smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O	ZINC000095201981	522952934	/nfs/dbraw/zinc/95/29/34/522952934.db2.gz	LBGPMELXIHTQET-IBGZPJMESA-N	0	1	443.456	2.136	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(C)c1	ZINC000102516328	523373002	/nfs/dbraw/zinc/37/30/02/523373002.db2.gz	MRJQOCWLROBFSI-JBCNATCCSA-N	0	1	437.496	2.153	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1	ZINC000013689307	526485273	/nfs/dbraw/zinc/48/52/73/526485273.db2.gz	NEBZNEPCOQMQSW-IBGZPJMESA-N	0	1	428.464	2.076	50	30		IEEAMN
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2c2cccs2)CC1	ZINC000012682019	526748849	/nfs/dbraw/zinc/74/88/49/526748849.db2.gz	NEUYQHWBXLJJAY-GOSISDBHSA-N	0	1	444.582	2.290	50	30		IEEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)ccc2O1	ZINC000000703250	555543548	/nfs/dbraw/zinc/54/35/48/555543548.db2.gz	LDRDJMWJCWWXIL-KSFYIVLOSA-N	0	1	449.507	2.316	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c(C)c1	ZINC000017044547	556654097	/nfs/dbraw/zinc/65/40/97/556654097.db2.gz	WAVWFXGFQUQDKZ-OAQYLSRUSA-N	0	1	437.496	2.309	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1C	ZINC000017179823	556671793	/nfs/dbraw/zinc/67/17/93/556671793.db2.gz	MAOCKPJMWIKIDB-OAQYLSRUSA-N	0	1	437.496	2.309	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c(C)c1	ZINC000102516320	557350581	/nfs/dbraw/zinc/35/05/81/557350581.db2.gz	MRJQOCWLROBFSI-MRJHHRETSA-N	0	1	437.496	2.153	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1cccnc1	ZINC000102700666	557365378	/nfs/dbraw/zinc/36/53/78/557365378.db2.gz	ZJQUMZQFHQLJBN-ACOYQDLFSA-N	0	1	432.885	2.344	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000102736498	557375631	/nfs/dbraw/zinc/37/56/31/557375631.db2.gz	UWCFIGCVNQJRRU-LFVOPCPISA-N	0	1	444.919	2.434	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102741021	557375908	/nfs/dbraw/zinc/37/59/08/557375908.db2.gz	LXTLCSAGVIJNRW-LFVOPCPISA-N	0	1	428.489	2.027	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c(C)c1	ZINC000102898994	557411453	/nfs/dbraw/zinc/41/14/53/557411453.db2.gz	BRLFIYYZQUXWEU-MRJHHRETSA-N	0	1	437.496	2.153	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1C	ZINC000102929920	557413707	/nfs/dbraw/zinc/41/37/07/557413707.db2.gz	HGZTWEKBLIAURB-BDBAMQCISA-N	0	1	429.473	2.385	50	30		IEEAMN
C#CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000103013862	557416366	/nfs/dbraw/zinc/41/63/66/557416366.db2.gz	NIBUEQGREKBPNM-JKPKGCNWSA-N	0	1	445.544	2.392	50	30		IEEAMN
CN(CCC#N)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1	ZINC000006296593	562946632	/nfs/dbraw/zinc/94/66/32/562946632.db2.gz	DIJINQOLOLKGCJ-UHFFFAOYSA-N	0	1	438.509	2.035	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](CO)C(C)C)C1=O)O2	ZINC000263585431	568759049	/nfs/dbraw/zinc/75/90/49/568759049.db2.gz	ILOJMKHVPUDCJW-IOHINAGISA-N	0	1	429.469	2.175	50	30	biogenic	IEEAMN
CO[N-][N+](=O)CC(=O)Nc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000334157669	568762168	/nfs/dbraw/zinc/76/21/68/568762168.db2.gz	FYMKZOZREPTJNR-UHFFFAOYSA-O	0	1	433.388	2.290	50	30		IEEAMN
N#CCCNN=Cc1cc(I)c(O)c(I)c1	ZINC000252680088	569210676	/nfs/dbraw/zinc/21/06/76/569210676.db2.gz	VRDWEYRBEWIWGM-UHFFFAOYSA-N	0	1	441.010	2.439	50	30		IEEAMN
CN1CCN(C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2ccccc2)CC1	ZINC000095455040	569368561	/nfs/dbraw/zinc/36/85/61/569368561.db2.gz	QFCADELXHHLMNN-FQEVSTJZSA-N	0	1	425.920	2.255	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(F)c1	ZINC000009463286	569537428	/nfs/dbraw/zinc/53/74/28/569537428.db2.gz	PGNKIBXQLKYJQQ-GOSISDBHSA-N	0	1	430.388	2.321	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1C	ZINC000013127327	524021572	/nfs/dbraw/zinc/02/15/72/524021572.db2.gz	NAYPBJDDECDHGK-SFHVURJKSA-N	0	1	429.473	2.459	50	30		IEEAMN
C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1	ZINC000034677597	555796027	/nfs/dbraw/zinc/79/60/27/555796027.db2.gz	HTSHQTVAOBHCLR-FQEVSTJZSA-N	0	1	442.560	2.100	50	30		IEEAMN
Cn1c2nc(NN=Cc3ccccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000005356794	556047641	/nfs/dbraw/zinc/04/76/41/556047641.db2.gz	LIRYOLRRNLXLCE-KSEXSDGBSA-N	0	1	438.875	2.287	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000008737839	556204809	/nfs/dbraw/zinc/20/48/09/556204809.db2.gz	VEDPXVPGSCTSMK-JBCNATCCSA-N	0	1	438.480	2.450	50	30		IEEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c1	ZINC000008951785	556235683	/nfs/dbraw/zinc/23/56/83/556235683.db2.gz	BXSCJJLPKQAJJD-NRFANRHFSA-N	0	1	437.496	2.391	50	30		IEEAMN
COC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000015307316	556518211	/nfs/dbraw/zinc/51/82/11/556518211.db2.gz	JMRBPNZWIRCEAP-HOCLYGCPSA-N	0	1	426.491	2.292	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000013725050	556719405	/nfs/dbraw/zinc/71/94/05/556719405.db2.gz	GYLALTIDJHDTON-HXUWFJFHSA-N	0	1	442.516	2.194	50	30		IEEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000101288138	557268359	/nfs/dbraw/zinc/26/83/59/557268359.db2.gz	LZATXVLIHHAUMT-HOGKFDNTSA-N	0	1	449.507	2.400	50	30		IEEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000101288132	557268377	/nfs/dbraw/zinc/26/83/77/557268377.db2.gz	LZATXVLIHHAUMT-MOBKVPTQSA-N	0	1	449.507	2.400	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1cccnc1	ZINC000102691371	557364351	/nfs/dbraw/zinc/36/43/51/557364351.db2.gz	ZJQUMZQFHQLJBN-SZSNZJKVSA-N	0	1	432.885	2.344	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102706845	557366749	/nfs/dbraw/zinc/36/67/49/557366749.db2.gz	OFPOLQKZYPIAOS-LFVOPCPISA-N	0	1	443.452	2.135	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102744286	557377037	/nfs/dbraw/zinc/37/70/37/557377037.db2.gz	SNRROIZPINBLII-SELCWUDQSA-N	0	1	428.489	2.027	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1	ZINC000102739831	557380509	/nfs/dbraw/zinc/38/05/09/557380509.db2.gz	WVNJQHOFJVFLTN-WOOAAIBNSA-N	0	1	444.919	2.434	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C	ZINC000004039384	562941315	/nfs/dbraw/zinc/94/13/15/562941315.db2.gz	WWGCOWUUSPGSLG-IBGZPJMESA-N	0	1	440.500	2.343	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1	ZINC000009457351	568883413	/nfs/dbraw/zinc/88/34/13/568883413.db2.gz	STDGQJIWIRGLTM-IBGZPJMESA-N	0	1	442.424	2.191	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CC[C@H](O)CC3)C1=O)O2	ZINC000263584940	568904147	/nfs/dbraw/zinc/90/41/47/568904147.db2.gz	CGQSGZRONCWFIQ-IDYKKQPVSA-N	0	1	441.480	2.462	50	30	biogenic	IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3cnn(C)c3)C1=O)O2	ZINC000253395599	569264547	/nfs/dbraw/zinc/26/45/47/569264547.db2.gz	AMLWFCFREPJGOD-LJJIPZOBSA-N	0	1	437.452	2.092	50	30	biogenic	IEEAMN
COc1ccc(C(=N)NOC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1	ZINC000252509299	569288194	/nfs/dbraw/zinc/28/81/94/569288194.db2.gz	YKDKKPMIJPFANT-KRWDZBQOSA-N	0	1	427.482	2.277	50	30		IEEAMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000013040819	569307571	/nfs/dbraw/zinc/30/75/71/569307571.db2.gz	BVOQUVYDXIHKDO-UHFFFAOYSA-N	0	1	442.541	2.290	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009375030	569527161	/nfs/dbraw/zinc/52/71/61/569527161.db2.gz	JTXUFUZEQUDQGB-IBGZPJMESA-N	0	1	442.424	2.191	50	30		IEEAMN
C=CCN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C1=O	ZINC000009446545	569535974	/nfs/dbraw/zinc/53/59/74/569535974.db2.gz	KRSGXIFCLIMEBA-IMGOXIFKSA-N	0	1	432.436	2.390	50	30		IEEAMN
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CCN(c4ccccn4)CC3)c2c1C#N	ZINC000009410364	132315983	/nfs/dbraw/zinc/31/59/83/132315983.db2.gz	JFEKLNOZSBJUIG-IBGZPJMESA-N	0	1	442.523	2.012	50	30		IEEAMN
C=CCN1CCN(CC2=NC(=O)N[C@H](c3ccc(OCC)cc3)C2C(=O)OCC)CC1	ZINC000067287720	518865856	/nfs/dbraw/zinc/86/58/56/518865856.db2.gz	FWJKOHWJTUSYMW-OAQYLSRUSA-N	0	1	428.533	2.060	50	30		IEEAMN
