smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(=O)n(C)c(=O)n1C	ZINC000019288677	210237272	/nfs/dbraw/zinc/23/72/72/210237272.db2.gz	AATKNFOTUPSBLI-UHFFFAOYSA-N	0	3	388.424	0.017	40	0		GCABHN
COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@@]1(C)CCS(=O)(=O)C1	ZINC000575421087	530687749	/nfs/dbraw/zinc/68/77/49/530687749.db2.gz	HSPDDKWJLWSTEA-HNNXBMFYSA-N	0	3	376.500	0.530	40	0		GCABHN
CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1	ZINC000008299088	291099947	/nfs/dbraw/zinc/09/99/47/291099947.db2.gz	SPBKBDMODIUIFB-XHSDSOJGSA-N	0	3	376.505	0.538	40	0	biogenic,in-vitro	GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2ccccn2)C1	ZINC000306140472	212052724	/nfs/dbraw/zinc/05/27/24/212052724.db2.gz	UUMUXYXLXXQCID-NRFANRHFSA-N	0	3	390.447	0.791	40	0		GCABHN
CN1[C@@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1	ZINC000035442507	204220718	/nfs/dbraw/zinc/22/07/18/204220718.db2.gz	VNPZDWHDXAZEPE-JZXOWHBKSA-N	0	3	380.533	0.545	40	0	biogenic,in-vitro	GCABHN
CC(=O)N1CCN([C@H]2CCN(C(=O)c3[nH]nc4ccccc43)CC[C@@H]2O)CC1	ZINC000257275307	212015442	/nfs/dbraw/zinc/01/54/42/212015442.db2.gz	NOVDDMGCFBMSHQ-ROUUACIJSA-N	0	3	385.468	0.693	40	0		GCABHN
CN(C)CCNc1nc(NCCN2CCN(C)CC2)cc(-c2ccncc2)n1	ZINC000329023951	209157861	/nfs/dbraw/zinc/15/78/61/209157861.db2.gz	OWVWRUAEZICMNH-UHFFFAOYSA-N	0	3	384.532	0.015	40	0		GCABHN
CS(=O)(=O)NCC(=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1	ZINC000257279567	206172310	/nfs/dbraw/zinc/17/23/10/206172310.db2.gz	OHGBTPGPKIICPT-AWEZNQCLSA-N	0	3	383.461	0.010	40	0		GCABHN
CN1CCN(C[C@@]2(O)CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)CC1	ZINC000257255299	206167670	/nfs/dbraw/zinc/16/76/70/206167670.db2.gz	KGZFCYGSOKWDFM-OAQYLSRUSA-N	0	3	388.512	0.881	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2ccco2)C1	ZINC000306127117	206196546	/nfs/dbraw/zinc/19/65/46/206196546.db2.gz	FOSFIPYIUOKVPS-FQEVSTJZSA-N	0	3	379.420	0.989	40	0		GCABHN
O=c1c(=O)n(Cc2ccncc2)nc2n1CC[C@@]21CCN(Cc2cccnc2)C1	ZINC000306129561	206198305	/nfs/dbraw/zinc/19/83/05/206198305.db2.gz	IGXRUDCVNIAOEI-OAQYLSRUSA-N	0	3	390.447	0.791	40	0		GCABHN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]2(CC[C@@H](CN(C)C)O2)C1	ZINC000306141032	206204379	/nfs/dbraw/zinc/20/43/79/206204379.db2.gz	VJJVLKPTQGMCGH-RDJZCZTQSA-N	0	3	386.518	0.537	40	0		GCABHN
Cc1c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CN3CCCC3)CC2)cnn1C	ZINC000019661061	210280204	/nfs/dbraw/zinc/28/02/04/210280204.db2.gz	VVLDLOONZILRSQ-AWEZNQCLSA-N	0	3	397.545	0.730	40	0		GCABHN
CN(C)CCN(C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cnc3ccccc3c2)[C@@H]1O	ZINC000022920774	560092002	/nfs/dbraw/zinc/09/20/02/560092002.db2.gz	UIXWIIMZDPANES-SSSFQFABSA-N	0	3	386.496	0.671	40	0	biogenic,in-vitro	GCABHN
Cc1nc(N[C@@H](C)CO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000328979152	570210399	/nfs/dbraw/zinc/21/03/99/570210399.db2.gz	GDBBSXCBMQUQGT-NSHDSACASA-N	0	3	377.470	0.788	40	0		GCABHN
CCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(=O)NC)C2	ZINC000096145247	570213801	/nfs/dbraw/zinc/21/38/01/570213801.db2.gz	WDVACQFHCFAFHV-UHFFFAOYSA-N	0	3	381.498	0.918	40	0		GCABHN
CN(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1	ZINC000096251324	570224532	/nfs/dbraw/zinc/22/45/32/570224532.db2.gz	AXCXDFXCCSVTFN-APWZRJJASA-N	0	3	376.505	0.704	40	0		GCABHN
COc1cc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)ccc1OCCN(C)C	ZINC000585271702	570241919	/nfs/dbraw/zinc/24/19/19/570241919.db2.gz	GQYSVWDABHLVMH-OALUTQOASA-N	0	3	392.544	0.428	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3)C2)CC1	ZINC000585278655	570246462	/nfs/dbraw/zinc/24/64/62/570246462.db2.gz	PWPOHYAFXPLEAB-FQEVSTJZSA-N	0	3	378.469	0.502	40	0		GCABHN
COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@@H](CO)C3)CC2)c1	ZINC000585283369	570251177	/nfs/dbraw/zinc/25/11/77/570251177.db2.gz	NUDOBWYWRZKVAK-SFHVURJKSA-N	0	3	391.512	0.799	40	0		GCABHN
CC(C)N1CCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1	ZINC000585283861	570251941	/nfs/dbraw/zinc/25/19/41/570251941.db2.gz	IIVLXPVUNMROJQ-PZJWPPBQSA-N	0	3	375.513	0.579	40	0		GCABHN
O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(CN2CCC(CO)CC2)C1	ZINC000585284547	570253375	/nfs/dbraw/zinc/25/33/75/570253375.db2.gz	GAAQUONEIUXHLI-CTNGQTDRSA-N	0	3	376.497	0.648	40	0		GCABHN
COc1ccccc1CNC(=O)C(=O)NCC1CCN([C@H]2CCOC2)CC1	ZINC000575616566	570357400	/nfs/dbraw/zinc/35/74/00/570357400.db2.gz	QIMOMJZRAZMDEA-KRWDZBQOSA-N	0	3	375.469	0.929	40	0		GCABHN
C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000033831575	570422561	/nfs/dbraw/zinc/42/25/61/570422561.db2.gz	HRSGCYGUWHGOPY-RGIUITQUSA-N	0	3	397.468	0.305	40	0		GCABHN
COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)c2ccc(OC)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465288	575367512	/nfs/dbraw/zinc/36/75/12/575367512.db2.gz	SUWIEMBPUFARBL-GYFISPQKSA-N	0	3	394.468	0.025	40	0	biogenic,in-vitro	GCABHN
COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)Nc2ccccc2)O[C@@H](CO)[C@H]1O	ZINC000020465313	575367978	/nfs/dbraw/zinc/36/79/78/575367978.db2.gz	NBVJFRFUBZDJOJ-DFBDCSAJSA-N	0	3	379.457	0.408	40	0	biogenic,in-vitro	GCABHN
CN(C)C(=O)[C@@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1	ZINC000585285258	530245063	/nfs/dbraw/zinc/24/50/63/530245063.db2.gz	WUBIKFYSVIRZGQ-OAHLLOKOSA-N	0	3	375.535	0.353	40	0		GCABHN
COc1ccc(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1	ZINC000575426671	530690012	/nfs/dbraw/zinc/69/00/12/530690012.db2.gz	YBQZEONAICZNIA-HNNXBMFYSA-N	0	3	392.499	0.230	40	0		GCABHN
