smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@]12CCN(Cc3cc(C#N)n(C)c3C)[C@H]1C[C@H](Oc1ccccn1)CC2	ZINC000426550721	231240140	/nfs/dbraw/zinc/24/01/40/231240140.db2.gz	ZUDAVPJCVNWXGX-RZUBCFFCSA-N	0	3	380.492	3.191	50	30		GGEAHN
Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1cc(N(C)C)nc(N(C)C)n1	ZINC000004511945	204050212	/nfs/dbraw/zinc/05/02/12/204050212.db2.gz	YVNJTBWXNKGUHT-CIAFOILYSA-N	0	3	398.902	3.202	50	30		GGEAHN
N#Cc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1	ZINC000004682112	204062618	/nfs/dbraw/zinc/06/26/18/204062618.db2.gz	ODEZHCOYHDWPRU-UHFFFAOYSA-N	0	3	388.515	3.119	50	30		GGEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1	ZINC000006812703	204211911	/nfs/dbraw/zinc/21/19/11/204211911.db2.gz	YOGJSJCRYYHUKQ-NHFXJNLRSA-N	0	3	390.439	3.416	50	30		GGEAHN
N#Cc1c2c(c(N3CCOCC3)nc1SCCN1CCCCC1)CCCC2	ZINC000006755073	204200515	/nfs/dbraw/zinc/20/05/15/204200515.db2.gz	OAPSROBCBLKVGC-UHFFFAOYSA-N	0	3	386.565	3.247	50	30		GGEAHN
N#Cc1ccccc1CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1	ZINC000072161284	205312456	/nfs/dbraw/zinc/31/24/56/205312456.db2.gz	USVUXAOUZRVRAW-AGILITTLSA-N	0	3	387.483	3.349	50	30		GGEAHN
Cc1c(CN2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C#N)n1C	ZINC000072425025	205349082	/nfs/dbraw/zinc/34/90/82/205349082.db2.gz	RCYZUIYWJLAGPM-HSZRJFAPSA-N	0	3	391.519	3.005	50	30		GGEAHN
N#Cc1cccc(N2CCN(Cc3ccc(CN4CCCC4)s3)CC2=O)c1	ZINC000082156822	136174159	/nfs/dbraw/zinc/17/41/59/136174159.db2.gz	JZHNJAIYZBNLRH-UHFFFAOYSA-N	0	3	380.517	3.064	50	30		GGEAHN
N#Cc1ccnc(N2CCC(NCc3cnn(-c4cccc(F)c4)c3)CC2)c1	ZINC000095501318	136179880	/nfs/dbraw/zinc/17/98/80/136179880.db2.gz	QCMBEZQERZDJCK-UHFFFAOYSA-N	0	3	376.439	3.037	50	30		GGEAHN
C#CCN(CC=C)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1	ZINC000012703572	518257478	/nfs/dbraw/zinc/25/74/78/518257478.db2.gz	QMSHCVYVXFNLPC-XMMPIXPASA-N	0	3	390.527	3.106	50	30		GGEAHN
C#CCN(CC=C)Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1	ZINC000012703577	518257612	/nfs/dbraw/zinc/25/76/12/518257612.db2.gz	QMSHCVYVXFNLPC-DEOSSOPVSA-N	0	3	390.527	3.106	50	30		GGEAHN
C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@H]3CCCN3CC)c(=O)oc2c1	ZINC000013655661	518614729	/nfs/dbraw/zinc/61/47/29/518614729.db2.gz	VTPSCOFQFUMNLP-QGZVFWFLSA-N	0	3	398.503	3.199	50	30		GGEAHN
C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCCN3CC)c(=O)oc2c1	ZINC000013655663	518615854	/nfs/dbraw/zinc/61/58/54/518615854.db2.gz	VTPSCOFQFUMNLP-KRWDZBQOSA-N	0	3	398.503	3.199	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1	ZINC000014878798	519331493	/nfs/dbraw/zinc/33/14/93/519331493.db2.gz	FTGHPONZYLVJCZ-UHFFFAOYSA-N	0	3	386.499	3.126	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000019771892	520659253	/nfs/dbraw/zinc/65/92/53/520659253.db2.gz	HTGKSGHZMOSMCK-MRXNPFEDSA-N	0	3	395.297	3.075	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1	ZINC000020229938	520660012	/nfs/dbraw/zinc/66/00/12/520660012.db2.gz	GQKYUWQLUGQTSE-IBGZPJMESA-N	0	3	379.460	3.002	50	30		GGEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019958183	521238080	/nfs/dbraw/zinc/23/80/80/521238080.db2.gz	BDNQMWVDCOENNP-LJQANCHMSA-N	0	3	398.459	3.208	50	30		GGEAHN
CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055119749	521353071	/nfs/dbraw/zinc/35/30/71/521353071.db2.gz	ODPVDKRHPHYGOC-NRFANRHFSA-N	0	3	393.549	3.052	50	30		GGEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000019885559	523553875	/nfs/dbraw/zinc/55/38/75/523553875.db2.gz	UNBIBILYAGAVAZ-HXUWFJFHSA-N	0	3	394.471	3.225	50	30		GGEAHN
CN1C[C@@]2(CCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)OC1=O	ZINC000072158205	524018895	/nfs/dbraw/zinc/01/88/95/524018895.db2.gz	GYLOHHXYNKNHDM-JOCHJYFZSA-N	0	3	375.472	3.413	50	30		GGEAHN
CN1C[C@]2(CCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)OC1=O	ZINC000072158206	524027096	/nfs/dbraw/zinc/02/70/96/524027096.db2.gz	GYLOHHXYNKNHDM-QFIPXVFZSA-N	0	3	375.472	3.413	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1	ZINC000005445150	524053982	/nfs/dbraw/zinc/05/39/82/524053982.db2.gz	FIYXPFFTAUULMA-GROYHEBESA-N	0	3	388.851	3.306	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000102877020	524054000	/nfs/dbraw/zinc/05/40/00/524054000.db2.gz	JPMZOBZZCOAZET-SELCWUDQSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000102736479	524054248	/nfs/dbraw/zinc/05/42/48/524054248.db2.gz	LCDJTGCXXOBNBJ-LFVOPCPISA-N	0	3	393.443	3.134	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1	ZINC000019882940	524054803	/nfs/dbraw/zinc/05/48/03/524054803.db2.gz	GLWMXESOXCOTNY-SFHVURJKSA-N	0	3	399.878	3.265	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1	ZINC000019582256	524054827	/nfs/dbraw/zinc/05/48/27/524054827.db2.gz	DHPIWVVOYOAVLM-KRWDZBQOSA-N	0	3	388.464	3.417	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1	ZINC000019582259	524055038	/nfs/dbraw/zinc/05/50/38/524055038.db2.gz	DHPIWVVOYOAVLM-QGZVFWFLSA-N	0	3	388.464	3.417	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F	ZINC000019582309	524055859	/nfs/dbraw/zinc/05/58/59/524055859.db2.gz	COWMJEWMZQJMMP-KRWDZBQOSA-N	0	3	388.464	3.417	50	30		GGEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020029552	524107739	/nfs/dbraw/zinc/10/77/39/524107739.db2.gz	HQCCQAYOUQUWSA-LJQANCHMSA-N	0	3	398.459	3.127	50	30		GGEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000013551157	524171766	/nfs/dbraw/zinc/17/17/66/524171766.db2.gz	QQRMQXIIRFVHRX-FQEVSTJZSA-N	0	3	394.471	3.144	50	30		GGEAHN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020025262	525390169	/nfs/dbraw/zinc/39/01/69/525390169.db2.gz	QKICSLINYRLUNT-FQEVSTJZSA-N	0	3	394.471	3.225	50	30		GGEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)s1	ZINC000102928348	526687917	/nfs/dbraw/zinc/68/79/17/526687917.db2.gz	QHGNPKPTSPJATD-HVESIFNPSA-N	0	3	399.516	3.133	50	30		GGEAHN
O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNC[C@@H]1NCCc2ccccc21	ZINC000100146721	526961875	/nfs/dbraw/zinc/96/18/75/526961875.db2.gz	KSEUZXVMUSLZRQ-LFABVHOISA-N	0	3	378.447	3.202	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccco1)C2	ZINC000014541232	527390312	/nfs/dbraw/zinc/39/03/12/527390312.db2.gz	XUOWTDKPKHJXJV-KRWDZBQOSA-N	0	3	382.508	3.325	50	30		GGEAHN
C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1	ZINC000014747206	527646755	/nfs/dbraw/zinc/64/67/55/527646755.db2.gz	QOUGAUJKXCGTIB-GOSISDBHSA-N	0	3	382.508	3.300	50	30		GGEAHN
OCCC#Cc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1	ZINC000011872897	570233969	/nfs/dbraw/zinc/23/39/69/570233969.db2.gz	WTJCSMZUGDPTTJ-XMMPIXPASA-N	0	3	381.491	3.377	50	30		GGEAHN
OCCC#Cc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1	ZINC000011872898	570233980	/nfs/dbraw/zinc/23/39/80/570233980.db2.gz	WTJCSMZUGDPTTJ-DEOSSOPVSA-N	0	3	381.491	3.377	50	30		GGEAHN
C=CCOc1ccccc1CN1CCC(CCC(=O)N2CCN(CC)CC2)CC1	ZINC000011933283	570234616	/nfs/dbraw/zinc/23/46/16/570234616.db2.gz	PIKPMBIJTVCBRT-UHFFFAOYSA-N	0	3	399.579	3.408	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)cc1	ZINC000012301900	570236367	/nfs/dbraw/zinc/23/63/67/570236367.db2.gz	JUOUJINCXCCZCX-QHCPKHFHSA-N	0	3	390.527	3.246	50	30		GGEAHN
C=CCCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000012300584	570236402	/nfs/dbraw/zinc/23/64/02/570236402.db2.gz	DXQIYTNAPIDGBW-LJQANCHMSA-N	0	3	375.532	3.394	50	30		GGEAHN
C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1	ZINC000014742860	570245747	/nfs/dbraw/zinc/24/57/47/570245747.db2.gz	HLWODXNFWNCSTH-IBGZPJMESA-N	0	3	378.520	3.017	50	30		GGEAHN
C=CCOc1ccccc1CN1CCN(CCc2ccccc2)[C@H](CCO)C1	ZINC000020869472	570284048	/nfs/dbraw/zinc/28/40/48/570284048.db2.gz	HSJMYZPDTFLVHG-HSZRJFAPSA-N	0	3	380.532	3.363	50	30		GGEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000008744054	570539402	/nfs/dbraw/zinc/53/94/02/570539402.db2.gz	XRCSMICDNNDHAK-WOOAAIBNSA-N	0	3	398.459	3.052	50	30		GGEAHN