C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	ZINC000012363672	519192926	/nfs/dbraw/zinc/19/29/26/519192926.db2.gz	XFJQJRDOGGASIG-UHFFFAOYSA-N	0	1	443.617	2.217	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000013689955	526484995	/nfs/dbraw/zinc/48/49/95/526484995.db2.gz	OMRXWXKOQHUXRR-LJQANCHMSA-N	0	1	428.464	2.076	50	30		IEEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1	ZINC000012323995	527607562	/nfs/dbraw/zinc/60/75/62/527607562.db2.gz	YTODGMHFQPTCQR-FQEVSTJZSA-N	0	1	442.491	2.087	50	30		IEEAMN
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)C2=O	ZINC000072291462	556487370	/nfs/dbraw/zinc/48/73/70/556487370.db2.gz	LKBHRTHVWZRDRO-UHFFFAOYSA-N	0	1	437.544	2.093	50	30		IEEAMN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1	ZINC000017251522	556674208	/nfs/dbraw/zinc/67/42/08/556674208.db2.gz	CEMKKXYPSZJDSX-IBGZPJMESA-N	0	1	444.509	2.162	50	30		IEEAMN
CN(C)c1ccc(C=[NH+]NC(=N)S[C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000102128613	557313169	/nfs/dbraw/zinc/31/31/69/557313169.db2.gz	KXMOXSOZVRRMQX-UXHMZNKVSA-N	0	1	439.497	2.374	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1	ZINC000102483068	557330586	/nfs/dbraw/zinc/33/05/86/557330586.db2.gz	BPHSBXKFVTWSRF-LFVOPCPISA-N	0	1	427.888	2.489	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(F)cc1	ZINC000102550454	557358068	/nfs/dbraw/zinc/35/80/68/557358068.db2.gz	KSSLBOCODHHZDI-GHNGSUTGSA-N	0	1	430.388	2.165	50	30		IEEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1	ZINC000102691580	557364259	/nfs/dbraw/zinc/36/42/59/557364259.db2.gz	QNVCIOGWBCBELW-JBCNATCCSA-N	0	1	437.496	2.234	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccncc1	ZINC000102709593	557367618	/nfs/dbraw/zinc/36/76/18/557367618.db2.gz	ULXRTPPRKWAGNZ-SZSNZJKVSA-N	0	1	432.885	2.344	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000102736497	557375705	/nfs/dbraw/zinc/37/57/05/557375705.db2.gz	UWCFIGCVNQJRRU-WOOAAIBNSA-N	0	1	444.919	2.434	50	30		IEEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102741221	557375854	/nfs/dbraw/zinc/37/58/54/557375854.db2.gz	JVJIUFKPEUHREJ-YDJIHCHBSA-N	0	1	440.500	2.094	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102746410	557378553	/nfs/dbraw/zinc/37/85/53/557378553.db2.gz	HBZIAYRICOFCSG-NHFXJNLRSA-N	0	1	440.500	2.094	50	30		IEEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102751796	557383156	/nfs/dbraw/zinc/38/31/56/557383156.db2.gz	FJDLDDGPYCZDBQ-NHFXJNLRSA-N	0	1	442.516	2.037	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1C	ZINC000102857631	557399144	/nfs/dbraw/zinc/39/91/44/557399144.db2.gz	NDJKSXUAQBCRIF-JBCNATCCSA-N	0	1	437.496	2.153	50	30		IEEAMN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1	ZINC000102893861	557405817	/nfs/dbraw/zinc/40/58/17/557405817.db2.gz	HJVPSICUSZKHHW-WOOAAIBNSA-N	0	1	444.509	2.005	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1	ZINC000102891374	557405875	/nfs/dbraw/zinc/40/58/75/557405875.db2.gz	WTNSIKILKBJQKG-LFVOPCPISA-N	0	1	442.424	2.034	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102886015	557409421	/nfs/dbraw/zinc/40/94/21/557409421.db2.gz	BQDMFRTUBXPGJS-WOOAAIBNSA-N	0	1	442.424	2.034	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c(C)c1	ZINC000102898997	557411464	/nfs/dbraw/zinc/41/14/64/557411464.db2.gz	BRLFIYYZQUXWEU-JBCNATCCSA-N	0	1	437.496	2.153	50	30		IEEAMN
COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1	ZINC000009244949	568879516	/nfs/dbraw/zinc/87/95/16/568879516.db2.gz	UZQXPMJVDQXMCK-GIYGXLGSSA-N	0	1	427.482	2.398	50	30		IEEAMN
COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1	ZINC000009244949	568879519	/nfs/dbraw/zinc/87/95/19/568879519.db2.gz	UZQXPMJVDQXMCK-GIYGXLGSSA-N	0	1	427.482	2.398	50	30		IEEAMN
CN(C)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000252630523	569204038	/nfs/dbraw/zinc/20/40/38/569204038.db2.gz	VBJPZHQSZMIYPU-UHFFFAOYSA-N	0	1	446.533	2.043	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCn3cccn3)C1=O)O2	ZINC000253413520	569265972	/nfs/dbraw/zinc/26/59/72/569265972.db2.gz	UZPBFEQLSCIAHU-DTPJYZGHSA-N	0	1	437.452	2.055	50	30	biogenic	IEEAMN
CCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C	ZINC000254491517	569377328	/nfs/dbraw/zinc/37/73/28/569377328.db2.gz	VJQSNNADQQSGTO-UHFFFAOYSA-N	0	1	449.309	2.061	50	30		IEEAMN
Cn1c2nc(NN=Cc3ccccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000009354205	569525014	/nfs/dbraw/zinc/52/50/14/569525014.db2.gz	LIRYOLRRNLXLCE-FOKLQQMPSA-N	0	1	438.875	2.287	50	30		IEEAMN
C=CCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc4c(c3)OCO4)N(c3ccccc3)N2)C1=O	ZINC000009446544	569535930	/nfs/dbraw/zinc/53/59/30/569535930.db2.gz	KRSGXIFCLIMEBA-XUMLYMLNSA-N	0	1	432.436	2.390	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009460823	569536962	/nfs/dbraw/zinc/53/69/62/569536962.db2.gz	VYPGRJMEHYBHPR-LJQANCHMSA-N	0	1	442.424	2.191	50	30		IEEAMN
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S	ZINC000002255905	132250244	/nfs/dbraw/zinc/25/02/44/132250244.db2.gz	IWLPHXNGRGBGJQ-ATVHPVEESA-N	0	1	445.614	2.319	50	30		IEEAMN
COc1cc([C@@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O	ZINC000095201982	522914274	/nfs/dbraw/zinc/91/42/74/522914274.db2.gz	LBGPMELXIHTQET-LJQANCHMSA-N	0	1	443.456	2.136	50	30		IEEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013693344	524909934	/nfs/dbraw/zinc/90/99/34/524909934.db2.gz	QWISQCVUQBFICT-IBGZPJMESA-N	0	1	428.489	2.184	50	30		IEEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013735303	524910649	/nfs/dbraw/zinc/91/06/49/524910649.db2.gz	VZJOTNGNSRHIMA-FQEVSTJZSA-N	0	1	440.500	2.251	50	30		IEEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)ccc2O1	ZINC000000703248	555543601	/nfs/dbraw/zinc/54/36/01/555543601.db2.gz	LDRDJMWJCWWXIL-AOMKIAJQSA-N	0	1	449.507	2.316	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000008737840	556204820	/nfs/dbraw/zinc/20/48/20/556204820.db2.gz	VEDPXVPGSCTSMK-MRJHHRETSA-N	0	1	438.480	2.450	50	30		IEEAMN
Cn1c2nc(NN=Cc3cccnc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000009425127	557145674	/nfs/dbraw/zinc/14/56/74/557145674.db2.gz	HKAGINAQSCJIKA-VULFUBBASA-N	0	1	439.479	2.476	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102556802	557358531	/nfs/dbraw/zinc/35/85/31/557358531.db2.gz	PKDICXNFWSMQGB-LFVOPCPISA-N	0	1	442.424	2.034	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102706841	557366788	/nfs/dbraw/zinc/36/67/88/557366788.db2.gz	OFPOLQKZYPIAOS-WOOAAIBNSA-N	0	1	443.452	2.135	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102732942	557372243	/nfs/dbraw/zinc/37/22/43/557372243.db2.gz	VSMIDZVEFSJVQX-JBCNATCCSA-N	0	1	438.480	2.450	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(F)cc1	ZINC000102869717	557405058	/nfs/dbraw/zinc/40/50/58/557405058.db2.gz	PTWBOWCHRFVEOJ-SELCWUDQSA-N	0	1	430.388	2.165	50	30		IEEAMN
Cn1cc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1C#N	ZINC000299784745	569284336	/nfs/dbraw/zinc/28/43/36/569284336.db2.gz	QFJVNWFIBKVNSL-JOCHJYFZSA-N	0	1	426.492	2.307	50	30		IEEAMN
CN1CCN(C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2ccccc2)CC1	ZINC000095455041	569368502	/nfs/dbraw/zinc/36/85/02/569368502.db2.gz	QFCADELXHHLMNN-HXUWFJFHSA-N	0	1	425.920	2.255	50	30		IEEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCN(C)C	ZINC000009312535	569521882	/nfs/dbraw/zinc/52/18/82/569521882.db2.gz	IPKUMHKOJARVEQ-JBCNATCCSA-N	0	1	438.480	2.450	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009375028	569527191	/nfs/dbraw/zinc/52/71/91/569527191.db2.gz	JTXUFUZEQUDQGB-LJQANCHMSA-N	0	1	442.424	2.191	50	30		IEEAMN
C=CCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(SC)cc3)C2C(=O)OCC)CC1	ZINC000067287063	518865459	/nfs/dbraw/zinc/86/54/59/518865459.db2.gz	INKNWEUWHNJHRO-FQEVSTJZSA-N	0	1	430.574	2.383	50	30		IEEAMN
COC(=O)c1ccc(OS(=O)(=O)[N-]C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1	ZINC000015319812	522147128	/nfs/dbraw/zinc/14/71/28/522147128.db2.gz	KDFAYNUSUDUCCW-RDJZCZTQSA-N	0	1	426.491	2.292	50	30		IEEAMN
COC(=O)c1ccccc1OS(=O)(=O)[N-]C(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000012417878	522288072	/nfs/dbraw/zinc/28/80/72/522288072.db2.gz	JMRBPNZWIRCEAP-GOEBONIOSA-N	0	1	426.491	2.292	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000013688785	525387980	/nfs/dbraw/zinc/38/79/80/525387980.db2.gz	DFOOBBUFFLXJIF-IBGZPJMESA-N	0	1	428.489	2.184	50	30		IEEAMN
