smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(Cl)c3)C2=O)cc1	ZINC000100345459	960100950	/nfs/dbraw/zinc/10/09/50/960100950.db2.gz	NNKQLSYFAASCCM-GDNBJRDFSA-N	0	2	371.780	2.927	50	10		FFCALN
COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O	ZINC000016667721	1022320046	/nfs/dbraw/zinc/32/00/46/1022320046.db2.gz	NZYIZHFMXVCXMI-ZSOIEALJSA-N	0	2	373.752	2.718	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCCC1=CCCCC1	ZINC000100401622	132232597	/nfs/dbraw/zinc/23/25/97/132232597.db2.gz	HOMBYHPWJGJCTF-OWBHPGMISA-N	0	2	357.385	2.773	50	10		FFCALN
O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2nonc21	ZINC000001038800	506245789	/nfs/dbraw/zinc/24/57/89/506245789.db2.gz	KOOGCVYXTDTARL-UHFFFAOYSA-N	0	2	359.285	2.922	50	10		FFCALN
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccnc1SC(F)F	ZINC000035286717	506377676	/nfs/dbraw/zinc/37/76/76/506377676.db2.gz	XOHXVIIGHWBFOK-UHFFFAOYSA-N	0	2	355.322	2.940	50	10		FFCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1	ZINC000004834183	506397104	/nfs/dbraw/zinc/39/71/04/506397104.db2.gz	RWMQNBBEBKECLU-DHDCSXOGSA-N	0	2	364.357	2.644	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1Cl	ZINC000005100866	506422460	/nfs/dbraw/zinc/42/24/60/506422460.db2.gz	XIFNPGOAGXVAGL-SDQBBNPISA-N	0	2	372.764	2.726	50	10		FFCALN
CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cn1	ZINC000013543717	506943285	/nfs/dbraw/zinc/94/32/85/506943285.db2.gz	IITOKPQREYYCBM-SDQBBNPISA-N	0	2	374.809	2.518	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000016309503	507080905	/nfs/dbraw/zinc/08/09/05/507080905.db2.gz	VHQBLFDKZDUWNW-UVTDQMKNSA-N	0	2	366.373	2.679	50	10		FFCALN
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1	ZINC000017905862	507130408	/nfs/dbraw/zinc/13/04/08/507130408.db2.gz	YKTGCLRLQRYEJA-UHFFFAOYSA-N	0	2	351.156	2.993	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)c1	ZINC000001208516	536596948	/nfs/dbraw/zinc/59/69/48/536596948.db2.gz	KCMMNOSFWVFLFC-GZTJUZNOSA-N	0	2	350.374	2.978	50	10		FFCALN
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc[nH]n3)c2)cc1	ZINC000005447762	204209133	/nfs/dbraw/zinc/20/91/33/204209133.db2.gz	ANDITESYZDMDFP-UHFFFAOYSA-N	0	2	362.436	2.771	50	10		FFCALN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O	ZINC000005101226	506422430	/nfs/dbraw/zinc/42/24/30/506422430.db2.gz	DBUUXPJIHDEXEH-NTCAYCPXSA-N	0	2	365.389	2.855	50	10		FFCALN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(N(C)C)cc2)C1=O	ZINC000005593440	506450438	/nfs/dbraw/zinc/45/04/38/506450438.db2.gz	SGCDLXXXDQWJEQ-VBKFSLOCSA-N	0	2	364.405	2.640	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]	ZINC000016667588	507104049	/nfs/dbraw/zinc/10/40/49/507104049.db2.gz	IFWWMEKPFDEKSI-QPEQYQDCSA-N	0	2	373.752	2.718	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000022107423	507279347	/nfs/dbraw/zinc/27/93/47/507279347.db2.gz	JRDXVHFORFPINK-GDNBJRDFSA-N	0	2	366.373	2.679	50	10		FFCALN
Nc1[nH]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc2c(c1)OCO2	ZINC000334159029	511466814	/nfs/dbraw/zinc/46/68/14/511466814.db2.gz	OPWYIFHKRZZDOC-UHFFFAOYSA-N	0	2	352.354	2.628	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000001192846	536597375	/nfs/dbraw/zinc/59/73/75/536597375.db2.gz	YFGZGXMQDUFQHG-XNTDXEJSSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000000843150	536598300	/nfs/dbraw/zinc/59/83/00/536598300.db2.gz	VIEZHKFBZLEPLD-GZTJUZNOSA-N	0	2	350.374	2.978	50	10		FFCALN
O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(O)c1	ZINC000001188454	727774334	/nfs/dbraw/zinc/77/43/34/727774334.db2.gz	OQKZRPMHAHLXIB-BJMVGYQFSA-N	0	2	365.172	2.866	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1	ZINC000000845433	1014218221	/nfs/dbraw/zinc/21/82/21/1014218221.db2.gz	LKHWQDMVWNSSHG-SFQUDFHCSA-N	0	2	366.373	2.760	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccco3)C2=O)cc1	ZINC000001181890	132380884	/nfs/dbraw/zinc/38/08/84/132380884.db2.gz	LNIJUPJRTYUVOF-FWPHUCDGSA-N	0	2	352.346	2.901	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O	ZINC000001201336	132380931	/nfs/dbraw/zinc/38/09/31/132380931.db2.gz	WZYIOHZSGJYBRO-KPKJPENVSA-N	0	2	372.764	2.721	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)cc1	ZINC000004852139	506399591	/nfs/dbraw/zinc/39/95/91/506399591.db2.gz	OHTKSWFRKVSYHL-ZROIWOOFSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C)c3)C2=O)cc1	ZINC000002892904	966751508	/nfs/dbraw/zinc/75/15/08/966751508.db2.gz	DOWSAHXRMXVHTO-WJDWOHSUSA-N	0	2	351.362	2.582	50	10		FFCALN
CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1O)Cc1ccccc1Cl	ZINC000009050723	204352834	/nfs/dbraw/zinc/35/28/34/204352834.db2.gz	NOUNDRBLFCWBIE-UHFFFAOYSA-N	0	2	363.801	2.702	50	10		FFCALN
Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc21	ZINC000003011936	206157207	/nfs/dbraw/zinc/15/72/07/206157207.db2.gz	KOLIKVQLPZTLCK-UHFFFAOYSA-N	0	2	363.449	2.805	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1	ZINC000008837680	132260067	/nfs/dbraw/zinc/26/00/67/132260067.db2.gz	UMWKECNWLQGLGP-WQLSENKSSA-N	0	2	373.346	2.536	50	10		FFCALN
COc1cc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1O	ZINC000001067632	506248389	/nfs/dbraw/zinc/24/83/89/506248389.db2.gz	QIOVFDFEGJTFRP-IZZDOVSWSA-N	0	2	362.744	2.655	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000004797333	506395415	/nfs/dbraw/zinc/39/54/15/506395415.db2.gz	PDWYBVFGYQNJCB-WJDWOHSUSA-N	0	2	351.362	2.582	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)cc1	ZINC000013765412	506954684	/nfs/dbraw/zinc/95/46/84/506954684.db2.gz	PFXLUAFUTQTGTN-WJDWOHSUSA-N	0	2	369.352	2.803	50	10		FFCALN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(O)c(O)c1	ZINC000017242514	1022377943	/nfs/dbraw/zinc/37/79/43/1022377943.db2.gz	ISJWGZSOJNKATF-GDNBJRDFSA-N	0	2	374.352	2.917	50	10		FFCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000000723621	506229568	/nfs/dbraw/zinc/22/95/68/506229568.db2.gz	NCZDMWSFPHRCQS-NTUHNPAUSA-N	0	2	370.748	2.735	50	10		FFCALN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000005332900	506437615	/nfs/dbraw/zinc/43/76/15/506437615.db2.gz	VDBQCIYGMFVDSV-ATVHPVEESA-N	0	2	365.389	2.973	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000001225743	536598290	/nfs/dbraw/zinc/59/82/90/536598290.db2.gz	GFJGLMFVQZVQRJ-XNTDXEJSSA-N	0	2	366.373	2.679	50	10		FFCALN
CCn1ncc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc21	ZINC000057996881	205247521	/nfs/dbraw/zinc/24/75/21/205247521.db2.gz	BIOLGOBGUOIELM-UHFFFAOYSA-N	0	2	359.436	2.862	50	10		FFCALN
CCOC(=O)c1c(C)n[nH]c1N=N[C@@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000103668028	222341396	/nfs/dbraw/zinc/34/13/96/222341396.db2.gz	XRKZDEOLFAYVRH-HFGXJBEUSA-N	0	2	354.370	2.770	50	10		FFCALN
COC(=O)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1	ZINC000027527774	507662197	/nfs/dbraw/zinc/66/21/97/507662197.db2.gz	WZHHIFNTYWHAOZ-GDNBJRDFSA-N	0	2	356.765	2.588	50	10		FFCALN
CSc1ccccc1N=Nc1c(=O)[nH][nH]c1C1CCN(C(C)=O)CC1	ZINC000100238917	508239107	/nfs/dbraw/zinc/23/91/07/508239107.db2.gz	BUCGYWVFAPDJSR-RJCBAWPRSA-N	0	2	359.455	2.605	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000005091818	975808434	/nfs/dbraw/zinc/80/84/34/975808434.db2.gz	SEQGWEINWMHTJH-XFFZJAGNSA-N	0	2	370.748	2.735	50	10		FFCALN
CC[C@@H](C)[C@@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000006830055	206204885	/nfs/dbraw/zinc/20/48/85/206204885.db2.gz	UYFNOTJIQGIEIF-PIGZYNQJSA-N	0	2	359.422	2.966	50	10		FFCALN
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O	ZINC000001186163	132380875	/nfs/dbraw/zinc/38/08/75/132380875.db2.gz	DBUUXPJIHDEXEH-QINSGFPZSA-N	0	2	365.389	2.855	50	10		FFCALN
CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1	ZINC000004677152	506387516	/nfs/dbraw/zinc/38/75/16/506387516.db2.gz	SOTODIXMOBWQRC-ATVHPVEESA-N	0	2	364.405	2.594	50	10		FFCALN
Cn1cccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000009041688	506680328	/nfs/dbraw/zinc/68/03/28/506680328.db2.gz	FGEDDUJAJBHVFZ-LCYFTJDESA-N	0	2	374.194	2.658	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1	ZINC000015659270	507054165	/nfs/dbraw/zinc/05/41/65/507054165.db2.gz	ZYSCZVQIXITRLS-YBEGLDIGSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1O	ZINC000015658713	507054528	/nfs/dbraw/zinc/05/45/28/507054528.db2.gz	UPIRBAVLOCIMFU-SDQBBNPISA-N	0	2	362.744	2.655	50	10		FFCALN
CCc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000015722887	1021959261	/nfs/dbraw/zinc/95/92/61/1021959261.db2.gz	YSEZCPMXOQNXAR-ATVHPVEESA-N	0	2	350.374	2.924	50	10		FFCALN
COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)c1	ZINC000000986661	132379422	/nfs/dbraw/zinc/37/94/22/132379422.db2.gz	ATGUXLPBNYPHHP-FMIVXFBMSA-N	0	2	358.375	2.636	50	10		FFCALN
O=S(=O)(Nc1ccc(Br)cc1)c1cccc2nonc21	ZINC000000653179	506226101	/nfs/dbraw/zinc/22/61/01/506226101.db2.gz	ICPRNDCTHGJHOZ-UHFFFAOYSA-N	0	2	354.185	2.786	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O	ZINC000004704553	506389193	/nfs/dbraw/zinc/38/91/93/506389193.db2.gz	CAEPRXUWJYEGMF-OQLLNIDSSA-N	0	2	366.373	2.684	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1	ZINC000015930214	507066189	/nfs/dbraw/zinc/06/61/89/507066189.db2.gz	OITPHZGZDGMBQI-GDNBJRDFSA-N	0	2	351.362	2.588	50	10		FFCALN
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cccc(O)c3)C2=O)c(C)c1	ZINC000016511406	507093790	/nfs/dbraw/zinc/09/37/90/507093790.db2.gz	UQEJDFQRKDCAPA-MHWRWJLKSA-N	0	2	365.389	2.896	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(Cl)c3)C2=O)c1	ZINC000017086497	507117062	/nfs/dbraw/zinc/11/70/62/507117062.db2.gz	JSDXQOLCVUOESK-GDNBJRDFSA-N	0	2	371.780	2.927	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1	ZINC000001192768	536597390	/nfs/dbraw/zinc/59/73/90/536597390.db2.gz	ZYSCZVQIXITRLS-MHWRWJLKSA-N	0	2	366.373	2.679	50	10		FFCALN
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccnc1	ZINC000100423403	209212915	/nfs/dbraw/zinc/21/29/15/209212915.db2.gz	IAJATPKWPZOJBL-PDGQHHTCSA-N	0	2	368.368	2.873	50	10		FFCALN
COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000100423403	209212917	/nfs/dbraw/zinc/21/29/17/209212917.db2.gz	IAJATPKWPZOJBL-PDGQHHTCSA-N	0	2	368.368	2.873	50	10		FFCALN
Cc1cc(O)ccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000006076152	506466341	/nfs/dbraw/zinc/46/63/41/506466341.db2.gz	IQUYTKVMZJHNIH-ZROIWOOFSA-N	0	2	371.780	2.933	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNCCC3=CCCCC3)C2=O)cc1	ZINC000006858096	506511843	/nfs/dbraw/zinc/51/18/43/506511843.db2.gz	FDYKHQANRJACNC-LGMDPLHJSA-N	0	2	353.422	2.942	50	10		FFCALN
COc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O	ZINC000015012304	507011524	/nfs/dbraw/zinc/01/15/24/507011524.db2.gz	DIQTTXAHYVMYBX-GDNBJRDFSA-N	0	2	366.373	2.684	50	10		FFCALN
Cc1cc(O)c(Sc2nc[nH]n2)cc1NS(=O)(=O)c1ccccc1	ZINC000004735821	207042980	/nfs/dbraw/zinc/04/29/80/207042980.db2.gz	SKWYNFBOWUSZCC-UHFFFAOYSA-N	0	2	362.436	2.771	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OC)c1	ZINC000015835768	507062582	/nfs/dbraw/zinc/06/25/82/507062582.db2.gz	CSHOXPAZXUQLHP-LCYFTJDESA-N	0	2	370.336	2.509	50	10		FFCALN
CC(=O)Oc1cccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c1	ZINC000016183067	507077906	/nfs/dbraw/zinc/07/79/06/507077906.db2.gz	KUWGDKJSPHNLQN-ZSOIEALJSA-N	0	2	374.755	2.866	50	10		FFCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000001201238	536184341	/nfs/dbraw/zinc/18/43/41/536184341.db2.gz	XHTYXDUIHCSFBV-XNTDXEJSSA-N	0	2	366.373	2.630	50	10		FFCALN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(C)C)cc2)C1=O	ZINC000002205645	971657563	/nfs/dbraw/zinc/65/75/63/971657563.db2.gz	KZMFPHKKTCYAPY-GHRIWEEISA-N	0	2	363.417	2.981	50	10		FFCALN
O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O	ZINC000001188299	506254874	/nfs/dbraw/zinc/25/48/74/506254874.db2.gz	SASJWEUWYFPTBJ-VZUCSPMQSA-N	0	2	365.172	2.866	50	10		FFCALN
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(O)cc1	ZINC000004819557	506396661	/nfs/dbraw/zinc/39/66/61/506396661.db2.gz	DLYFSGGFGCYNOI-NTEUORMPSA-N	0	2	353.290	2.807	50	10		FFCALN
COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(C)s3)C2=O)c1	ZINC000000986675	132379407	/nfs/dbraw/zinc/37/94/07/132379407.db2.gz	IUMDIRSOTMHWFH-UKTHLTGXSA-N	0	2	372.402	2.740	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1	ZINC000005061678	132826209	/nfs/dbraw/zinc/82/62/09/132826209.db2.gz	LBAFSUHUCQGWCP-PFKGSKDKSA-N	0	2	363.329	2.817	50	10		FFCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000005043636	506417631	/nfs/dbraw/zinc/41/76/31/506417631.db2.gz	OMIIVUNBBSGRFP-XFFZJAGNSA-N	0	2	361.697	2.508	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCc1ccc(F)cc1	ZINC000005649344	506452898	/nfs/dbraw/zinc/45/28/98/506452898.db2.gz	WCMVPOWNLYQKTE-GDNBJRDFSA-N	0	2	373.771	2.736	50	10		FFCALN
Cc1cc([N+](=O)[O-])cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1O	ZINC000012659846	506887731	/nfs/dbraw/zinc/88/77/31/506887731.db2.gz	CTIPGICZGLESJX-WBVHZDCISA-N	0	2	367.361	2.778	50	10	biogenic	FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000001200920	536598074	/nfs/dbraw/zinc/59/80/74/536598074.db2.gz	HZKKVFCRJOHYHF-NTEUORMPSA-N	0	2	370.336	2.509	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000103843409	570852865	/nfs/dbraw/zinc/85/28/65/570852865.db2.gz	CVJWSCIQILGMSP-XNTDXEJSSA-N	0	2	371.780	2.927	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNCCCC(C)C)C2=O)cc1	ZINC000022781384	965581874	/nfs/dbraw/zinc/58/18/74/965581874.db2.gz	ZSYZETVMJHXKEV-VBKFSLOCSA-N	0	2	359.426	2.578	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000005061466	975737976	/nfs/dbraw/zinc/73/79/76/975737976.db2.gz	ZWPSQQHYBPISSV-DHDCSXOGSA-N	0	2	365.345	2.878	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2	ZINC000100437801	132232794	/nfs/dbraw/zinc/23/27/94/132232794.db2.gz	DDFFJWCWYZHPDG-ATVHPVEESA-N	0	2	365.433	2.712	50	10		FFCALN
COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000001192850	132380917	/nfs/dbraw/zinc/38/09/17/132380917.db2.gz	YKWNWIJJWQPWJT-LFIBNONCSA-N	0	2	366.373	2.679	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(F)cc3)C2=O)cc1	ZINC000000723601	506230248	/nfs/dbraw/zinc/23/02/48/506230248.db2.gz	NRXZPOSFQVNJJJ-LFIBNONCSA-N	0	2	354.337	2.891	50	10		FFCALN
Cc1ccc2c(n1)[nH]cc(C(=O)NCc1ccc(N(C)C)c(F)c1)c2=O	ZINC000084205831	571079057	/nfs/dbraw/zinc/07/90/57/571079057.db2.gz	OHCSXEDIHHFFMM-UHFFFAOYSA-N	0	2	354.385	2.779	50	10		FFCALN
COc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1OC	ZINC000002928082	206946669	/nfs/dbraw/zinc/94/66/69/206946669.db2.gz	RAUSPIUJPSYNSG-UHFFFAOYSA-N	0	2	351.409	2.509	50	10		FFCALN
COc1cccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c1O	ZINC000005200442	207086590	/nfs/dbraw/zinc/08/65/90/207086590.db2.gz	SFWPGHBRYNGUQO-XFFZJAGNSA-N	0	2	362.744	2.655	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000001177512	132380622	/nfs/dbraw/zinc/38/06/22/132380622.db2.gz	SEQGWEINWMHTJH-YRNVUSSQSA-N	0	2	370.748	2.735	50	10		FFCALN
COc1ccc(OC)c(N2C(=O)NC(=O)C(=CC=Cc3ccco3)C2=O)c1	ZINC000002277093	132383087	/nfs/dbraw/zinc/38/30/87/132383087.db2.gz	SAXIHYRQBAZXDF-VWQNNZLTSA-N	0	2	368.345	2.519	50	10		FFCALN
COc1cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1O	ZINC000015659772	507053792	/nfs/dbraw/zinc/05/37/92/507053792.db2.gz	QIOVFDFEGJTFRP-WDZFZDKYSA-N	0	2	362.744	2.655	50	10		FFCALN
Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)c(C)c1	ZINC000001228898	1014464586	/nfs/dbraw/zinc/46/45/86/1014464586.db2.gz	JAOYKQFBDIVFPO-MHWRWJLKSA-N	0	2	350.374	2.984	50	10		FFCALN
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)c1O	ZINC000005675346	207112268	/nfs/dbraw/zinc/11/22/68/207112268.db2.gz	MRYIQTOQNAPNFB-QPEQYQDCSA-N	0	2	362.744	2.655	50	10		FFCALN
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000015012316	507011806	/nfs/dbraw/zinc/01/18/06/507011806.db2.gz	ZCEZOKTUDFHIGD-LCYFTJDESA-N	0	2	372.764	2.721	50	10		FFCALN
Cc1ccc(N2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000022108423	507278655	/nfs/dbraw/zinc/27/86/55/507278655.db2.gz	XRODALWPPVLWDX-SDQBBNPISA-N	0	2	373.752	2.724	50	10		FFCALN
Cc1c(C)c2ccc(O)c(C[NH2+][C@@H](Cc3ccccc3)C(=O)[O-])c2oc1=O	ZINC000011866846	207327093	/nfs/dbraw/zinc/32/70/93/207327093.db2.gz	LNQHLDWJEICHGF-KRWDZBQOSA-N	0	2	367.401	2.901	50	10		FFCALN
Cc1cc(OCC(=O)NCc2cc([N+](=O)[O-])ccc2O)ccc1Cl	ZINC000034852258	208111235	/nfs/dbraw/zinc/11/12/35/208111235.db2.gz	WBVFRIPTKYFXNG-UHFFFAOYSA-N	0	2	350.758	2.957	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cn3)C2=O)c1	ZINC000005548085	132257933	/nfs/dbraw/zinc/25/79/33/132257933.db2.gz	DTKWOWMTOHHBIO-UKTHLTGXSA-N	0	2	356.769	2.622	50	10		FFCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(O)c3)C2=O)cc1	ZINC000004704223	506390470	/nfs/dbraw/zinc/39/04/70/506390470.db2.gz	JRKPXKNEDFUKHG-GDNBJRDFSA-N	0	2	366.373	2.630	50	10		FFCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=CNCCc3ccccc3)C2=O)c1	ZINC000006130557	506469260	/nfs/dbraw/zinc/46/92/60/506469260.db2.gz	JFVUUVZGUKGRGJ-AQTBWJFISA-N	0	2	363.417	2.602	50	10		FFCALN