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000006813228	570616983	/nfs/dbraw/zinc/61/69/83/570616983.db2.gz	FQOCGZPWYAWRND-GHNGSUTGSA-N	0	3	384.501	3.430	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccn1	ZINC000005799437	570693069	/nfs/dbraw/zinc/69/30/69/570693069.db2.gz	ZFKIUIYNAKCWIY-YDJIHCHBSA-N	0	3	393.487	3.154	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	ZINC000005799858	570693091	/nfs/dbraw/zinc/69/30/91/570693091.db2.gz	FEQWVPRQZDROBB-WOOAAIBNSA-N	0	3	382.435	3.199	50	30		GGEAHN
N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2(N3CCCC3)CCCCC2)cc1	ZINC000222999046	570950057	/nfs/dbraw/zinc/95/00/57/570950057.db2.gz	XZMIDNUUZDKWNC-NHCUHLMSSA-N	0	3	397.519	3.009	50	30		GGEAHN
O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccc(C#CCCO)cc3)N3CCC[C@@]123	ZINC000012716576	1399055649	/nfs/dbraw/zinc/05/56/49/1399055649.db2.gz	LMHZRPBNMRLGKW-RSEQLOHWSA-N	0	3	386.495	3.363	50	30		GGEAHN
N#Cc1cccc(CN2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)c1	ZINC000091876981	1410089211	/nfs/dbraw/zinc/08/92/11/1410089211.db2.gz	GGWYIOBNTXXPLI-UHFFFAOYSA-N	0	3	388.515	3.401	50	30		GGEAHN
COc1ccc([C@@H]2CN(C(=O)c3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)cc1	ZINC000095354823	1410310010	/nfs/dbraw/zinc/31/00/10/1410310010.db2.gz	DQZUEOQHHLJVMO-YTFSRNRJSA-N	0	3	387.483	3.269	50	30		GGEAHN
CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccccc2C#N)cc1	ZINC000426387881	231211977	/nfs/dbraw/zinc/21/19/77/231211977.db2.gz	OKEWFVZWHFMORP-NRFANRHFSA-N	0	3	377.488	3.408	50	30		GGEAHN
Cc1cnc(CN2C[C@@]3(CCCN(Cc4cccc(C#N)c4)C3)CCC2=O)cn1	ZINC000091585588	208125965	/nfs/dbraw/zinc/12/59/65/208125965.db2.gz	KSDQVAXNEJIEJR-QHCPKHFHSA-N	0	3	389.503	3.062	50	30		GGEAHN
Cc1noc(C)c1CN1CC2(CC1=O)CCN(Cc1cccc(C#N)c1)CC2	ZINC000091621446	208126745	/nfs/dbraw/zinc/12/67/45/208126745.db2.gz	PCOVBLKJGIGJBT-UHFFFAOYSA-N	0	3	378.476	3.178	50	30		GGEAHN
N#Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)cc1	ZINC000091656861	208128213	/nfs/dbraw/zinc/12/82/13/208128213.db2.gz	AYHLZWHQNWCQIJ-XMMPIXPASA-N	0	3	388.515	3.401	50	30		GGEAHN
CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(C#N)c1)CC2	ZINC000091391354	208116560	/nfs/dbraw/zinc/11/65/60/208116560.db2.gz	AEQQIIUVFYKPFH-UHFFFAOYSA-N	0	3	377.492	3.071	50	30		GGEAHN
COc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1	ZINC000095375858	208169111	/nfs/dbraw/zinc/16/91/11/208169111.db2.gz	CIYWZNZLDZZILI-YTFSRNRJSA-N	0	3	387.483	3.269	50	30		GGEAHN
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CNCC(C)(C)OC)c1=O	ZINC000014987279	518652791	/nfs/dbraw/zinc/65/27/91/518652791.db2.gz	YWHBMRASALDNPK-UHFFFAOYSA-N	0	3	394.899	3.286	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1	ZINC000008915064	520654769	/nfs/dbraw/zinc/65/47/69/520654769.db2.gz	GOPGFZACETVVNF-WOOAAIBNSA-N	0	3	398.459	3.052	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000020229348	520657505	/nfs/dbraw/zinc/65/75/05/520657505.db2.gz	GGCVFDQIQFXQEN-LJQANCHMSA-N	0	3	397.450	3.141	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1	ZINC000013127732	520658005	/nfs/dbraw/zinc/65/80/05/520658005.db2.gz	RTEVBHWQNNDLIP-HXUWFJFHSA-N	0	3	393.487	3.310	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000019882187	520659644	/nfs/dbraw/zinc/65/96/44/520659644.db2.gz	FCZVCRIIUFBHNH-LJQANCHMSA-N	0	3	397.450	3.141	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1	ZINC000013127186	520660704	/nfs/dbraw/zinc/66/07/04/520660704.db2.gz	SFIHHWSGLJCCGL-IBGZPJMESA-N	0	3	379.460	3.002	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccco1	ZINC000019973954	520660974	/nfs/dbraw/zinc/66/09/74/520660974.db2.gz	MXKHKAXOPSTYFH-LJQANCHMSA-N	0	3	398.459	3.208	50	30		GGEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C	ZINC000000922152	523555671	/nfs/dbraw/zinc/55/56/71/523555671.db2.gz	ZNOJYBXWPRYWQY-HXUWFJFHSA-N	0	3	394.471	3.144	50	30		GGEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C	ZINC000000922148	523557200	/nfs/dbraw/zinc/55/72/00/523557200.db2.gz	ZNOJYBXWPRYWQY-FQEVSTJZSA-N	0	3	394.471	3.144	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1	ZINC000004427659	524054236	/nfs/dbraw/zinc/05/42/36/524054236.db2.gz	BZDFWUTYSXPHCN-LFVOPCPISA-N	0	3	394.427	3.399	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000019996917	524054580	/nfs/dbraw/zinc/05/45/80/524054580.db2.gz	QVOQZFMRFSUICF-IBGZPJMESA-N	0	3	382.435	3.356	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000019928023	524055146	/nfs/dbraw/zinc/05/51/46/524055146.db2.gz	MXGPFDDZSKCYQI-GOSISDBHSA-N	0	3	399.878	3.265	50	30		GGEAHN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000019809166	524170324	/nfs/dbraw/zinc/17/03/24/524170324.db2.gz	DTZUDMFELLMWOT-FQEVSTJZSA-N	0	3	394.471	3.225	50	30		GGEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020029551	524170826	/nfs/dbraw/zinc/17/08/26/524170826.db2.gz	HQCCQAYOUQUWSA-IBGZPJMESA-N	0	3	398.459	3.127	50	30		GGEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1	ZINC000020131610	525782271	/nfs/dbraw/zinc/78/22/71/525782271.db2.gz	NKDFJENFYVQRNQ-FQEVSTJZSA-N	0	3	394.471	3.225	50	30		GGEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1	ZINC000020131606	525782900	/nfs/dbraw/zinc/78/29/00/525782900.db2.gz	NKDFJENFYVQRNQ-HXUWFJFHSA-N	0	3	394.471	3.225	50	30		GGEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000102861628	525786268	/nfs/dbraw/zinc/78/62/68/525786268.db2.gz	BOFMYSDDYPHTKG-LFVOPCPISA-N	0	3	382.460	3.270	50	30		GGEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000019927957	525791250	/nfs/dbraw/zinc/79/12/50/525791250.db2.gz	VRTXEZVGPJRUQS-GOSISDBHSA-N	0	3	386.423	3.257	50	30		GGEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000102861626	525980150	/nfs/dbraw/zinc/98/01/50/525980150.db2.gz	BOFMYSDDYPHTKG-WOOAAIBNSA-N	0	3	382.460	3.270	50	30		GGEAHN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000004311306	525981215	/nfs/dbraw/zinc/98/12/15/525981215.db2.gz	IVUNTGRYZAUMEI-NHFXJNLRSA-N	0	3	378.472	3.368	50	30		GGEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)s1	ZINC000102928349	526688744	/nfs/dbraw/zinc/68/87/44/526688744.db2.gz	QHGNPKPTSPJATD-GROYHEBESA-N	0	3	399.516	3.133	50	30		GGEAHN
OCC#Cc1csc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1	ZINC000055100234	527520803	/nfs/dbraw/zinc/52/08/03/527520803.db2.gz	UGSLMXUYCCSZSH-MRXNPFEDSA-N	0	3	383.542	3.460	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccco1)C2	ZINC000014541233	570244739	/nfs/dbraw/zinc/24/47/39/570244739.db2.gz	XUOWTDKPKHJXJV-QGZVFWFLSA-N	0	3	382.508	3.325	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1	ZINC000020188631	570246525	/nfs/dbraw/zinc/24/65/25/570246525.db2.gz	TUMDRVKSAXRRKN-LJQANCHMSA-N	0	3	398.459	3.208	50	30		GGEAHN
CN(CCc1ccccn1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12	ZINC000035361884	570344576	/nfs/dbraw/zinc/34/45/76/570344576.db2.gz	JMHALWDHIFYNGT-OBGHECQKSA-N	0	3	384.520	3.083	50	30	biogenic	GGEAHN
Cn1cnc2cc(-n3cc(O)c(-c4nc(-c5ccccc5)cs4)c3N)ccc21	ZINC000604419527	570363496	/nfs/dbraw/zinc/36/34/96/570363496.db2.gz	ISSCLESSQKRSBA-UHFFFAOYSA-N	0	3	387.468	3.413	50	30		GGEAHN
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc([N+](=O)[O-])o1	ZINC000008973454	570544943	/nfs/dbraw/zinc/54/49/43/570544943.db2.gz	IRHHSNUCBXCDDE-INIZCTEOSA-N	0	3	380.356	3.319	50	30		GGEAHN
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc([N+](=O)[O-])o1	ZINC000008973453	570545034	/nfs/dbraw/zinc/54/50/34/570545034.db2.gz	IRHHSNUCBXCDDE-MRXNPFEDSA-N	0	3	380.356	3.319	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000005799821	570692860	/nfs/dbraw/zinc/69/28/60/570692860.db2.gz	ANFMLFUCDSSCJU-LFVOPCPISA-N	0	3	382.435	3.199	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccco1	ZINC000005799469	570693084	/nfs/dbraw/zinc/69/30/84/570693084.db2.gz	BTVUGMWHUMILQE-WOOAAIBNSA-N	0	3	382.460	3.352	50	30		GGEAHN