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C	ZINC000004214799	555976637	/nfs/dbraw/zinc/97/66/37/555976637.db2.gz	NPGNOVNWUSPMDP-UTEPHESZSA-N	0	1	439.578	2.412	50	30	world	IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(C)c1	ZINC000008837133	556226105	/nfs/dbraw/zinc/22/61/05/556226105.db2.gz	LYKIJTIDDKRLCO-OAQYLSRUSA-N	0	1	437.496	2.309	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000013724383	556719326	/nfs/dbraw/zinc/71/93/26/556719326.db2.gz	UFYGVMJAGQXQLJ-LJQANCHMSA-N	0	1	442.516	2.194	50	30		IEEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013735306	556721884	/nfs/dbraw/zinc/72/18/84/556721884.db2.gz	VZJOTNGNSRHIMA-HXUWFJFHSA-N	0	1	440.500	2.251	50	30		IEEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000019368564	556746723	/nfs/dbraw/zinc/74/67/23/556746723.db2.gz	QLFDSRWNXKEOAX-OAQYLSRUSA-N	0	1	436.464	2.326	50	30		IEEAMN
Cn1c2nc(NN=Cc3cccnc3)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O	ZINC000009373684	557144396	/nfs/dbraw/zinc/14/43/96/557144396.db2.gz	SERZVSAMNZOPBC-DHRITJCHSA-N	0	1	425.452	2.466	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@H]1c1ccncc1	ZINC000102710346	557368176	/nfs/dbraw/zinc/36/81/76/557368176.db2.gz	ULXRTPPRKWAGNZ-ACOYQDLFSA-N	0	1	432.885	2.344	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102750307	557382534	/nfs/dbraw/zinc/38/25/34/557382534.db2.gz	VRKKDGPQJOTHSR-YDJIHCHBSA-N	0	1	442.516	2.037	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C	ZINC000102865308	557404491	/nfs/dbraw/zinc/40/44/91/557404491.db2.gz	RKNKUMHUEZQFGF-WENBPLFZSA-N	0	1	440.500	2.187	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1	ZINC000102894918	557406131	/nfs/dbraw/zinc/40/61/31/557406131.db2.gz	UKNLCPFHLKURGV-WOOAAIBNSA-N	0	1	442.424	2.034	50	30		IEEAMN
COC(=O)[C@@]1(O)C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1ccccc1	ZINC000001061522	568655887	/nfs/dbraw/zinc/65/58/87/568655887.db2.gz	HSDWGDOCSLHPHR-IBGZPJMESA-N	0	1	432.226	2.352	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3nc(C)no3)C1=O)O2	ZINC000253410741	569265698	/nfs/dbraw/zinc/26/56/98/569265698.db2.gz	NRQSVNNCRWPPDT-OZOJFGJPSA-N	0	1	439.424	2.050	50	30	biogenic	IEEAMN
N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F	ZINC000009451430	569536426	/nfs/dbraw/zinc/53/64/26/569536426.db2.gz	NSTYHAKSRXUGOL-RRPDAFEBSA-N	0	1	432.296	2.103	50	30		IEEAMN
Cn1c(N=NCc2ccnc3ccccc23)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	ZINC000008996408	569495763	/nfs/dbraw/zinc/49/57/63/569495763.db2.gz	OWLKJEQZOWIRRX-VULFUBBASA-N	0	1	439.479	2.476	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(F)cc1	ZINC000009436548	569534867	/nfs/dbraw/zinc/53/48/67/569534867.db2.gz	XTQUHJPSSYIQDF-GOSISDBHSA-N	0	1	430.388	2.321	50	30		IEEAMN
C[C@H]1C[C@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c2=O)C1	ZINC000009495524	569541078	/nfs/dbraw/zinc/54/10/78/569541078.db2.gz	JHPBHRPXXTWBEB-GJZGRUSLSA-N	0	1	430.530	2.180	50	30		IEEAMN
CC(C)CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000010103104	569577808	/nfs/dbraw/zinc/57/78/08/569577808.db2.gz	AOHFYGDHOWHJLS-UHFFFAOYSA-N	0	1	449.309	2.384	50	30		IEEAMN
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CCN(c4ccccn4)CC3)c2c1C#N	ZINC000009410973	132316088	/nfs/dbraw/zinc/31/60/88/132316088.db2.gz	JFEKLNOZSBJUIG-LJQANCHMSA-N	0	1	442.523	2.012	50	30		IEEAMN
C#CCN1c2ccc(C)cc2[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O	ZINC000095475611	518272145	/nfs/dbraw/zinc/27/21/45/518272145.db2.gz	BFDBFKWPOVNVDY-HSZRJFAPSA-N	0	1	438.451	2.413	50	30		IEEAMN
C#CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCSCC1	ZINC000036249943	518300620	/nfs/dbraw/zinc/30/06/20/518300620.db2.gz	HKQOIUFUIQMQQH-FQEVSTJZSA-N	0	1	445.585	2.354	50	30		IEEAMN
CCOC(=O)C1C(CN2CCN(CCC#N)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1	ZINC000022917717	520513735	/nfs/dbraw/zinc/51/37/35/520513735.db2.gz	IRVQBFFDIRCLON-LJQANCHMSA-N	0	1	431.924	2.042	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1C	ZINC000013127326	524021338	/nfs/dbraw/zinc/02/13/38/524021338.db2.gz	NAYPBJDDECDHGK-GOSISDBHSA-N	0	1	429.473	2.459	50	30		IEEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013685881	524910380	/nfs/dbraw/zinc/91/03/80/524910380.db2.gz	BDGGRGWPZWPFPY-FQEVSTJZSA-N	0	1	442.516	2.194	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000020677281	525391832	/nfs/dbraw/zinc/39/18/32/525391832.db2.gz	LXHYEKMUTULDLE-FQEVSTJZSA-N	0	1	440.500	2.251	50	30		IEEAMN
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2c2cccs2)CC1	ZINC000012682025	526749000	/nfs/dbraw/zinc/74/90/00/526749000.db2.gz	NEUYQHWBXLJJAY-SFHVURJKSA-N	0	1	444.582	2.290	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000009130718	556248799	/nfs/dbraw/zinc/24/87/99/556248799.db2.gz	XMDLPFIPOABZJL-LJQANCHMSA-N	0	1	443.452	2.292	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000009130719	556248891	/nfs/dbraw/zinc/24/88/91/556248891.db2.gz	XMDLPFIPOABZJL-IBGZPJMESA-N	0	1	443.452	2.292	50	30		IEEAMN
Oc1c(I)cc(I)cc1/C=N\n1cnnc1	ZINC000014137582	556375856	/nfs/dbraw/zinc/37/58/56/556375856.db2.gz	UVVONDVEIXSCOF-BNNQUZSASA-N	0	1	439.982	2.075	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C	ZINC000102861711	557402247	/nfs/dbraw/zinc/40/22/47/557402247.db2.gz	XUMLHYPVHUKNGB-ZMESVYRVSA-N	0	1	425.485	2.401	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1C	ZINC000102861711	557402250	/nfs/dbraw/zinc/40/22/50/557402250.db2.gz	XUMLHYPVHUKNGB-ZMESVYRVSA-N	0	1	425.485	2.401	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C	ZINC000102877699	557406702	/nfs/dbraw/zinc/40/67/02/557406702.db2.gz	XIBWHNFFLBYBGX-XMGGNUPJSA-N	0	1	431.514	2.463	50	30		IEEAMN
CC(=O)C1=CCC(=NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)C=C1	ZINC000334158132	568750943	/nfs/dbraw/zinc/75/09/43/568750943.db2.gz	SFTZKBWGBOHKDZ-INIZCTEOSA-N	0	1	439.486	2.326	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1C	ZINC000009019876	569497004	/nfs/dbraw/zinc/49/70/04/569497004.db2.gz	CXTFKSUGWUDGBP-NRFANRHFSA-N	0	1	437.496	2.309	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1C	ZINC000009274283	569518138	/nfs/dbraw/zinc/51/81/38/569518138.db2.gz	FKKYUGJQKCGONX-LJQANCHMSA-N	0	1	440.500	2.343	50	30		IEEAMN
Cn1c2nc(NN=Cc3ccnc4ccccc34)n(Cc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009354855	569525131	/nfs/dbraw/zinc/52/51/31/569525131.db2.gz	BCKUNDMWRUMOAG-VULFUBBASA-N	0	1	439.479	2.476	50	30		IEEAMN
Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009424274	569533071	/nfs/dbraw/zinc/53/30/71/569533071.db2.gz	JDYWWHZIQCTMDY-LJQANCHMSA-N	0	1	426.425	2.490	50	30		IEEAMN
N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F	ZINC000009451438	569536405	/nfs/dbraw/zinc/53/64/05/569536405.db2.gz	NSTYHAKSRXUGOL-ONYLCFQQSA-N	0	1	432.296	2.103	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1	ZINC000009471060	569538919	/nfs/dbraw/zinc/53/89/19/569538919.db2.gz	STDGQJIWIRGLTM-LJQANCHMSA-N	0	1	442.424	2.191	50	30		IEEAMN
C#CCN1c2ccc(F)cc2[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O	ZINC000095478140	518273547	/nfs/dbraw/zinc/27/35/47/518273547.db2.gz	MGCCXBBLOSVWDD-QFIPXVFZSA-N	0	1	442.414	2.244	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000013692587	524108268	/nfs/dbraw/zinc/10/82/68/524108268.db2.gz	MKZYPZFDBAQFDM-GOSISDBHSA-N	0	1	428.489	2.184	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000013692586	524171481	/nfs/dbraw/zinc/17/14/81/524171481.db2.gz	MKZYPZFDBAQFDM-SFHVURJKSA-N	0	1	428.489	2.184	50	30		IEEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013693345	524891124	/nfs/dbraw/zinc/89/11/24/524891124.db2.gz	QWISQCVUQBFICT-LJQANCHMSA-N	0	1	428.489	2.184	50	30		IEEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102487726	526953095	/nfs/dbraw/zinc/95/30/95/526953095.db2.gz	KQHUKPXKCHZRFF-YDJIHCHBSA-N	0	1	437.452	2.349	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1F	ZINC000008951786	556235828	/nfs/dbraw/zinc/23/58/28/556235828.db2.gz	ROMZUSJNJWXLKR-HXUWFJFHSA-N	0	1	441.459	2.140	50	30		IEEAMN