CC1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]n2c1nc1ccccc1c2=O	ZINC000016694259	220191190	/nfs/dbraw/zinc/19/11/90/220191190.db2.gz	ZFERULHDIFDHBI-BOPFTXTBSA-N	0	2	369.384	2.982	50	10		FFCALN
CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccs2)cc1Cl	ZINC000012883772	211002688	/nfs/dbraw/zinc/00/26/88/211002688.db2.gz	BLUOYJRJHACOJQ-UHFFFAOYSA-N	0	2	366.873	2.574	50	10		FFCALN
Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cccc(O)c3)C2=O)c(C)c1	ZINC000100704439	132233018	/nfs/dbraw/zinc/23/30/18/132233018.db2.gz	UQEJDFQRKDCAPA-YBEGLDIGSA-N	0	2	365.389	2.896	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	ZINC000008971442	132260489	/nfs/dbraw/zinc/26/04/89/132260489.db2.gz	RONVJNBVROUIRW-JYRVWZFOSA-N	0	2	354.318	2.613	50	10		FFCALN
CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000000759614	132378425	/nfs/dbraw/zinc/37/84/25/132378425.db2.gz	YSEZCPMXOQNXAR-SFQUDFHCSA-N	0	2	350.374	2.924	50	10		FFCALN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N(C)C)cc1	ZINC000097963965	222217926	/nfs/dbraw/zinc/21/79/26/222217926.db2.gz	DXXXWMPJYWFKLI-BFQBXFRASA-N	0	2	364.409	2.701	50	10		FFCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1	ZINC000004471910	506376566	/nfs/dbraw/zinc/37/65/66/506376566.db2.gz	NCUTXPFCZWXANS-PTNGSMBKSA-N	0	2	369.352	2.685	50	10		FFCALN
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C	ZINC000009167367	506684876	/nfs/dbraw/zinc/68/48/76/506684876.db2.gz	XZQPGSMFRVHRTM-OQLLNIDSSA-N	0	2	357.797	2.962	50	10		FFCALN
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)cc1	ZINC000015837475	507062601	/nfs/dbraw/zinc/06/26/01/507062601.db2.gz	RQKHFVHRKDHADD-RIYZIHGNSA-N	0	2	353.290	2.807	50	10		FFCALN
NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000019832251	507202744	/nfs/dbraw/zinc/20/27/44/507202744.db2.gz	FHNLYRGSQSLTIT-BOPFTXTBSA-N	0	2	365.433	2.580	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2	ZINC000001192388	1014452644	/nfs/dbraw/zinc/45/26/44/1014452644.db2.gz	VUNKTMWRDBYWFB-WUXMJOGZSA-N	0	2	370.748	2.735	50	10		FFCALN
Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1[N+](=O)[O-]	ZINC000002329318	210391417	/nfs/dbraw/zinc/39/14/17/210391417.db2.gz	XTBJXRTUQBUIHB-UHFFFAOYSA-N	0	2	350.381	2.709	50	10		FFCALN
Cc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000001518796	506264868	/nfs/dbraw/zinc/26/48/68/506264868.db2.gz	MRUNGDSDRLASQM-INIZCTEOSA-N	0	2	353.374	2.593	50	10	biogenic	FFCALN
NC=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000084921224	132199576	/nfs/dbraw/zinc/19/95/76/132199576.db2.gz	FHNLYRGSQSLTIT-GZTJUZNOSA-N	0	2	365.433	2.580	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1O	ZINC000001175068	132380721	/nfs/dbraw/zinc/38/07/21/132380721.db2.gz	NWBXAGWOSDDJHD-NTEUORMPSA-N	0	2	366.373	2.684	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O	ZINC000001178381	132380736	/nfs/dbraw/zinc/38/07/36/132380736.db2.gz	IMMACMVFKXSEDE-NTUHNPAUSA-N	0	2	372.764	2.721	50	10		FFCALN
CCOC(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc32)c1	ZINC000003620103	506347992	/nfs/dbraw/zinc/34/79/92/506347992.db2.gz	CUHRPOSVKQWQCL-UHFFFAOYSA-N	0	2	363.420	2.669	50	10		FFCALN
CC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000004852149	506398700	/nfs/dbraw/zinc/39/87/00/506398700.db2.gz	IOLHCKXLDMGPJK-BOPFTXTBSA-N	0	2	363.373	2.776	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2	ZINC000019535437	507177571	/nfs/dbraw/zinc/17/75/71/507177571.db2.gz	DDFFJWCWYZHPDG-SFQUDFHCSA-N	0	2	365.433	2.712	50	10		FFCALN
CC(=O)Nc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F	ZINC000019079339	211202044	/nfs/dbraw/zinc/20/20/44/211202044.db2.gz	CXOUZUFKSIPKDZ-UHFFFAOYSA-N	0	2	366.399	2.590	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cn3)C2=O)c1	ZINC000097402233	132228785	/nfs/dbraw/zinc/22/87/85/132228785.db2.gz	DTKWOWMTOHHBIO-LCYFTJDESA-N	0	2	356.769	2.622	50	10		FFCALN
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	ZINC000002281158	132383121	/nfs/dbraw/zinc/38/31/21/132383121.db2.gz	SDZGFBYJQDRCTJ-SDNWHVSQSA-N	0	2	353.353	2.558	50	10		FFCALN
CC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000002448455	132383549	/nfs/dbraw/zinc/38/35/49/132383549.db2.gz	TWGWKUBZOPVJIY-MHWRWJLKSA-N	0	2	367.336	2.607	50	10		FFCALN
Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3[C@H]2C(=O)[O-])c(C)n1-c1ccccc1	ZINC000096151718	222054125	/nfs/dbraw/zinc/05/41/25/222054125.db2.gz	WUIMCZBQGBVZTC-SFHVURJKSA-N	0	2	364.405	2.641	50	10		FFCALN
CCS(CC)=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000013774014	506955571	/nfs/dbraw/zinc/95/55/71/506955571.db2.gz	QIFOGFJYGQCRFE-UHFFFAOYSA-N	0	2	360.357	2.769	50	10		FFCALN
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC	ZINC000015012442	507011850	/nfs/dbraw/zinc/01/18/50/507011850.db2.gz	FDYOZZGPRUWQHX-PTNGSMBKSA-N	0	2	366.373	2.679	50	10		FFCALN
Cc1ccccc1N1C(=O)NC(=O)C(=CNCCC2=CCCCC2)C1=O	ZINC000100401279	960683715	/nfs/dbraw/zinc/68/37/15/960683715.db2.gz	CCGXORZDFUSPTN-SSZFMOIBSA-N	0	2	353.422	2.942	50	10		FFCALN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2)C1=O	ZINC000005092006	975810292	/nfs/dbraw/zinc/81/02/92/975810292.db2.gz	WVPYNQYATMXCTI-QINSGFPZSA-N	0	2	366.373	2.760	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000009331150	132378490	/nfs/dbraw/zinc/37/84/90/132378490.db2.gz	HZKKVFCRJOHYHF-ZROIWOOFSA-N	0	2	370.336	2.509	50	10		FFCALN
COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000001192774	132380992	/nfs/dbraw/zinc/38/09/92/132380992.db2.gz	CGOHQCSQPUFAJX-LFIBNONCSA-N	0	2	366.373	2.679	50	10		FFCALN
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000001214969	132381161	/nfs/dbraw/zinc/38/11/61/132381161.db2.gz	UDFSBHUETNVHNA-UKTHLTGXSA-N	0	2	359.769	2.665	50	10		FFCALN
COc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(C)c2)C1=O	ZINC000002842364	132384156	/nfs/dbraw/zinc/38/41/56/132384156.db2.gz	OEPRSWKGTWCGAR-KAMYIIQDSA-N	0	2	351.362	2.582	50	10		FFCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000005186502	506426937	/nfs/dbraw/zinc/42/69/37/506426937.db2.gz	WJKCTYOEDICFKV-MHWRWJLKSA-N	0	2	365.345	2.878	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000096564123	508214886	/nfs/dbraw/zinc/21/48/86/508214886.db2.gz	IIWOOCBXTNFPDQ-JYRVWZFOSA-N	0	2	373.752	2.718	50	10		FFCALN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000101350858	570819312	/nfs/dbraw/zinc/81/93/12/570819312.db2.gz	QQJQLBUXMAGVFT-SFQUDFHCSA-N	0	2	365.389	2.973	50	10		FFCALN
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NN(c2ccc(C)cc2)C1=O	ZINC000022023115	960939299	/nfs/dbraw/zinc/93/92/99/960939299.db2.gz	SPLWNIMEJCXKMI-PDGQHHTCSA-N	0	2	374.400	2.656	50	10		FFCALN
COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cc(Cl)c1OC	ZINC000036386858	211666287	/nfs/dbraw/zinc/66/62/87/211666287.db2.gz	LDRCIKHDPVENSX-UHFFFAOYSA-N	0	2	366.757	2.901	50	10		FFCALN
Cc1ccc2oc(C(=O)NCc3cc([N+](=O)[O-])ccc3O)cc(=O)c2c1	ZINC000017906078	211188052	/nfs/dbraw/zinc/18/80/52/211188052.db2.gz	BWIDORAFOGWBID-UHFFFAOYSA-N	0	2	354.318	2.645	50	10		FFCALN
COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccnc1	ZINC000100423392	222243805	/nfs/dbraw/zinc/24/38/05/222243805.db2.gz	LRBYYQDPTPCPMU-AQTBWJFISA-N	0	2	350.378	2.733	50	10		FFCALN
COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000100423392	222243808	/nfs/dbraw/zinc/24/38/08/222243808.db2.gz	LRBYYQDPTPCPMU-AQTBWJFISA-N	0	2	350.378	2.733	50	10		FFCALN
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1	ZINC000004677018	506386389	/nfs/dbraw/zinc/38/63/89/506386389.db2.gz	OXNFKSIUWYIWHU-LDADJPATSA-N	0	2	372.384	2.847	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000006090320	506466566	/nfs/dbraw/zinc/46/65/66/506466566.db2.gz	HFDNBYWASCXSPQ-KAMYIIQDSA-N	0	2	351.362	2.582	50	10		FFCALN
CSc1ncc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cn1	ZINC000015856173	727822056	/nfs/dbraw/zinc/82/20/56/727822056.db2.gz	OJMUOMGNHKZZMQ-XGICHPGQSA-N	0	2	374.809	2.518	50	10		FFCALN
Cc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001518799	210357499	/nfs/dbraw/zinc/35/74/99/210357499.db2.gz	MRUNGDSDRLASQM-MRXNPFEDSA-N	0	2	353.374	2.593	50	10	biogenic	FFCALN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1OC	ZINC000001192550	537078262	/nfs/dbraw/zinc/07/82/62/537078262.db2.gz	SDZCSSXLKZFNCM-SDNWHVSQSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1ccc(NNC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000038179562	136118519	/nfs/dbraw/zinc/11/85/19/136118519.db2.gz	HFYFGGGSFVGHHP-LFIBNONCSA-N	0	2	366.377	2.927	50	10		FFCALN
Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000002288587	132253821	/nfs/dbraw/zinc/25/38/21/132253821.db2.gz	KDINOYRGBGVXNZ-UKTHLTGXSA-N	0	2	363.295	2.710	50	10		FFCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	ZINC000005067352	506419151	/nfs/dbraw/zinc/41/91/51/506419151.db2.gz	JBPOPKNABCCBIB-DHDCSXOGSA-N	0	2	366.373	2.888	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNCc3cccs3)C2=O)c1C	ZINC000005648259	506453146	/nfs/dbraw/zinc/45/31/46/506453146.db2.gz	TWFBSIZFBGEFSA-UVTDQMKNSA-N	0	2	355.419	2.621	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1O	ZINC000015013085	507011415	/nfs/dbraw/zinc/01/14/15/507011415.db2.gz	JTBPWSVDTZTTGL-JYRVWZFOSA-N	0	2	372.764	2.721	50	10		FFCALN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000002854858	535659681	/nfs/dbraw/zinc/65/96/81/535659681.db2.gz	WQIMGUOJOXJDLG-XNTDXEJSSA-N	0	2	366.373	2.766	50	10		FFCALN
CC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000004797340	506395330	/nfs/dbraw/zinc/39/53/30/506395330.db2.gz	FCRRJPDIPGQGBK-BOPFTXTBSA-N	0	2	363.373	2.776	50	10		FFCALN
COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1O	ZINC000036309027	506399821	/nfs/dbraw/zinc/39/98/21/506399821.db2.gz	IDWJUMYILONVHH-LCYFTJDESA-N	0	2	363.395	2.765	50	10		FFCALN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000005610452	506449111	/nfs/dbraw/zinc/44/91/11/506449111.db2.gz	YCXZSSHRDJVAQZ-FOWTUZBSSA-N	0	2	351.362	2.664	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)ccc3O)C2=O)cc1	ZINC000006088238	506466357	/nfs/dbraw/zinc/46/63/57/506466357.db2.gz	HQUWIZPWGHUCIK-LCYFTJDESA-N	0	2	371.780	2.933	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNCCc3ccccc3)C2=O)cc1C	ZINC000006131731	506470076	/nfs/dbraw/zinc/47/00/76/506470076.db2.gz	HIEUQYZNRLSNJE-AQTBWJFISA-N	0	2	363.417	2.602	50	10		FFCALN
CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1C	ZINC000001124806	535963449	/nfs/dbraw/zinc/96/34/49/535963449.db2.gz	OUYLKFKODZVRAW-GXDHUFHOSA-N	0	2	355.369	2.930	50	10		FFCALN
Cc1cc([N+](=O)[O-])cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1O	ZINC000012659851	220017120	/nfs/dbraw/zinc/01/71/20/220017120.db2.gz	CTIPGICZGLESJX-DOTOQJQBSA-N	0	2	367.361	2.778	50	10	biogenic	FFCALN
CC(C)C[C@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000006262879	506472936	/nfs/dbraw/zinc/47/29/36/506472936.db2.gz	PTFLFGVMVRNUKD-INIZCTEOSA-N	0	2	359.422	2.966	50	10	biogenic	FFCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)cc1	ZINC000101350869	570819292	/nfs/dbraw/zinc/81/92/92/570819292.db2.gz	NTDLLYZVILGMDS-NTEUORMPSA-N	0	2	357.753	2.624	50	10		FFCALN
CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1C	ZINC000019079933	220235109	/nfs/dbraw/zinc/23/51/09/220235109.db2.gz	DNAXKXIYMNDHEE-UHFFFAOYSA-N	0	2	362.436	2.759	50	10		FFCALN
COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1O	ZINC000096759407	222128601	/nfs/dbraw/zinc/12/86/01/222128601.db2.gz	IDWJUMYILONVHH-UKTHLTGXSA-N	0	2	363.395	2.765	50	10		FFCALN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1N(C)C	ZINC000097963967	222218098	/nfs/dbraw/zinc/21/80/98/222218098.db2.gz	NLQLEIMLLLXQDK-BFQBXFRASA-N	0	2	364.409	2.701	50	10		FFCALN
CCc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002139622	506272874	/nfs/dbraw/zinc/27/28/74/506272874.db2.gz	KFSANEVZNCAVEL-KRWDZBQOSA-N	0	2	367.401	2.847	50	10	biogenic	FFCALN
COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(C)cc3)C2=O)c1	ZINC000016662483	507101998	/nfs/dbraw/zinc/10/19/98/507101998.db2.gz	AMPITOIJDBGCKE-LFIBNONCSA-N	0	2	351.362	2.582	50	10		FFCALN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1O	ZINC000002218706	535659187	/nfs/dbraw/zinc/65/91/87/535659187.db2.gz	JRWPPLFECHOETB-NTEUORMPSA-N	0	2	370.336	2.596	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000002958287	536597691	/nfs/dbraw/zinc/59/76/91/536597691.db2.gz	ZVPRDFDOMJFREM-GZTJUZNOSA-N	0	2	350.374	2.978	50	10		FFCALN
CC[C@@H](C)[C@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000013540237	220072367	/nfs/dbraw/zinc/07/23/67/220072367.db2.gz	UYFNOTJIQGIEIF-DIFFPNOSSA-N	0	2	359.422	2.966	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1C	ZINC000001208473	132381221	/nfs/dbraw/zinc/38/12/21/132381221.db2.gz	YDRYAQYPPRCDKY-OVCLIPMQSA-N	0	2	364.357	2.699	50	10		FFCALN
COc1ccccc1N=N[C@H]1C(=O)N(c2ccccc2)N=C1NC(C)=O	ZINC000102151769	222291403	/nfs/dbraw/zinc/29/14/03/222291403.db2.gz	BYFVGEUWZYVZGO-FVGNFYTDSA-N	0	2	351.366	2.644	50	10		FFCALN
COc1ccccc1N=Nc1c(NC(C)=O)[nH]n(-c2ccccc2)c1=O	ZINC000102151769	222291405	/nfs/dbraw/zinc/29/14/05/222291405.db2.gz	BYFVGEUWZYVZGO-FVGNFYTDSA-N	0	2	351.366	2.644	50	10		FFCALN
COc1cccc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	ZINC000005648587	506452288	/nfs/dbraw/zinc/45/22/88/506452288.db2.gz	YDQDDZVKJTUGTN-PTNGSMBKSA-N	0	2	351.362	2.582	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000002892701	536655372	/nfs/dbraw/zinc/65/53/72/536655372.db2.gz	CVJWSCIQILGMSP-GDNBJRDFSA-N	0	2	371.780	2.927	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNCCC1=CCCCC1	ZINC000002892929	132384283	/nfs/dbraw/zinc/38/42/83/132384283.db2.gz	HOMBYHPWJGJCTF-WYMLVPIESA-N	0	2	357.385	2.773	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C)cc3)C2=O)cc1	ZINC000017086519	507116279	/nfs/dbraw/zinc/11/62/79/507116279.db2.gz	UZASYOIUSDIHAZ-SFQUDFHCSA-N	0	2	365.389	2.973	50	10		FFCALN
COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	ZINC000001067001	132379804	/nfs/dbraw/zinc/37/98/04/132379804.db2.gz	ILWFAGQJQUWENB-JLHYYAGUSA-N	0	2	370.336	2.509	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)o3)C2=O)cc1C	ZINC000001180252	132380740	/nfs/dbraw/zinc/38/07/40/132380740.db2.gz	KUWABFOPZLEYAW-XNTDXEJSSA-N	0	2	353.378	2.629	50	10		FFCALN
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1	ZINC000002287117	132383118	/nfs/dbraw/zinc/38/31/18/132383118.db2.gz	LFLLHSNVMDWMQV-XYOKQWHBSA-N	0	2	350.252	2.965	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000002280212	132383126	/nfs/dbraw/zinc/38/31/26/132383126.db2.gz	NYOVVPQEUCYLSQ-XYOKQWHBSA-N	0	2	357.278	2.703	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000006924765	506516895	/nfs/dbraw/zinc/51/68/95/506516895.db2.gz	LAMMFZIDWGGCJO-GDNBJRDFSA-N	0	2	371.780	2.927	50	10		FFCALN
O=C([O-])[C@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCC3)c1ccccc1	ZINC000005235523	204198931	/nfs/dbraw/zinc/19/89/31/204198931.db2.gz	DCBNOGJYMXFUPH-GOSISDBHSA-N	0	2	365.385	2.903	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000095471533	132211460	/nfs/dbraw/zinc/21/14/60/132211460.db2.gz	ZCWCORLNUIYLBH-RAXLEYEMSA-N	0	2	371.780	2.927	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1	ZINC000001192411	132252271	/nfs/dbraw/zinc/25/22/71/132252271.db2.gz	FMJDMKLUBPUYDL-NBVRZTHBSA-N	0	2	361.401	2.953	50	10		FFCALN
CC(=O)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000004703328	506389592	/nfs/dbraw/zinc/38/95/92/506389592.db2.gz	JZSOOUGFMUBDME-GZTJUZNOSA-N	0	2	364.357	2.587	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1C	ZINC000008914478	506672718	/nfs/dbraw/zinc/67/27/18/506672718.db2.gz	HJUMUWWZTWNEIF-MDWZMJQESA-N	0	2	355.306	2.675	50	10		FFCALN
CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000013765807	506956078	/nfs/dbraw/zinc/95/60/78/506956078.db2.gz	YLXZWQBMQUKVDJ-WJDWOHSUSA-N	0	2	353.353	2.558	50	10		FFCALN
CC(C)C[C@@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000016032404	507070128	/nfs/dbraw/zinc/07/01/28/507070128.db2.gz	PTFLFGVMVRNUKD-MRXNPFEDSA-N	0	2	359.422	2.966	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000001192771	536598415	/nfs/dbraw/zinc/59/84/15/536598415.db2.gz	JRDXVHFORFPINK-XNTDXEJSSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000101350910	570819282	/nfs/dbraw/zinc/81/92/82/570819282.db2.gz	PDWYBVFGYQNJCB-LFIBNONCSA-N	0	2	351.362	2.582	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1	ZINC000103255492	570847277	/nfs/dbraw/zinc/84/72/77/570847277.db2.gz	OITPHZGZDGMBQI-XNTDXEJSSA-N	0	2	351.362	2.588	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(O)c1	ZINC000103790777	570852843	/nfs/dbraw/zinc/85/28/43/570852843.db2.gz	ZAINIGNXUYCTDY-NTEUORMPSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1cc(C=C2SC(NC3CCCC3)=NC2=O)cc([N+](=O)[O-])c1O	ZINC000208041710	206305652	/nfs/dbraw/zinc/30/56/52/206305652.db2.gz	IAXYWTUWKXULIW-MDWZMJQESA-N	0	2	363.395	2.812	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=CNCCC3=CCCCC3)C2=O)c1	ZINC000100401503	132232692	/nfs/dbraw/zinc/23/26/92/132232692.db2.gz	QNEWKCANABXNFB-LGMDPLHJSA-N	0	2	369.421	2.642	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O	ZINC000001168254	132380731	/nfs/dbraw/zinc/38/07/31/132380731.db2.gz	LYZCMFMJGJQSAS-OQLLNIDSSA-N	0	2	366.373	2.684	50	10		FFCALN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(OC)c2)C1=O	ZINC000004724560	506391137	/nfs/dbraw/zinc/39/11/37/506391137.db2.gz	KGJSIAOJDBAHDX-UVTDQMKNSA-N	0	2	366.373	2.630	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=CC=CNc3ccccc3)C2=O)cc1	ZINC000004834356	506396550	/nfs/dbraw/zinc/39/65/50/506396550.db2.gz	NQZDSRHGZYFTQL-DSIZIARHSA-N	0	2	363.373	2.830	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccc(F)cc3)C2=O)cc1C	ZINC000005647435	506453418	/nfs/dbraw/zinc/45/34/18/506453418.db2.gz	WUOAKEBALBZYHL-BOPFTXTBSA-N	0	2	367.380	2.699	50	10		FFCALN