CN(C)CCNC(=O)c1cnc2n1C[C@@H](NC(=O)c1cccc(N(C)C)c1)CC2	ZINC000306141323	212054678	/nfs/dbraw/zinc/05/46/78/212054678.db2.gz	VRZSGXPSZICNJY-INIZCTEOSA-N	0	3	398.511	0.985	40	0		GCABHN
CCN(CC)CCOC(=O)CN(S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000005469562	204134061	/nfs/dbraw/zinc/13/40/61/204134061.db2.gz	LINFLIYHVHVDQS-UHFFFAOYSA-N	0	3	392.499	0.522	40	0		GCABHN
CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(CN3CCN(C)CC3)CC2)cn1	ZINC000257220400	206160708	/nfs/dbraw/zinc/16/07/08/206160708.db2.gz	DKRCOEDOSQHXTH-FQEVSTJZSA-N	0	3	389.500	0.645	40	0		GCABHN
CC(=O)N[C@]12CN(C(=O)C3CN(C(C)=O)C3)[C@H](c3ccccc3)[C@H]1CCN(C)C2	ZINC000257316541	206178910	/nfs/dbraw/zinc/17/89/10/206178910.db2.gz	VGAKLSLEADUWKM-KCZVDYSFSA-N	0	3	398.507	0.875	40	0		GCABHN
Cn1cc(CN2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1	ZINC000306141057	206206760	/nfs/dbraw/zinc/20/67/60/206206760.db2.gz	VKMYLVWLVZRZIS-IBGZPJMESA-N	0	3	398.492	0.796	40	0		GCABHN
CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CN2CCCCCC2=O)CC3)C1	ZINC000019709281	210284847	/nfs/dbraw/zinc/28/48/47/210284847.db2.gz	CTFDNYBAIPHTJW-MRXNPFEDSA-N	0	3	388.516	0.875	40	0		GCABHN
CC1CC[NH+](CC(=O)N2CCc3c(nc(N4CCOCC4)[n-]c3=O)C2)CC1	ZINC000072346911	136168872	/nfs/dbraw/zinc/16/88/72/136168872.db2.gz	SAOTVBNRHBZADC-UHFFFAOYSA-N	0	3	375.473	0.223	40	0		GCABHN
CN(C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)CC3CC3)CC2)O1	ZINC000096243742	570223757	/nfs/dbraw/zinc/22/37/57/570223757.db2.gz	RFWWUBPFWULYPI-MRXNPFEDSA-N	0	3	389.500	0.578	40	0		GCABHN
COc1cccc(N2CCC(O)(CN3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1	ZINC000585282507	570250529	/nfs/dbraw/zinc/25/05/29/570250529.db2.gz	FIYSJVGNXMZECJ-ROUUACIJSA-N	0	3	375.469	0.568	40	0		GCABHN
O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1	ZINC000585285483	570254897	/nfs/dbraw/zinc/25/48/97/570254897.db2.gz	KBKBSAMWRGCYKS-ICSRJNTNSA-N	0	3	396.915	0.911	40	0		GCABHN
CCOC(=O)C1=C([O-])NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(F)cc1	ZINC000020674691	570274846	/nfs/dbraw/zinc/27/48/46/570274846.db2.gz	ZJEIFNBWZMJZNZ-GJZGRUSLSA-N	0	3	376.388	0.306	40	0		GCABHN
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1	ZINC000022523480	570320265	/nfs/dbraw/zinc/32/02/65/570320265.db2.gz	GLZXKBZYJMLNFX-UHFFFAOYSA-N	0	3	397.545	0.297	40	0		GCABHN
COc1cccc(C2(O)CCN(CCNC(=O)CN3CCN(C)CC3)CC2)c1	ZINC000022914943	570334724	/nfs/dbraw/zinc/33/47/24/570334724.db2.gz	SUWCXFUTLCKWGA-UHFFFAOYSA-N	0	3	390.528	0.342	40	0		GCABHN
C[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000022934801	570338005	/nfs/dbraw/zinc/33/80/05/570338005.db2.gz	ZIAARKYDYSPVEE-MRXNPFEDSA-N	0	3	382.530	0.595	40	0		GCABHN
COc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1	ZINC000022935165	570338225	/nfs/dbraw/zinc/33/82/25/570338225.db2.gz	GLDTVTWZYUULKP-UHFFFAOYSA-N	0	3	398.529	0.215	40	0		GCABHN
COCCOc1cc(CN[C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OC	ZINC000257220391	570487102	/nfs/dbraw/zinc/48/71/02/570487102.db2.gz	DKPZBHMIPUHNJO-BRWVUGGUSA-N	0	3	382.457	0.153	40	0		GCABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(Cl)c1	ZINC000013640109	570863201	/nfs/dbraw/zinc/86/32/01/570863201.db2.gz	DHVRIOIHHNCQHE-GJZGRUSLSA-N	0	3	392.843	0.820	40	0		GCABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(Cl)c1	ZINC000013640104	570863261	/nfs/dbraw/zinc/86/32/61/570863261.db2.gz	DHVRIOIHHNCQHE-LSDHHAIUSA-N	0	3	392.843	0.820	40	0		GCABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1cccc(Cl)c1	ZINC000013640102	570863266	/nfs/dbraw/zinc/86/32/66/570863266.db2.gz	DHVRIOIHHNCQHE-HUUCEWRRSA-N	0	3	392.843	0.820	40	0		GCABHN
O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1	ZINC000585103640	570929161	/nfs/dbraw/zinc/92/91/61/570929161.db2.gz	HTEWCSSRZWCSSP-JKSUJKDBSA-N	0	3	381.498	0.708	40	0		GCABHN
COc1nn(Cc2cc(=O)[n-]c(N(C)CC[NH+](C)C)n2)c(=O)c2ccccc21	ZINC000019717539	571040044	/nfs/dbraw/zinc/04/00/44/571040044.db2.gz	MBAVWLOVUUYTJG-UHFFFAOYSA-N	0	3	384.440	0.947	40	0		GCABHN
CN(CCc1ccccn1)[C@H]1[C@@H](CNCc2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020465918	575368491	/nfs/dbraw/zinc/36/84/91/575368491.db2.gz	YCJAUJWMANRGLC-IVAOSVALSA-N	0	3	389.471	0.974	40	0	biogenic,in-vitro	GCABHN
CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2ncccn2)CC1	ZINC001772595181	1187049969	/nfs/dbraw/zinc/04/99/69/1187049969.db2.gz	AGAPEFJEFZGAMT-MRXNPFEDSA-N	0	3	384.484	0.277	40	0		GCABHN
CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(S(C)(=O)=O)CC1	ZINC001772595609	1187054354	/nfs/dbraw/zinc/05/43/54/1187054354.db2.gz	HNYRDVVKNYVWJE-QGZVFWFLSA-N	0	3	392.525	0.397	40	0		GCABHN
O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298664	291102530	/nfs/dbraw/zinc/10/25/30/291102530.db2.gz	BBDWLIBQDLHGNW-LZQZEXGQSA-N	0	3	387.459	0.979	40	0	biogenic,in-vitro	GCABHN
CC1(C)O[C@H]2O[C@H]3[C@@H](O[C@@H](c4ccccc4)O[C@H]3CN(CCO)CCO)[C@H]2O1	ZINC000004777763	204075883	/nfs/dbraw/zinc/07/58/83/204075883.db2.gz	JPIUOZKQJVBYHJ-QZIZDEJHSA-N	0	3	395.452	0.632	40	0		GCABHN
CCCCS(=O)(=O)N(C)CC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1	ZINC000224316605	535329540	/nfs/dbraw/zinc/32/95/40/535329540.db2.gz	INANQELFUZPCBY-UHFFFAOYSA-N	0	3	398.533	0.253	40	0		GCABHN
CN1CCC(NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)CC1	ZINC000019751293	570215548	/nfs/dbraw/zinc/21/55/48/570215548.db2.gz	AHMLCOQNVDFHDY-UHFFFAOYSA-N	0	3	382.464	0.989	40	0		GCABHN
CCN(c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000096234485	570221832	/nfs/dbraw/zinc/22/18/32/570221832.db2.gz	IVQOZUXXEWNAOF-UHFFFAOYSA-N	0	3	382.530	0.840	40	0		GCABHN
CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCCN(C)C)Cn1ccnc12	ZINC000096263216	570226459	/nfs/dbraw/zinc/22/64/59/570226459.db2.gz	UFENRQNHECOVCN-OAHLLOKOSA-N	0	3	392.504	0.369	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3)C2)CC1	ZINC000585278658	570246434	/nfs/dbraw/zinc/24/64/34/570246434.db2.gz	PWPOHYAFXPLEAB-HXUWFJFHSA-N	0	3	378.469	0.502	40	0		GCABHN
CC(C)N1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1	ZINC000585283108	570251152	/nfs/dbraw/zinc/25/11/52/570251152.db2.gz	BWPPGNWHCUBBGC-FPOVZHCZSA-N	0	3	375.513	0.579	40	0		GCABHN
CN1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1	ZINC000022829584	570377644	/nfs/dbraw/zinc/37/76/44/570377644.db2.gz	CDWHCCIFWGPVDT-UHFFFAOYSA-N	0	3	386.493	0.345	40	0		GCABHN
CCOCCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000004897780	570636961	/nfs/dbraw/zinc/63/69/61/570636961.db2.gz	CQZOEAFFLZUUEY-UHFFFAOYSA-N	0	3	383.514	0.844	40	0		GCABHN
CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21	ZINC001772595573	1187054594	/nfs/dbraw/zinc/05/45/94/1187054594.db2.gz	GXOHPVMJKRMOEO-VYDXJSESSA-N	0	3	397.472	0.541	40	0		GCABHN
COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298285	1197439439	/nfs/dbraw/zinc/43/94/39/1197439439.db2.gz	DXYLHKJYJLLPTP-QGTPRVQTSA-N	0	3	385.468	0.806	40	0	biogenic,in-vitro	GCABHN
C[C@]1(N(CCN)S(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1	ZINC000575424572	530689127	/nfs/dbraw/zinc/68/91/27/530689127.db2.gz	BKFQDTLYGKHFIF-INIZCTEOSA-N	0	3	383.495	0.761	40	0		GCABHN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]2(CC[C@H](CN(C)C)O2)C1	ZINC000306141031	206205410	/nfs/dbraw/zinc/20/54/10/206205410.db2.gz	VJJVLKPTQGMCGH-NVXWUHKLSA-N	0	3	386.518	0.537	40	0		GCABHN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]2(CC[C@H](CN(C)C)O2)C1	ZINC000306141033	206206092	/nfs/dbraw/zinc/20/60/92/206206092.db2.gz	VJJVLKPTQGMCGH-WBVHZDCISA-N	0	3	386.518	0.537	40	0		GCABHN
CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCN(CCOC)CC1	ZINC000096113000	560061243	/nfs/dbraw/zinc/06/12/43/560061243.db2.gz	AOOWQADRATUIKN-RBUKOAKNSA-N	0	3	394.560	0.936	40	0	biogenic,in-vitro	GCABHN
CN1CCN(C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1	ZINC000585272278	570242556	/nfs/dbraw/zinc/24/25/56/570242556.db2.gz	KDJFJQQLIXAVIX-JOCHJYFZSA-N	0	3	388.556	0.703	40	0		GCABHN
COc1cccc(N2CCC(O)(CN3CCN(C(C)=O)C[C@H](CO)C3)CC2)c1	ZINC000585283367	570251199	/nfs/dbraw/zinc/25/11/99/570251199.db2.gz	NUDOBWYWRZKVAK-GOSISDBHSA-N	0	3	391.512	0.799	40	0		GCABHN
O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1	ZINC000585289355	570257417	/nfs/dbraw/zinc/25/74/17/570257417.db2.gz	FHBOYNGFHXWFTC-HKUYNNGSSA-N	0	3	382.888	0.982	40	0		GCABHN
Cc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1	ZINC000585291064	570259753	/nfs/dbraw/zinc/25/97/53/570259753.db2.gz	JCDXMKWDIPNMEG-MOPGFXCFSA-N	0	3	376.478	0.881	40	0		GCABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000020636922	570273841	/nfs/dbraw/zinc/27/38/41/570273841.db2.gz	VIFHQHJEURAUFJ-HZPDHXFCSA-N	0	3	388.424	0.175	40	0		GCABHN
Cc1ccc(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1	ZINC000022933753	570337580	/nfs/dbraw/zinc/33/75/80/570337580.db2.gz	JCXOBKCKSDPLAR-QGZVFWFLSA-N	0	3	396.557	0.903	40	0		GCABHN
CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1	ZINC000008254392	570525984	/nfs/dbraw/zinc/52/59/84/570525984.db2.gz	PVVIUQWTKSXPIV-ZACQAIPSSA-N	0	3	397.483	0.303	40	0	biogenic,in-vitro	GCABHN
O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1	ZINC000585103638	570929150	/nfs/dbraw/zinc/92/91/50/570929150.db2.gz	HTEWCSSRZWCSSP-HZPDHXFCSA-N	0	3	381.498	0.708	40	0		GCABHN
COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1ccccc1)CC2	ZINC001772595336	1187053441	/nfs/dbraw/zinc/05/34/41/1187053441.db2.gz	NNAYKUYDBKNZDM-GOSISDBHSA-N	0	3	386.496	0.724	40	0		GCABHN
CN(C)C(=O)[C@H]1CN(CC2(O)CCCCCC2)CCN(S(C)(=O)=O)C1	ZINC000585285249	530245157	/nfs/dbraw/zinc/24/51/57/530245157.db2.gz	WUBIKFYSVIRZGQ-HNNXBMFYSA-N	0	3	375.535	0.353	40	0		GCABHN
COc1ccc(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c(OC)c1	ZINC000575426672	530690347	/nfs/dbraw/zinc/69/03/47/530690347.db2.gz	YBQZEONAICZNIA-OAHLLOKOSA-N	0	3	392.499	0.230	40	0		GCABHN
COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298252	291101874	/nfs/dbraw/zinc/10/18/74/291101874.db2.gz	CUSXVLGJEXPUGN-IPELMVKDSA-N	0	3	399.495	0.848	40	0	biogenic,in-vitro	GCABHN
CCCNC(=O)c1nnc2n1CC1(CCN(Cc3cnn(C)c3)CC1)COC2	ZINC000306125007	212044603	/nfs/dbraw/zinc/04/46/03/212044603.db2.gz	CELDJVYKPRIYPV-UHFFFAOYSA-N	0	3	387.488	0.964	40	0		GCABHN
Nc1ccc(S(=O)(=O)c2ccc(NCNc3nc(N)nc(N)n3)cc2)cc1	ZINC000004522561	204051427	/nfs/dbraw/zinc/05/14/27/204051427.db2.gz	ALKZXFMOUFAICT-UHFFFAOYSA-N	0	3	386.441	0.933	40	0		GCABHN
COc1ccc(CN(Cc2c(C)n(C)c(=O)n(C)c2=O)C[C@H](C)O)cc1OC	ZINC000012185518	204380290	/nfs/dbraw/zinc/38/02/90/204380290.db2.gz	PVPOZPZUDJDRGW-ZDUSSCGKSA-N	0	3	391.468	0.793	40	0		GCABHN
CC(=O)N1CCC[C@@H]1C(=O)N1CC(C(=O)NCc2ccccc2CN(C)C)C1	ZINC000072344618	205329761	/nfs/dbraw/zinc/32/97/61/205329761.db2.gz	ZLHYUXLGXOGRSR-LJQANCHMSA-N	0	3	386.496	0.834	40	0		GCABHN
O=C(CN1C(=O)CNC1=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1	ZINC000257310402	206176518	/nfs/dbraw/zinc/17/65/18/206176518.db2.gz	UEXUQSKFKHFEPR-MRXNPFEDSA-N	0	3	388.415	0.013	40	0		GCABHN
O=c1c(=O)n(Cc2ccncc2)nc2n1CC[C@]21CCN(Cc2cccnc2)C1	ZINC000306129560	206199216	/nfs/dbraw/zinc/19/92/16/206199216.db2.gz	IGXRUDCVNIAOEI-NRFANRHFSA-N	0	3	390.447	0.791	40	0		GCABHN
COC(=O)c1cccc(CN2CC3(C2)CN(CCCO)C[C@@H]2C[C@@H](O)CN23)c1	ZINC000514290168	560030249	/nfs/dbraw/zinc/03/02/49/560030249.db2.gz	UXQANVYUJVTTBT-RBUKOAKNSA-N	0	3	389.496	0.161	40	0	biogenic,in-vitro	GCABHN
