/38/170091238.db2.gz	NAEDSAXIBWILRE-GTUWVTDSSA-N	-1	0	283.374	2.172	50	10		CECARM
CCCCN1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O	ZINC000009044255	170361934	/nfs/dbraw/zinc/36/19/34/170361934.db2.gz	ZLVPCZBJJVKNHZ-LUAWRHEFSA-N	-1	0	275.308	2.127	50	10		CECARM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccccc1O	ZINC000002585836	169814202	/nfs/dbraw/zinc/81/42/02/169814202.db2.gz	KWISQTDJMMIQCM-SNVBAGLBSA-N	-1	0	281.308	2.433	50	10		CECARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000001774411	361221866	/nfs/dbraw/zinc/22/18/66/361221866.db2.gz	GFGSSPUNEUQZRU-LRUQUBRESA-N	-1	0	293.369	2.361	50	10		CECARM
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]	ZINC000003764925	361290652	/nfs/dbraw/zinc/29/06/52/361290652.db2.gz	DDUFPRLGKYQAIO-NJERVBSYSA-N	-1	0	267.310	2.008	50	10		CECARM
CN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2[O-])SC1=S	ZINC000015011517	361464990	/nfs/dbraw/zinc/46/49/90/361464990.db2.gz	DYPMEUSUFWXBDB-VMPITWQZSA-N	-1	0	296.329	2.131	50	10		CECARM
COC(=O)c1sc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c1[O-]	ZINC000003851319	292041036	/nfs/dbraw/zinc/04/10/36/292041036.db2.gz	BIPYHIMLRCSPSG-UHFFFAOYSA-N	-1	0	298.232	2.210	50	10		CECARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccs1	ZINC000006282409	170188475	/nfs/dbraw/zinc/18/84/75/170188475.db2.gz	VYMOXHRGVXEVOZ-XFXZXTDPSA-N	-1	0	270.313	2.210	50	10		CECARM
CC(=C1SC(=S)N=C1[O-])c1ccc([N+](=O)[O-])cc1	ZINC000003126436	277729083	/nfs/dbraw/zinc/72/90/83/277729083.db2.gz	RVRDYSKSQJDHEH-RMKNXTFCSA-N	-1	0	280.330	2.474	50	10		CECARM
COc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1	ZINC000000346671	295156229	/nfs/dbraw/zinc/15/62/29/295156229.db2.gz	LYYLAXSLLVRTCM-UHFFFAOYSA-N	-1	0	297.266	2.194	50	10		CECARM
O=C1[N-]C(=O)C(=Cc2cccc(Br)c2)C(=O)N1	ZINC000002842688	361255898	/nfs/dbraw/zinc/25/58/98/361255898.db2.gz	VRLYMEBBBXWLQN-UHFFFAOYSA-N	-1	0	295.092	2.039	50	10		CECARM
O=C([O-])[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21	ZINC000004320372	304209420	/nfs/dbraw/zinc/20/94/20/304209420.db2.gz	MUJMYRTUDRUYBU-FDOIEUKUSA-N	-1	0	260.249	2.133	50	10		CECARM
COc1c(C)c(O)cc2c1C(=O)c1ccc([O-])cc1C2=O	ZINC000014814165	394464668	/nfs/dbraw/zinc/46/46/68/394464668.db2.gz	FDRWSVGPMGRFGX-UHFFFAOYSA-N	-1	0	284.267	2.190	50	10	biogenic,in-vitro	CECARM
CN1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2)C1=O	ZINC000033317443	277016276	/nfs/dbraw/zinc/01/62/76/277016276.db2.gz	KTUXDZXCUWESKB-MWYRAJAISA-N	-1	0	256.261	2.175	50	10		CECARM