CN1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)CC1	ZINC000019787331	507200549	/nfs/dbraw/zinc/20/05/49/507200549.db2.gz	VSMLQNUBARVEKK-UHFFFAOYSA-N	0	2	350.418	2.913	50	10	biogenic	FFCALN
C[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)CC1	ZINC000019787331	507200556	/nfs/dbraw/zinc/20/05/56/507200556.db2.gz	VSMLQNUBARVEKK-UHFFFAOYSA-N	0	2	350.418	2.913	50	10	biogenic	FFCALN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N(C)C)cc1	ZINC000097963966	508230794	/nfs/dbraw/zinc/23/07/94/508230794.db2.gz	DXXXWMPJYWFKLI-SIUCFOQUSA-N	0	2	364.409	2.701	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1O	ZINC000104221717	570858409	/nfs/dbraw/zinc/85/84/09/570858409.db2.gz	OYRKJDNVXYIVJV-FMIVXFBMSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1O	ZINC000000986610	132379449	/nfs/dbraw/zinc/37/94/49/132379449.db2.gz	GFJJNSLCJQVABG-DHZHZOJOSA-N	0	2	372.764	2.721	50	10		FFCALN
Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O	ZINC000001134394	132380390	/nfs/dbraw/zinc/38/03/90/132380390.db2.gz	FJGJGBVTTMNJPF-CSKARUKUSA-N	0	2	364.188	2.998	50	10		FFCALN
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(OC)c2)C1=O	ZINC000001175805	132380678	/nfs/dbraw/zinc/38/06/78/132380678.db2.gz	KGJSIAOJDBAHDX-GXDHUFHOSA-N	0	2	366.373	2.630	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNCc1ccccc1F	ZINC000002892660	132384232	/nfs/dbraw/zinc/38/42/32/132384232.db2.gz	DBNTWZZNDOTVNA-BENRWUELSA-N	0	2	373.771	2.736	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(O)c1	ZINC000005447837	506442975	/nfs/dbraw/zinc/44/29/75/506442975.db2.gz	ZAINIGNXUYCTDY-ZROIWOOFSA-N	0	2	357.753	2.624	50	10		FFCALN
COC(=O)c1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1	ZINC000017150088	507116251	/nfs/dbraw/zinc/11/62/51/507116251.db2.gz	GMDFXXMEAPDZAS-JYRVWZFOSA-N	0	2	374.755	2.727	50	10		FFCALN
CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O	ZINC000019788543	507201382	/nfs/dbraw/zinc/20/13/82/507201382.db2.gz	FNWLFFBPRHXVLU-PTNGSMBKSA-N	0	2	366.373	2.766	50	10		FFCALN
COc1ccccc1N=N[C@@H]1C(=O)N(c2ccccc2)N=C1NC(C)=O	ZINC000097963989	508230706	/nfs/dbraw/zinc/23/07/06/508230706.db2.gz	BYFVGEUWZYVZGO-BZROSYFNSA-N	0	2	351.366	2.644	50	10		FFCALN
COc1ccccc1N=Nc1c(NC(C)=O)[nH]n(-c2ccccc2)c1=O	ZINC000097963989	508230709	/nfs/dbraw/zinc/23/07/09/508230709.db2.gz	BYFVGEUWZYVZGO-BZROSYFNSA-N	0	2	351.366	2.644	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000001225777	536596893	/nfs/dbraw/zinc/59/68/93/536596893.db2.gz	VHQBLFDKZDUWNW-GXDHUFHOSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1	ZINC000001857961	132382530	/nfs/dbraw/zinc/38/25/30/132382530.db2.gz	DZJODUKGBWATLJ-XYOKQWHBSA-N	0	2	357.278	2.703	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1O	ZINC000004831993	506397872	/nfs/dbraw/zinc/39/78/72/506397872.db2.gz	OYRKJDNVXYIVJV-XFXZXTDPSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)cc1OC	ZINC000019079139	507153943	/nfs/dbraw/zinc/15/39/43/507153943.db2.gz	VCBSADOGIDDSQY-UHFFFAOYSA-N	0	2	365.436	2.818	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3)C2=O)cc1	ZINC000005953630	976102015	/nfs/dbraw/zinc/10/20/15/976102015.db2.gz	GPANKMZHUNHTJZ-ATVHPVEESA-N	0	2	366.373	2.760	50	10		FFCALN
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2)C1=O	ZINC000001182202	132380901	/nfs/dbraw/zinc/38/09/01/132380901.db2.gz	WVPYNQYATMXCTI-NTCAYCPXSA-N	0	2	366.373	2.760	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3)C2=O)cc1C	ZINC000075278414	136150353	/nfs/dbraw/zinc/15/03/53/136150353.db2.gz	VAYCAMIBKVTXFZ-MHWRWJLKSA-N	0	2	351.362	2.588	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)c1	ZINC000015013033	507012187	/nfs/dbraw/zinc/01/21/87/507012187.db2.gz	DBBKYKMXMJFPCC-BOPFTXTBSA-N	0	2	350.374	2.978	50	10		FFCALN
CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000017058936	507113010	/nfs/dbraw/zinc/11/30/10/507113010.db2.gz	UDFSBHUETNVHNA-LCYFTJDESA-N	0	2	359.769	2.870	50	10		FFCALN
Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1	ZINC000096151717	508208853	/nfs/dbraw/zinc/20/88/53/508208853.db2.gz	WUIMCZBQGBVZTC-GOSISDBHSA-N	0	2	364.405	2.641	50	10		FFCALN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000100524065	508239589	/nfs/dbraw/zinc/23/95/89/508239589.db2.gz	WLJHNHDMNZRFIM-OAHLLOKOSA-N	0	2	350.407	2.546	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNCCC3=CCCCC3)C2=O)c1	ZINC000006886680	977651612	/nfs/dbraw/zinc/65/16/12/977651612.db2.gz	JZYIGBZKKRSIIZ-LGMDPLHJSA-N	0	2	353.422	2.942	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccc(F)cc3)C2=O)cc1C	ZINC000101075856	132233499	/nfs/dbraw/zinc/23/34/99/132233499.db2.gz	WUOAKEBALBZYHL-GZTJUZNOSA-N	0	2	367.380	2.699	50	10		FFCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1	ZINC000001203128	132252392	/nfs/dbraw/zinc/25/23/92/132252392.db2.gz	JBPOPKNABCCBIB-OQLLNIDSSA-N	0	2	366.373	2.888	50	10		FFCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1	ZINC000001180479	132380608	/nfs/dbraw/zinc/38/06/08/132380608.db2.gz	NCUTXPFCZWXANS-RVDMUPIBSA-N	0	2	369.352	2.685	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)o3)C2=O)cc1Cl	ZINC000013553147	506944888	/nfs/dbraw/zinc/94/48/88/506944888.db2.gz	LBYUCIIFFSUIFY-XYOKQWHBSA-N	0	2	360.753	2.916	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1	ZINC000019797740	526140844	/nfs/dbraw/zinc/14/08/44/526140844.db2.gz	PUYXGTCPUGQDOM-SXGWCWSVSA-N	0	2	361.357	2.843	50	10	biogenic	FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)ccc3O)C2=O)cc1	ZINC000102879903	570840988	/nfs/dbraw/zinc/84/09/88/570840988.db2.gz	HQUWIZPWGHUCIK-UKTHLTGXSA-N	0	2	371.780	2.933	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000059475165	221126651	/nfs/dbraw/zinc/12/66/51/221126651.db2.gz	IIWOOCBXTNFPDQ-MDWZMJQESA-N	0	2	373.752	2.718	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3C)C2=O)cc1	ZINC000001208285	132381102	/nfs/dbraw/zinc/38/11/02/132381102.db2.gz	MJPJJCXOVWYSKM-GZTJUZNOSA-N	0	2	366.373	2.679	50	10		FFCALN
CN1CC[NH+](Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCCC4)CC1	ZINC000020134753	507212503	/nfs/dbraw/zinc/21/25/03/507212503.db2.gz	ZAWDSXYOJNYYNH-UHFFFAOYSA-N	0	2	362.857	2.778	50	10		FFCALN
Cc1cc([N+](=O)[O-])cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1O	ZINC000012659850	206294216	/nfs/dbraw/zinc/29/42/16/206294216.db2.gz	CTIPGICZGLESJX-RDJZCZTQSA-N	0	2	367.361	2.778	50	10	biogenic	FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000002892919	132384343	/nfs/dbraw/zinc/38/43/43/132384343.db2.gz	QIJIMNAGHMDXTR-JLHYYAGUSA-N	0	2	371.780	2.927	50	10		FFCALN
CSc1ccccc1N=Nc1c(=O)[nH][nH]c1C1CCN(C(C)=O)CC1	ZINC000100238916	508239088	/nfs/dbraw/zinc/23/90/88/508239088.db2.gz	BUCGYWVFAPDJSR-IGGDJGDASA-N	0	2	359.455	2.605	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000102055745	536655567	/nfs/dbraw/zinc/65/55/67/536655567.db2.gz	DYTGSRRZQLFOAQ-LFIBNONCSA-N	0	2	351.362	2.582	50	10		FFCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(O)c1	ZINC000002837432	727774592	/nfs/dbraw/zinc/77/45/92/727774592.db2.gz	PSYSCVNDSMOHOI-ZROIWOOFSA-N	0	2	357.753	2.624	50	10		FFCALN
CCOC(=O)c1c(C)n[nH]c1N=N[C@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000008426450	207233307	/nfs/dbraw/zinc/23/33/07/207233307.db2.gz	XRKZDEOLFAYVRH-WDWGUKLMSA-N	0	2	354.370	2.770	50	10		FFCALN
CCOC(=O)c1c(C)[nH]nc1N=N[C@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000008426450	207233310	/nfs/dbraw/zinc/23/33/10/207233310.db2.gz	XRKZDEOLFAYVRH-WDWGUKLMSA-N	0	2	354.370	2.770	50	10		FFCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)cc1	ZINC000004797353	132824682	/nfs/dbraw/zinc/82/46/82/132824682.db2.gz	NTDLLYZVILGMDS-ZROIWOOFSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000015218787	507025258	/nfs/dbraw/zinc/02/52/58/507025258.db2.gz	ZSJNXTFBIDGTCO-SDNWHVSQSA-N	0	2	351.362	2.582	50	10		FFCALN
COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	ZINC000015856911	507063142	/nfs/dbraw/zinc/06/31/42/507063142.db2.gz	ILWFAGQJQUWENB-RAXLEYEMSA-N	0	2	370.336	2.509	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C	ZINC000001214325	536596920	/nfs/dbraw/zinc/59/69/20/536596920.db2.gz	MKMDDHUNZXKJQT-LFIBNONCSA-N	0	2	350.374	2.978	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000002843555	536654965	/nfs/dbraw/zinc/65/49/65/536654965.db2.gz	XIHFRXVSFKXMIW-RAXLEYEMSA-N	0	2	371.780	2.927	50	10		FFCALN
CCOc1ccccc1N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O	ZINC000001168234	132252381	/nfs/dbraw/zinc/25/23/81/132252381.db2.gz	KRZIFWYMAKKJLC-WYMAPRSLSA-N	0	2	352.346	2.901	50	10		FFCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000004576824	506383249	/nfs/dbraw/zinc/38/32/49/506383249.db2.gz	NCZDMWSFPHRCQS-QPEQYQDCSA-N	0	2	370.748	2.735	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1	ZINC000004692952	506388912	/nfs/dbraw/zinc/38/89/12/506388912.db2.gz	PZDMJPZVARSEFD-VBKFSLOCSA-N	0	2	366.373	2.760	50	10		FFCALN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O	ZINC000004704548	506389297	/nfs/dbraw/zinc/38/92/97/506389297.db2.gz	DIQTTXAHYVMYBX-XNTDXEJSSA-N	0	2	366.373	2.684	50	10		FFCALN
COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cccn3C)C2=O)c1	ZINC000016974294	507111094	/nfs/dbraw/zinc/11/10/94/507111094.db2.gz	GXRVIJMLWNLCOF-LCYFTJDESA-N	0	2	355.350	2.549	50	10		FFCALN
COc1ccc(N2CCN(Cc3nc(=O)c4sccc4[nH]3)CC2)cc1	ZINC000025515868	507507144	/nfs/dbraw/zinc/50/71/44/507507144.db2.gz	YILGNDNUSIMOOA-UHFFFAOYSA-N	0	2	356.451	2.728	50	10		FFCALN
Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000008914542	207251379	/nfs/dbraw/zinc/25/13/79/207251379.db2.gz	KZHMVFVSNQRAQZ-UHFFFAOYSA-N	0	2	352.394	2.750	50	10		FFCALN
Nc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000002323348	132383166	/nfs/dbraw/zinc/38/31/66/132383166.db2.gz	GNSVHPPEGPGUPU-NTEUORMPSA-N	0	2	356.769	2.501	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000005648590	506453566	/nfs/dbraw/zinc/45/35/66/506453566.db2.gz	TZMOSBJULLISLZ-QBFSEMIESA-N	0	2	351.362	2.582	50	10		FFCALN
CCOC(=O)c1c(C)n[nH]c1N=N[C@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000252637292	509856430	/nfs/dbraw/zinc/85/64/30/509856430.db2.gz	XRKZDEOLFAYVRH-AWEZNQCLSA-N	0	2	354.370	2.770	50	10		FFCALN
CCOC(=O)c1c(C)[nH]nc1N=N[C@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000252637292	509856442	/nfs/dbraw/zinc/85/64/42/509856442.db2.gz	XRKZDEOLFAYVRH-AWEZNQCLSA-N	0	2	354.370	2.770	50	10		FFCALN
COc1ccc(N=N[C@@H]2C(=O)N(c3ccccc3)N=C2NC(C)=O)cc1	ZINC000097964029	209200880	/nfs/dbraw/zinc/20/08/80/209200880.db2.gz	QLPZVLGFZOXYTO-BZROSYFNSA-N	0	2	351.366	2.644	50	10		FFCALN
COc1ccc(N=Nc2c(NC(C)=O)[nH]n(-c3ccccc3)c2=O)cc1	ZINC000097964029	209200883	/nfs/dbraw/zinc/20/08/83/209200883.db2.gz	QLPZVLGFZOXYTO-BZROSYFNSA-N	0	2	351.366	2.644	50	10		FFCALN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2	ZINC000002512856	206920001	/nfs/dbraw/zinc/92/00/01/206920001.db2.gz	UFVSLXWVQOYMNY-UHFFFAOYSA-N	0	2	356.743	2.778	50	10		FFCALN
Nc1[nH]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc2c(c1)OCO2	ZINC000004649603	207034641	/nfs/dbraw/zinc/03/46/41/207034641.db2.gz	OPWYIFHKRZZDOC-QZQOTICOSA-N	0	2	352.354	2.628	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)c1	ZINC000002074869	132382565	/nfs/dbraw/zinc/38/25/65/132382565.db2.gz	FLRGNXMHYGMGRB-MHWRWJLKSA-N	0	2	361.357	2.843	50	10		FFCALN
O=C1Nc2ccccc2/C1=C1\C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000022033288	727836609	/nfs/dbraw/zinc/83/66/09/727836609.db2.gz	GXLPGRODFFIHLP-YPKPFQOOSA-N	0	2	374.183	2.777	50	10		FFCALN
CC(=O)Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1N(C)C	ZINC000097963968	209200316	/nfs/dbraw/zinc/20/03/16/209200316.db2.gz	NLQLEIMLLLXQDK-SIUCFOQUSA-N	0	2	364.409	2.701	50	10		FFCALN
CC[C@H](C)[C@@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000011866850	207328423	/nfs/dbraw/zinc/32/84/23/207328423.db2.gz	UYFNOTJIQGIEIF-APPDUMDISA-N	0	2	359.422	2.966	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C)C2=O)cc1	ZINC000100401283	132232868	/nfs/dbraw/zinc/23/28/68/132232868.db2.gz	FYKILZBPKZOSSY-PTNGSMBKSA-N	0	2	351.362	2.582	50	10		FFCALN
COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	ZINC000001066955	132379859	/nfs/dbraw/zinc/37/98/59/132379859.db2.gz	ZMGYDUYQWSKLHP-RVDMUPIBSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000009044305	506679500	/nfs/dbraw/zinc/67/95/00/506679500.db2.gz	FEJWJIBSRLSJBZ-ZROIWOOFSA-N	0	2	368.345	2.916	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(O)c3)C2=O)cc1	ZINC000096594175	508215427	/nfs/dbraw/zinc/21/54/27/508215427.db2.gz	SNGKOZQJKXQVDL-ZROIWOOFSA-N	0	2	368.345	2.916	50	10		FFCALN
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c[nH]n2c1nc1ccccc1c2=O	ZINC000100946439	508240461	/nfs/dbraw/zinc/24/04/61/508240461.db2.gz	ZFERULHDIFDHBI-GZTJUZNOSA-N	0	2	369.384	2.982	50	10		FFCALN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O	ZINC000001225753	535659408	/nfs/dbraw/zinc/65/94/08/535659408.db2.gz	IXDIMCCXKQJTBD-GXDHUFHOSA-N	0	2	366.373	2.766	50	10		FFCALN
COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)cc2)C1=O	ZINC000100744593	132233133	/nfs/dbraw/zinc/23/31/33/132233133.db2.gz	CAJFPSNYHPIJCW-KAMYIIQDSA-N	0	2	351.362	2.582	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)o1	ZINC000000875989	132252019	/nfs/dbraw/zinc/25/20/19/132252019.db2.gz	ISRLAJVEBDEGBE-ACCUITESSA-N	0	2	369.352	2.685	50	10		FFCALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O	ZINC000001233296	132381339	/nfs/dbraw/zinc/38/13/39/132381339.db2.gz	NKACYUJRPBJWPM-MDWZMJQESA-N	0	2	372.764	2.721	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000002959561	132384423	/nfs/dbraw/zinc/38/44/23/132384423.db2.gz	CPLDTDOMEREJKC-JXMROGBWSA-N	0	2	360.728	2.851	50	10		FFCALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1	ZINC000005034426	536184211	/nfs/dbraw/zinc/18/42/11/536184211.db2.gz	XHTYXDUIHCSFBV-GDNBJRDFSA-N	0	2	366.373	2.630	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3)C2=O)cc1C	ZINC000101123411	570817364	/nfs/dbraw/zinc/81/73/64/570817364.db2.gz	VAYCAMIBKVTXFZ-YBEGLDIGSA-N	0	2	351.362	2.588	50	10		FFCALN
CC1=C(C(=O)Oc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2O)NC(=O)N1	ZINC000022018066	960895506	/nfs/dbraw/zinc/89/55/06/960895506.db2.gz	DXMIOKHPKNUKEP-INIZCTEOSA-N	0	2	369.333	2.534	50	10		FFCALN
O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000001218910	209385613	/nfs/dbraw/zinc/38/56/13/209385613.db2.gz	DANYWFZKJMPHKM-WZUFQYTHSA-N	0	2	360.728	2.669	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	ZINC000100401455	132232748	/nfs/dbraw/zinc/23/27/48/132232748.db2.gz	ZSJNXTFBIDGTCO-KAMYIIQDSA-N	0	2	351.362	2.582	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O	ZINC000008625965	132260009	/nfs/dbraw/zinc/26/00/09/132260009.db2.gz	HFDNBYWASCXSPQ-SDNWHVSQSA-N	0	2	351.362	2.582	50	10		FFCALN
CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21	ZINC000012364774	506855230	/nfs/dbraw/zinc/85/52/30/506855230.db2.gz	UPVIDIQYFZKUNL-BOPFTXTBSA-N	0	2	373.368	2.968	50	10	biogenic	FFCALN
Cc1c(C)c2ccc(O)c(C[NH2+][C@H](Cc3ccccc3)C(=O)[O-])c2oc1=O	ZINC000002115249	209393003	/nfs/dbraw/zinc/39/30/03/209393003.db2.gz	LNQHLDWJEICHGF-QGZVFWFLSA-N	0	2	367.401	2.901	50	10	biogenic	FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000001200607	132380951	/nfs/dbraw/zinc/38/09/51/132380951.db2.gz	YZWWFVUKFLWWDL-DHZHZOJOSA-N	0	2	361.151	2.709	50	10		FFCALN
CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1	ZINC000003620117	506348521	/nfs/dbraw/zinc/34/85/21/506348521.db2.gz	HLJXDBHZGPKDEP-UHFFFAOYSA-N	0	2	363.420	2.669	50	10		FFCALN
Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000004703215	506390549	/nfs/dbraw/zinc/39/05/49/506390549.db2.gz	KWRFGOCWPYFEMH-CXUHLZMHSA-N	0	2	363.348	2.984	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000006858100	506512224	/nfs/dbraw/zinc/51/22/24/506512224.db2.gz	DYTGSRRZQLFOAQ-WJDWOHSUSA-N	0	2	351.362	2.582	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1O	ZINC000008380029	506647320	/nfs/dbraw/zinc/64/73/20/506647320.db2.gz	HWALCFNSDQLWLV-XFXZXTDPSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Cl)C1=O	ZINC000017086494	507116224	/nfs/dbraw/zinc/11/62/24/507116224.db2.gz	DVLWXSZTFFYVKL-KHPPLWFESA-N	0	2	371.780	2.927	50	10		FFCALN