COC(=O)c1cccc(CN2CC3(C2)CN(CCCO)C[C@H]2C[C@@H](O)CN23)c1	ZINC000514290170	560030278	/nfs/dbraw/zinc/03/02/78/560030278.db2.gz	UXQANVYUJVTTBT-RTBURBONSA-N	0	3	389.496	0.161	40	0	biogenic,in-vitro	GCABHN
COCc1cn(C[C@H]2C[C@@H](NCc3cn(C)c4ccccc34)[C@H](O)[C@@H]2O)nn1	ZINC000225501773	560042369	/nfs/dbraw/zinc/04/23/69/560042369.db2.gz	RICBGTYILVSNIO-HSGBFHSBSA-N	0	3	385.468	0.816	40	0	biogenic,in-vitro	GCABHN
CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3cnc4ccccc4c3)[C@@H]2O)CC1	ZINC000022920754	560091975	/nfs/dbraw/zinc/09/19/75/560091975.db2.gz	QQEIZCXKPWBDFH-SSSFQFABSA-N	0	3	384.480	0.425	40	0	biogenic,in-vitro	GCABHN
COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCN(C)C)[C@H]2O)cc1	ZINC000020463958	560092725	/nfs/dbraw/zinc/09/27/25/560092725.db2.gz	RXXQJQDZMVGLPX-HSFUPAIVSA-N	0	3	394.472	0.163	40	0	biogenic,in-vitro	GCABHN
COCCOc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OC	ZINC000585269588	570237760	/nfs/dbraw/zinc/23/77/60/570237760.db2.gz	AASWYQNQYJHFJX-HXUWFJFHSA-N	0	3	380.485	0.989	40	0		GCABHN
CN1CCN([C@H]2CN(Cc3ccc(OCCn4cccn4)cc3)C[C@@H]2O)CC1	ZINC000585270586	570239337	/nfs/dbraw/zinc/23/93/37/570239337.db2.gz	MWFBBPUVPSQIML-SFTDATJTSA-N	0	3	385.512	0.755	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1	ZINC000585284222	570253430	/nfs/dbraw/zinc/25/34/30/570253430.db2.gz	VVGSOQHEWAXPNU-FPOVZHCZSA-N	0	3	392.496	0.545	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1	ZINC000585284872	570254194	/nfs/dbraw/zinc/25/41/94/570254194.db2.gz	ABSMEJQOUIEKLB-HXUWFJFHSA-N	0	3	396.459	0.641	40	0		GCABHN
CC(C)N1CCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1	ZINC000585291215	570259786	/nfs/dbraw/zinc/25/97/86/570259786.db2.gz	LSLSBHDEQAGDPV-CTNGQTDRSA-N	0	3	375.513	0.579	40	0		GCABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(Cl)cc1	ZINC000020637054	570273837	/nfs/dbraw/zinc/27/38/37/570273837.db2.gz	NYJINFLWUYXNNF-HUUCEWRRSA-N	0	3	392.843	0.820	40	0		GCABHN
CN1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000113958672	570336713	/nfs/dbraw/zinc/33/67/13/570336713.db2.gz	XMYFUUAGLPABDN-UHFFFAOYSA-N	0	3	381.498	0.673	40	0		GCABHN
Cc1cccc(C)c1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O	ZINC000022934633	570338272	/nfs/dbraw/zinc/33/82/72/570338272.db2.gz	KAZLNYKIAXDQAZ-UHFFFAOYSA-N	0	3	396.557	0.823	40	0		GCABHN
C[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000022934805	570338363	/nfs/dbraw/zinc/33/83/63/570338363.db2.gz	ZIAARKYDYSPVEE-INIZCTEOSA-N	0	3	382.530	0.595	40	0		GCABHN
CC1(C)O[C@H]2O[C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3CN(CCO)CCO)[C@@H]2O1	ZINC000004777762	570405349	/nfs/dbraw/zinc/40/53/49/570405349.db2.gz	JPIUOZKQJVBYHJ-CABLIKTCSA-N	0	3	395.452	0.632	40	0		GCABHN
COC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1	ZINC000010157545	570566304	/nfs/dbraw/zinc/56/63/04/570566304.db2.gz	QAHLLXMHQUEZSI-CVEARBPZSA-N	0	3	394.435	0.615	40	0		GCABHN
COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298283	1185928019	/nfs/dbraw/zinc/92/80/19/1185928019.db2.gz	DXYLHKJYJLLPTP-OLMNPRSZSA-N	0	3	385.468	0.806	40	0	biogenic,in-vitro	GCABHN
CC(=O)N1CCN(c2nnc(C)c3cc(C(=O)NCCN(C)C)ccc32)CC1	ZINC000306131686	212049753	/nfs/dbraw/zinc/04/97/53/212049753.db2.gz	KMJVVGDNYYZOKW-UHFFFAOYSA-N	0	3	384.484	0.898	40	0		GCABHN
CC(C)N1CCC2(CC1)c1nnc(C(=O)N3CCN(C)CC3)n1CCN2C	ZINC000306123634	212044870	/nfs/dbraw/zinc/04/48/70/212044870.db2.gz	ASRHHKWGDATKEU-UHFFFAOYSA-N	0	3	375.521	0.311	40	0		GCABHN
CS(=O)(=O)NCC(=O)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1	ZINC000257314207	212023877	/nfs/dbraw/zinc/02/38/77/212023877.db2.gz	UVTQLNOHSVIKKN-IBGZPJMESA-N	0	3	395.525	0.338	40	0		GCABHN
CC1(C)O[C@H]2O[C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3CN(CCO)CCO)[C@H]2O1	ZINC000004777761	204076219	/nfs/dbraw/zinc/07/62/19/204076219.db2.gz	JPIUOZKQJVBYHJ-UDFCFZJOSA-N	0	3	395.452	0.632	40	0		GCABHN
Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCCc2c(C)nc(N)[n-]c2=O)cc1	ZINC000005892386	204155353	/nfs/dbraw/zinc/15/53/53/204155353.db2.gz	MQRVGQUIRQRARL-UHFFFAOYSA-N	0	3	393.513	0.941	40	0		GCABHN
CN(C)CCn1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)c2cccnc21	ZINC000019583194	204661456	/nfs/dbraw/zinc/66/14/56/204661456.db2.gz	WHKKQZSKCYTVDU-HNNXBMFYSA-N	0	3	384.484	0.931	40	0		GCABHN
CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cccnc3)CN(C)C(=O)C2)CC1	ZINC000225406292	206045188	/nfs/dbraw/zinc/04/51/88/206045188.db2.gz	DAKZMEFSXPOYNX-RTBURBONSA-N	0	3	387.528	0.962	40	0	biogenic,in-vitro	GCABHN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCN(C)C	ZINC000225547234	206056350	/nfs/dbraw/zinc/05/63/50/206056350.db2.gz	KOKDFBZWUJCIOI-UHFFFAOYSA-N	0	3	399.513	0.327	40	0		GCABHN
CS(=O)(=O)NCC(=O)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1	ZINC000257314208	206178306	/nfs/dbraw/zinc/17/83/06/206178306.db2.gz	UVTQLNOHSVIKKN-LJQANCHMSA-N	0	3	395.525	0.338	40	0		GCABHN
Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]2(CC[C@@H](CN(C)C)O2)C1	ZINC000306141030	206204920	/nfs/dbraw/zinc/20/49/20/206204920.db2.gz	VJJVLKPTQGMCGH-DOTOQJQBSA-N	0	3	386.518	0.537	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2cccnc2)C1	ZINC000306133250	206200354	/nfs/dbraw/zinc/20/03/54/206200354.db2.gz	MGSDCNUYVAWELF-NRFANRHFSA-N	0	3	390.447	0.791	40	0		GCABHN
CN1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)N2C)CC1	ZINC000022923491	560091970	/nfs/dbraw/zinc/09/19/70/560091970.db2.gz	XQVDPIKSXKMCFD-SCTDSRPQSA-N	0	3	393.576	0.460	40	0	biogenic,in-vitro	GCABHN
CC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@@H](CO)C1	ZINC000585284413	570253315	/nfs/dbraw/zinc/25/33/15/570253315.db2.gz	RQGXVJXBMKBAHO-QGZVFWFLSA-N	0	3	379.476	0.930	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3C)C2)CC1	ZINC000585286688	570255643	/nfs/dbraw/zinc/25/56/43/570255643.db2.gz	HQLKPAOARFQCFZ-OAQYLSRUSA-N	0	3	392.496	0.811	40	0		GCABHN