COC(=O)c1cccc(OS(=O)(=O)[N-]C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000015319809	556519889	/nfs/dbraw/zinc/51/98/89/556519889.db2.gz	LOQLKVSOVPIECY-RDJZCZTQSA-N	0	1	426.491	2.292	50	30		IEEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCO)cc1	ZINC000011916958	556675426	/nfs/dbraw/zinc/67/54/26/556675426.db2.gz	TZPQPZYHYQFRCB-LJQANCHMSA-N	0	1	441.436	2.061	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1	ZINC000020103279	556980790	/nfs/dbraw/zinc/98/07/90/556980790.db2.gz	JHUWRQZLANNZKU-NRFANRHFSA-N	0	1	438.480	2.311	50	30		IEEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000101288261	557268637	/nfs/dbraw/zinc/26/86/37/557268637.db2.gz	LMINHNQJGXSZNW-MOBKVPTQSA-N	0	1	449.507	2.400	50	30		IEEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102740875	557376020	/nfs/dbraw/zinc/37/60/20/557376020.db2.gz	DSICMSDCDKFJBU-LFVOPCPISA-N	0	1	428.489	2.027	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102744282	557377070	/nfs/dbraw/zinc/37/70/70/557377070.db2.gz	SNRROIZPINBLII-GHNGSUTGSA-N	0	1	428.489	2.027	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(F)c1	ZINC000102891918	557405847	/nfs/dbraw/zinc/40/58/47/557405847.db2.gz	RHDCMFAMVLFTLG-GHNGSUTGSA-N	0	1	430.388	2.165	50	30		IEEAMN
N#Cc1ccc(CN2CCC(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)cc1	ZINC000524733409	569127136	/nfs/dbraw/zinc/12/71/36/569127136.db2.gz	PJTJCSKSEOTNPR-QFIPXVFZSA-N	0	1	445.523	2.170	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H]3CCCO3)C1=O)O2	ZINC000253409426	569265574	/nfs/dbraw/zinc/26/55/74/569265574.db2.gz	LUQKZWLXWNRWMZ-NZGBIPBJSA-N	0	1	427.453	2.337	50	30	biogenic	IEEAMN
CCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000254848303	569450564	/nfs/dbraw/zinc/45/05/64/569450564.db2.gz	HRXNNLUJHOOCDR-UHFFFAOYSA-N	0	1	435.282	2.463	50	30		IEEAMN
Clc1cccc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1Cl	ZINC000008872343	569480929	/nfs/dbraw/zinc/48/09/29/569480929.db2.gz	GBBHGGGGKYSGAY-CIAFOILYSA-N	0	1	438.319	2.298	50	30		IEEAMN
Clc1cccc(Cl)c1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000008872357	569480958	/nfs/dbraw/zinc/48/09/58/569480958.db2.gz	QPBOLLHCHMZMMS-CIAFOILYSA-N	0	1	438.319	2.298	50	30		IEEAMN
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)o1)=C(O)C(=O)N2CCN(C)C	ZINC000009358441	569525651	/nfs/dbraw/zinc/52/56/51/569525651.db2.gz	OAXQWHICLPJRLM-ICDFRGRZSA-N	0	1	437.496	2.482	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(F)c1	ZINC000009463287	569537419	/nfs/dbraw/zinc/53/74/19/569537419.db2.gz	PGNKIBXQLKYJQQ-SFHVURJKSA-N	0	1	430.388	2.321	50	30		IEEAMN
C[C@@H]1C[C@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c2=O)C1	ZINC000009495521	569541043	/nfs/dbraw/zinc/54/10/43/569541043.db2.gz	JHPBHRPXXTWBEB-GASCZTMLSA-N	0	1	430.530	2.180	50	30		IEEAMN
C=CCN1CCN(CC2=NC(=O)N[C@H](c3ccc(SC)cc3)C2C(=O)OCC)CC1	ZINC000067287060	518865018	/nfs/dbraw/zinc/86/50/18/518865018.db2.gz	INKNWEUWHNJHRO-HXUWFJFHSA-N	0	1	430.574	2.383	50	30		IEEAMN
C=CCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(OCC)cc3)C2C(=O)OCC)CC1	ZINC000067287721	518865255	/nfs/dbraw/zinc/86/52/55/518865255.db2.gz	FWJKOHWJTUSYMW-NRFANRHFSA-N	0	1	428.533	2.060	50	30		IEEAMN
CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccs1	ZINC000012892767	522010768	/nfs/dbraw/zinc/01/07/68/522010768.db2.gz	XTEVFRUJOHFIGN-IBGZPJMESA-N	0	1	446.598	2.440	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1	ZINC000013689305	526484535	/nfs/dbraw/zinc/48/45/35/526484535.db2.gz	NEBZNEPCOQMQSW-LJQANCHMSA-N	0	1	428.464	2.076	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1c1cccnc1	ZINC000102700663	526956954	/nfs/dbraw/zinc/95/69/54/526956954.db2.gz	ZJQUMZQFHQLJBN-XFFRXGOTSA-N	0	1	432.885	2.344	50	30		IEEAMN
C/C(Cl)=C/Cn1c(N=NC(C)c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000005295813	556043977	/nfs/dbraw/zinc/04/39/77/556043977.db2.gz	PXVPQAJMZGGZJL-QTYUPHBCSA-N	0	1	431.840	2.310	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1C	ZINC000017179824	556671781	/nfs/dbraw/zinc/67/17/81/556671781.db2.gz	MAOCKPJMWIKIDB-NRFANRHFSA-N	0	1	437.496	2.309	50	30		IEEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102487009	557331417	/nfs/dbraw/zinc/33/14/17/557331417.db2.gz	YCZCXVDKBAQWRP-NHFXJNLRSA-N	0	1	437.452	2.349	50	30		IEEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102487717	557331453	/nfs/dbraw/zinc/33/14/53/557331453.db2.gz	KQHUKPXKCHZRFF-NHFXJNLRSA-N	0	1	437.452	2.349	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1C	ZINC000102519121	557351118	/nfs/dbraw/zinc/35/11/18/557351118.db2.gz	WHSNCFKNVQXCTR-BDBAMQCISA-N	0	1	429.473	2.303	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(F)cc1	ZINC000102550445	557358178	/nfs/dbraw/zinc/35/81/78/557358178.db2.gz	KSSLBOCODHHZDI-SELCWUDQSA-N	0	1	430.388	2.165	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1	ZINC000102714120	557374419	/nfs/dbraw/zinc/37/44/19/557374419.db2.gz	FTLAPWGSXZKGEK-WOOAAIBNSA-N	0	1	427.888	2.489	50	30		IEEAMN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1	ZINC000102893863	557405854	/nfs/dbraw/zinc/40/58/54/557405854.db2.gz	HJVPSICUSZKHHW-LFVOPCPISA-N	0	1	444.509	2.005	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](CO)C(C)C)C1=O)O2	ZINC000263585432	568759026	/nfs/dbraw/zinc/75/90/26/568759026.db2.gz	ILOJMKHVPUDCJW-NZGBIPBJSA-N	0	1	429.469	2.175	50	30	biogenic	IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H]3CCCO3)C1=O)O2	ZINC000253409424	569265587	/nfs/dbraw/zinc/26/55/87/569265587.db2.gz	LUQKZWLXWNRWMZ-IOHINAGISA-N	0	1	427.453	2.337	50	30	biogenic	IEEAMN
Cn1cc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cc1C#N	ZINC000299784761	569284311	/nfs/dbraw/zinc/28/43/11/569284311.db2.gz	QFJVNWFIBKVNSL-QFIPXVFZSA-N	0	1	426.492	2.307	50	30		IEEAMN
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000020029251	569332461	/nfs/dbraw/zinc/33/24/61/569332461.db2.gz	PDVBAHUICDNXET-SFHVURJKSA-N	0	1	430.457	2.445	50	30		IEEAMN
N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1	ZINC000003267792	569443442	/nfs/dbraw/zinc/44/34/42/569443442.db2.gz	SUQAPMQAFSXFIK-GOSISDBHSA-N	0	1	428.496	2.255	50	30		IEEAMN
C=CCN1C(=O)[C@H]2[C@H](CC(C)C)N[C@]3(c4cc(Br)ccc4NC3=O)[C@H]2C1=O	ZINC000009129832	569505836	/nfs/dbraw/zinc/50/58/36/569505836.db2.gz	CYWYHXSWNLSWEA-ZFCANOHDSA-N	0	1	432.318	2.402	50	30		IEEAMN
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)o1)=C(O)C(=O)N2CCN(C)C	ZINC000009374080	569527085	/nfs/dbraw/zinc/52/70/85/569527085.db2.gz	OAXQWHICLPJRLM-BOAGOGTPSA-N	0	1	437.496	2.482	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(F)cc1	ZINC000009424684	569533138	/nfs/dbraw/zinc/53/31/38/569533138.db2.gz	XTQUHJPSSYIQDF-SFHVURJKSA-N	0	1	430.388	2.321	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000009111025	525221847	/nfs/dbraw/zinc/22/18/47/525221847.db2.gz	PIBXMQGHEIJLJX-GOSISDBHSA-N	0	1	428.397	2.183	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000013689956	526484856	/nfs/dbraw/zinc/48/48/56/526484856.db2.gz	OMRXWXKOQHUXRR-IBGZPJMESA-N	0	1	428.464	2.076	50	30		IEEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1	ZINC000012323994	527607136	/nfs/dbraw/zinc/60/71/36/527607136.db2.gz	YTODGMHFQPTCQR-HXUWFJFHSA-N	0	1	442.491	2.087	50	30		IEEAMN
N#CC(C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCOCC1	ZINC000002305120	555767256	/nfs/dbraw/zinc/76/72/56/555767256.db2.gz	FVWASYGMZWSUCZ-INIZCTEOSA-N	0	1	431.452	2.119	50	30		IEEAMN
C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1	ZINC000034677596	555796151	/nfs/dbraw/zinc/79/61/51/555796151.db2.gz	HTSHQTVAOBHCLR-HXUWFJFHSA-N	0	1	442.560	2.100	50	30		IEEAMN