COc1cccc2cc(-c3csc(NN=C4CCN(C)CC4)n3)c(=O)oc21	ZINC000004539589	570851530	/nfs/dbraw/zinc/85/15/30/570851530.db2.gz	ULHCMXYNHAOHDF-UHFFFAOYSA-N	0	3	384.461	3.419	50	30		GGEAHN
COc1ccc(C(=O)N2CCC(C#N)CC2)cc1OC1CCN(C(C)C)CC1	ZINC000095525688	571090751	/nfs/dbraw/zinc/09/07/51/571090751.db2.gz	KJACSKSPMLKXDT-UHFFFAOYSA-N	0	3	385.508	3.323	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000013127718	210051890	/nfs/dbraw/zinc/05/18/90/210051890.db2.gz	UZTBPMGMTYSIOU-LJQANCHMSA-N	0	3	397.450	3.141	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1cccnc1)C2	ZINC000014745972	209166876	/nfs/dbraw/zinc/16/68/76/209166876.db2.gz	FZEVQMHIPGWCPT-IBGZPJMESA-N	0	3	393.535	3.127	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCC(=O)N(Cc3cccc(F)c3)CC2)cc1	ZINC000012243988	209164420	/nfs/dbraw/zinc/16/44/20/209164420.db2.gz	NCJSUQPDAHNOMZ-UHFFFAOYSA-N	0	3	394.490	3.183	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)cc1	ZINC000012301898	209163246	/nfs/dbraw/zinc/16/32/46/209163246.db2.gz	JUOUJINCXCCZCX-HSZRJFAPSA-N	0	3	390.527	3.246	50	30		GGEAHN
Cc1cnc(CN2CC3(CCC2=O)CCN(Cc2cccc(C#N)c2)CC3)cn1	ZINC000092019796	211213385	/nfs/dbraw/zinc/21/33/85/211213385.db2.gz	FONTXUGVAUEWSN-UHFFFAOYSA-N	0	3	389.503	3.062	50	30		GGEAHN
Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccc(C#N)cc4)C3)CCC2=O)cn1	ZINC000091391272	211190842	/nfs/dbraw/zinc/19/08/42/211190842.db2.gz	HPXBLNPIPAUWNO-QHCPKHFHSA-N	0	3	389.503	3.062	50	30		GGEAHN
N#Cc1ccc(CN2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)cc1	ZINC000091364493	211190295	/nfs/dbraw/zinc/19/02/95/211190295.db2.gz	KIDLPIBKESBAHL-UHFFFAOYSA-N	0	3	388.515	3.401	50	30		GGEAHN
Cc1cnc(CN2C[C@]3(CCCN(Cc4ccc(C#N)cc4)C3)CCC2=O)cn1	ZINC000091391273	211190036	/nfs/dbraw/zinc/19/00/36/211190036.db2.gz	HPXBLNPIPAUWNO-HSZRJFAPSA-N	0	3	389.503	3.062	50	30		GGEAHN
CCn1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1C#N	ZINC000072163395	211079412	/nfs/dbraw/zinc/07/94/12/211079412.db2.gz	MUMVDUVJJJTRAZ-YTFSRNRJSA-N	0	3	376.504	3.147	50	30		GGEAHN
CC1(C)Cc2c(C#N)c(OCCN3CCCCC3)nc(N3CCCC3)c2CO1	ZINC000071280876	211042216	/nfs/dbraw/zinc/04/22/16/211042216.db2.gz	OUQBNDHVFMQWOM-UHFFFAOYSA-N	0	3	384.524	3.269	50	30		GGEAHN
N#Cc1cc2c(ccn(C[C@@H](c3ccccc3)[NH+]3CCCCCC3)c2=O)[n-]c1=O	ZINC000067804343	211023167	/nfs/dbraw/zinc/02/31/67/211023167.db2.gz	ZGJIRIRVJVWSQZ-NRFANRHFSA-N	0	3	388.471	3.179	50	30		GGEAHN
N#Cc1cc2c(ccn(CC[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2=O)[n-]c1=O	ZINC000067696102	211018024	/nfs/dbraw/zinc/01/80/24/211018024.db2.gz	JWIKYADCDSGMMR-LJQANCHMSA-N	0	3	388.471	3.006	50	30		GGEAHN
N#Cc1cc2c(ccn(CC[C@H]3CCCC[N@H+]3Cc3ccccc3)c2=O)[n-]c1=O	ZINC000067696102	211018026	/nfs/dbraw/zinc/01/80/26/211018026.db2.gz	JWIKYADCDSGMMR-LJQANCHMSA-N	0	3	388.471	3.006	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccncc1	ZINC000020134938	210318403	/nfs/dbraw/zinc/31/84/03/210318403.db2.gz	AHXGKJNQWOHDIL-FQEVSTJZSA-N	0	3	393.487	3.310	50	30		GGEAHN
N#Cc1ccnc(N2CCC(N3CCN(C/C=C/c4ccccc4)CC3)CC2)c1	ZINC000095530063	136181943	/nfs/dbraw/zinc/18/19/43/136181943.db2.gz	GFRCALIMEUUKBM-QPJJXVBHSA-N	0	3	387.531	3.253	50	30		GGEAHN
C#Cc1ccc(CN2CCC(Oc3cccc(C(=O)NCCOC)c3)CC2)cc1	ZINC000012372917	518359286	/nfs/dbraw/zinc/35/92/86/518359286.db2.gz	BEZAKORXOBOOPZ-UHFFFAOYSA-N	0	3	392.499	3.088	50	30		GGEAHN
C=CCn1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(OC)cc2)C3)c1C	ZINC000095369957	519292050	/nfs/dbraw/zinc/29/20/50/519292050.db2.gz	FIEJRHOQUZDWLY-RBBKRZOGSA-N	0	3	380.536	3.483	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCC(=O)N(Cc3ccccc3F)CC2)cc1	ZINC000014980917	519330186	/nfs/dbraw/zinc/33/01/86/519330186.db2.gz	KVOFWEOXFNCCLP-UHFFFAOYSA-N	0	3	394.490	3.183	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1	ZINC000100508970	520648609	/nfs/dbraw/zinc/64/86/09/520648609.db2.gz	NWPTWSDWUZAHNX-NHFXJNLRSA-N	0	3	393.487	3.154	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccncc1	ZINC000102928277	520648898	/nfs/dbraw/zinc/64/88/98/520648898.db2.gz	YVVPYABKHXRLSG-YDJIHCHBSA-N	0	3	393.487	3.154	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1	ZINC000102496564	520652413	/nfs/dbraw/zinc/65/24/13/520652413.db2.gz	CRSAEGFTRIIUKS-WOOAAIBNSA-N	0	3	398.459	3.052	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccn1	ZINC000020227580	520656627	/nfs/dbraw/zinc/65/66/27/520656627.db2.gz	HRJHIOKGUGUJCP-FQEVSTJZSA-N	0	3	393.487	3.310	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1	ZINC000020135016	520656646	/nfs/dbraw/zinc/65/66/46/520656646.db2.gz	WBLFNDLNYMODDK-GOSISDBHSA-N	0	3	386.423	3.339	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1	ZINC000020219283	520660992	/nfs/dbraw/zinc/66/09/92/520660992.db2.gz	NLJORJXAWLJIAW-KRWDZBQOSA-N	0	3	385.489	3.063	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1	ZINC000020229940	520661188	/nfs/dbraw/zinc/66/11/88/520661188.db2.gz	GQKYUWQLUGQTSE-LJQANCHMSA-N	0	3	379.460	3.002	50	30		GGEAHN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1	ZINC000019973850	521317923	/nfs/dbraw/zinc/31/79/23/521317923.db2.gz	UACBWNADNYWJEV-LJQANCHMSA-N	0	3	398.459	3.208	50	30		GGEAHN
Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000426383795	534687024	/nfs/dbraw/zinc/68/70/24/534687024.db2.gz	JPQZJWCRPFHFHL-FQEVSTJZSA-N	0	3	378.524	3.052	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1	ZINC000006787130	524053951	/nfs/dbraw/zinc/05/39/51/524053951.db2.gz	UXPILYFMRSAUEL-HVESIFNPSA-N	0	3	388.851	3.306	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1	ZINC000006787075	524053993	/nfs/dbraw/zinc/05/39/93/524053993.db2.gz	UXPILYFMRSAUEL-GROYHEBESA-N	0	3	388.851	3.306	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1	ZINC000004427660	524054022	/nfs/dbraw/zinc/05/40/22/524054022.db2.gz	BZDFWUTYSXPHCN-WOOAAIBNSA-N	0	3	394.427	3.399	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	ZINC000006787100	524054267	/nfs/dbraw/zinc/05/42/67/524054267.db2.gz	HENZZUHAHPAWRH-GROYHEBESA-N	0	3	388.464	3.261	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000019996921	524054774	/nfs/dbraw/zinc/05/47/74/524054774.db2.gz	QVOQZFMRFSUICF-LJQANCHMSA-N	0	3	382.435	3.356	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1	ZINC000019927885	524055035	/nfs/dbraw/zinc/05/50/35/524055035.db2.gz	LPHWJZHYJRGVJS-QGZVFWFLSA-N	0	3	388.851	3.463	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F	ZINC000019582311	524055498	/nfs/dbraw/zinc/05/54/98/524055498.db2.gz	COWMJEWMZQJMMP-QGZVFWFLSA-N	0	3	388.464	3.417	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(C)Cc1ccco1)C2	ZINC000014747490	570245620	/nfs/dbraw/zinc/24/56/20/570245620.db2.gz	RFSWDCVMTICERY-QGZVFWFLSA-N	0	3	382.508	3.278	50	30		GGEAHN
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000008744053	570539474	/nfs/dbraw/zinc/53/94/74/570539474.db2.gz	XRCSMICDNNDHAK-LFVOPCPISA-N	0	3	398.459	3.052	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000013684009	570668085	/nfs/dbraw/zinc/66/80/85/570668085.db2.gz	XFUKTWVPEWUKPM-LJQANCHMSA-N	0	3	393.443	3.291	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000005799825	570692935	/nfs/dbraw/zinc/69/29/35/570692935.db2.gz	FEQWVPRQZDROBB-LFVOPCPISA-N	0	3	382.435	3.199	50	30		GGEAHN
COc1c2c(cc3c1[C@@H](CC(=O)C=C([O-])C(F)(F)F)[N+](C)(C)CC3)OCO2	ZINC000001280064	570953089	/nfs/dbraw/zinc/95/30/89/570953089.db2.gz	OTBPTRIZACIXAM-GFCCVEGCSA-O	0	3	388.362	3.061	50	30	biogenic	GGEAHN
C=CCn1ncc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1C	ZINC000091625308	570984743	/nfs/dbraw/zinc/98/47/43/570984743.db2.gz	WVCXFTWLJTYUTI-UHFFFAOYSA-N	0	3	393.535	3.177	50	30		GGEAHN
COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12	ZINC000012659826	1399051858	/nfs/dbraw/zinc/05/18/58/1399051858.db2.gz	FOEBWTIHOHDNTR-OYQWTXIVSA-N	0	3	385.504	3.310	50	30	biogenic	GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000020191210	1399343531	/nfs/dbraw/zinc/34/35/31/1399343531.db2.gz	OLDHXSYENNHXFL-LJQANCHMSA-N	0	3	397.450	3.141	50	30		GGEAHN