O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(CCO)CC2)C1	ZINC000585290671	570258897	/nfs/dbraw/zinc/25/88/97/570258897.db2.gz	SOWBANUAOSEMJL-QUCCMNQESA-N	0	3	396.915	0.911	40	0		GCABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000020636931	570273686	/nfs/dbraw/zinc/27/36/86/570273686.db2.gz	VIFHQHJEURAUFJ-HOTGVXAUSA-N	0	3	388.424	0.175	40	0		GCABHN
CCN(CC)CCNCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000035314108	570324843	/nfs/dbraw/zinc/32/48/43/570324843.db2.gz	OQVGSORNHKCUHO-UHFFFAOYSA-N	0	3	396.557	0.759	40	0		GCABHN
C[C@@H]1CCN(C[C@@H]2CC3(CO2)CCN(C(=O)c2ncnn2C)CC3)C[C@H]1O	ZINC000585105096	570934095	/nfs/dbraw/zinc/93/40/95/570934095.db2.gz	XVJGXDOWKUQZPF-OWCLPIDISA-N	0	3	377.489	0.529	40	0		GCABHN
COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(Cc1cc(C)on1)CC2	ZINC001772595315	1187053587	/nfs/dbraw/zinc/05/35/87/1187053587.db2.gz	LVNGZQGFJSHIFZ-QGZVFWFLSA-N	0	3	377.489	0.380	40	0		GCABHN
COc1ccc(OC)c(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)c1	ZINC000575425140	530689036	/nfs/dbraw/zinc/68/90/36/530689036.db2.gz	YCZNWRCRPDJXQB-OAHLLOKOSA-N	0	3	392.499	0.230	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2cccnc2)C1	ZINC000306133251	212050065	/nfs/dbraw/zinc/05/00/65/212050065.db2.gz	MGSDCNUYVAWELF-OAQYLSRUSA-N	0	3	390.447	0.791	40	0		GCABHN
CN(C)CCNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2	ZINC000072389659	211108160	/nfs/dbraw/zinc/10/81/60/211108160.db2.gz	FUIXKLKMWDCHBX-FQEVSTJZSA-N	0	3	388.468	0.238	40	0		GCABHN
COCCOc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OC	ZINC000585269587	570237886	/nfs/dbraw/zinc/23/78/86/570237886.db2.gz	AASWYQNQYJHFJX-FQEVSTJZSA-N	0	3	380.485	0.989	40	0		GCABHN
COc1cc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCCN(C)C	ZINC000585273014	570241419	/nfs/dbraw/zinc/24/14/19/570241419.db2.gz	OLWLIIDNRQZVLJ-ROUUACIJSA-N	0	3	379.501	0.513	40	0		GCABHN
CN1CCCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1	ZINC000585285232	570254369	/nfs/dbraw/zinc/25/43/69/570254369.db2.gz	PNTWGSXYAUDOMM-HKUYNNGSSA-N	0	3	381.904	0.915	40	0		GCABHN
CC(C)N1CCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)CC1	ZINC000585285734	570255219	/nfs/dbraw/zinc/25/52/19/570255219.db2.gz	SJVBIRKVNODSOO-UNMCSNQZSA-N	0	3	389.540	0.970	40	0		GCABHN
CN(CCc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585290958	570259474	/nfs/dbraw/zinc/25/94/74/570259474.db2.gz	YLGMQVCCJFJZCE-UXHICEINSA-N	0	3	390.505	0.957	40	0		GCABHN
Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1	ZINC000022935056	570338031	/nfs/dbraw/zinc/33/80/31/570338031.db2.gz	VMBXKDVFHQCMLX-UHFFFAOYSA-N	0	3	382.530	0.515	40	0		GCABHN
CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257252438	570487955	/nfs/dbraw/zinc/48/79/55/570487955.db2.gz	JUTSZCNZBKGRSS-OAQYLSRUSA-N	0	3	393.528	0.259	40	0		GCABHN
CCc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019663540	571027092	/nfs/dbraw/zinc/02/70/92/571027092.db2.gz	AHOOHMCUCREOER-UHFFFAOYSA-N	0	3	387.484	0.988	40	0		GCABHN
COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1ccncc1)CC2	ZINC001772595365	1187053507	/nfs/dbraw/zinc/05/35/07/1187053507.db2.gz	PRUFLEHDEGUNEG-QGZVFWFLSA-N	0	3	387.484	0.119	40	0		GCABHN
COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1nccs1)CC2	ZINC001772595457	1187054059	/nfs/dbraw/zinc/05/40/59/1187054059.db2.gz	YSBPOUWOHYMYIL-CQSZACIVSA-N	0	3	393.513	0.180	40	0		GCABHN
NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1	ZINC000575421998	530169973	/nfs/dbraw/zinc/16/99/73/530169973.db2.gz	LLFJYGMFYDHCQR-LLVKDONJSA-N	0	3	397.316	0.586	40	0		GCABHN
Cn1cc(CN2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1	ZINC000306141058	212053245	/nfs/dbraw/zinc/05/32/45/212053245.db2.gz	VKMYLVWLVZRZIS-LJQANCHMSA-N	0	3	398.492	0.796	40	0		GCABHN
CN(C)CCn1nc2n(c(=O)c1=O)CCC21CCN(Cc2ccccn2)CC1	ZINC000306130154	212047865	/nfs/dbraw/zinc/04/78/65/212047865.db2.gz	IXRSPMVILPTMIS-UHFFFAOYSA-N	0	3	384.484	0.299	40	0		GCABHN
CN1CCC(N2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)CC1	ZINC000225386391	206046312	/nfs/dbraw/zinc/04/63/12/206046312.db2.gz	ZYKLFZKQPAVDRK-MOPGFXCFSA-N	0	3	398.507	0.139	40	0	biogenic,in-vitro	GCABHN
COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCC(C)CC2)cc1	ZINC000030879763	206081622	/nfs/dbraw/zinc/08/16/22/206081622.db2.gz	DDVXPLSYVBDMJH-YDZRNGNQSA-N	0	3	378.469	0.646	40	0	biogenic,in-vitro	GCABHN
Cn1cc(CN[C@@H]2CCC[C@@H](C(=O)N3CCN(C)CC3)CC(=O)N(C)C2)cn1	ZINC000096113401	206118092	/nfs/dbraw/zinc/11/80/92/206118092.db2.gz	JIYPGVQIZSHZSQ-QZTJIDSGSA-N	0	3	390.532	0.301	40	0	biogenic,in-vitro	GCABHN
CS(=O)(=O)NCC(=O)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1	ZINC000257279568	206171518	/nfs/dbraw/zinc/17/15/18/206171518.db2.gz	OHGBTPGPKIICPT-CQSZACIVSA-N	0	3	383.461	0.010	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2ccccn2)C1	ZINC000306140473	206205981	/nfs/dbraw/zinc/20/59/81/206205981.db2.gz	UUMUXYXLXXQCID-OAQYLSRUSA-N	0	3	390.447	0.791	40	0		GCABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(Cl)cc1	ZINC000020637056	210353460	/nfs/dbraw/zinc/35/34/60/210353460.db2.gz	NYJINFLWUYXNNF-LSDHHAIUSA-N	0	3	392.843	0.820	40	0		GCABHN
COc1ccc(CN(Cc2c(C)n(C)c(=O)n(C)c2=O)C[C@@H](C)O)cc1OC	ZINC000012185513	221163903	/nfs/dbraw/zinc/16/39/03/221163903.db2.gz	PVPOZPZUDJDRGW-CYBMUJFWSA-N	0	3	391.468	0.793	40	0		GCABHN
COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCN(C)CC3)CC[C@@H]2O)cc1	ZINC000030879401	560090026	/nfs/dbraw/zinc/09/00/26/560090026.db2.gz	CGJLFKYMLCVOHD-UFYCRDLUSA-N	0	3	391.512	0.857	40	0	biogenic,in-vitro	GCABHN