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+]1CCN(C)CC1	ZINC000020266734	507218387	/nfs/dbraw/zinc/21/83/87/507218387.db2.gz	SFHKWMHJVSCOSC-UHFFFAOYSA-N	0	2	350.846	2.852	50	10	aggregator	FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1O	ZINC000001192601	536597621	/nfs/dbraw/zinc/59/76/21/536597621.db2.gz	JTBPWSVDTZTTGL-MDWZMJQESA-N	0	2	372.764	2.721	50	10		FFCALN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1OC	ZINC000001192790	1014452777	/nfs/dbraw/zinc/45/27/77/1014452777.db2.gz	PJBPCDURTPTWLX-RVDMUPIBSA-N	0	2	366.373	2.679	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)cc1	ZINC000004815406	132255237	/nfs/dbraw/zinc/25/52/37/132255237.db2.gz	KNKZYXQKHRQLIK-WQLSENKSSA-N	0	2	357.347	2.631	50	10		FFCALN
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCCC2=O)cc1	ZINC000032820530	506298795	/nfs/dbraw/zinc/29/87/95/506298795.db2.gz	SUXIIABXUNUCFO-UHFFFAOYSA-N	0	2	369.377	2.747	50	10		FFCALN
COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1O	ZINC000004704467	506389901	/nfs/dbraw/zinc/38/99/01/506389901.db2.gz	HQHLNRKLQBYIGE-MDWZMJQESA-N	0	2	372.764	2.721	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC	ZINC000013895819	506958185	/nfs/dbraw/zinc/95/81/85/506958185.db2.gz	PTHKUDUHPWJYGZ-XFXZXTDPSA-N	0	2	370.336	2.509	50	10		FFCALN
O=C1Nc2ccccc2/C1=C1\C(=O)NN(c2cc(Cl)cc(Cl)c2)C1=O	ZINC000001425533	210351875	/nfs/dbraw/zinc/35/18/75/210351875.db2.gz	WJARWJUNNLIDGE-YPKPFQOOSA-N	0	2	374.183	2.777	50	10		FFCALN
COCc1cccc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccc(OC)cc3)CC2)c1	ZINC000095512665	132213236	/nfs/dbraw/zinc/21/32/36/132213236.db2.gz	AQVUBNMRDPCDED-FQEVSTJZSA-N	0	2	370.449	2.790	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNCCC3=CCCCC3)C2=O)cc1	ZINC000100094233	132232364	/nfs/dbraw/zinc/23/23/64/132232364.db2.gz	FDYKHQANRJACNC-GHRIWEEISA-N	0	2	353.422	2.942	50	10		FFCALN
COc1cc(NS(=O)(=O)c2cccc3nsnc32)cc(OC)c1	ZINC000002926021	506302293	/nfs/dbraw/zinc/30/22/93/506302293.db2.gz	KVFARGWFFZTEJG-UHFFFAOYSA-N	0	2	351.409	2.509	50	10		FFCALN
COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000004853848	506399152	/nfs/dbraw/zinc/39/91/52/506399152.db2.gz	CAFKTKVXPDRIMF-LFIBNONCSA-N	0	2	350.374	2.978	50	10		FFCALN
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C	ZINC000014011144	506962723	/nfs/dbraw/zinc/96/27/23/506962723.db2.gz	MKMDDHUNZXKJQT-WJDWOHSUSA-N	0	2	350.374	2.978	50	10		FFCALN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C	ZINC000016977818	507111411	/nfs/dbraw/zinc/11/14/11/507111411.db2.gz	ZGWMEVSYNYDFKQ-VGOFMYFVSA-N	0	2	367.361	2.877	50	10		FFCALN
COc1ccc(N=N[C@H]2C(=O)N(c3ccccc3)N=C2NC(C)=O)cc1	ZINC000102159156	570828067	/nfs/dbraw/zinc/82/80/67/570828067.db2.gz	QLPZVLGFZOXYTO-FVGNFYTDSA-N	0	2	351.366	2.644	50	10		FFCALN
COc1ccc(N=Nc2c(NC(C)=O)[nH]n(-c3ccccc3)c2=O)cc1	ZINC000102159156	570828069	/nfs/dbraw/zinc/82/80/69/570828069.db2.gz	QLPZVLGFZOXYTO-FVGNFYTDSA-N	0	2	351.366	2.644	50	10		FFCALN
Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c(C)c1	ZINC000005091948	975810171	/nfs/dbraw/zinc/81/01/71/975810171.db2.gz	CAYKQGHCIWZHGN-JYRVWZFOSA-N	0	2	369.333	2.779	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc(Cl)ccc3O)C2=O)c1	ZINC000005548078	132828597	/nfs/dbraw/zinc/82/85/97/132828597.db2.gz	BDYIAMSMKIBORA-LCYFTJDESA-N	0	2	371.780	2.933	50	10		FFCALN
COc1ccc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000015659272	132878186	/nfs/dbraw/zinc/87/81/86/132878186.db2.gz	CGOHQCSQPUFAJX-WJDWOHSUSA-N	0	2	366.373	2.679	50	10		FFCALN
O=C([O-])[C@@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCC3)c1ccccc1	ZINC000005235522	506430355	/nfs/dbraw/zinc/43/03/55/506430355.db2.gz	DCBNOGJYMXFUPH-SFHVURJKSA-N	0	2	365.385	2.903	50	10		FFCALN
O=S(=O)(Nc1cccc(Br)c1)c1cccc2nonc21	ZINC000006502385	506486030	/nfs/dbraw/zinc/48/60/30/506486030.db2.gz	DUGXFCHNSKIPBR-UHFFFAOYSA-N	0	2	354.185	2.786	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1nc2ccccc2[nH]1	ZINC000017180779	507118036	/nfs/dbraw/zinc/11/80/36/507118036.db2.gz	FJAOIYWOMQELFE-KTKRTIGZSA-N	0	2	350.309	2.573	50	10		FFCALN
COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(C)cc3)C2=O)c1	ZINC000100401468	132232865	/nfs/dbraw/zinc/23/28/65/132232865.db2.gz	AMPITOIJDBGCKE-WJDWOHSUSA-N	0	2	351.362	2.582	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000001184265	132380818	/nfs/dbraw/zinc/38/08/18/132380818.db2.gz	OSEHRZOLUSOCJW-DTQAZKPQSA-N	0	2	365.389	2.936	50	10		FFCALN
COc1ccc(NS(=O)(=O)c2cccc3nsnc32)c(OC)c1	ZINC000003326349	506322499	/nfs/dbraw/zinc/32/24/99/506322499.db2.gz	QSAWXUGRIGRUGQ-UHFFFAOYSA-N	0	2	351.409	2.509	50	10		FFCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1	ZINC000005066600	506418777	/nfs/dbraw/zinc/41/87/77/506418777.db2.gz	IIGCFMZGXXGFHA-ZROIWOOFSA-N	0	2	369.333	2.978	50	10		FFCALN
Cc1ccc(Cl)c(OCC(=O)NCc2cc([N+](=O)[O-])ccc2O)c1	ZINC000014139011	211077208	/nfs/dbraw/zinc/07/72/08/211077208.db2.gz	NLWHXGSKOBMJJH-UHFFFAOYSA-N	0	2	350.758	2.957	50	10		FFCALN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1	ZINC000001214231	132381128	/nfs/dbraw/zinc/38/11/28/132381128.db2.gz	YSOFHIAMTVMDPW-OVCLIPMQSA-N	0	2	364.357	2.699	50	10		FFCALN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000006600728	506490874	/nfs/dbraw/zinc/49/08/74/506490874.db2.gz	QQJQLBUXMAGVFT-ATVHPVEESA-N	0	2	365.389	2.973	50	10		FFCALN
CC(=O)n1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc21	ZINC000003120977	534960201	/nfs/dbraw/zinc/96/02/01/534960201.db2.gz	UPVIDIQYFZKUNL-GZTJUZNOSA-N	0	2	373.368	2.968	50	10		FFCALN
O=C(NN1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1F	ZINC000005932306	210082994	/nfs/dbraw/zinc/08/29/94/210082994.db2.gz	MZSCESBJSMQING-MDWZMJQESA-N	0	2	359.407	2.767	50	10		FFCALN
O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1cccc2nsnc21	ZINC000019108580	211201520	/nfs/dbraw/zinc/20/15/20/211201520.db2.gz	YHEPNEYQSGQOHL-UHFFFAOYSA-N	0	2	363.420	2.653	50	10		FFCALN
Cc1ccccc1N1C(=O)NC(=O)C(=CNCCSC(C)(C)C)C1=O	ZINC000006208483	132258230	/nfs/dbraw/zinc/25/82/30/132258230.db2.gz	NHSQCXXZYYVYOU-QBFSEMIESA-N	0	2	361.467	2.583	50	10		FFCALN
Cc1nc2ccc(C(=O)NCc3cc([N+](=O)[O-])ccc3O)cc2nc1C	ZINC000032820528	506298814	/nfs/dbraw/zinc/29/88/14/506298814.db2.gz	VGIYQIBFHCOBAJ-UHFFFAOYSA-N	0	2	352.350	2.790	50	10		FFCALN
CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1O	ZINC000032831493	506301817	/nfs/dbraw/zinc/30/18/17/506301817.db2.gz	JIUAJTMUKIGKLK-UHFFFAOYSA-N	0	2	358.778	2.944	50	10		FFCALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1O	ZINC000013661723	506949112	/nfs/dbraw/zinc/94/91/12/506949112.db2.gz	JRWPPLFECHOETB-ZROIWOOFSA-N	0	2	370.336	2.596	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)o1	ZINC000015009139	507011213	/nfs/dbraw/zinc/01/12/13/507011213.db2.gz	YZWWFVUKFLWWDL-FLIBITNWSA-N	0	2	361.151	2.709	50	10		FFCALN
CC1=C(C(=O)Oc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2O)NC(=O)N1	ZINC000022018063	960895283	/nfs/dbraw/zinc/89/52/83/960895283.db2.gz	DXMIOKHPKNUKEP-MRXNPFEDSA-N	0	2	369.333	2.534	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1	ZINC000000831351	1014211906	/nfs/dbraw/zinc/21/19/06/1014211906.db2.gz	PZDMJPZVARSEFD-FOWTUZBSSA-N	0	2	366.373	2.760	50	10		FFCALN
COc1ccccc1NNC=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000097402230	132228655	/nfs/dbraw/zinc/22/86/55/132228655.db2.gz	AUXLNEUTSDRJER-ACCUITESSA-N	0	2	352.350	2.619	50	10		FFCALN
CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1C	ZINC000004679608	506387959	/nfs/dbraw/zinc/38/79/59/506387959.db2.gz	NMBQDSBOJOMUQE-CXUHLZMHSA-N	0	2	355.369	2.930	50	10		FFCALN
Cc1cc(OC(F)F)ccc1NS(=O)(=O)c1cccc2nonc21	ZINC000006502350	506486149	/nfs/dbraw/zinc/48/61/49/506486149.db2.gz	ANWKNJQHMBQSSB-UHFFFAOYSA-N	0	2	355.322	2.933	50	10		FFCALN
CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000096011295	508202533	/nfs/dbraw/zinc/20/25/33/508202533.db2.gz	HLPYCTRROWIIEZ-UHFFFAOYSA-N	0	2	364.379	2.940	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1O	ZINC000103807491	570852565	/nfs/dbraw/zinc/85/25/65/570852565.db2.gz	HWALCFNSDQLWLV-FMIVXFBMSA-N	0	2	357.753	2.624	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000100401599	132232635	/nfs/dbraw/zinc/23/26/35/132232635.db2.gz	QIJIMNAGHMDXTR-RAXLEYEMSA-N	0	2	371.780	2.927	50	10		FFCALN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000004704566	506390524	/nfs/dbraw/zinc/39/05/24/506390524.db2.gz	ZCEZOKTUDFHIGD-UKTHLTGXSA-N	0	2	372.764	2.721	50	10		FFCALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)cc1	ZINC000101350851	570819269	/nfs/dbraw/zinc/81/92/69/570819269.db2.gz	OHTKSWFRKVSYHL-NTEUORMPSA-N	0	2	357.753	2.624	50	10		FFCALN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000001196283	219387765	/nfs/dbraw/zinc/38/77/65/219387765.db2.gz	WLJHNHDMNZRFIM-HNNXBMFYSA-N	0	2	350.407	2.546	50	10		FFCALN