COCCN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3C#N)cc2)C1	ZINC000426359570	231207239	/nfs/dbraw/zinc/20/72/39/231207239.db2.gz	DPPHAGIOOMLBPW-GOSISDBHSA-N	0	3	377.488	3.313	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)s1	ZINC000022932745	212106378	/nfs/dbraw/zinc/10/63/78/212106378.db2.gz	SYABXXCGMNWUKQ-IBGZPJMESA-N	0	3	390.593	3.072	50	30		GGEAHN
Cn1c2ccccc2nc1-c1c(O)cn(-c2ccc(N3CCCCC3)cc2)c1N	ZINC000008844130	221059993	/nfs/dbraw/zinc/05/99/93/221059993.db2.gz	ZDZBVVNCMXYKKC-UHFFFAOYSA-N	0	3	387.487	3.280	50	30		GGEAHN
COc1ccc(OCc2ccc(-c3nc(C#N)c(NCCN(C)C)o3)o2)cc1	ZINC000012418956	221190921	/nfs/dbraw/zinc/19/09/21/221190921.db2.gz	QTDGGOVTUIVUCW-UHFFFAOYSA-N	0	3	382.420	3.367	50	30		GGEAHN
COCCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3C#N)cc2)C1	ZINC000426359571	533343101	/nfs/dbraw/zinc/34/31/01/533343101.db2.gz	DPPHAGIOOMLBPW-SFHVURJKSA-N	0	3	377.488	3.313	50	30		GGEAHN
CSCCN1CCC(NC(=O)c2cccc(-c3cccc(C#N)n3)c2)CC1	ZINC000426419728	533581037	/nfs/dbraw/zinc/58/10/37/533581037.db2.gz	IWJRNFRGNCHJKP-UHFFFAOYSA-N	0	3	380.517	3.177	50	30		GGEAHN
C=C(Cl)Cn1c2cc(F)ccc2cc(CNCCn2nc(C)cc2C)c1=O	ZINC000014996281	518653497	/nfs/dbraw/zinc/65/34/97/518653497.db2.gz	LEIHBWMMCYZBCX-UHFFFAOYSA-N	0	3	388.874	3.496	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1	ZINC000005564225	520651504	/nfs/dbraw/zinc/65/15/04/520651504.db2.gz	MZRMPLCVGLVBQI-GHNGSUTGSA-N	0	3	386.423	3.182	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1	ZINC000013127730	520657769	/nfs/dbraw/zinc/65/77/69/520657769.db2.gz	RTEVBHWQNNDLIP-FQEVSTJZSA-N	0	3	393.487	3.310	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1	ZINC000020135214	520659519	/nfs/dbraw/zinc/65/95/19/520659519.db2.gz	JMRBXDAQDBFHOH-KRWDZBQOSA-N	0	3	385.489	3.063	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccco1	ZINC000019973952	520660292	/nfs/dbraw/zinc/66/02/92/520660292.db2.gz	MXKHKAXOPSTYFH-IBGZPJMESA-N	0	3	398.459	3.208	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000020502278	520660686	/nfs/dbraw/zinc/66/06/86/520660686.db2.gz	RYRNGADAHPIEFS-IBGZPJMESA-N	0	3	397.450	3.141	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000019882193	520661090	/nfs/dbraw/zinc/66/10/90/520661090.db2.gz	WUZHLKGIWSJUPI-IBGZPJMESA-N	0	3	397.450	3.141	50	30		GGEAHN
CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1	ZINC000055119750	521179077	/nfs/dbraw/zinc/17/90/77/521179077.db2.gz	ODPVDKRHPHYGOC-OAQYLSRUSA-N	0	3	393.549	3.052	50	30		GGEAHN
CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000019999635	521417190	/nfs/dbraw/zinc/41/71/90/521417190.db2.gz	SJOJGVKPZKVKDC-LJQANCHMSA-N	0	3	398.459	3.208	50	30		GGEAHN
CN(CCc1ccccc1)C1(C(=O)N2CCC[C@@H](C#N)C2)Cc2ccccc2C1	ZINC000072128890	522954081	/nfs/dbraw/zinc/95/40/81/522954081.db2.gz	OWRAAFRBRSPBJQ-NRFANRHFSA-N	0	3	387.527	3.461	50	30		GGEAHN
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCCN(CCCc2ccccc2)C1	ZINC000011813631	523786455	/nfs/dbraw/zinc/78/64/55/523786455.db2.gz	NGWSENHLRUQABW-LJQANCHMSA-N	0	3	384.520	3.194	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1	ZINC000019882942	524054822	/nfs/dbraw/zinc/05/48/22/524054822.db2.gz	GLWMXESOXCOTNY-GOSISDBHSA-N	0	3	399.878	3.265	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102873824	524054933	/nfs/dbraw/zinc/05/49/33/524054933.db2.gz	GOBFVPMAXGXTLT-GHNGSUTGSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000019938289	524055216	/nfs/dbraw/zinc/05/52/16/524055216.db2.gz	ONEVVSGOWOHBFH-IBGZPJMESA-N	0	3	382.435	3.356	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Cl)c1	ZINC000020441299	524055653	/nfs/dbraw/zinc/05/56/53/524055653.db2.gz	UMMGRQBLSCZITP-SFHVURJKSA-N	0	3	399.878	3.265	50	30		GGEAHN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000005576832	524168685	/nfs/dbraw/zinc/16/86/85/524168685.db2.gz	NXYVRHWTYLNGSZ-NHFXJNLRSA-N	0	3	394.471	3.069	50	30		GGEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000019973842	525781419	/nfs/dbraw/zinc/78/14/19/525781419.db2.gz	QQAMYJKVTJVHCI-LJQANCHMSA-N	0	3	398.459	3.127	50	30		GGEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000017179596	525790465	/nfs/dbraw/zinc/79/04/65/525790465.db2.gz	LQRRPCFJCRGRCN-LJQANCHMSA-N	0	3	382.460	3.426	50	30		GGEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)cc1	ZINC000102517235	525941563	/nfs/dbraw/zinc/94/15/63/525941563.db2.gz	ULCWNRJKMCGLNC-SELCWUDQSA-N	0	3	384.501	3.430	50	30		GGEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)cc1	ZINC000102517225	525945499	/nfs/dbraw/zinc/94/54/99/525945499.db2.gz	ULCWNRJKMCGLNC-GHNGSUTGSA-N	0	3	384.501	3.430	50	30		GGEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000017179594	525985784	/nfs/dbraw/zinc/98/57/84/525985784.db2.gz	LQRRPCFJCRGRCN-IBGZPJMESA-N	0	3	382.460	3.426	50	30		GGEAHN
Cc1csc(C2=C(N)N(CCC3CCN(Cc4ccccc4)CC3)CC2=O)n1	ZINC000013736658	526327707	/nfs/dbraw/zinc/32/77/07/526327707.db2.gz	OHMSMXCJTDXTDS-UHFFFAOYSA-N	0	3	396.560	3.266	50	30		GGEAHN
N=C(N)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1	ZINC000034798590	526817424	/nfs/dbraw/zinc/81/74/24/526817424.db2.gz	GIUBSOFBEXFZNZ-ZBKNUEDVSA-N	0	3	381.661	3.498	50	30		GGEAHN
OCC#Cc1csc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)c1	ZINC000055100232	527520989	/nfs/dbraw/zinc/52/09/89/527520989.db2.gz	UGSLMXUYCCSZSH-INIZCTEOSA-N	0	3	383.542	3.460	50	30		GGEAHN
Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccc(-n2ccnc2)nn1	ZINC000004135526	527547819	/nfs/dbraw/zinc/54/78/19/527547819.db2.gz	CCPZJGZOBXUZAH-SRZZPIQSSA-N	0	3	378.827	3.256	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccncc1	ZINC000020134942	570242159	/nfs/dbraw/zinc/24/21/59/570242159.db2.gz	AHXGKJNQWOHDIL-HXUWFJFHSA-N	0	3	393.487	3.310	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2	ZINC000014749154	570246209	/nfs/dbraw/zinc/24/62/09/570246209.db2.gz	QAOJSNJAKOKICA-IBGZPJMESA-N	0	3	396.510	3.481	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1	ZINC000005408676	570585950	/nfs/dbraw/zinc/58/59/50/570585950.db2.gz	KMNCXZHRKDSUQS-SELCWUDQSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000005408688	570586003	/nfs/dbraw/zinc/58/60/03/570586003.db2.gz	CDSUBEHMDYQEET-WOOAAIBNSA-N	0	3	382.435	3.199	50	30		GGEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1	ZINC000005576901	570659519	/nfs/dbraw/zinc/65/95/19/570659519.db2.gz	CTBVLUUKYPPXKB-UYTDBDHRSA-N	0	3	390.892	3.385	50	30		GGEAHN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000005799853	570692833	/nfs/dbraw/zinc/69/28/33/570692833.db2.gz	GTEYUONHSKHAGN-NHFXJNLRSA-N	0	3	394.471	3.069	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000005799849	570692967	/nfs/dbraw/zinc/69/29/67/570692967.db2.gz	ANFMLFUCDSSCJU-WOOAAIBNSA-N	0	3	382.435	3.199	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccco1	ZINC000005799438	570693031	/nfs/dbraw/zinc/69/30/31/570693031.db2.gz	BTVUGMWHUMILQE-LFVOPCPISA-N	0	3	382.460	3.352	50	30		GGEAHN
CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1	ZINC000020000533	1399339920	/nfs/dbraw/zinc/33/99/20/1399339920.db2.gz	JZORSUIGNQUEEN-UHFFFAOYSA-N	0	3	382.489	3.071	50	30	aggregator	GGEAHN
Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000096130680	1410325357	/nfs/dbraw/zinc/32/53/57/1410325357.db2.gz	OFGHSWJIXZRLRR-UHFFFAOYSA-N	0	3	378.524	3.052	50	30		GGEAHN
COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12	ZINC000230023420	1433372456	/nfs/dbraw/zinc/37/24/56/1433372456.db2.gz	AQSSCMNLIVYIHH-BWMPLVCVSA-N	0	3	385.504	3.312	50	30	biogenic	GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000013684005	230886154	/nfs/dbraw/zinc/88/61/54/230886154.db2.gz	XFUKTWVPEWUKPM-IBGZPJMESA-N	0	3	393.443	3.291	50	30		GGEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1	ZINC000005576852	204141315	/nfs/dbraw/zinc/14/13/15/204141315.db2.gz	CTBVLUUKYPPXKB-IBOXJLQUSA-N	0	3	390.892	3.385	50	30		GGEAHN
COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12	ZINC000012885975	205880596	/nfs/dbraw/zinc/88/05/96/205880596.db2.gz	AQSSCMNLIVYIHH-NONFQHQLSA-N	0	3	385.504	3.312	50	30	biogenic	GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1	ZINC000012203462	221168065	/nfs/dbraw/zinc/16/80/65/221168065.db2.gz	YJQBNBWWFDCJED-NRFANRHFSA-N	0	3	382.548	3.424	50	30		GGEAHN
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O	ZINC000014881144	518601288	/nfs/dbraw/zinc/60/12/88/518601288.db2.gz	YGBYNVWIYPQBAT-QFIPXVFZSA-N	0	3	385.508	3.184	50	30		GGEAHN
C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O	ZINC000014881145	518603685	/nfs/dbraw/zinc/60/36/85/518603685.db2.gz	YGBYNVWIYPQBAT-JOCHJYFZSA-N	0	3	385.508	3.184	50	30		GGEAHN
C=CCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21	ZINC000071751553	518742471	/nfs/dbraw/zinc/74/24/71/518742471.db2.gz	OWDVRXFLMCIZGP-UHFFFAOYSA-N	0	3	395.551	3.043	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)o1	ZINC000006785178	520653686	/nfs/dbraw/zinc/65/36/86/520653686.db2.gz	BXQZIRRYQGJCIS-GROYHEBESA-N	0	3	388.489	3.413	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1	ZINC000020135012	520658460	/nfs/dbraw/zinc/65/84/60/520658460.db2.gz	WBLFNDLNYMODDK-SFHVURJKSA-N	0	3	386.423	3.339	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000020502280	520658931	/nfs/dbraw/zinc/65/89/31/520658931.db2.gz	RYRNGADAHPIEFS-LJQANCHMSA-N	0	3	397.450	3.141	50	30		GGEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000019885561	523552877	/nfs/dbraw/zinc/55/28/77/523552877.db2.gz	UNBIBILYAGAVAZ-FQEVSTJZSA-N	0	3	394.471	3.225	50	30		GGEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1	ZINC000019902900	523557414	/nfs/dbraw/zinc/55/74/14/523557414.db2.gz	UDDHIRXDGVSFGZ-FQEVSTJZSA-N	0	3	394.471	3.144	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000102877023	524053915	/nfs/dbraw/zinc/05/39/15/524053915.db2.gz	JPMZOBZZCOAZET-GHNGSUTGSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1	ZINC000005576780	524054292	/nfs/dbraw/zinc/05/42/92/524054292.db2.gz	OIEZGYRDHOAANU-GROYHEBESA-N	0	3	388.464	3.261	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1	ZINC000020219576	524055506	/nfs/dbraw/zinc/05/55/06/524055506.db2.gz	ZBOHODIDHBJJEX-SFHVURJKSA-N	0	3	399.878	3.265	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccs1	ZINC000019582320	524055848	/nfs/dbraw/zinc/05/58/48/524055848.db2.gz	UPMXZKWLZAWDRK-HNNXBMFYSA-N	0	3	376.503	3.340	50	30		GGEAHN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000019809168	524111619	/nfs/dbraw/zinc/11/16/19/524111619.db2.gz	DTZUDMFELLMWOT-HXUWFJFHSA-N	0	3	394.471	3.225	50	30		GGEAHN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102929938	525212671	/nfs/dbraw/zinc/21/26/71/525212671.db2.gz	GTEYUONHSKHAGN-YDJIHCHBSA-N	0	3	394.471	3.069	50	30		GGEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000018059567	525218381	/nfs/dbraw/zinc/21/83/81/525218381.db2.gz	XWBQAJLALBMMTH-HXUWFJFHSA-N	0	3	394.471	3.144	50	30		GGEAHN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020025265	525225588	/nfs/dbraw/zinc/22/55/88/525225588.db2.gz	QKICSLINYRLUNT-HXUWFJFHSA-N	0	3	394.471	3.225	50	30		GGEAHN
COc1cccc(-c2[nH]nc3c2CN(Cc2cc(C#CCO)cs2)CC3)c1	ZINC000020905462	525720185	/nfs/dbraw/zinc/72/01/85/525720185.db2.gz	QLIGBZQDBCFIHB-UHFFFAOYSA-N	0	3	379.485	3.049	50	30		GGEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c1	ZINC000020231584	525783072	/nfs/dbraw/zinc/78/30/72/525783072.db2.gz	CNMKKKSAOGOYRW-HXUWFJFHSA-N	0	3	394.471	3.144	50	30		GGEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000005595833	525787710	/nfs/dbraw/zinc/78/77/10/525787710.db2.gz	ACSOKSJGMJKMLW-SELCWUDQSA-N	0	3	386.423	3.101	50	30		GGEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000004311305	525787939	/nfs/dbraw/zinc/78/79/39/525787939.db2.gz	IVUNTGRYZAUMEI-YDJIHCHBSA-N	0	3	378.472	3.368	50	30		GGEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000102863450	525942275	/nfs/dbraw/zinc/94/22/75/525942275.db2.gz	YDUSPKAISFSOFJ-YDJIHCHBSA-N	0	3	378.472	3.368	50	30		GGEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000102863449	525945168	/nfs/dbraw/zinc/94/51/68/525945168.db2.gz	YDUSPKAISFSOFJ-NHFXJNLRSA-N	0	3	378.472	3.368	50	30		GGEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)s1	ZINC000004311706	526688108	/nfs/dbraw/zinc/68/81/08/526688108.db2.gz	ZZBRDJWUMKNTGU-QGZVFWFLSA-N	0	3	399.516	3.290	50	30		GGEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)s1	ZINC000004311705	526688296	/nfs/dbraw/zinc/68/82/96/526688296.db2.gz	ZZBRDJWUMKNTGU-KRWDZBQOSA-N	0	3	399.516	3.290	50	30		GGEAHN
Clc1ccc(/C=N/N=C2\C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1	ZINC000096576529	526938913	/nfs/dbraw/zinc/93/89/13/526938913.db2.gz	NZJJFISPSCVBMU-JWMDJXKXSA-N	0	3	378.907	3.314	50	30		GGEAHN
O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNC[C@H]1NCCc2ccccc21	ZINC000100146718	526961605	/nfs/dbraw/zinc/96/16/05/526961605.db2.gz	KSEUZXVMUSLZRQ-FBLFFUNLSA-N	0	3	378.447	3.202	50	30		GGEAHN
C=CCOc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1OC	ZINC000008471127	570220962	/nfs/dbraw/zinc/22/09/62/570220962.db2.gz	HNLGBKIKTABHPS-UHFFFAOYSA-N	0	3	397.504	3.118	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2	ZINC000014749153	570245505	/nfs/dbraw/zinc/24/55/05/570245505.db2.gz	QAOJSNJAKOKICA-LJQANCHMSA-N	0	3	396.510	3.481	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1	ZINC000020188628	570246426	/nfs/dbraw/zinc/24/64/26/570246426.db2.gz	TUMDRVKSAXRRKN-IBGZPJMESA-N	0	3	398.459	3.208	50	30		GGEAHN
CCN1CCN(c2ccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)CC1	ZINC000003038162	570530658	/nfs/dbraw/zinc/53/06/58/570530658.db2.gz	LPYYQBBITVUBFO-FYJGNVAPSA-N	0	3	382.420	3.216	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccn1	ZINC000005799468	570693049	/nfs/dbraw/zinc/69/30/49/570693049.db2.gz	ZFKIUIYNAKCWIY-NHFXJNLRSA-N	0	3	393.487	3.154	50	30		GGEAHN
COc1c2c(cc3c1[C@H](CC(=O)C=C([O-])C(F)(F)F)[N+](C)(C)CC3)OCO2	ZINC000001280066	570953055	/nfs/dbraw/zinc/95/30/55/570953055.db2.gz	OTBPTRIZACIXAM-LBPRGKRZSA-O	0	3	388.362	3.061	50	30	biogenic	GGEAHN
COc1ccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)cc1	ZINC000020111758	1399342724	/nfs/dbraw/zinc/34/27/24/1399342724.db2.gz	VWCLOXJNETWOIX-VULIGXMUSA-N	0	3	384.432	3.230	50	30	biogenic	GGEAHN
Cn1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cc1C#N	ZINC000091574170	1410073806	/nfs/dbraw/zinc/07/38/06/1410073806.db2.gz	VTCQGSLMXYHJIK-OAQYLSRUSA-N	0	3	376.504	3.125	50	30		GGEAHN
Cn1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cc1C#N	ZINC000091574171	1410074268	/nfs/dbraw/zinc/07/42/68/1410074268.db2.gz	VTCQGSLMXYHJIK-NRFANRHFSA-N	0	3	376.504	3.125	50	30		GGEAHN
N#Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)cc1	ZINC000091656860	1410074734	/nfs/dbraw/zinc/07/47/34/1410074734.db2.gz	AYHLZWHQNWCQIJ-DEOSSOPVSA-N	0	3	388.515	3.401	50	30		GGEAHN
CCN(CC)CCn1c2ccccc2n(CC(=O)c2ccc(C#N)cc2)c1=N	ZINC000253470639	1433867635	/nfs/dbraw/zinc/86/76/35/1433867635.db2.gz	SZTFJYRQDRJSTN-UHFFFAOYSA-N	0	3	375.476	3.019	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1	ZINC000012203470	206245014	/nfs/dbraw/zinc/24/50/14/206245014.db2.gz	YJQBNBWWFDCJED-OAQYLSRUSA-N	0	3	382.548	3.424	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000012712255	206245918	/nfs/dbraw/zinc/24/59/18/206245918.db2.gz	USUTYJNZEIHMSL-FQEVSTJZSA-N	0	3	380.488	3.044	50	30		GGEAHN
C=CCOc1ccccc1CN1CCN(CCc2ccccc2)[C@@H](CCO)C1	ZINC000020869476	206251292	/nfs/dbraw/zinc/25/12/92/206251292.db2.gz	HSJMYZPDTFLVHG-QHCPKHFHSA-N	0	3	380.532	3.363	50	30		GGEAHN
CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc2ccccc21	ZINC000010333546	206384190	/nfs/dbraw/zinc/38/41/90/206384190.db2.gz	JLXQUFXPEZLGQT-NRFANRHFSA-N	0	3	386.455	3.069	50	30		GGEAHN
CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1cc(C#N)cn1C	ZINC000095519540	208216153	/nfs/dbraw/zinc/21/61/53/208216153.db2.gz	VVVDYWOVSVMRNA-UHFFFAOYSA-N	0	3	382.483	3.063	50	30		GGEAHN
C=CCCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000012300586	221178183	/nfs/dbraw/zinc/17/81/83/221178183.db2.gz	DXQIYTNAPIDGBW-IBGZPJMESA-N	0	3	375.532	3.394	50	30		GGEAHN
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3cccc(OC)c3)CC2)C1=O	ZINC000011815140	518601533	/nfs/dbraw/zinc/60/15/33/518601533.db2.gz	QRZBRIVCMWPAPE-QFIPXVFZSA-N	0	3	385.508	3.184	50	30		GGEAHN
C=CCN1CC[C@]2(CN(Cc3cccc(C(F)(F)F)c3)CCN2C)CCC1=O	ZINC000095391639	518870458	/nfs/dbraw/zinc/87/04/58/518870458.db2.gz	YVWWCXXSKKBLNV-FQEVSTJZSA-N	0	3	395.469	3.390	50	30		GGEAHN
C=CCSc1nnc([C@@H]2CCCN(Cc3ccc(C(=O)OC)cc3)C2)n1C	ZINC000020992831	519091178	/nfs/dbraw/zinc/09/11/78/519091178.db2.gz	LERSHNNFZIFTJB-QGZVFWFLSA-N	0	3	386.521	3.259	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)s1	ZINC000036385705	519328933	/nfs/dbraw/zinc/32/89/33/519328933.db2.gz	SYABXXCGMNWUKQ-LJQANCHMSA-N	0	3	390.593	3.072	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1	ZINC000100508966	520649387	/nfs/dbraw/zinc/64/93/87/520649387.db2.gz	NWPTWSDWUZAHNX-YDJIHCHBSA-N	0	3	393.487	3.154	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccncc1	ZINC000102928278	520649453	/nfs/dbraw/zinc/64/94/53/520649453.db2.gz	YVVPYABKHXRLSG-NHFXJNLRSA-N	0	3	393.487	3.154	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)o1	ZINC000006785308	520654086	/nfs/dbraw/zinc/65/40/86/520654086.db2.gz	BXQZIRRYQGJCIS-HVESIFNPSA-N	0	3	388.489	3.413	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccn1	ZINC000020227582	520658349	/nfs/dbraw/zinc/65/83/49/520658349.db2.gz	HRJHIOKGUGUJCP-HXUWFJFHSA-N	0	3	393.487	3.310	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OC)cc1	ZINC000019925694	520659769	/nfs/dbraw/zinc/65/97/69/520659769.db2.gz	ZTTOJOGKGHNYMI-IBGZPJMESA-N	0	3	398.459	3.208	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1	ZINC000019925695	520659815	/nfs/dbraw/zinc/65/98/15/520659815.db2.gz	ZTTOJOGKGHNYMI-LJQANCHMSA-N	0	3	398.459	3.208	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1	ZINC000020219285	520660607	/nfs/dbraw/zinc/66/06/07/520660607.db2.gz	NLJORJXAWLJIAW-QGZVFWFLSA-N	0	3	385.489	3.063	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1	ZINC000020135379	520660752	/nfs/dbraw/zinc/66/07/52/520660752.db2.gz	MCZUYDYQZZTJQU-KRWDZBQOSA-N	0	3	385.489	3.063	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1	ZINC000020135219	520660821	/nfs/dbraw/zinc/66/08/21/520660821.db2.gz	JMRBXDAQDBFHOH-QGZVFWFLSA-N	0	3	385.489	3.063	50	30		GGEAHN
CN(CCc1ccccc1)C1(C(=O)N2CCC(C#N)CC2)Cc2ccccc2C1	ZINC000072135387	522951972	/nfs/dbraw/zinc/95/19/72/522951972.db2.gz	FWBNHRIZYJOUAR-UHFFFAOYSA-N	0	3	387.527	3.461	50	30		GGEAHN
CN(C)CCC[NH+]=Cc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000100256993	524051122	/nfs/dbraw/zinc/05/11/22/524051122.db2.gz	HJXNWAVBSFVLTK-PXLXIMEGSA-N	0	3	393.447	3.111	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	ZINC000020024157	524054949	/nfs/dbraw/zinc/05/49/49/524054949.db2.gz	FAEFBKHSLHEKGV-IBGZPJMESA-N	0	3	382.435	3.356	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1	ZINC000006787113	524054979	/nfs/dbraw/zinc/05/49/79/524054979.db2.gz	CXZVEDUDXLFKPU-SELCWUDQSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1	ZINC000019938290	524055049	/nfs/dbraw/zinc/05/50/49/524055049.db2.gz	ONEVVSGOWOHBFH-LJQANCHMSA-N	0	3	382.435	3.356	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000019928020	524055204	/nfs/dbraw/zinc/05/52/04/524055204.db2.gz	MXGPFDDZSKCYQI-SFHVURJKSA-N	0	3	399.878	3.265	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1	ZINC000019972667	524055221	/nfs/dbraw/zinc/05/52/21/524055221.db2.gz	CMQQTIDPWQRXBS-SFHVURJKSA-N	0	3	399.878	3.265	50	30		GGEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000017863017	525387030	/nfs/dbraw/zinc/38/70/30/525387030.db2.gz	XWBQAJLALBMMTH-FQEVSTJZSA-N	0	3	394.471	3.144	50	30		GGEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000005595842	525979983	/nfs/dbraw/zinc/97/99/83/525979983.db2.gz	ACSOKSJGMJKMLW-GHNGSUTGSA-N	0	3	386.423	3.101	50	30		GGEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000019927955	525984180	/nfs/dbraw/zinc/98/41/80/525984180.db2.gz	VRTXEZVGPJRUQS-SFHVURJKSA-N	0	3	386.423	3.257	50	30		GGEAHN
Clc1ccc(/C=N/N=C2/C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1	ZINC000101514065	526938423	/nfs/dbraw/zinc/93/84/23/526938423.db2.gz	NZJJFISPSCVBMU-FOSQEZJDSA-N	0	3	378.907	3.314	50	30		GGEAHN
C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1	ZINC000014540140	527646214	/nfs/dbraw/zinc/64/62/14/527646214.db2.gz	QNUQVQUWHFCZIF-QGZVFWFLSA-N	0	3	382.508	3.300	50	30		GGEAHN
OCCC#Cc1ccc(CN2CCC[C@@](CO)(CCOc3ccccc3)C2)cc1	ZINC000011842466	570234010	/nfs/dbraw/zinc/23/40/10/570234010.db2.gz	GRUXYELPYKJTLB-RUZDIDTESA-N	0	3	393.527	3.464	50	30		GGEAHN
OCCC#Cc1ccc(CN2CCC[C@](CO)(CCOc3ccccc3)C2)cc1	ZINC000011842467	570234664	/nfs/dbraw/zinc/23/46/64/570234664.db2.gz	GRUXYELPYKJTLB-VWLOTQADSA-N	0	3	393.527	3.464	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2	ZINC000014541767	570244770	/nfs/dbraw/zinc/24/47/70/570244770.db2.gz	VJTYYHHYKLKXQV-LJQANCHMSA-N	0	3	396.510	3.481	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2	ZINC000014531630	570244814	/nfs/dbraw/zinc/24/48/14/570244814.db2.gz	XGKNDYGXJMPLRG-SFHVURJKSA-N	0	3	382.483	3.091	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccccc1F)C2	ZINC000014753865	570245995	/nfs/dbraw/zinc/24/59/95/570245995.db2.gz	XFRGXHYBLYRUCW-GOSISDBHSA-N	0	3	396.510	3.481	50	30		GGEAHN
COc1ccc([C@@H]2CN(C(=O)c3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1	ZINC000071762379	570283093	/nfs/dbraw/zinc/28/30/93/570283093.db2.gz	BGIUNLJDECRJGE-YTFSRNRJSA-N	0	3	387.483	3.269	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1	ZINC000005408678	570585868	/nfs/dbraw/zinc/58/58/68/570585868.db2.gz	CDSUBEHMDYQEET-LFVOPCPISA-N	0	3	382.435	3.199	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Cl)c1	ZINC000006812680	570617014	/nfs/dbraw/zinc/61/70/14/570617014.db2.gz	CXZVEDUDXLFKPU-GHNGSUTGSA-N	0	3	399.878	3.108	50	30		GGEAHN
N#Cc1cc([N+](=O)[O-])c(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1C#N	ZINC000004629032	570736458	/nfs/dbraw/zinc/73/64/58/570736458.db2.gz	PHSYVHQQWOOSCE-UHFFFAOYSA-N	0	3	391.475	3.429	50	30		GGEAHN
CN(Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCC(C#N)CC2)cc1	ZINC000095527689	571091426	/nfs/dbraw/zinc/09/14/26/571091426.db2.gz	ORNSRORDRHZYJZ-HSZRJFAPSA-N	0	3	393.531	3.294	50	30		GGEAHN
CN(Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCC(C#N)CC2)cc1	ZINC000095527688	571091529	/nfs/dbraw/zinc/09/15/29/571091529.db2.gz	ORNSRORDRHZYJZ-QHCPKHFHSA-N	0	3	393.531	3.294	50	30		GGEAHN
C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccoc3)nn2CC)C1	ZINC000014747205	1399117805	/nfs/dbraw/zinc/11/78/05/1399117805.db2.gz	QOUGAUJKXCGTIB-SFHVURJKSA-N	0	3	382.508	3.300	50	30		GGEAHN
COc1ccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)cc1	ZINC000020111756	1399342692	/nfs/dbraw/zinc/34/26/92/1399342692.db2.gz	VWCLOXJNETWOIX-DBZAVIBRSA-N	0	3	384.432	3.230	50	30	biogenic	GGEAHN
CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccccc2C#N)cc1	ZINC000426387882	231212901	/nfs/dbraw/zinc/21/29/01/231212901.db2.gz	OKEWFVZWHFMORP-OAQYLSRUSA-N	0	3	377.488	3.408	50	30		GGEAHN
CN(CC1CCN(CCO)CC1)C(=O)c1cccc(-c2ccccc2C#N)c1	ZINC000426521567	529865772	/nfs/dbraw/zinc/86/57/72/529865772.db2.gz	XVDOEQBXBYCDOT-UHFFFAOYSA-N	0	3	377.488	3.002	50	30		GGEAHN