CN1CCC[C@@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1	ZINC000019750972	570215553	/nfs/dbraw/zinc/21/55/53/570215553.db2.gz	TWUONJCFKNTMMP-GOSISDBHSA-N	0	3	382.464	0.989	40	0		GCABHN
COc1cc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OCCN(C)C	ZINC000585274392	570243361	/nfs/dbraw/zinc/24/33/61/570243361.db2.gz	VXBWWTRVVITNGK-WOJBJXKFSA-N	0	3	395.500	0.069	40	0		GCABHN
CC(C)N1CCN(C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)CC1	ZINC000585283139	570251438	/nfs/dbraw/zinc/25/14/38/570251438.db2.gz	CHHRNIWWRNKVMU-RBBKRZOGSA-N	0	3	389.540	0.970	40	0		GCABHN
COCCN1C(=O)CO[C@H]2CN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]21	ZINC000585290082	570257824	/nfs/dbraw/zinc/25/78/24/570257824.db2.gz	ZRRXPXYJAMCKSI-ZFORQUDYSA-N	0	3	390.480	0.905	40	0		GCABHN
CN(Cc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585290735	570259420	/nfs/dbraw/zinc/25/94/20/570259420.db2.gz	WBNULEIBRXAYMZ-MOPGFXCFSA-N	0	3	376.478	0.915	40	0		GCABHN
Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c(C)c1	ZINC000022829556	570330234	/nfs/dbraw/zinc/33/02/34/570330234.db2.gz	BZYRARLBHUWDHS-UHFFFAOYSA-N	0	3	396.557	0.823	40	0		GCABHN
Cc1ccc(C)c(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1	ZINC000022934752	570338314	/nfs/dbraw/zinc/33/83/14/570338314.db2.gz	YMIUGZAQCQGLAT-UHFFFAOYSA-N	0	3	396.557	0.823	40	0		GCABHN
COc1ccc(CNCCn2c(C)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1	ZINC000023989758	570376274	/nfs/dbraw/zinc/37/62/74/570376274.db2.gz	KTZSVEUWFWDYLV-UHFFFAOYSA-N	0	3	396.451	0.793	40	0		GCABHN
CN1CCN(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1	ZINC000022829579	570377670	/nfs/dbraw/zinc/37/76/70/570377670.db2.gz	YOFUIWZPWFWOEA-UHFFFAOYSA-N	0	3	386.493	0.345	40	0		GCABHN
OCCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ncccn3)C2)cc1	ZINC000257328938	570486910	/nfs/dbraw/zinc/48/69/10/570486910.db2.gz	XHSAVVVOTAGACG-FQEVSTJZSA-N	0	3	388.468	0.595	40	0		GCABHN
Cn1ccnc1COc1ccc(CN2C[C@@H](N3CCN(C)CC3)[C@@H](O)C2)cc1	ZINC000257234912	570487727	/nfs/dbraw/zinc/48/77/27/570487727.db2.gz	GVOVOUDRVQXMAU-UXHICEINSA-N	0	3	385.512	0.792	40	0		GCABHN
CN1CCN(C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)CC1	ZINC000257252437	570487797	/nfs/dbraw/zinc/48/77/97/570487797.db2.gz	JUTSZCNZBKGRSS-NRFANRHFSA-N	0	3	393.528	0.259	40	0		GCABHN
COC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1	ZINC000010157547	570566429	/nfs/dbraw/zinc/56/64/29/570566429.db2.gz	QAHLLXMHQUEZSI-HZPDHXFCSA-N	0	3	394.435	0.615	40	0		GCABHN
COCCOc1ccc(C(=O)N2CC[C@@]3(NC(C)=O)CN(C)C[C@H]3C2)cc1	ZINC000019712999	570899019	/nfs/dbraw/zinc/89/90/19/570899019.db2.gz	NFQHMATUSOHEJI-FXAWDEMLSA-N	0	3	375.469	0.994	40	0		GCABHN
COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)c2cccc(F)c2)O[C@@H](CO)[C@H]1O	ZINC000020465279	575367521	/nfs/dbraw/zinc/36/75/21/575367521.db2.gz	SZEXWBRCHLQTNA-DFBDCSAJSA-N	0	3	382.432	0.156	40	0	biogenic,in-vitro	GCABHN
CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1	ZINC000008299085	291099614	/nfs/dbraw/zinc/09/96/14/291099614.db2.gz	SPBKBDMODIUIFB-OAGGEKHMSA-N	0	3	376.505	0.538	40	0	biogenic,in-vitro	GCABHN
CN(C)CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)ncn1	ZINC000329056745	212095319	/nfs/dbraw/zinc/09/53/19/212095319.db2.gz	VUMMUVXYEMKPNR-UHFFFAOYSA-N	0	3	376.486	0.660	40	0		GCABHN
Cc1nc(N(C)C)ncc1C(=O)N(CCN1CCOCC1)C1CCN(C)CC1	ZINC000019552685	207132227	/nfs/dbraw/zinc/13/22/27/207132227.db2.gz	MTMHZWPEEOMTTA-UHFFFAOYSA-N	0	3	390.532	0.720	40	0		GCABHN
Cc1nc(N2CCOCC2)sc1CN1CCC2(CC1)NC(=O)N(C)C2=O	ZINC000019715767	207154767	/nfs/dbraw/zinc/15/47/67/207154767.db2.gz	OLEZAAZFSBINIE-UHFFFAOYSA-N	0	3	379.486	0.804	40	0		GCABHN
Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@@H]3CCCCN3C)c2=O)no1	ZINC000019750199	207159932	/nfs/dbraw/zinc/15/99/32/207159932.db2.gz	CIIPFXOOEQLLMP-AWEZNQCLSA-N	0	3	387.440	0.998	40	0		GCABHN
CCN1C(=O)C[C@@H](NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1=O	ZINC000020608734	207206936	/nfs/dbraw/zinc/20/69/36/207206936.db2.gz	QSPGJZDJCAIZFG-MRXNPFEDSA-N	0	3	395.481	0.585	40	0		GCABHN
Cn1cc(CN2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cn1	ZINC000306126852	209097467	/nfs/dbraw/zinc/09/74/67/209097467.db2.gz	FHFAZBLJQBRBDT-HXUWFJFHSA-N	0	3	393.451	0.129	40	0		GCABHN
O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1	ZINC000008627172	221047841	/nfs/dbraw/zinc/04/78/41/221047841.db2.gz	ZNCXLQIFFRCRHD-KVPLUYHFSA-N	0	3	389.427	0.506	40	0	biogenic,in-vitro	GCABHN
Cn1cccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O	ZINC000096533304	136187295	/nfs/dbraw/zinc/18/72/95/136187295.db2.gz	FLKFSFPEXGEZRL-CSEOROSGSA-N	0	3	398.507	0.790	40	0	biogenic,in-vitro	GCABHN
Cn1c2nc(N3CCNCC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000062720592	222065132	/nfs/dbraw/zinc/06/51/32/222065132.db2.gz	KOBCHFXBCTVJAI-UHFFFAOYSA-N	0	3	382.468	0.476	40	0		GCABHN
Cn1c2nc(N3CCNCC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O	ZINC000062720588	222066244	/nfs/dbraw/zinc/06/62/44/222066244.db2.gz	HINZOWFJNUOZBT-UHFFFAOYSA-N	0	3	388.859	0.545	40	0		GCABHN
CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N(C)CCN(C)C	ZINC000096113012	222382449	/nfs/dbraw/zinc/38/24/49/222382449.db2.gz	GFCHOLPAQTUBCN-ZWKOTPCHSA-N	0	3	376.501	0.967	40	0	biogenic,in-vitro	GCABHN
COC[C@H]1CCCN1C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O	ZINC000514289146	560033143	/nfs/dbraw/zinc/03/31/43/560033143.db2.gz	VVORJFGQMDGTAQ-XGXHKWSGSA-N	0	3	398.525	0.419	40	0	biogenic,in-vitro	GCABHN