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2	ZINC000004245168	278205510	/nfs/dbraw/zinc/20/55/10/278205510.db2.gz	QLBLLPHHKLJIQF-MISXGVKJSA-N	-1	0	272.304	2.183	50	10		CECARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccoc1	ZINC000009165047	361344821	/nfs/dbraw/zinc/34/48/21/361344821.db2.gz	IOVDPPUONXZYJD-XYOKQWHBSA-N	-1	0	298.323	2.111	50	10		CECARM
COC(=O)c1cccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000005611465	292022736	/nfs/dbraw/zinc/02/27/36/292022736.db2.gz	MVRAHNKBSITDJL-DVYJOKAKSA-N	-1	0	273.288	2.012	50	10		CECARM
O=C([O-])CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S	ZINC000001086352	394451381	/nfs/dbraw/zinc/45/13/81/394451381.db2.gz	SUCVQHNJHLDKDZ-WEVVVXLNSA-N	-1	0	297.332	2.112	50	10		CECARM
Cc1nn(C)c(C)c1-c1c([O-])c(=O)n(C)c2ccccc21	ZINC000526052618	261083358	/nfs/dbraw/zinc/08/33/58/261083358.db2.gz	WGYSHQDHAFCTMK-UHFFFAOYSA-N	-1	0	283.331	2.261	50	10		CECARM
COc1ccccc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000032273104	361734220	/nfs/dbraw/zinc/73/42/20/361734220.db2.gz	XQVARADQQSXJMO-KAMYIIQDSA-N	-1	0	294.310	2.157	50	10		CECARM
CC(=O)NC1=NC(=O)/C(=C/c2ccc([O-])c(Cl)c2)S1	ZINC000000468697	361178330	/nfs/dbraw/zinc/17/83/30/361178330.db2.gz	IXGRVDBNCNWQQF-YHYXMXQVSA-N	-1	0	296.735	2.152	50	10		CECARM
Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)[N-]C1=O	ZINC000000860081	361194603	/nfs/dbraw/zinc/19/46/03/361194603.db2.gz	PUDNAIYXDHIHAA-GXDHUFHOSA-N	-1	0	285.347	2.166	50	10		CECARM
O=C([O-])COc1ccccc1C=C1SC(=S)NC1=O	ZINC000002536917	361239550	/nfs/dbraw/zinc/23/95/50/361239550.db2.gz	NVLJUKAUSGTIHG-WEVVVXLNSA-N	-1	0	295.341	2.050	50	10		CECARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccccc3)c2n1	ZINC000102522011	364599085	/nfs/dbraw/zinc/59/90/85/364599085.db2.gz	NQJGYLSUBPQHAB-WUKNDPDISA-N	-1	0	268.280	2.329	50	10		CECARM
O=C([O-])c1ccc([N+](=O)[O-])c2c1NC[C@H]1CC=C[C@H]21	ZINC000003684684	304251099	/nfs/dbraw/zinc/25/10/99/304251099.db2.gz	GKTXCAVWZLTBSG-SFYZADRCSA-N	-1	0	260.249	2.378	50	10		CECARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccoc1	ZINC000005043939	280281025	/nfs/dbraw/zinc/28/10/25/280281025.db2.gz	IOVDPPUONXZYJD-WQLSENKSSA-N	-1	0	298.323	2.111	50	10		CECARM
O=C([O-])CCN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000001297887	361199649	/nfs/dbraw/zinc/19/96/49/361199649.db2.gz	MGSYHFSSOOVWOY-NTMALXAHSA-N	-1	0	293.369	2.363	50	10		CECARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccco3)C2=O)cc1C	ZINC000004460746	361317396	/nfs/dbraw/zinc/31/73/96/361317396.db2.gz	ZIAKVJNCMCSJLI-ZROIWOOFSA-N	-1	0	282.299	2.358	50	10		CECARM
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc([O-])ccc12	ZINC000017887543	361512582	/nfs/dbraw/zinc/51/25/82/361512582.db2.gz	CCCIGFPBADVTFE-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10		CECARM