Cc1ccc(Cn2c(NN=Cc3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000005356557	556047559	/nfs/dbraw/zinc/04/75/59/556047559.db2.gz	QFCXOVRKRQXFQD-SSDVNMTOSA-N	0	1	433.428	2.134	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000009111026	556247773	/nfs/dbraw/zinc/24/77/73/556247773.db2.gz	PIBXMQGHEIJLJX-SFHVURJKSA-N	0	1	428.397	2.183	50	30		IEEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013730473	556720382	/nfs/dbraw/zinc/72/03/82/556720382.db2.gz	GPKDHRMQKUXRAY-IBGZPJMESA-N	0	1	438.484	2.020	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000020064483	556978091	/nfs/dbraw/zinc/97/80/91/556978091.db2.gz	AWAXCNPZQVOJCD-OAQYLSRUSA-N	0	1	438.480	2.311	50	30		IEEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000101288264	557268620	/nfs/dbraw/zinc/26/86/20/557268620.db2.gz	LMINHNQJGXSZNW-HOGKFDNTSA-N	0	1	449.507	2.400	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1C	ZINC000102519113	557351129	/nfs/dbraw/zinc/35/11/29/557351129.db2.gz	WHSNCFKNVQXCTR-CQGUWYRNSA-N	0	1	429.473	2.303	50	30		IEEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1	ZINC000102691575	557364298	/nfs/dbraw/zinc/36/42/98/557364298.db2.gz	QNVCIOGWBCBELW-MRJHHRETSA-N	0	1	437.496	2.234	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@H]2CCS(=O)(=O)C2)[C@@H]1c1ccncc1	ZINC000102710348	557368293	/nfs/dbraw/zinc/36/82/93/557368293.db2.gz	ULXRTPPRKWAGNZ-XFFRXGOTSA-N	0	1	432.885	2.344	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1	ZINC000102714117	557374552	/nfs/dbraw/zinc/37/45/52/557374552.db2.gz	FTLAPWGSXZKGEK-LFVOPCPISA-N	0	1	427.888	2.489	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102750306	557382593	/nfs/dbraw/zinc/38/25/93/557382593.db2.gz	VRKKDGPQJOTHSR-NHFXJNLRSA-N	0	1	442.516	2.037	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1	ZINC000102891376	557405718	/nfs/dbraw/zinc/40/57/18/557405718.db2.gz	WTNSIKILKBJQKG-WOOAAIBNSA-N	0	1	442.424	2.034	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)c1	ZINC000102894916	557406105	/nfs/dbraw/zinc/40/61/05/557406105.db2.gz	UKNLCPFHLKURGV-LFVOPCPISA-N	0	1	442.424	2.034	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(F)c1	ZINC000102898042	557411149	/nfs/dbraw/zinc/41/11/49/557411149.db2.gz	OUDJQVDXHIZPDA-SELCWUDQSA-N	0	1	430.388	2.165	50	30		IEEAMN
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1c(F)cccc1F)C2	ZINC000014539090	568826397	/nfs/dbraw/zinc/82/63/97/568826397.db2.gz	YCAKHDLDTFSYPH-INIZCTEOSA-N	0	1	429.515	2.382	50	30		IEEAMN
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@]21c2cc(Br)ccc2NC1=O	ZINC000015971971	568861481	/nfs/dbraw/zinc/86/14/81/568861481.db2.gz	CYWYHXSWNLSWEA-KSVNGYGVSA-N	0	1	432.318	2.402	50	30		IEEAMN
C=CCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(c4cc(Br)ccc4NC3=O)[C@H]2C1=O	ZINC000138008939	568922665	/nfs/dbraw/zinc/92/26/65/568922665.db2.gz	CYWYHXSWNLSWEA-ROYATCLZSA-N	0	1	432.318	2.402	50	30		IEEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O	ZINC000002278175	569217980	/nfs/dbraw/zinc/21/79/80/569217980.db2.gz	BMJHXVKQZWGFME-PDGQHHTCSA-N	0	1	445.431	2.139	50	30		IEEAMN
N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)o1	ZINC000095458548	569369196	/nfs/dbraw/zinc/36/91/96/569369196.db2.gz	WBUYLDMFTRFBEF-UHFFFAOYSA-N	0	1	425.485	2.030	50	30		IEEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCN(C)C	ZINC000009312536	569521847	/nfs/dbraw/zinc/52/18/47/569521847.db2.gz	IPKUMHKOJARVEQ-MRJHHRETSA-N	0	1	438.480	2.450	50	30		IEEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCCOC)CC1	ZINC000009348782	569524574	/nfs/dbraw/zinc/52/45/74/569524574.db2.gz	CQVZXKSFEUAJEF-KRWDZBQOSA-N	0	1	439.516	2.169	50	30		IEEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)cc1	ZINC000009424722	569533118	/nfs/dbraw/zinc/53/31/18/569533118.db2.gz	YUZICPGMOIKDBD-HXUWFJFHSA-N	0	1	427.453	2.378	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1	ZINC000009425175	569533170	/nfs/dbraw/zinc/53/31/70/569533170.db2.gz	PAJBWYUJTFGFRS-LJQANCHMSA-N	0	1	442.424	2.191	50	30		IEEAMN
CCOC(=O)C1C(CN2CCN(CCC#N)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1	ZINC000022917722	520515385	/nfs/dbraw/zinc/51/53/85/520515385.db2.gz	IRVQBFFDIRCLON-IBGZPJMESA-N	0	1	431.924	2.042	50	30		IEEAMN
CN(C)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1	ZINC000035128464	522135281	/nfs/dbraw/zinc/13/52/81/522135281.db2.gz	VBJPZHQSZMIYPU-RCCKNPSSSA-N	0	1	446.533	2.043	50	30		IEEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013685885	524891919	/nfs/dbraw/zinc/89/19/19/524891919.db2.gz	BDGGRGWPZWPFPY-HXUWFJFHSA-N	0	1	442.516	2.194	50	30		IEEAMN
Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102890938	525788437	/nfs/dbraw/zinc/78/84/37/525788437.db2.gz	UOKOTSHUAYUGHY-LFVOPCPISA-N	0	1	426.425	2.334	50	30		IEEAMN
N#CC(C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCOCC1	ZINC000002305119	555767231	/nfs/dbraw/zinc/76/72/31/555767231.db2.gz	FVWASYGMZWSUCZ-MRXNPFEDSA-N	0	1	431.452	2.119	50	30		IEEAMN
CC(C)CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008435556	556173306	/nfs/dbraw/zinc/17/33/06/556173306.db2.gz	AOHFYGDHOWHJLS-AWQFTUOYSA-N	0	1	449.309	2.384	50	30		IEEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c1	ZINC000008951527	556235710	/nfs/dbraw/zinc/23/57/10/556235710.db2.gz	BXSCJJLPKQAJJD-OAQYLSRUSA-N	0	1	437.496	2.391	50	30		IEEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009458158	556292881	/nfs/dbraw/zinc/29/28/81/556292881.db2.gz	FFOZVNUDXGMVRK-HXUWFJFHSA-N	0	1	427.453	2.378	50	30		IEEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000013730938	556720764	/nfs/dbraw/zinc/72/07/64/556720764.db2.gz	LXPFNFRDUDLKQN-HXUWFJFHSA-N	0	1	440.475	2.143	50	30		IEEAMN
CCOC(=O)C1=C(CN2CCN(CCC#N)CC2)NC(=O)N[C@@H]1c1cc(C)ccc1C	ZINC000019359308	556745758	/nfs/dbraw/zinc/74/57/58/556745758.db2.gz	NQLHADYDEXJROR-OAQYLSRUSA-N	0	1	425.533	2.006	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1	ZINC000020064484	556978085	/nfs/dbraw/zinc/97/80/85/556978085.db2.gz	AWAXCNPZQVOJCD-NRFANRHFSA-N	0	1	438.480	2.311	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1	ZINC000020103277	556980815	/nfs/dbraw/zinc/98/08/15/556980815.db2.gz	JHUWRQZLANNZKU-OAQYLSRUSA-N	0	1	438.480	2.311	50	30		IEEAMN
Cn1c2nc(NN=Cc3ccncc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000009455246	557146654	/nfs/dbraw/zinc/14/66/54/557146654.db2.gz	ORHBFYNCPLGKNA-VULFUBBASA-N	0	1	439.479	2.476	50	30		IEEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102487015	557331442	/nfs/dbraw/zinc/33/14/42/557331442.db2.gz	YCZCXVDKBAQWRP-YDJIHCHBSA-N	0	1	437.452	2.349	50	30		IEEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102716138	557374999	/nfs/dbraw/zinc/37/49/99/557374999.db2.gz	HITKLSXATNTMCT-YDJIHCHBSA-N	0	1	438.480	2.465	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C	ZINC000102862615	557403309	/nfs/dbraw/zinc/40/33/09/557403309.db2.gz	FPAWBGGEXJFZQJ-WENBPLFZSA-N	0	1	440.500	2.187	50	30		IEEAMN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCOC)c(=O)c2c1	ZINC000006296458	562946582	/nfs/dbraw/zinc/94/65/82/562946582.db2.gz	CPKFGPZBHGXNHR-UHFFFAOYSA-N	0	1	441.509	2.286	50	30		IEEAMN
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	ZINC000019224377	563022495	/nfs/dbraw/zinc/02/24/95/563022495.db2.gz	CFQPLRRNIVBDMV-UHFFFAOYSA-N	0	1	447.539	2.024	50	30		IEEAMN
COC(=O)[C@]1(O)C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1ccccc1	ZINC000001061526	568655844	/nfs/dbraw/zinc/65/58/44/568655844.db2.gz	HSDWGDOCSLHPHR-LJQANCHMSA-N	0	1	432.226	2.352	50	30		IEEAMN
COc1ccc2c(c1)[nH]cc(C(=O)NCCCc1nn3c(nc(C)cc3C)c1C#N)c2=O	ZINC000078597151	568762099	/nfs/dbraw/zinc/76/20/99/568762099.db2.gz	RLVNYLDCTIIHCO-UHFFFAOYSA-N	0	1	430.468	2.431	50	30		IEEAMN
C=CCOc1ccccc1CN1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1	ZINC000014965791	568827650	/nfs/dbraw/zinc/82/76/50/568827650.db2.gz	DPIDPORRTABEJH-HXUWFJFHSA-N	0	1	433.578	2.148	50	30		IEEAMN
C=CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(CC)CC2)SC1=S	ZINC000001249343	568833548	/nfs/dbraw/zinc/83/35/48/568833548.db2.gz	CHDBXOIMDXJJPS-PEZBUJJGSA-N	0	1	441.582	2.224	50	30		IEEAMN