CN1CCC(OCCCNC(=O)c2cccc(-c3cccc(C#N)c3)c2)CC1	ZINC000426669127	530050939	/nfs/dbraw/zinc/05/09/39/530050939.db2.gz	OMACCKKKPYOISA-UHFFFAOYSA-N	0	3	377.488	3.456	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000013127716	210051116	/nfs/dbraw/zinc/05/11/16/210051116.db2.gz	UZTBPMGMTYSIOU-IBGZPJMESA-N	0	3	397.450	3.141	50	30		GGEAHN
CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc2ccccc21	ZINC000010333551	209331044	/nfs/dbraw/zinc/33/10/44/209331044.db2.gz	JLXQUFXPEZLGQT-OAQYLSRUSA-N	0	3	386.455	3.069	50	30		GGEAHN
CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000096137828	211306583	/nfs/dbraw/zinc/30/65/83/211306583.db2.gz	XOCRVWDKILXSNE-UHFFFAOYSA-N	0	3	389.507	3.103	50	30		GGEAHN
CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C#N)cn1C	ZINC000095518954	211264331	/nfs/dbraw/zinc/26/43/31/211264331.db2.gz	WBEBHQJMZOLUSA-LJQANCHMSA-N	0	3	396.510	3.453	50	30		GGEAHN
CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc(C#N)cn1C	ZINC000095518955	211265062	/nfs/dbraw/zinc/26/50/62/211265062.db2.gz	WBEBHQJMZOLUSA-IBGZPJMESA-N	0	3	396.510	3.453	50	30		GGEAHN
Cc1noc(C)c1CN1CC2(CC1=O)CCN(Cc1ccc(C#N)cc1)CC2	ZINC000095363391	211226183	/nfs/dbraw/zinc/22/61/83/211226183.db2.gz	HQHYBRUJHVWERN-UHFFFAOYSA-N	0	3	378.476	3.178	50	30		GGEAHN
N#Cc1ccccc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1	ZINC000072454082	211119212	/nfs/dbraw/zinc/11/92/12/211119212.db2.gz	USVUXAOUZRVRAW-TUACAJSNSA-N	0	3	387.483	3.349	50	30		GGEAHN
N#Cc1cc2c(ccn(C[C@H](c3ccccc3)[NH+]3CCCCCC3)c2=O)[n-]c1=O	ZINC000067804342	211022558	/nfs/dbraw/zinc/02/25/58/211022558.db2.gz	ZGJIRIRVJVWSQZ-OAQYLSRUSA-N	0	3	388.471	3.179	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1	ZINC000020219577	210324829	/nfs/dbraw/zinc/32/48/29/210324829.db2.gz	ZBOHODIDHBJJEX-GOSISDBHSA-N	0	3	399.878	3.265	50	30		GGEAHN
C=CCN1CC[C@@]2(CN(Cc3cccc(C(F)(F)F)c3)CCN2C)CCC1=O	ZINC000108047693	518868289	/nfs/dbraw/zinc/86/82/89/518868289.db2.gz	YVWWCXXSKKBLNV-HXUWFJFHSA-N	0	3	395.469	3.390	50	30		GGEAHN
C=CCSc1nnc([C@H]2CCCN(Cc3ccc(C(=O)OC)cc3)C2)n1C	ZINC000020992835	519089881	/nfs/dbraw/zinc/08/98/81/519089881.db2.gz	LERSHNNFZIFTJB-KRWDZBQOSA-N	0	3	386.521	3.259	50	30		GGEAHN
C=CCn1ncc(CN2CCC(Cc3nncn3-c3ccccc3)CC2)c1C	ZINC000055196764	519291329	/nfs/dbraw/zinc/29/13/29/519291329.db2.gz	RHYWGTYQKWTQIZ-UHFFFAOYSA-N	0	3	376.508	3.413	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1	ZINC000005564209	520651076	/nfs/dbraw/zinc/65/10/76/520651076.db2.gz	MZRMPLCVGLVBQI-SELCWUDQSA-N	0	3	386.423	3.182	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OC)cc1	ZINC000008915063	520653732	/nfs/dbraw/zinc/65/37/32/520653732.db2.gz	GOPGFZACETVVNF-LFVOPCPISA-N	0	3	398.459	3.052	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000005488720	520654869	/nfs/dbraw/zinc/65/48/69/520654869.db2.gz	SNROMZNIKATNNH-NHFXJNLRSA-N	0	3	378.472	3.450	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000005488720	520654876	/nfs/dbraw/zinc/65/48/76/520654876.db2.gz	SNROMZNIKATNNH-NHFXJNLRSA-N	0	3	378.472	3.450	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000019771890	520658810	/nfs/dbraw/zinc/65/88/10/520658810.db2.gz	HTGKSGHZMOSMCK-INIZCTEOSA-N	0	3	395.297	3.075	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000019882195	520659549	/nfs/dbraw/zinc/65/95/49/520659549.db2.gz	WUZHLKGIWSJUPI-LJQANCHMSA-N	0	3	397.450	3.141	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1	ZINC000013127188	520660445	/nfs/dbraw/zinc/66/04/45/520660445.db2.gz	SFIHHWSGLJCCGL-LJQANCHMSA-N	0	3	379.460	3.002	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000019882184	520661169	/nfs/dbraw/zinc/66/11/69/520661169.db2.gz	FCZVCRIIUFBHNH-IBGZPJMESA-N	0	3	397.450	3.141	50	30		GGEAHN
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019958179	521269262	/nfs/dbraw/zinc/26/92/62/521269262.db2.gz	BDNQMWVDCOENNP-IBGZPJMESA-N	0	3	398.459	3.208	50	30		GGEAHN
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCCN(CC)CC	ZINC000100163170	521325698	/nfs/dbraw/zinc/32/56/98/521325698.db2.gz	KFJHQFCRLHSTKO-RCCKNPSSSA-N	0	3	387.484	3.177	50	30		GGEAHN
CN(CCc1ccccc1)C1(C(=O)N2CCC[C@H](C#N)C2)Cc2ccccc2C1	ZINC000072128889	522953956	/nfs/dbraw/zinc/95/39/56/522953956.db2.gz	OWRAAFRBRSPBJQ-OAQYLSRUSA-N	0	3	387.527	3.461	50	30		GGEAHN
Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1	ZINC000426383804	534687812	/nfs/dbraw/zinc/68/78/12/534687812.db2.gz	JPQZJWCRPFHFHL-HXUWFJFHSA-N	0	3	378.524	3.052	50	30		GGEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1	ZINC000019902898	523558008	/nfs/dbraw/zinc/55/80/08/523558008.db2.gz	UDDHIRXDGVSFGZ-HXUWFJFHSA-N	0	3	394.471	3.144	50	30		GGEAHN
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCCN(CCCc2ccccc2)C1	ZINC000011813632	523786614	/nfs/dbraw/zinc/78/66/14/523786614.db2.gz	NGWSENHLRUQABW-IBGZPJMESA-N	0	3	384.520	3.194	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1	ZINC000005445162	524054029	/nfs/dbraw/zinc/05/40/29/524054029.db2.gz	FIYXPFFTAUULMA-HVESIFNPSA-N	0	3	388.851	3.306	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000102736480	524054393	/nfs/dbraw/zinc/05/43/93/524054393.db2.gz	LCDJTGCXXOBNBJ-WOOAAIBNSA-N	0	3	393.443	3.134	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1	ZINC000102873820	524054856	/nfs/dbraw/zinc/05/48/56/524054856.db2.gz	GOBFVPMAXGXTLT-SELCWUDQSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1	ZINC000019972668	524054891	/nfs/dbraw/zinc/05/48/91/524054891.db2.gz	CMQQTIDPWQRXBS-GOSISDBHSA-N	0	3	399.878	3.265	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)cc1	ZINC000019885097	524055052	/nfs/dbraw/zinc/05/50/52/524055052.db2.gz	JANOVBGUJVVQCM-KRWDZBQOSA-N	0	3	388.851	3.463	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000020024161	524055092	/nfs/dbraw/zinc/05/50/92/524055092.db2.gz	FAEFBKHSLHEKGV-LJQANCHMSA-N	0	3	382.435	3.356	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1	ZINC000019582323	524055447	/nfs/dbraw/zinc/05/54/47/524055447.db2.gz	UPMXZKWLZAWDRK-OAHLLOKOSA-N	0	3	376.503	3.340	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)cc1	ZINC000019885099	524055553	/nfs/dbraw/zinc/05/55/53/524055553.db2.gz	JANOVBGUJVVQCM-QGZVFWFLSA-N	0	3	388.851	3.463	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	ZINC000019882754	524055756	/nfs/dbraw/zinc/05/57/56/524055756.db2.gz	BSUJDTISSWRXHX-QGZVFWFLSA-N	0	3	388.464	3.417	50	30		GGEAHN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000005576794	524105351	/nfs/dbraw/zinc/10/53/51/524105351.db2.gz	NXYVRHWTYLNGSZ-YDJIHCHBSA-N	0	3	394.471	3.069	50	30		GGEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000013551159	524108840	/nfs/dbraw/zinc/10/88/40/524108840.db2.gz	QQRMQXIIRFVHRX-HXUWFJFHSA-N	0	3	394.471	3.144	50	30		GGEAHN
COc1ccccc1/N=C(/C)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1	ZINC000013399884	524328310	/nfs/dbraw/zinc/32/83/10/524328310.db2.gz	COTPPEBGNRIJCC-STZFKDTASA-N	0	3	395.912	3.309	50	30		GGEAHN
COc1cccc(/N=C(/C)N(C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000013399848	525777027	/nfs/dbraw/zinc/77/70/27/525777027.db2.gz	URSYVFXHAXNGEX-STZFKDTASA-N	0	3	395.912	3.309	50	30		GGEAHN
COc1cccc2c1OCCCN(C1CCN(c3cc(C#N)ccn3)CC1)C2	ZINC000095499664	536960753	/nfs/dbraw/zinc/96/07/53/536960753.db2.gz	RFRCYJUYKFTNLE-UHFFFAOYSA-N	0	3	378.476	3.215	50	30		GGEAHN
Cc1ccc(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c(Br)c1	ZINC000005009277	564210239	/nfs/dbraw/zinc/21/02/39/564210239.db2.gz	KDUQMVSGZCBXFW-UHFFFAOYSA-N	0	3	383.249	3.350	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1	ZINC000005408677	570585919	/nfs/dbraw/zinc/58/59/19/570585919.db2.gz	NOKCCBRUNPESDG-SELCWUDQSA-N	0	3	399.878	3.108	50	30		GGEAHN
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000006813191	570617048	/nfs/dbraw/zinc/61/70/48/570617048.db2.gz	FQOCGZPWYAWRND-SELCWUDQSA-N	0	3	384.501	3.430	50	30		GGEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1	ZINC000006812684	570617184	/nfs/dbraw/zinc/61/71/84/570617184.db2.gz	YOGJSJCRYYHUKQ-YDJIHCHBSA-N	0	3	390.439	3.416	50	30		GGEAHN