Nc1[nH]c(=S)[nH]c(=O)c1N=Nc1ccc(C(=O)[O-])cc1	ZINC000027551096	361653957	/nfs/dbraw/zinc/65/39/57/361653957.db2.gz	PPBDDZSHDKYAQM-FOCLMDBBSA-N	-1	0	291.292	2.128	50	10		CECARM
O=C1[N-]N(c2cccc(F)c2)C(=O)/C1=C\c1ccccc1	ZINC000000386326	394449036	/nfs/dbraw/zinc/44/90/36/394449036.db2.gz	PGXJUFAHNHTALJ-ZROIWOOFSA-N	-1	0	282.274	2.287	50	10		CECARM
CC(C)=C1C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000000340416	394449221	/nfs/dbraw/zinc/44/92/21/394449221.db2.gz	GWRWDYIFEVZNMG-UHFFFAOYSA-N	-1	0	295.136	2.163	50	10		CECARM
CN1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2)C1=O	ZINC000013553066	277016123	/nfs/dbraw/zinc/01/61/23/277016123.db2.gz	KTUXDZXCUWESKB-PAUBHIBZSA-N	-1	0	256.261	2.175	50	10		CECARM
Cc1cc(=O)n2[n-]c(=O)c(N=Nc3ccccc3F)c2[nH]1	ZINC000004649635	280305171	/nfs/dbraw/zinc/30/51/71/280305171.db2.gz	UUFWBAJHWXVSPJ-WUKNDPDISA-N	-1	0	287.254	2.179	50	10		CECARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccccc3F)c2n1	ZINC000334159040	344762107	/nfs/dbraw/zinc/76/21/07/344762107.db2.gz	YFAIUTPYKWNXCU-UHFFFAOYSA-N	-1	0	286.270	2.468	50	10		CECARM
CC(=O)N[C@H](CS/N=N/c1ccccc1)C(=O)[O-]	ZINC000003764927	361290822	/nfs/dbraw/zinc/29/08/22/361290822.db2.gz	DDUFPRLGKYQAIO-WBNXYMAISA-N	-1	0	267.310	2.008	50	10		CECARM
O=C([O-])[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21	ZINC000004320374	304154888	/nfs/dbraw/zinc/15/48/88/304154888.db2.gz	MUJMYRTUDRUYBU-JWKOBGCHSA-N	-1	0	260.249	2.133	50	10		CECARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccccc1Cl	ZINC000252605606	371459668	/nfs/dbraw/zinc/45/96/68/371459668.db2.gz	GKOXPOJLFCAQSH-SECBINFHSA-N	-1	0	295.755	2.254	50	10		CECARM
CCN1C(=O)C(=C([O-])c2ccccc2)SC1=S	ZINC000004705026	170002264	/nfs/dbraw/zinc/00/22/64/170002264.db2.gz	JLLAFMARDKIODB-JTQLQIEISA-N	-1	0	265.359	2.118	50	10		CECARM
CCCOc1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC000014000368	361446611	/nfs/dbraw/zinc/44/66/11/361446611.db2.gz	KOHAFJIRGJDLHN-UHFFFAOYSA-N	-1	0	265.309	2.010	50	10		CECARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccccc3F)c2n1	ZINC000102522015	364598574	/nfs/dbraw/zinc/59/85/74/364598574.db2.gz	YFAIUTPYKWNXCU-ISLYRVAYSA-N	-1	0	286.270	2.468	50	10		CECARM
O=C([O-])c1cc(O)ccc1NC(=O)c1ccccc1	ZINC000004724865	304226519	/nfs/dbraw/zinc/22/65/19/304226519.db2.gz	ZRPNLHDAUCSAJI-UHFFFAOYSA-N	-1	0	257.245	2.343	50	10		CECARM
C[C@@H](C(=O)[O-])n1cc(-c2ccnc3c2ccn3C)cn1	ZINC000072138791	176322872	/nfs/dbraw/zinc/32/28/72/176322872.db2.gz	ORYXAVPUIUIXPA-VIFPVBQESA-N	-1	0	270.292	2.082	50	10		CECARM