CN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)CCC#N)cc2c1=O	ZINC000006181051	568867999	/nfs/dbraw/zinc/86/79/99/568867999.db2.gz	LYULPSHLDFKUAL-UHFFFAOYSA-N	0	1	438.509	2.334	50	30		IEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3c[nH]nc3C)C1=O)O2	ZINC000253402193	569265012	/nfs/dbraw/zinc/26/50/12/569265012.db2.gz	GDBFEJRROKTPNE-LJJIPZOBSA-N	0	1	437.452	2.390	50	30	biogenic	IEEAMN
COc1ccc(C(=N)NOC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1	ZINC000252509300	569288204	/nfs/dbraw/zinc/28/82/04/569288204.db2.gz	YKDKKPMIJPFANT-QGZVFWFLSA-N	0	1	427.482	2.277	50	30		IEEAMN
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000009302116	569520800	/nfs/dbraw/zinc/52/08/00/569520800.db2.gz	HYCZGOVZKMNNBH-SELCWUDQSA-N	0	1	430.457	2.289	50	30		IEEAMN
COC(=O)c1ccc(OS(=O)(=O)[N-]C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1	ZINC000012417839	522148689	/nfs/dbraw/zinc/14/86/89/522148689.db2.gz	KDFAYNUSUDUCCW-DOTOQJQBSA-N	0	1	426.491	2.292	50	30		IEEAMN
COC(=O)c1cccc(OS(=O)(=O)[N-]C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000012417855	522245217	/nfs/dbraw/zinc/24/52/17/522245217.db2.gz	LOQLKVSOVPIECY-DOTOQJQBSA-N	0	1	426.491	2.292	50	30		IEEAMN
COc1ccc(-c2n[nH]c(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)cc1OC	ZINC000012792803	523173754	/nfs/dbraw/zinc/17/37/54/523173754.db2.gz	NTKUJJQZHUIZSM-UHFFFAOYSA-N	0	1	425.401	2.236	50	30		IEEAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000021548838	526086560	/nfs/dbraw/zinc/08/65/60/526086560.db2.gz	OQMKQHSPMWALFJ-UHFFFAOYSA-N	0	1	438.487	2.175	50	30		IEEAMN
N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F	ZINC000009580397	526441551	/nfs/dbraw/zinc/44/15/51/526441551.db2.gz	NSTYHAKSRXUGOL-ZHCQSXIZSA-N	0	1	432.296	2.103	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(F)cc1	ZINC000102869714	526952938	/nfs/dbraw/zinc/95/29/38/526952938.db2.gz	PTWBOWCHRFVEOJ-GHNGSUTGSA-N	0	1	430.388	2.165	50	30		IEEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)ccc2O1	ZINC000000703249	555543648	/nfs/dbraw/zinc/54/36/48/555543648.db2.gz	LDRDJMWJCWWXIL-ZHRRBRCNSA-N	0	1	449.507	2.316	50	30		IEEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C	ZINC000005917387	556069388	/nfs/dbraw/zinc/06/93/88/556069388.db2.gz	SPRMCPPHWRWAPT-DNTJNYDQSA-N	0	1	449.309	2.296	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c(C)c1	ZINC000017044549	556654061	/nfs/dbraw/zinc/65/40/61/556654061.db2.gz	WAVWFXGFQUQDKZ-NRFANRHFSA-N	0	1	437.496	2.309	50	30		IEEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCO)cc1	ZINC000011916956	556675295	/nfs/dbraw/zinc/67/52/95/556675295.db2.gz	TZPQPZYHYQFRCB-IBGZPJMESA-N	0	1	441.436	2.061	50	30		IEEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000013730941	556720891	/nfs/dbraw/zinc/72/08/91/556720891.db2.gz	LXPFNFRDUDLKQN-FQEVSTJZSA-N	0	1	440.475	2.143	50	30		IEEAMN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCN(C)C	ZINC000024192976	557140490	/nfs/dbraw/zinc/14/04/90/557140490.db2.gz	WZPQMIAYVFWQQL-VWLOTQADSA-N	0	1	449.507	2.356	50	30		IEEAMN
C#CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000100166488	557340548	/nfs/dbraw/zinc/34/05/48/557340548.db2.gz	NIBUEQGREKBPNM-ZHBILRMLSA-N	0	1	445.544	2.392	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H]1c1cccnc1	ZINC000102691366	557364265	/nfs/dbraw/zinc/36/42/65/557364265.db2.gz	ZJQUMZQFHQLJBN-CYDGKPJESA-N	0	1	432.885	2.344	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N([C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccncc1	ZINC000102709597	557367614	/nfs/dbraw/zinc/36/76/14/557367614.db2.gz	ULXRTPPRKWAGNZ-CYDGKPJESA-N	0	1	432.885	2.344	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102742192	557376437	/nfs/dbraw/zinc/37/64/37/557376437.db2.gz	CFOVIXIDBJMZOK-WOOAAIBNSA-N	0	1	442.516	2.037	50	30		IEEAMN
CN(C)c1ccc(C=[NH+]NC(=N)S[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000100331494	557400303	/nfs/dbraw/zinc/40/03/03/557400303.db2.gz	PRERIIVEYVKJRU-UXHMZNKVSA-N	0	1	439.497	2.374	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C	ZINC000102865306	557404302	/nfs/dbraw/zinc/40/43/02/557404302.db2.gz	RKNKUMHUEZQFGF-ZMESVYRVSA-N	0	1	440.500	2.187	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1C	ZINC000102877701	557406573	/nfs/dbraw/zinc/40/65/73/557406573.db2.gz	XIBWHNFFLBYBGX-PQMNFKMDSA-N	0	1	431.514	2.463	50	30		IEEAMN
C#CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O	ZINC000015320651	568828298	/nfs/dbraw/zinc/82/82/98/568828298.db2.gz	NIBUEQGREKBPNM-QNGCPFJASA-N	0	1	445.544	2.392	50	30		IEEAMN
CN(CCC#N)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O	ZINC000020211899	569356228	/nfs/dbraw/zinc/35/62/28/569356228.db2.gz	DZWHBWVJUYUWPN-UHFFFAOYSA-N	0	1	428.445	2.454	50	30		IEEAMN
C=CCNC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C	ZINC000002618395	569410534	/nfs/dbraw/zinc/41/05/34/569410534.db2.gz	PPUIKTFNQHQVGR-UHFFFAOYSA-N	0	1	449.460	2.104	50	30		IEEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCCOC)CC1	ZINC000009348780	569524587	/nfs/dbraw/zinc/52/45/87/569524587.db2.gz	CQVZXKSFEUAJEF-QGZVFWFLSA-N	0	1	439.516	2.169	50	30		IEEAMN
Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009424275	569533054	/nfs/dbraw/zinc/53/30/54/569533054.db2.gz	JDYWWHZIQCTMDY-IBGZPJMESA-N	0	1	426.425	2.490	50	30		IEEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc(O)c2)cc1	ZINC000009424723	569533159	/nfs/dbraw/zinc/53/31/59/569533159.db2.gz	YUZICPGMOIKDBD-FQEVSTJZSA-N	0	1	427.453	2.378	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(F)c1	ZINC000009425232	569533211	/nfs/dbraw/zinc/53/32/11/569533211.db2.gz	POYTZFBGZWODEU-SFHVURJKSA-N	0	1	430.388	2.321	50	30		IEEAMN
C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cccc(C)c21	ZINC000095472505	518266671	/nfs/dbraw/zinc/26/66/71/518266671.db2.gz	DQSGFRFMQSKXTE-QHCPKHFHSA-N	0	1	438.451	2.413	50	30		IEEAMN
C#CCN1c2ccc(F)cc2[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O	ZINC000095478139	518272813	/nfs/dbraw/zinc/27/28/13/518272813.db2.gz	MGCCXBBLOSVWDD-JOCHJYFZSA-N	0	1	442.414	2.244	50	30		IEEAMN
CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cccs1	ZINC000012892774	522068206	/nfs/dbraw/zinc/06/82/06/522068206.db2.gz	XTEVFRUJOHFIGN-LJQANCHMSA-N	0	1	446.598	2.440	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000013688789	525219097	/nfs/dbraw/zinc/21/90/97/525219097.db2.gz	DFOOBBUFFLXJIF-LJQANCHMSA-N	0	1	428.489	2.184	50	30		IEEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009470150	525985129	/nfs/dbraw/zinc/98/51/29/525985129.db2.gz	ZRLMIGZJDHBLQW-IBGZPJMESA-N	0	1	426.425	2.490	50	30		IEEAMN
CCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000005919359	556069225	/nfs/dbraw/zinc/06/92/25/556069225.db2.gz	HRXNNLUJHOOCDR-DJKKODMXSA-N	0	1	435.282	2.050	50	30		IEEAMN
Cn1c2nc(NN=Cc3ccccc3O)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O	ZINC000006444906	556088011	/nfs/dbraw/zinc/08/80/11/556088011.db2.gz	MAZDZNVQLBTSHP-FOKLQQMPSA-N	0	1	438.875	2.287	50	30		IEEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)cc2)cc1	ZINC000009458162	556292839	/nfs/dbraw/zinc/29/28/39/556292839.db2.gz	FFOZVNUDXGMVRK-FQEVSTJZSA-N	0	1	427.453	2.378	50	30		IEEAMN
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc2c(c1)OCO2	ZINC000019368566	556746613	/nfs/dbraw/zinc/74/66/13/556746613.db2.gz	QLFDSRWNXKEOAX-NRFANRHFSA-N	0	1	436.464	2.326	50	30		IEEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102740874	557375936	/nfs/dbraw/zinc/37/59/36/557375936.db2.gz	DSICMSDCDKFJBU-WOOAAIBNSA-N	0	1	428.489	2.027	50	30		IEEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1	ZINC000102739835	557380581	/nfs/dbraw/zinc/38/05/81/557380581.db2.gz	WVNJQHOFJVFLTN-LFVOPCPISA-N	0	1	444.919	2.434	50	30		IEEAMN