C=CCN1CC2(CCC1=O)CCN(Cc1cccc(Cn3cccn3)c1)CC2	ZINC000091575421	570984177	/nfs/dbraw/zinc/98/41/77/570984177.db2.gz	CGDSOHSQYXSQGD-UHFFFAOYSA-N	0	3	378.520	3.322	50	30		GGEAHN
COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12	ZINC000230023415	1433372413	/nfs/dbraw/zinc/37/24/13/1433372413.db2.gz	AQSSCMNLIVYIHH-ULOCFDLRSA-N	0	3	385.504	3.312	50	30	biogenic	GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	ZINC000006812674	230852097	/nfs/dbraw/zinc/85/20/97/230852097.db2.gz	HENZZUHAHPAWRH-HVESIFNPSA-N	0	3	388.464	3.261	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(C)Cc1ccco1)C2	ZINC000014747491	212099896	/nfs/dbraw/zinc/09/98/96/212099896.db2.gz	RFSWDCVMTICERY-KRWDZBQOSA-N	0	3	382.508	3.278	50	30		GGEAHN
C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1	ZINC000014540139	212098894	/nfs/dbraw/zinc/09/88/94/212098894.db2.gz	QNUQVQUWHFCZIF-KRWDZBQOSA-N	0	3	382.508	3.300	50	30		GGEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000012712260	212097879	/nfs/dbraw/zinc/09/78/79/212097879.db2.gz	USUTYJNZEIHMSL-HXUWFJFHSA-N	0	3	380.488	3.044	50	30		GGEAHN
CCCN(CCC)c1nc2ccccc2nc1C(C#N)C(=O)O[C@H](C)COC	ZINC000002326499	220521428	/nfs/dbraw/zinc/52/14/28/220521428.db2.gz	GFNAPRNKVNGSSL-CVEARBPZSA-N	0	3	384.480	3.441	50	30		GGEAHN
COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12	ZINC000012885981	221241698	/nfs/dbraw/zinc/24/16/98/221241698.db2.gz	AQSSCMNLIVYIHH-WYXPGKNVSA-N	0	3	385.504	3.312	50	30	biogenic	GGEAHN
N#Cc1cc2c(ccn(CC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)c2=O)[n-]c1=O	ZINC000067696103	222156069	/nfs/dbraw/zinc/15/60/69/222156069.db2.gz	JWIKYADCDSGMMR-IBGZPJMESA-N	0	3	388.471	3.006	50	30		GGEAHN
N#Cc1cc2c(ccn(CC[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2=O)[n-]c1=O	ZINC000067696103	222156072	/nfs/dbraw/zinc/15/60/72/222156072.db2.gz	JWIKYADCDSGMMR-IBGZPJMESA-N	0	3	388.471	3.006	50	30		GGEAHN
Cc1c(CN2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)cc(C#N)n1C	ZINC000072425024	222259014	/nfs/dbraw/zinc/25/90/14/222259014.db2.gz	RCYZUIYWJLAGPM-QHCPKHFHSA-N	0	3	391.519	3.005	50	30		GGEAHN
C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3cccc(OC)c3)CC2)C1=O	ZINC000011815141	518604231	/nfs/dbraw/zinc/60/42/31/518604231.db2.gz	QRZBRIVCMWPAPE-JOCHJYFZSA-N	0	3	385.508	3.184	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1	ZINC000102496557	520651912	/nfs/dbraw/zinc/65/19/12/520651912.db2.gz	CRSAEGFTRIIUKS-LFVOPCPISA-N	0	3	398.459	3.052	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000005488633	520654061	/nfs/dbraw/zinc/65/40/61/520654061.db2.gz	SNROMZNIKATNNH-YDJIHCHBSA-N	0	3	378.472	3.450	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000005488633	520654065	/nfs/dbraw/zinc/65/40/65/520654065.db2.gz	SNROMZNIKATNNH-YDJIHCHBSA-N	0	3	378.472	3.450	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000020229346	520656416	/nfs/dbraw/zinc/65/64/16/520656416.db2.gz	GGCVFDQIQFXQEN-IBGZPJMESA-N	0	3	397.450	3.141	50	30		GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1	ZINC000020135384	520660034	/nfs/dbraw/zinc/66/00/34/520660034.db2.gz	MCZUYDYQZZTJQU-QGZVFWFLSA-N	0	3	385.489	3.063	50	30		GGEAHN
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1	ZINC000019973851	521317653	/nfs/dbraw/zinc/31/76/53/521317653.db2.gz	UACBWNADNYWJEV-IBGZPJMESA-N	0	3	398.459	3.208	50	30		GGEAHN
CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000019999632	521424612	/nfs/dbraw/zinc/42/46/12/521424612.db2.gz	SJOJGVKPZKVKDC-IBGZPJMESA-N	0	3	398.459	3.208	50	30		GGEAHN
CN(C)c1ccc(/C=N/N(C)CCN(C)/N=C/c2ccc(N(C)C)cc2)cc1	ZINC000002898510	522132062	/nfs/dbraw/zinc/13/20/62/522132062.db2.gz	AXMSBPGDLMGFGN-GJHDBBOXSA-N	0	3	380.540	3.050	50	30		GGEAHN
CCc1ccc(CC2SC(NN=Cc3ccc([N+](=O)[O-])cc3)=NC2=O)cc1	ZINC000006168762	523951412	/nfs/dbraw/zinc/95/14/12/523951412.db2.gz	AZJUAASYOKCKHR-RONKMWSCSA-N	0	3	382.445	3.321	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1	ZINC000005576819	524053903	/nfs/dbraw/zinc/05/39/03/524053903.db2.gz	OIEZGYRDHOAANU-HVESIFNPSA-N	0	3	388.464	3.261	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1	ZINC000019927882	524054726	/nfs/dbraw/zinc/05/47/26/524054726.db2.gz	LPHWJZHYJRGVJS-KRWDZBQOSA-N	0	3	388.851	3.463	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	ZINC000019882752	524055452	/nfs/dbraw/zinc/05/54/52/524055452.db2.gz	BSUJDTISSWRXHX-KRWDZBQOSA-N	0	3	388.464	3.417	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1	ZINC000020441304	524055647	/nfs/dbraw/zinc/05/56/47/524055647.db2.gz	UMMGRQBLSCZITP-GOSISDBHSA-N	0	3	399.878	3.265	50	30		GGEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)c1	ZINC000019973843	525781251	/nfs/dbraw/zinc/78/12/51/525781251.db2.gz	QQAMYJKVTJVHCI-IBGZPJMESA-N	0	3	398.459	3.127	50	30		GGEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1	ZINC000020231587	525782205	/nfs/dbraw/zinc/78/22/05/525782205.db2.gz	CNMKKKSAOGOYRW-FQEVSTJZSA-N	0	3	394.471	3.144	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2	ZINC000014541768	570244728	/nfs/dbraw/zinc/24/47/28/570244728.db2.gz	VJTYYHHYKLKXQV-IBGZPJMESA-N	0	3	396.510	3.481	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2	ZINC000014531629	570244821	/nfs/dbraw/zinc/24/48/21/570244821.db2.gz	XGKNDYGXJMPLRG-GOSISDBHSA-N	0	3	382.483	3.091	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1cccnc1)C2	ZINC000014745973	570245647	/nfs/dbraw/zinc/24/56/47/570245647.db2.gz	FZEVQMHIPGWCPT-LJQANCHMSA-N	0	3	393.535	3.127	50	30		GGEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccccc1F)C2	ZINC000014753867	570246146	/nfs/dbraw/zinc/24/61/46/570246146.db2.gz	XFRGXHYBLYRUCW-SFHVURJKSA-N	0	3	396.510	3.481	50	30		GGEAHN
C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1	ZINC000014742859	570246203	/nfs/dbraw/zinc/24/62/03/570246203.db2.gz	HLWODXNFWNCSTH-LJQANCHMSA-N	0	3	378.520	3.017	50	30		GGEAHN
CN(C)c1ccc(C=NN(C)CCN(C)N=Cc2ccc(N(C)C)cc2)cc1	ZINC000254794081	570294932	/nfs/dbraw/zinc/29/49/32/570294932.db2.gz	AXMSBPGDLMGFGN-UHFFFAOYSA-N	0	3	380.540	3.050	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1	ZINC000005408686	570585727	/nfs/dbraw/zinc/58/57/27/570585727.db2.gz	KMNCXZHRKDSUQS-GHNGSUTGSA-N	0	3	399.878	3.108	50	30		GGEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1	ZINC000005408687	570585847	/nfs/dbraw/zinc/58/58/47/570585847.db2.gz	NOKCCBRUNPESDG-GHNGSUTGSA-N	0	3	399.878	3.108	50	30		GGEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1	ZINC000005799815	570692947	/nfs/dbraw/zinc/69/29/47/570692947.db2.gz	KDHUKQMDHZGILD-YDJIHCHBSA-N	0	3	394.471	3.069	50	30		GGEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1	ZINC000005799841	570692974	/nfs/dbraw/zinc/69/29/74/570692974.db2.gz	KDHUKQMDHZGILD-NHFXJNLRSA-N	0	3	394.471	3.069	50	30		GGEAHN
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1	ZINC000013065770	570744782	/nfs/dbraw/zinc/74/47/82/570744782.db2.gz	VELANZKPKPTLCS-LJQANCHMSA-N	0	3	382.460	3.426	50	30		GGEAHN
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1	ZINC000019131954	570847511	/nfs/dbraw/zinc/84/75/11/570847511.db2.gz	VELANZKPKPTLCS-IBGZPJMESA-N	0	3	382.460	3.426	50	30		GGEAHN
COc1ccccc1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21	ZINC000004028513	1398376833	/nfs/dbraw/zinc/37/68/33/1398376833.db2.gz	FOEBWTIHOHDNTR-YFDXYBJUSA-N	0	3	385.504	3.310	50	30	biogenic	GGEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000020191207	1399343439	/nfs/dbraw/zinc/34/34/39/1399343439.db2.gz	OLDHXSYENNHXFL-IBGZPJMESA-N	0	3	397.450	3.141	50	30		GGEAHN
Cc1cnc(CN2C[C@]3(CCCN(Cc4cccc(C#N)c4)C3)CCC2=O)cn1	ZINC000091585589	1410074288	/nfs/dbraw/zinc/07/42/88/1410074288.db2.gz	KSDQVAXNEJIEJR-HSZRJFAPSA-N	0	3	389.503	3.062	50	30		GGEAHN
Cc1ccc(C#N)c(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1	ZINC000095375944	1410309820	/nfs/dbraw/zinc/30/98/20/1410309820.db2.gz	LOSTVYDAJAOTNO-VLCRHTCISA-N	0	3	388.471	3.057	50	30		GGEAHN