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2	ZINC000169306397	278205416	/nfs/dbraw/zinc/20/54/16/278205416.db2.gz	QLBLLPHHKLJIQF-GYSYKLTISA-N	-1	0	272.304	2.183	50	10		CECARM
C=C1Nc2ccccc2S([O-])=C1C(=O)OCC	ZINC000004054002	279530597	/nfs/dbraw/zinc/53/05/97/279530597.db2.gz	LICNNHIUDKUNBE-QGZVFWFLSA-N	-1	0	251.307	2.014	50	10		CECARM
Nc1c([S-])cc(O)c2c1C(=O)c1ccccc1C2=O	ZINC000004522752	303492608	/nfs/dbraw/zinc/49/26/08/303492608.db2.gz	FRYOPPDGWFBTKY-UHFFFAOYSA-N	-1	0	271.297	2.039	50	10		CECARM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008411249	361342909	/nfs/dbraw/zinc/34/29/09/361342909.db2.gz	MDIZWWWSVVGOAJ-RVBZMBCESA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1cc([N+](=O)[O-])cc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000004132367	301429971	/nfs/dbraw/zinc/42/99/71/301429971.db2.gz	FQMGHDYQCQVRST-KWBADKCTSA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O	ZINC000005343944	302103871	/nfs/dbraw/zinc/10/38/71/302103871.db2.gz	KZEKQUAFXOYMLJ-XFXZXTDPSA-N	-1	0	296.282	2.254	50	10		CECARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1cccs1	ZINC000000368293	361166467	/nfs/dbraw/zinc/16/64/67/361166467.db2.gz	JEITXJUBDOIWJN-XYOKQWHBSA-N	-1	0	288.303	2.349	50	10		CECARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1	ZINC000000368313	284912206	/nfs/dbraw/zinc/91/22/06/284912206.db2.gz	RQXYHQUNKBQPKO-UVTDQMKNSA-N	-1	0	282.274	2.287	50	10		CECARM
COCCC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	ZINC000077436976	394622286	/nfs/dbraw/zinc/62/22/86/394622286.db2.gz	SNOOPLMFNUVEGE-GFCCVEGCSA-N	-1	0	293.363	2.377	50	10		CECARM
O=C([O-])c1ccc(C(=O)C(=O)c2ccccc2)cc1	ZINC000003269660	169874207	/nfs/dbraw/zinc/87/42/07/169874207.db2.gz	MWJHDSAAGSURCA-UHFFFAOYSA-N	-1	0	254.241	2.450	50	10	in-vivo	CECARM
COc1cccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])c1	ZINC000004833719	170026256	/nfs/dbraw/zinc/02/62/56/170026256.db2.gz	SGWNAKNYHCYLMJ-UHFFFAOYSA-N	-1	0	287.271	2.351	50	10		CECARM
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc([O-])ccc12	ZINC000000039111	361119761	/nfs/dbraw/zinc/11/97/61/361119761.db2.gz	XHEFDIBZLJXQHF-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10	aggregator,biogenic,in-vivo	CECARM
Cc1cccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1	ZINC000001191675	361199632	/nfs/dbraw/zinc/19/96/32/361199632.db2.gz	DENZGZYPQYLMFP-UXBLZVDNSA-N	-1	0	293.369	2.281	50	10		CECARM
COc1ccccc1C(=O)C(=O)c1ccccc1[O-]	ZINC000095115810	364340198	/nfs/dbraw/zinc/34/01/98/364340198.db2.gz	DMYOXNKYTWMPJG-UHFFFAOYSA-N	-1	0	256.257	2.466	50	10		CECARM