Cn1c2ccccc2nc1-c1c(N)n(CCCN2CCOCC2)c2nc(C#N)c(C#N)nc21	ZINC000023983763	557389638	/nfs/dbraw/zinc/38/96/38/557389638.db2.gz	MLSKKZILDUZBJG-UHFFFAOYSA-N	0	1	441.499	2.033	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000100302930	557398961	/nfs/dbraw/zinc/39/89/61/557398961.db2.gz	CPGGYKLXJDZCLC-SELCWUDQSA-N	0	1	428.397	2.026	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000100302927	557399010	/nfs/dbraw/zinc/39/90/10/557399010.db2.gz	CPGGYKLXJDZCLC-GHNGSUTGSA-N	0	1	428.397	2.026	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(F)c1	ZINC000102891916	557405791	/nfs/dbraw/zinc/40/57/91/557405791.db2.gz	RHDCMFAMVLFTLG-SELCWUDQSA-N	0	1	430.388	2.165	50	30		IEEAMN
CN(C)c1ccc(C=[NH+]NC(=N)S[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000019228162	569316535	/nfs/dbraw/zinc/31/65/35/569316535.db2.gz	PRERIIVEYVKJRU-FZJZADEZSA-N	0	1	439.497	2.374	50	30		IEEAMN
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000020029252	569332423	/nfs/dbraw/zinc/33/24/23/569332423.db2.gz	PDVBAHUICDNXET-GOSISDBHSA-N	0	1	430.457	2.445	50	30		IEEAMN
C=CCN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(c4cc(Br)ccc4NC3=O)[C@H]2C1=O	ZINC000230040587	569418799	/nfs/dbraw/zinc/41/87/99/569418799.db2.gz	CYWYHXSWNLSWEA-QCBUCWTNSA-N	0	1	432.318	2.402	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1C	ZINC000009019045	569496827	/nfs/dbraw/zinc/49/68/27/569496827.db2.gz	CXTFKSUGWUDGBP-OAQYLSRUSA-N	0	1	437.496	2.309	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1	ZINC000009176713	569509737	/nfs/dbraw/zinc/50/97/37/569509737.db2.gz	VBTRECJNTOSBTP-WOOAAIBNSA-N	0	1	427.888	2.489	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1C	ZINC000009233070	569513847	/nfs/dbraw/zinc/51/38/47/569513847.db2.gz	FKKYUGJQKCGONX-IBGZPJMESA-N	0	1	440.500	2.343	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(F)c1	ZINC000009425231	569533219	/nfs/dbraw/zinc/53/32/19/569533219.db2.gz	POYTZFBGZWODEU-GOSISDBHSA-N	0	1	430.388	2.321	50	30		IEEAMN
N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F	ZINC000009451433	569536395	/nfs/dbraw/zinc/53/63/95/569536395.db2.gz	NSTYHAKSRXUGOL-GERDJBSHSA-N	0	1	432.296	2.103	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009460824	525388689	/nfs/dbraw/zinc/38/86/89/525388689.db2.gz	VYPGRJMEHYBHPR-IBGZPJMESA-N	0	1	442.424	2.191	50	30		IEEAMN
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000002285248	555765562	/nfs/dbraw/zinc/76/55/62/555765562.db2.gz	GEYRYXFGXRVKNK-LJQANCHMSA-N	0	1	448.502	2.465	50	30		IEEAMN
CCCn1c(NN=C2c3ccccc3C(=O)c3ccccc32)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008892077	556230682	/nfs/dbraw/zinc/23/06/82/556230682.db2.gz	MQGPHUPSCRJMSY-UHFFFAOYSA-N	0	1	428.452	2.242	50	30		IEEAMN
COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OCC#N)cc1Br	ZINC000013914599	556332180	/nfs/dbraw/zinc/33/21/80/556332180.db2.gz	BOQNJVYOHFZZDD-CQSZACIVSA-N	0	1	426.292	2.326	50	30		IEEAMN
COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)c(OCC#N)cc1Br	ZINC000013914600	556332187	/nfs/dbraw/zinc/33/21/87/556332187.db2.gz	BOQNJVYOHFZZDD-AWEZNQCLSA-N	0	1	426.292	2.326	50	30		IEEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102741217	557376029	/nfs/dbraw/zinc/37/60/29/557376029.db2.gz	JVJIUFKPEUHREJ-NHFXJNLRSA-N	0	1	440.500	2.094	50	30		IEEAMN
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(CC)CC2)SC1=S	ZINC000033436996	557397649	/nfs/dbraw/zinc/39/76/49/557397649.db2.gz	IWLPHXNGRGBGJQ-SFQUDFHCSA-N	0	1	445.614	2.319	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1C	ZINC000102857627	557399203	/nfs/dbraw/zinc/39/92/03/557399203.db2.gz	NDJKSXUAQBCRIF-MRJHHRETSA-N	0	1	437.496	2.153	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1C	ZINC000102861713	557402239	/nfs/dbraw/zinc/40/22/39/557402239.db2.gz	XUMLHYPVHUKNGB-WENBPLFZSA-N	0	1	425.485	2.401	50	30		IEEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1C	ZINC000102861713	557402242	/nfs/dbraw/zinc/40/22/42/557402242.db2.gz	XUMLHYPVHUKNGB-WENBPLFZSA-N	0	1	425.485	2.401	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1C	ZINC000102862612	557403182	/nfs/dbraw/zinc/40/31/82/557403182.db2.gz	FPAWBGGEXJFZQJ-ZMESVYRVSA-N	0	1	440.500	2.187	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1C	ZINC000102929922	557413688	/nfs/dbraw/zinc/41/36/88/557413688.db2.gz	HGZTWEKBLIAURB-CQGUWYRNSA-N	0	1	429.473	2.385	50	30		IEEAMN
C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@@]21c2cc(Br)ccc2NC1=O	ZINC000015971967	568861542	/nfs/dbraw/zinc/86/15/42/568861542.db2.gz	CYWYHXSWNLSWEA-QOIOWGMHSA-N	0	1	432.318	2.402	50	30		IEEAMN
COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1	ZINC000009244950	568879596	/nfs/dbraw/zinc/87/95/96/568879596.db2.gz	UZQXPMJVDQXMCK-IVXVGSNXSA-N	0	1	427.482	2.398	50	30		IEEAMN
COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1	ZINC000009244950	568879599	/nfs/dbraw/zinc/87/95/99/568879599.db2.gz	UZQXPMJVDQXMCK-IVXVGSNXSA-N	0	1	427.482	2.398	50	30		IEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c(O)c1	ZINC000020309576	569359914	/nfs/dbraw/zinc/35/99/14/569359914.db2.gz	KTARTIQPFUBZMW-IBGZPJMESA-N	0	1	444.509	2.373	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(F)cc1	ZINC000009437137	569534967	/nfs/dbraw/zinc/53/49/67/569534967.db2.gz	LIBCPKOLKWDYHL-GOSISDBHSA-N	0	1	430.388	2.321	50	30		IEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(F)cc1	ZINC000009437140	569534978	/nfs/dbraw/zinc/53/49/78/569534978.db2.gz	LIBCPKOLKWDYHL-SFHVURJKSA-N	0	1	430.388	2.321	50	30		IEEAMN
C#CCN1c2ccc(C)cc2[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O	ZINC000095475612	518270660	/nfs/dbraw/zinc/27/06/60/518270660.db2.gz	BFDBFKWPOVNVDY-QHCPKHFHSA-N	0	1	438.451	2.413	50	30		IEEAMN
Cc1c(NC(=S)NN=Cc2ccc([N+](=O)[O-])cc2O)c(=O)n(-c2ccccc2)n1C	ZINC000013655675	525864781	/nfs/dbraw/zinc/86/47/81/525864781.db2.gz	SNBQUQGFAGSHDO-RGVLZGJSSA-N	0	1	426.458	2.419	50	30		IEEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102890381	525981367	/nfs/dbraw/zinc/98/13/67/525981367.db2.gz	BLZOSXNEUAYKAC-WOOAAIBNSA-N	0	1	426.425	2.334	50	30		IEEAMN
Oc1c(I)cc(I)cc1/C=N/n1cnnc1	ZINC000009034252	526330444	/nfs/dbraw/zinc/33/04/44/526330444.db2.gz	UVVONDVEIXSCOF-LZWSPWQCSA-N	0	1	439.982	2.075	50	30		IEEAMN
N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1	ZINC000003267791	526505786	/nfs/dbraw/zinc/50/57/86/526505786.db2.gz	SUQAPMQAFSXFIK-SFHVURJKSA-N	0	1	428.496	2.255	50	30		IEEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)ccc2O1	ZINC000000703251	555543642	/nfs/dbraw/zinc/54/36/42/555543642.db2.gz	LDRDJMWJCWWXIL-OPAMFIHVSA-N	0	1	449.507	2.316	50	30		IEEAMN
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000002285247	555765531	/nfs/dbraw/zinc/76/55/31/555765531.db2.gz	GEYRYXFGXRVKNK-IBGZPJMESA-N	0	1	448.502	2.465	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1F	ZINC000008951787	556235795	/nfs/dbraw/zinc/23/57/95/556235795.db2.gz	ROMZUSJNJWXLKR-FQEVSTJZSA-N	0	1	441.459	2.140	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000013725046	556719400	/nfs/dbraw/zinc/71/94/00/556719400.db2.gz	GYLALTIDJHDTON-FQEVSTJZSA-N	0	1	442.516	2.194	50	30		IEEAMN
NC(=NN=Cc1ccc([N+](=O)[O-])cc1)Sc1cc(O)n(-c2cccc([N+](=O)[O-])c2)c1O	ZINC000006974919	556840943	/nfs/dbraw/zinc/84/09/43/556840943.db2.gz	PMBSXYGZNLOCFS-IXJMWADBSA-N	0	1	442.413	2.217	50	30		IEEAMN
C=CCOc1c(I)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC	ZINC000098087071	557123477	/nfs/dbraw/zinc/12/34/77/557123477.db2.gz	XYGXXCBBNLNNHK-UHFFFAOYSA-N	0	1	442.209	2.004	50	30		IEEAMN
CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC=C1C(=O)NC(=O)NC1=O	ZINC000101436774	557285318	/nfs/dbraw/zinc/28/53/18/557285318.db2.gz	OMTGRSZQGCQFCZ-ODCIPOBUSA-N	0	1	445.453	2.294	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102556809	557358593	/nfs/dbraw/zinc/35/85/93/557358593.db2.gz	PKDICXNFWSMQGB-WOOAAIBNSA-N	0	1	442.424	2.034	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102732945	557372014	/nfs/dbraw/zinc/37/20/14/557372014.db2.gz	VSMIDZVEFSJVQX-MRJHHRETSA-N	0	1	438.480	2.450	50	30		IEEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102742196	557376586	/nfs/dbraw/zinc/37/65/86/557376586.db2.gz	CFOVIXIDBJMZOK-LFVOPCPISA-N	0	1	442.516	2.037	50	30		IEEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102751799	557383162	/nfs/dbraw/zinc/38/31/62/557383162.db2.gz	FJDLDDGPYCZDBQ-YDJIHCHBSA-N	0	1	442.516	2.037	50	30		IEEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102890379	557405354	/nfs/dbraw/zinc/40/53/54/557405354.db2.gz	BLZOSXNEUAYKAC-LFVOPCPISA-N	0	1	426.425	2.334	50	30		IEEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc(O)c2)cc1	ZINC000102884701	557409129	/nfs/dbraw/zinc/40/91/29/557409129.db2.gz	FQWWWTGZUZQDJN-NHFXJNLRSA-N	0	1	427.453	2.222	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102886012	557409375	/nfs/dbraw/zinc/40/93/75/557409375.db2.gz	BQDMFRTUBXPGJS-LFVOPCPISA-N	0	1	442.424	2.034	50	30		IEEAMN