COCc1cccc([C@H](C(=O)[O-])[NH+]2CCN(c3ccc(OC)cc3)CC2)c1	ZINC000095512666	132213179	/nfs/dbraw/zinc/21/31/79/132213179.db2.gz	AQVUBNMRDPCDED-HXUWFJFHSA-N	0	2	370.449	2.790	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1	ZINC000001170519	132380681	/nfs/dbraw/zinc/38/06/81/132380681.db2.gz	CEOMZUDEQWDHMB-MDWZMJQESA-N	0	2	372.764	2.721	50	10		FFCALN
COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1O	ZINC000038185325	136118570	/nfs/dbraw/zinc/11/85/70/136118570.db2.gz	IMZONXHDVIBVQP-JYRVWZFOSA-N	0	2	354.318	2.613	50	10		FFCALN
Cc1cc(O)ccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000101350751	570819348	/nfs/dbraw/zinc/81/93/48/570819348.db2.gz	IQUYTKVMZJHNIH-NTEUORMPSA-N	0	2	371.780	2.933	50	10		FFCALN
CCOc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	ZINC000100544937	132232756	/nfs/dbraw/zinc/23/27/56/132232756.db2.gz	YCXZSSHRDJVAQZ-VBKFSLOCSA-N	0	2	351.362	2.664	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1	ZINC000001185881	132380790	/nfs/dbraw/zinc/38/07/90/132380790.db2.gz	PZDASWKDRUARGT-FOWTUZBSSA-N	0	2	365.389	2.855	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)o3)C2=O)cc1Cl	ZINC000002219806	132382839	/nfs/dbraw/zinc/38/28/39/132382839.db2.gz	LBYUCIIFFSUIFY-WQLSENKSSA-N	0	2	360.753	2.916	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3)C2=O)cc1	ZINC000005578694	506449960	/nfs/dbraw/zinc/44/99/60/506449960.db2.gz	FTYCNPJDMXKMIV-GDNBJRDFSA-N	0	2	371.780	2.927	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1c[nH]nc1-c1ccccc1	ZINC000018212819	507144142	/nfs/dbraw/zinc/14/41/42/507144142.db2.gz	YSSTXNAOMMMIKU-WJDWOHSUSA-N	0	2	358.357	2.948	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000100293367	570552289	/nfs/dbraw/zinc/55/22/89/570552289.db2.gz	XIHFRXVSFKXMIW-JLHYYAGUSA-N	0	2	371.780	2.927	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cn3)C2=O)cc1	ZINC000101124436	570817353	/nfs/dbraw/zinc/81/73/53/570817353.db2.gz	LPQUTPZXZRXJJM-LCYFTJDESA-N	0	2	356.769	2.622	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1	ZINC000004696522	132255200	/nfs/dbraw/zinc/25/52/00/132255200.db2.gz	LKHWQDMVWNSSHG-ATVHPVEESA-N	0	2	366.373	2.760	50	10		FFCALN
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000001181852	132380855	/nfs/dbraw/zinc/38/08/55/132380855.db2.gz	XTIAERWYDGPRBL-WUXMJOGZSA-N	0	2	360.728	2.851	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C)cc3)C2=O)cc1	ZINC000002892900	132384267	/nfs/dbraw/zinc/38/42/67/132384267.db2.gz	ZSQCCZNSMIPDSV-WJDWOHSUSA-N	0	2	351.362	2.582	50	10		FFCALN
CC[C@H](C)[C@H]([NH2+]Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-]	ZINC000002326903	506277589	/nfs/dbraw/zinc/27/75/89/506277589.db2.gz	UYFNOTJIQGIEIF-GTNSWQLSSA-N	0	2	359.422	2.966	50	10		FFCALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1Cl	ZINC000004600005	506384973	/nfs/dbraw/zinc/38/49/73/506384973.db2.gz	WOZKXQDCDJLAJK-JYRVWZFOSA-N	0	2	372.764	2.721	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000002892865	536655090	/nfs/dbraw/zinc/65/50/90/536655090.db2.gz	YTOJHJNIIQVFNF-RAXLEYEMSA-N	0	2	371.780	2.927	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1	ZINC000005589716	132258296	/nfs/dbraw/zinc/25/82/96/132258296.db2.gz	FMJDMKLUBPUYDL-JXAWBTAJSA-N	0	2	361.401	2.953	50	10		FFCALN
COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O	ZINC000002892774	132384361	/nfs/dbraw/zinc/38/43/61/132384361.db2.gz	LLEHGSGGLAFTIH-KHPPLWFESA-N	0	2	371.780	2.927	50	10		FFCALN
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000004711764	506390119	/nfs/dbraw/zinc/39/01/19/506390119.db2.gz	PVERYIUEGAZWGH-SFQUDFHCSA-N	0	2	358.357	2.539	50	10		FFCALN
COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)cc2)C1=O	ZINC000015800118	507061089	/nfs/dbraw/zinc/06/10/89/507061089.db2.gz	CAJFPSNYHPIJCW-SDNWHVSQSA-N	0	2	351.362	2.582	50	10		FFCALN
CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cn1	ZINC000015856259	727822026	/nfs/dbraw/zinc/82/20/26/727822026.db2.gz	AFDIDPRWCGUIPX-POHAHGRESA-N	0	2	374.809	2.518	50	10		FFCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)cc1	ZINC000100241408	132232469	/nfs/dbraw/zinc/23/24/69/132232469.db2.gz	PFXLUAFUTQTGTN-LFIBNONCSA-N	0	2	369.352	2.803	50	10		FFCALN
Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000001202522	132381042	/nfs/dbraw/zinc/38/10/42/132381042.db2.gz	YWJIBBRQRVBONR-ZROIWOOFSA-N	0	2	351.318	2.570	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3C)C2=O)c1	ZINC000004797337	132824716	/nfs/dbraw/zinc/82/47/16/132824716.db2.gz	JKDCVKBAIRTHIO-GDNBJRDFSA-N	0	2	351.362	2.588	50	10		FFCALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1	ZINC000004704215	506390519	/nfs/dbraw/zinc/39/05/19/506390519.db2.gz	PZDASWKDRUARGT-VBKFSLOCSA-N	0	2	365.389	2.855	50	10		FFCALN
CCOC(=O)c1c(C)n[nH]c1N=N[C@@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000252637293	509856811	/nfs/dbraw/zinc/85/68/11/509856811.db2.gz	XRKZDEOLFAYVRH-CQSZACIVSA-N	0	2	354.370	2.770	50	10		FFCALN
CCOC(=O)c1c(C)[nH]nc1N=N[C@@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000252637293	509856820	/nfs/dbraw/zinc/85/68/20/509856820.db2.gz	XRKZDEOLFAYVRH-CQSZACIVSA-N	0	2	354.370	2.770	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]	ZINC000000820705	219326978	/nfs/dbraw/zinc/32/69/78/219326978.db2.gz	IFWWMEKPFDEKSI-NTUHNPAUSA-N	0	2	373.752	2.718	50	10		FFCALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1	ZINC000009301922	132378931	/nfs/dbraw/zinc/37/89/31/132378931.db2.gz	XKIBKZPVRBDVRU-WQLSENKSSA-N	0	2	357.347	2.836	50	10		FFCALN
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1	ZINC000001213597	132381130	/nfs/dbraw/zinc/38/11/30/132381130.db2.gz	OQRPRZOTIDEORQ-GZTJUZNOSA-N	0	2	350.374	2.978	50	10		FFCALN
CCc1cc(=O)oc2c1ccc(O)c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000002139623	506272307	/nfs/dbraw/zinc/27/23/07/506272307.db2.gz	KFSANEVZNCAVEL-QGZVFWFLSA-N	0	2	367.401	2.847	50	10	biogenic	FFCALN
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccco1	ZINC000005067778	506419254	/nfs/dbraw/zinc/41/92/54/506419254.db2.gz	RNUHOCBGZSFLBT-XYOKQWHBSA-N	0	2	361.151	2.709	50	10		FFCALN
COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000101350854	570819237	/nfs/dbraw/zinc/81/92/37/570819237.db2.gz	LAMMFZIDWGGCJO-XNTDXEJSSA-N	0	2	371.780	2.927	50	10		FFCALN
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1	ZINC000001202527	219388621	/nfs/dbraw/zinc/38/86/21/219388621.db2.gz	GLBSNSXUBOLWKW-XYOKQWHBSA-N	0	2	359.179	2.616	50	10		FFCALN
Cc1cc([N+](=O)[O-])cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1O	ZINC000012659848	220017080	/nfs/dbraw/zinc/01/70/80/220017080.db2.gz	CTIPGICZGLESJX-NVXWUHKLSA-N	0	2	367.361	2.778	50	10	biogenic	FFCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000001185900	132380826	/nfs/dbraw/zinc/38/08/26/132380826.db2.gz	HNIAQKUEHGCOQI-KPKJPENVSA-N	0	2	360.728	2.851	50	10		FFCALN
Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000002286259	132383089	/nfs/dbraw/zinc/38/30/89/132383089.db2.gz	OPPKIZVINNCWDV-MHWRWJLKSA-N	0	2	363.348	2.984	50	10		FFCALN
O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCC2)o1	ZINC000008742632	506666169	/nfs/dbraw/zinc/66/61/69/506666169.db2.gz	ISRLAJVEBDEGBE-QBFSEMIESA-N	0	2	369.352	2.890	50	10		FFCALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1	ZINC000017180680	507119203	/nfs/dbraw/zinc/11/92/03/507119203.db2.gz	MZQSXSFEKSRJMA-XFXZXTDPSA-N	0	2	350.309	2.573	50	10		FFCALN
O=C(Nc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1)C1CC1	ZINC000028251214	507716410	/nfs/dbraw/zinc/71/64/10/507716410.db2.gz	NAWHCXVIFDMPFA-UHFFFAOYSA-N	0	2	374.447	2.841	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1	ZINC000001192843	536598328	/nfs/dbraw/zinc/59/83/28/536598328.db2.gz	CDKIJAOFMYLMFX-MHWRWJLKSA-N	0	2	366.373	2.679	50	10		FFCALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)c1	ZINC000000843343	536598386	/nfs/dbraw/zinc/59/83/86/536598386.db2.gz	DBBKYKMXMJFPCC-GZTJUZNOSA-N	0	2	350.374	2.978	50	10		FFCALN