CCOC(=O)[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000001418687	394451528	/nfs/dbraw/zinc/45/15/28/394451528.db2.gz	LQFSYWYGZHWLIW-MJVIPROJSA-N	-1	0	287.315	2.402	50	10		CECARM
COC(=O)c1sc(OC)c(C(F)(F)F)c1[O-]	ZINC000000099495	292040928	/nfs/dbraw/zinc/04/09/28/292040928.db2.gz	WUHQAKSKDRMUCX-UHFFFAOYSA-N	-1	0	256.201	2.268	50	10		CECARM
CN1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O	ZINC000018101074	277016214	/nfs/dbraw/zinc/01/62/14/277016214.db2.gz	QLGAVODOGKVSAF-UXBLZVDNSA-N	-1	0	269.260	2.100	50	10		CECARM
O=C1c2nc(C(F)(F)F)[n-]c2C(=O)c2ccccc21	ZINC000013233860	304723078	/nfs/dbraw/zinc/72/30/78/304723078.db2.gz	PHPJMZOYFCPGKY-UHFFFAOYSA-N	-1	0	266.178	2.204	50	10		CECARM
Cc1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004237776	301862099	/nfs/dbraw/zinc/86/20/99/301862099.db2.gz	MDIZWWWSVVGOAJ-RWEMILLDSA-N	-1	0	274.276	2.442	50	10		CECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)c1	ZINC000004465087	136394195	/nfs/dbraw/zinc/39/41/95/136394195.db2.gz	ASCRBSLPCXJPOT-LCYFTJDESA-N	-1	0	296.282	2.254	50	10		CECARM
COc1cccc(N=Nc2c(=O)[n-]n3c2[nH]c(C)cc3=O)c1	ZINC000334159072	344762096	/nfs/dbraw/zinc/76/20/96/344762096.db2.gz	ZZCNPODJTKJXFC-UHFFFAOYSA-N	-1	0	299.290	2.461	50	10		CECARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccoc2)C1=O	ZINC000000440902	361175112	/nfs/dbraw/zinc/17/51/12/361175112.db2.gz	CYVINJUVVMWURB-XYOKQWHBSA-N	-1	0	296.282	2.254	50	10		CECARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000000966871	361194262	/nfs/dbraw/zinc/19/42/62/361194262.db2.gz	GVNQGVLYSOUCNH-VQHVLOKHSA-N	-1	0	297.357	2.346	50	10		CECARM
COC(=O)c1cccc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000018195376	292022705	/nfs/dbraw/zinc/02/27/05/292022705.db2.gz	MVRAHNKBSITDJL-PLMOITTCSA-N	-1	0	273.288	2.012	50	10		CECARM
Cc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)o1	ZINC000001803626	169758149	/nfs/dbraw/zinc/75/81/49/169758149.db2.gz	JDZVWSRSJLGWJK-WVXOVRIESA-N	-1	0	297.357	2.262	50	10		CECARM
Cc1cc(C=O)c(C)n1-c1ccc(OCC(=O)[O-])cc1	ZINC000004758598	170012505	/nfs/dbraw/zinc/01/25/05/170012505.db2.gz	ZUJFOJPVRRGGKE-UHFFFAOYSA-N	-1	0	273.288	2.370	50	10		CECARM
O=C([O-])c1cccc(C(=O)C(=O)c2ccccc2)c1	ZINC000034746194	343420496	/nfs/dbraw/zinc/42/04/96/343420496.db2.gz	CRZHLWVYPOZCFQ-UHFFFAOYSA-N	-1	0	254.241	2.450	50	10		CECARM
O=c1c(O)c(-c2ccccc2O)oc2c(O)c([O-])ccc12	ZINC000002573950	361241571	/nfs/dbraw/zinc/24/15/71/361241571.db2.gz	NDYHNWYIGCMVMF-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10		CECARM
Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)o1	ZINC000012462488	361385837	/nfs/dbraw/zinc/38/58/37/361385837.db2.gz	UOFRADYPBPSJLJ-JYRVWZFOSA-N	-1	0	286.262	2.189	50	10		CECARM