C=CCn1c(CSc2nc(N)cc(N)n2)nnc1SCC(=O)NC1CCCCC1	ZINC000006147831	568806014	/nfs/dbraw/zinc/80/60/14/568806014.db2.gz	FKIICHHCTJFZBJ-UHFFFAOYSA-N	0	1	434.595	2.252	50	30		IEEAMN
C=CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000009427244	568818993	/nfs/dbraw/zinc/81/89/93/568818993.db2.gz	KCMGSEWCCJOALS-MRXNPFEDSA-N	0	1	445.457	2.470	50	30		IEEAMN
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1c(F)cccc1F)C2	ZINC000014539089	568826426	/nfs/dbraw/zinc/82/64/26/568826426.db2.gz	YCAKHDLDTFSYPH-MRXNPFEDSA-N	0	1	429.515	2.382	50	30		IEEAMN
C[C@@H]1C[C@@H](C)CN(C(=O)c2c[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c2=O)C1	ZINC000006296591	568882356	/nfs/dbraw/zinc/88/23/56/568882356.db2.gz	JHPBHRPXXTWBEB-HUUCEWRRSA-N	0	1	430.530	2.180	50	30		IEEAMN
CC(C)Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000253531499	569283958	/nfs/dbraw/zinc/28/39/58/569283958.db2.gz	BJJBVQPBSKSDES-UHFFFAOYSA-N	0	1	435.282	2.406	50	30		IEEAMN
Oc1c(I)cc(I)cc1C=Nc1cn[nH]n1	ZINC000008951352	569489863	/nfs/dbraw/zinc/48/98/63/569489863.db2.gz	PZHLCQVUIMADAE-KGVSQERTSA-N	0	1	439.982	2.470	50	30		IEEAMN
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000009302117	569520757	/nfs/dbraw/zinc/52/07/57/569520757.db2.gz	HYCZGOVZKMNNBH-GHNGSUTGSA-N	0	1	430.457	2.289	50	30		IEEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009470148	569538834	/nfs/dbraw/zinc/53/88/34/569538834.db2.gz	ZRLMIGZJDHBLQW-LJQANCHMSA-N	0	1	426.425	2.490	50	30		IEEAMN
C#CCN1C(=O)[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cccc(C)c21	ZINC000095472506	518266752	/nfs/dbraw/zinc/26/67/52/518266752.db2.gz	DQSGFRFMQSKXTE-HSZRJFAPSA-N	0	1	438.451	2.413	50	30		IEEAMN
C#CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCSCC1	ZINC000036249944	518307426	/nfs/dbraw/zinc/30/74/26/518307426.db2.gz	HKQOIUFUIQMQQH-HXUWFJFHSA-N	0	1	445.585	2.354	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000020677286	525224318	/nfs/dbraw/zinc/22/43/18/525224318.db2.gz	LXHYEKMUTULDLE-HXUWFJFHSA-N	0	1	440.500	2.251	50	30		IEEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000013684766	527607851	/nfs/dbraw/zinc/60/78/51/527607851.db2.gz	IUMOPESCVWHCFF-FQEVSTJZSA-N	0	1	442.491	2.087	50	30		IEEAMN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1	ZINC000017251526	556674200	/nfs/dbraw/zinc/67/42/00/556674200.db2.gz	CEMKKXYPSZJDSX-LJQANCHMSA-N	0	1	444.509	2.162	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000013724380	556719342	/nfs/dbraw/zinc/71/93/42/556719342.db2.gz	UFYGVMJAGQXQLJ-IBGZPJMESA-N	0	1	442.516	2.194	50	30		IEEAMN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCN(C)C	ZINC000024192975	557140513	/nfs/dbraw/zinc/14/05/13/557140513.db2.gz	WZPQMIAYVFWQQL-RUZDIDTESA-N	0	1	449.507	2.356	50	30		IEEAMN
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(CCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000025540156	557213714	/nfs/dbraw/zinc/21/37/14/557213714.db2.gz	PSFYVTGDPMBSLG-OEAKJJBVSA-N	0	1	447.455	2.031	50	30		IEEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102716140	557375028	/nfs/dbraw/zinc/37/50/28/557375028.db2.gz	HITKLSXATNTMCT-NHFXJNLRSA-N	0	1	438.480	2.465	50	30		IEEAMN
COc1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102746414	557378494	/nfs/dbraw/zinc/37/84/94/557378494.db2.gz	HBZIAYRICOFCSG-YDJIHCHBSA-N	0	1	440.500	2.094	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1C	ZINC000102864069	557403506	/nfs/dbraw/zinc/40/35/06/557403506.db2.gz	NGSUQVYOVGDNHG-MRJHHRETSA-N	0	1	437.496	2.153	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1C	ZINC000102864073	557403533	/nfs/dbraw/zinc/40/35/33/557403533.db2.gz	NGSUQVYOVGDNHG-JBCNATCCSA-N	0	1	437.496	2.153	50	30		IEEAMN
Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102890939	557405397	/nfs/dbraw/zinc/40/53/97/557405397.db2.gz	UOKOTSHUAYUGHY-WOOAAIBNSA-N	0	1	426.425	2.334	50	30		IEEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(F)c1	ZINC000102898046	557411197	/nfs/dbraw/zinc/41/11/97/557411197.db2.gz	OUDJQVDXHIZPDA-GHNGSUTGSA-N	0	1	430.388	2.165	50	30		IEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c(O)c1	ZINC000020309574	569359791	/nfs/dbraw/zinc/35/97/91/569359791.db2.gz	KTARTIQPFUBZMW-LJQANCHMSA-N	0	1	444.509	2.373	50	30		IEEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C	ZINC000254492411	569376968	/nfs/dbraw/zinc/37/69/68/569376968.db2.gz	UXMNTIQAECHWQO-UHFFFAOYSA-N	0	1	449.309	2.232	50	30		IEEAMN
CCCCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O	ZINC000003045715	569438619	/nfs/dbraw/zinc/43/86/19/569438619.db2.gz	UBMOCKAVTMYMHL-UHFFFAOYSA-N	0	1	435.546	2.249	50	30		IEEAMN
CN(C)c1ccc(C=[NH+]NC(=N)S[C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000022612123	522136474	/nfs/dbraw/zinc/13/64/74/522136474.db2.gz	KXMOXSOZVRRMQX-FZJZADEZSA-N	0	1	439.497	2.374	50	30		IEEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000013684762	527606267	/nfs/dbraw/zinc/60/62/67/527606267.db2.gz	IUMOPESCVWHCFF-HXUWFJFHSA-N	0	1	442.491	2.087	50	30		IEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c(C)c1	ZINC000008900070	556231386	/nfs/dbraw/zinc/23/13/86/556231386.db2.gz	LYKIJTIDDKRLCO-NRFANRHFSA-N	0	1	437.496	2.309	50	30		IEEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013730476	556720554	/nfs/dbraw/zinc/72/05/54/556720554.db2.gz	GPKDHRMQKUXRAY-LJQANCHMSA-N	0	1	438.484	2.020	50	30		IEEAMN
CCOC(=O)C1=C(CN2CCN(CCC#N)CC2)NC(=O)N[C@H]1c1cc(C)ccc1C	ZINC000019359581	556745560	/nfs/dbraw/zinc/74/55/60/556745560.db2.gz	NQLHADYDEXJROR-NRFANRHFSA-N	0	1	425.533	2.006	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1	ZINC000102483058	557330573	/nfs/dbraw/zinc/33/05/73/557330573.db2.gz	BPHSBXKFVTWSRF-WOOAAIBNSA-N	0	1	427.888	2.489	50	30		IEEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102741018	557375924	/nfs/dbraw/zinc/37/59/24/557375924.db2.gz	LXTLCSAGVIJNRW-WOOAAIBNSA-N	0	1	428.489	2.027	50	30		IEEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)cc1	ZINC000102884702	557409133	/nfs/dbraw/zinc/40/91/33/557409133.db2.gz	FQWWWTGZUZQDJN-YDJIHCHBSA-N	0	1	427.453	2.222	50	30		IEEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1C	ZINC000004039387	562941262	/nfs/dbraw/zinc/94/12/62/562941262.db2.gz	WWGCOWUUSPGSLG-LJQANCHMSA-N	0	1	440.500	2.343	50	30		IEEAMN
C=CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000009427243	568818868	/nfs/dbraw/zinc/81/88/68/568818868.db2.gz	KCMGSEWCCJOALS-INIZCTEOSA-N	0	1	445.457	2.470	50	30		IEEAMN
C=CCOc1ccccc1CN1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1	ZINC000014965795	568827827	/nfs/dbraw/zinc/82/78/27/568827827.db2.gz	DPIDPORRTABEJH-FQEVSTJZSA-N	0	1	433.578	2.148	50	30		IEEAMN
C#CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000217628222	568883425	/nfs/dbraw/zinc/88/34/25/568883425.db2.gz	NIBUEQGREKBPNM-XYHMEGALSA-N	0	1	445.544	2.392	50	30		IEEAMN
Oc1c(I)cc(I)cc1C=Nn1cnnc1	ZINC000250762930	569157486	/nfs/dbraw/zinc/15/74/86/569157486.db2.gz	UVVONDVEIXSCOF-UHFFFAOYSA-N	0	1	439.982	2.075	50	30		IEEAMN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1	ZINC000009046651	569498354	/nfs/dbraw/zinc/49/83/54/569498354.db2.gz	VBTRECJNTOSBTP-LFVOPCPISA-N	0	1	427.888	2.489	50	30		IEEAMN
COc1cccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)c1	ZINC000009425176	569533120	/nfs/dbraw/zinc/53/31/20/569533120.db2.gz	PAJBWYUJTFGFRS-IBGZPJMESA-N	0	1	442.424	2.191	50	30		IEEAMN