CC(C)=C1C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000000783629	394450340	/nfs/dbraw/zinc/45/03/40/394450340.db2.gz	DIDYMTYHUDSCKB-UHFFFAOYSA-N	-1	0	295.136	2.163	50	10		CECARM
COC(=O)c1sc2ccc(C(=O)OC)cc2c1[O-]	ZINC000044126921	175144269	/nfs/dbraw/zinc/14/42/69/175144269.db2.gz	CBDXKMLYLQNSMO-UHFFFAOYSA-N	-1	0	266.274	2.180	50	10		CECARM
Cc1ccc(/C=C2/N=C(c3ccccc3)N[N-]C2=O)cc1	ZINC000001036606	301479997	/nfs/dbraw/zinc/47/99/97/301479997.db2.gz	CBYADBMAQMPHAZ-RVDMUPIBSA-N	-1	0	277.327	2.417	50	10		CECARM
O=C(c1sc2ccccc2c1[O-])N1CCOCC1	ZINC000045068735	328754600	/nfs/dbraw/zinc/75/46/00/328754600.db2.gz	MZWGCZIYWZBRNO-UHFFFAOYSA-N	-1	0	263.318	2.079	50	10		CECARM
Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)s1	ZINC000095990420	185057638	/nfs/dbraw/zinc/05/76/38/185057638.db2.gz	KEDPXTBWTSLMDV-UHFFFAOYSA-N	-1	0	284.362	2.266	50	10		CECARM
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c([O-])ccc12	ZINC000000057844	361122487	/nfs/dbraw/zinc/12/24/87/361122487.db2.gz	ARYCMKPCDNHQCL-UHFFFAOYSA-N	-1	0	286.239	2.282	50	10	in-vivo	CECARM
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000008411261	361343723	/nfs/dbraw/zinc/34/37/23/361343723.db2.gz	MDIZWWWSVVGOAJ-IGJMFERPSA-N	-1	0	274.276	2.442	50	10		CECARM
O=C([O-])[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21	ZINC000004320373	304154749	/nfs/dbraw/zinc/15/47/49/304154749.db2.gz	MUJMYRTUDRUYBU-VFWDIBGWSA-N	-1	0	260.249	2.133	50	10		CECARM
O=C([O-])[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004237801	304209411	/nfs/dbraw/zinc/20/94/11/304209411.db2.gz	FVGRNYLHBYNHAI-SBMIAAHKSA-N	-1	0	260.249	2.133	50	10		CECARM
CCOC(=O)[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004140573	394455169	/nfs/dbraw/zinc/45/51/69/394455169.db2.gz	LQFSYWYGZHWLIW-WDMOLILDSA-N	-1	0	287.315	2.402	50	10		CECARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc[nH]2)SC1=S	ZINC000005374588	170090598	/nfs/dbraw/zinc/09/05/98/170090598.db2.gz	PGJVLHLSUAIKLM-HWPCKVLBSA-N	-1	0	296.373	2.079	50	10		CECARM
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000000297014	278205446	/nfs/dbraw/zinc/20/54/46/278205446.db2.gz	QLBLLPHHKLJIQF-SUNKGSAMSA-N	-1	0	272.304	2.183	50	10		CECARM
CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2[O-])SC1=S	ZINC000012694995	289790086	/nfs/dbraw/zinc/79/00/86/289790086.db2.gz	AYXCAXSQBYQJHQ-WEVVVXLNSA-N	-1	0	296.329	2.131	50	10		CECARM
COCc1cc(C)nc2sc(C(=O)[O-])c(N)c21	ZINC000019851590	293299157	/nfs/dbraw/zinc/29/91/57/293299157.db2.gz	DZICNDGCVYVDNU-UHFFFAOYSA-N	-1	0	252.295	2.032	50	10		CECARM
CCOC(=O)[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000004140574	361302736	/nfs/dbraw/zinc/30/27/36/361302736.db2.gz	LQFSYWYGZHWLIW-MISXGVKJSA-N	-1	0	287.315	2.402	50	10		CECARM
Cc1ccc([N+](=O)[O-])c2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000008411255	361343747	/nfs/dbraw/zinc/34/37/47/361343747.db2.gz	MDIZWWWSVVGOAJ-MWODSPESSA-N	-1	0	274.276	2.442	50	10		CECARM
C[C@@H](Sc1ncccc1Nc1ccc(N)cn1)C(=O)[O-]	ZINC000005634488	361333729	/nfs/dbraw/zinc/33/37/29/361333729.db2.gz	HVWHSESOMZXOPG-MRVPVSSYSA-N	-1	0	290.348	2.368	50	10		CECARM
Cn1cccc1C=C1C(=O)[N-]C(=O)N(C(C)(C)C)C1=O	ZINC000017027761	361502531	/nfs/dbraw/zinc/50/25/31/361502531.db2.gz	OEFQQVZNXMOVGB-NTMALXAHSA-N	-1	0	275.308	2.126	50	10		CECARM
O=C([O-])[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21	ZINC000017241445	304154883	/nfs/dbraw/zinc/15/48/83/304154883.db2.gz	MUJMYRTUDRUYBU-LPBBDHJYSA-N	-1	0	260.249	2.133	50	10		CECARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccco1	ZINC000002990206	296356998	/nfs/dbraw/zinc/35/69/98/296356998.db2.gz	YJPITOYGJDCZPA-FMIVXFBMSA-N	-1	0	288.303	2.074	50	10		CECARM
Cc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21	ZINC000005392747	170094022	/nfs/dbraw/zinc/09/40/22/170094022.db2.gz	FXZYHKONSVVMGW-UHFFFAOYSA-N	-1	0	289.316	2.332	50	10		CECARM
CCOC(=O)c1nc[nH]c1NN=C1C=CC(=O)C=C1[O-]	ZINC000006693794	170226774	/nfs/dbraw/zinc/22/67/74/170226774.db2.gz	ADSNPVMAPHWQEG-FOCLMDBBSA-N	-1	0	276.252	2.413	50	10		CECARM
CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000008741194	170353562	/nfs/dbraw/zinc/35/35/62/170353562.db2.gz	HNJWTHLJVIZNGM-UHFFFAOYSA-N	-1	0	287.319	2.123	50	10		CECARM
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2	ZINC000004245165	278205476	/nfs/dbraw/zinc/20/54/76/278205476.db2.gz	QLBLLPHHKLJIQF-UHIISALHSA-N	-1	0	272.304	2.183	50	10		CECARM
O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCCC1	ZINC000004539367	304773323	/nfs/dbraw/zinc/77/33/23/304773323.db2.gz	UHKQMARVSRNCNE-UHFFFAOYSA-N	-1	0	296.175	2.484	50	10		CECARM
O=[N+]([O-])c1ccc([O-])c(C2=NN[C@@H](c3ccncc3)C2)c1	ZINC000036047029	361825366	/nfs/dbraw/zinc/82/53/66/361825366.db2.gz	UGCFXFZWZFLALL-GFCCVEGCSA-N	-1	0	284.275	2.134	50	10		CECARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccoc3)C2=O)c1	ZINC000004471223	361317475	/nfs/dbraw/zinc/31/74/75/361317475.db2.gz	UXCBMSONMKDLSL-JYRVWZFOSA-N	-1	0	296.282	2.254	50	10		CECARM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1CN=O	ZINC000013371008	361426420	/nfs/dbraw/zinc/42/64/20/361426420.db2.gz	OXNOKBVBXJHKKB-POHAHGRESA-N	-1	0	296.124	2.034	50	10		CECARM