COCc1cn(C[C@H]2C[C@@H](NCc3cccc4c3OCO4)[C@H](O)[C@@H]2O)nn1	ZINC000225501675	560042361	/nfs/dbraw/zinc/04/23/61/560042361.db2.gz	PVWLPWQJQFGQHE-WNOSKKOXSA-N	0	3	376.413	0.053	40	0	biogenic,in-vitro	GCABHN
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C(C)C)N1C	ZINC000035442559	560079932	/nfs/dbraw/zinc/07/99/32/560079932.db2.gz	GVYYODLFIASTOO-FAJBIJEISA-N	0	3	380.533	0.686	40	0	biogenic,in-vitro	GCABHN
Cc1nc(NCCCO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000329070644	570216760	/nfs/dbraw/zinc/21/67/60/570216760.db2.gz	ZITLZJALEQVXMZ-UHFFFAOYSA-N	0	3	377.470	0.789	40	0		GCABHN
CC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@@H](CO)C1	ZINC000585282567	570250455	/nfs/dbraw/zinc/25/04/55/570250455.db2.gz	HBDXIZWHOLIZII-QGZVFWFLSA-N	0	3	379.476	0.930	40	0		GCABHN
CN1CCCN(C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)CC1	ZINC000585283845	570251709	/nfs/dbraw/zinc/25/17/09/570251709.db2.gz	IDHIKUIDGWRQAK-FPOVZHCZSA-N	0	3	375.513	0.581	40	0		GCABHN
O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCCc2ccccn2)C1	ZINC000585285817	570255171	/nfs/dbraw/zinc/25/51/71/570255171.db2.gz	UGVJJALTFUGXNI-RBUKOAKNSA-N	0	3	391.493	0.400	40	0		GCABHN
CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C[C@H](C(N)=O)C1	ZINC000585289175	570257153	/nfs/dbraw/zinc/25/71/53/570257153.db2.gz	NIMWCNFTNOLPAC-QXCFHYIPSA-N	0	3	375.469	0.613	40	0		GCABHN
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(F)cc2)C1	ZINC000585290449	570258546	/nfs/dbraw/zinc/25/85/46/570258546.db2.gz	BIXMQSJLZSNTLS-MSOLQXFVSA-N	0	3	380.441	0.712	40	0		GCABHN
COc1ccccc1CNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585290687	570259451	/nfs/dbraw/zinc/25/94/51/570259451.db2.gz	TVCNTYSSYKHIQN-MOPGFXCFSA-N	0	3	392.477	0.581	40	0		GCABHN
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCc2ccccn2)C1	ZINC000585291125	570259863	/nfs/dbraw/zinc/25/98/63/570259863.db2.gz	LDPRHNNGEJNDSL-MSOLQXFVSA-N	0	3	377.466	0.010	40	0		GCABHN
CN1CCN(C[C@@]2(O)CCCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1	ZINC000257233311	570766165	/nfs/dbraw/zinc/76/61/65/570766165.db2.gz	GOROSRMYIWTQTA-OAQYLSRUSA-N	0	3	388.512	0.407	40	0		GCABHN
O=S(=O)(c1ccccn1)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1	ZINC000585103625	570929030	/nfs/dbraw/zinc/92/90/30/570929030.db2.gz	HTEWCSSRZWCSSP-CVEARBPZSA-N	0	3	381.498	0.708	40	0		GCABHN
CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2ccncc2)CC1	ZINC001772595288	1187053792	/nfs/dbraw/zinc/05/37/92/1187053792.db2.gz	KAWIUHBKMFEJIN-GOSISDBHSA-N	0	3	383.496	0.882	40	0		GCABHN
CCCCS(=O)(=O)N(CC(=O)OCCN(CC)CC)S(=O)(=O)CC	ZINC000005420774	530120531	/nfs/dbraw/zinc/12/05/31/530120531.db2.gz	BEPLBFGJKZEAJV-UHFFFAOYSA-N	0	3	386.536	0.653	40	0		GCABHN
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1	ZINC000035315892	530121589	/nfs/dbraw/zinc/12/15/89/530121589.db2.gz	OTWDMYOGZTUUJX-UHFFFAOYSA-N	0	3	387.527	0.973	40	0		GCABHN
CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCCNC(C)=O)nn1	ZINC000008299097	291100824	/nfs/dbraw/zinc/10/08/24/291100824.db2.gz	DTXWRQAEWJXMGT-JQHSSLGASA-N	0	3	376.505	0.583	40	0	biogenic,in-vitro	GCABHN
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]1O	ZINC000012483750	291101294	/nfs/dbraw/zinc/10/12/94/291101294.db2.gz	HSTSMMPJELLAMS-DGXTUMSLSA-N	0	3	392.374	0.764	40	0	biogenic,in-vitro	GCABHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1	ZINC000001725702	212254409	/nfs/dbraw/zinc/25/44/09/212254409.db2.gz	UHHOKYHLNSWFNG-UHFFFAOYSA-N	0	3	394.863	0.763	40	0		GCABHN
CN(C)CCn1nc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)c2cccnc21	ZINC000019583191	207140313	/nfs/dbraw/zinc/14/03/13/207140313.db2.gz	WHKKQZSKCYTVDU-OAHLLOKOSA-N	0	3	384.484	0.931	40	0		GCABHN
CN1CCN(CC(C)(C)CN2CCN(c3ncc4c(n3)CCOC4)CC2)CC1	ZINC000023093268	207269060	/nfs/dbraw/zinc/26/90/60/207269060.db2.gz	OSCJPJONPNGLFN-UHFFFAOYSA-N	0	3	388.560	0.945	40	0		GCABHN
CN(C)CCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)CC3CC3)CC2)O1	ZINC000096243741	208293121	/nfs/dbraw/zinc/29/31/21/208293121.db2.gz	RFWWUBPFWULYPI-INIZCTEOSA-N	0	3	389.500	0.578	40	0		GCABHN
COCCN1CCC2(CC3(CCN(S(=O)(=O)C4CC4)CC3)N(C)C2=O)CC1	ZINC000096262353	208299047	/nfs/dbraw/zinc/29/90/47/208299047.db2.gz	XZOCRDCKAZCJAX-UHFFFAOYSA-N	0	3	399.557	0.904	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2ccoc2)C1	ZINC000306125233	209097744	/nfs/dbraw/zinc/09/77/44/209097744.db2.gz	CJZWEKYYEMKNCI-FQEVSTJZSA-N	0	3	379.420	0.989	40	0		GCABHN
CC(=O)Nc1ccc(C(=O)N2CCC[C@](O)(CN3CCN(C)CC3)CC2)cn1	ZINC000257220401	209058062	/nfs/dbraw/zinc/05/80/62/209058062.db2.gz	DKRCOEDOSQHXTH-HXUWFJFHSA-N	0	3	389.500	0.645	40	0		GCABHN
CNCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1	ZINC000257259235	209062283	/nfs/dbraw/zinc/06/22/83/209062283.db2.gz	KXLDCWDCJYKOTR-SFHLNBCPSA-N	0	3	375.513	0.896	40	0		GCABHN
COC(=O)[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1C(=O)OCc1ccccc1	ZINC000079420001	222304951	/nfs/dbraw/zinc/30/49/51/222304951.db2.gz	CJZXRKLCROXJCM-HOTGVXAUSA-N	0	3	377.441	0.992	40	0		GCABHN
COC(=O)[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1C(=O)OCc1ccccc1	ZINC000079420004	222305704	/nfs/dbraw/zinc/30/57/04/222305704.db2.gz	CJZXRKLCROXJCM-CVEARBPZSA-N	0	3	377.441	0.992	40	0		GCABHN
CCOC(=O)[C@@]12CN(CCN(C)C)C[C@@H]1CN(S(=O)(=O)CC)CCC2	ZINC000096055951	222375293	/nfs/dbraw/zinc/37/52/93/222375293.db2.gz	LXEUMGQPRJLMPN-WBVHZDCISA-N	0	3	375.535	0.475	40	0		GCABHN
Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@H]3CCCCN3C)c2=O)no1	ZINC000019750197	570215544	/nfs/dbraw/zinc/21/55/44/570215544.db2.gz	CIIPFXOOEQLLMP-CQSZACIVSA-N	0	3	387.440	0.998	40	0		GCABHN
CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn32)C1	ZINC000096267623	570227786	/nfs/dbraw/zinc/22/77/86/570227786.db2.gz	HVDOTEVMRHPPAR-ZBFHGGJFSA-N	0	3	399.499	0.976	40	0		GCABHN
CN1CCN(C[C@@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1	ZINC000585272296	570242291	/nfs/dbraw/zinc/24/22/91/570242291.db2.gz	KDJFJQQLIXAVIX-QFIPXVFZSA-N	0	3	388.556	0.703	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1	ZINC000585283573	570251891	/nfs/dbraw/zinc/25/18/91/570251891.db2.gz	RZDNVCPLTWQRDC-ICSRJNTNSA-N	0	3	396.459	0.376	40	0		GCABHN
CC(=O)N1CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@H](CO)C1	ZINC000585284412	570253274	/nfs/dbraw/zinc/25/32/74/570253274.db2.gz	RQGXVJXBMKBAHO-KRWDZBQOSA-N	0	3	379.476	0.930	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3C)C2)CC1	ZINC000585286686	570255559	/nfs/dbraw/zinc/25/55/59/570255559.db2.gz	HQLKPAOARFQCFZ-NRFANRHFSA-N	0	3	392.496	0.811	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1	ZINC000585287324	570255753	/nfs/dbraw/zinc/25/57/53/570255753.db2.gz	MNLFRONUNCJYLS-HXUWFJFHSA-N	0	3	396.459	0.641	40	0		GCABHN
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCOc2ccccc2)C1	ZINC000585290544	570257629	/nfs/dbraw/zinc/25/76/29/570257629.db2.gz	CIDDJUJGFQFEKC-MOPGFXCFSA-N	0	3	392.477	0.452	40	0		GCABHN
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CCN(C)CC1	ZINC000220010104	570380297	/nfs/dbraw/zinc/38/02/97/570380297.db2.gz	QNPDNGYWERTQKJ-UHFFFAOYSA-N	0	3	394.541	0.755	40	0		GCABHN
CN(C)C(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)N1C	ZINC000257226341	570764036	/nfs/dbraw/zinc/76/40/36/570764036.db2.gz	FKHBWZRXIIVHTN-KGLIPLIRSA-N	0	3	394.497	0.401	40	0		GCABHN
O=S(=O)(c1ccccn1)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1	ZINC000585103636	570929078	/nfs/dbraw/zinc/92/90/78/570929078.db2.gz	HTEWCSSRZWCSSP-HOTGVXAUSA-N	0	3	381.498	0.708	40	0		GCABHN
C[C@@H]1CCN(C[C@H]2CC3(CO2)CCN(C(=O)c2ncnn2C)CC3)C[C@H]1O	ZINC000585105095	570934006	/nfs/dbraw/zinc/93/40/06/570934006.db2.gz	XVJGXDOWKUQZPF-BZUAXINKSA-N	0	3	377.489	0.529	40	0		GCABHN
COCC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1CN(C)CCN12	ZINC001772595385	1187053767	/nfs/dbraw/zinc/05/37/67/1187053767.db2.gz	RIRGWSDAIDKIBB-GOSISDBHSA-N	0	3	386.496	0.610	40	0		GCABHN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C)[C@@H](O)[C@H]2O1	ZINC000225515038	222681039	/nfs/dbraw/zinc/68/10/39/222681039.db2.gz	DRWXKPWLIHMQNK-PNDFQMOFSA-N	0	3	378.469	0.523	40	0	biogenic,in-vitro	GCABHN
CN(C)CCNc1nc(NCCN2CCN(C)CC2)cc(-c2ccccc2)n1	ZINC000328955926	212090943	/nfs/dbraw/zinc/09/09/43/212090943.db2.gz	AEDCTDDSUFJLOU-UHFFFAOYSA-N	0	3	383.544	0.620	40	0		GCABHN
CN(C)CCNc1nc(NCCN2CCN(C)CC2)cc(-c2ccccn2)n1	ZINC000328969886	212090544	/nfs/dbraw/zinc/09/05/44/212090544.db2.gz	DFLUBOZINLTMPO-UHFFFAOYSA-N	0	3	384.532	0.015	40	0		GCABHN
Cc1c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CN3CCCC3)CC2)cnn1C	ZINC000019661063	207147501	/nfs/dbraw/zinc/14/75/01/207147501.db2.gz	VVLDLOONZILRSQ-CQSZACIVSA-N	0	3	397.545	0.730	40	0		GCABHN
CCOC(=O)[C@@]12CN(CCN(C)C)C[C@@H]1CN(S(=O)(=O)C1CC1)CCC2	ZINC000096055952	208259731	/nfs/dbraw/zinc/25/97/31/208259731.db2.gz	WLFWVBCIHGLHIF-QAPCUYQASA-N	0	3	387.546	0.617	40	0		GCABHN
CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cn32)C1	ZINC000096267625	208299440	/nfs/dbraw/zinc/29/94/40/208299440.db2.gz	HVDOTEVMRHPPAR-HOCLYGCPSA-N	0	3	399.499	0.976	40	0		GCABHN
O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1	ZINC000008253947	221033177	/nfs/dbraw/zinc/03/31/77/221033177.db2.gz	IBQJQVFJCZATNU-ZACQAIPSSA-N	0	3	382.468	0.909	40	0	biogenic,in-vitro	GCABHN
O=C(CN1C(=O)CNC1=O)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1	ZINC000257310401	209072390	/nfs/dbraw/zinc/07/23/90/209072390.db2.gz	UEXUQSKFKHFEPR-INIZCTEOSA-N	0	3	388.415	0.013	40	0		GCABHN
CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)CC1	ZINC000077264390	560046488	/nfs/dbraw/zinc/04/64/88/560046488.db2.gz	FWRVTHOQEANRFR-KURKYZTESA-N	0	3	379.432	0.284	40	0	biogenic,in-vitro	GCABHN
COCCNC(=O)[C@H]1O[C@H](CCN2CCN(c3ccccc3)CC2)CC[C@@H]1O	ZINC000030878945	560090099	/nfs/dbraw/zinc/09/00/99/560090099.db2.gz	XMPSHKUYSZHTKL-UFYCRDLUSA-N	0	3	391.512	0.870	40	0	biogenic,in-vitro	GCABHN
COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CCN(C)C)[C@H]2O)c1	ZINC000020463978	560092756	/nfs/dbraw/zinc/09/27/56/560092756.db2.gz	AWCVAQLSOLRVQX-HSFUPAIVSA-N	0	3	394.472	0.163	40	0	biogenic,in-vitro	GCABHN
CN1CCC[C@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1	ZINC000019750974	570215443	/nfs/dbraw/zinc/21/54/43/570215443.db2.gz	TWUONJCFKNTMMP-SFHVURJKSA-N	0	3	382.464	0.989	40	0		GCABHN
CC(=O)N1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@H](CO)C1	ZINC000585282566	570250365	/nfs/dbraw/zinc/25/03/65/570250365.db2.gz	HBDXIZWHOLIZII-KRWDZBQOSA-N	0	3	379.476	0.930	40	0		GCABHN
O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(CO)CC2)C1	ZINC000585290552	570258699	/nfs/dbraw/zinc/25/86/99/570258699.db2.gz	CKMRCCBGWNUGFR-MJGOQNOKSA-N	0	3	382.888	0.521	40	0		GCABHN
CN(CCc1ccccn1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585290908	570259361	/nfs/dbraw/zinc/25/93/61/570259361.db2.gz	XTSNNBDXHDWCEM-MOPGFXCFSA-N	0	3	391.493	0.352	40	0		GCABHN
CNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNC)cc2)cc1	ZINC000001580995	570265335	/nfs/dbraw/zinc/26/53/35/570265335.db2.gz	CPLKAMPBYFFBSY-UHFFFAOYSA-N	0	3	390.465	0.835	40	0		GCABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(OC)cc1	ZINC000020636928	570273802	/nfs/dbraw/zinc/27/38/02/570273802.db2.gz	VIFHQHJEURAUFJ-CVEARBPZSA-N	0	3	388.424	0.175	40	0		GCABHN
CCOC(=O)C1=C([O-])NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(F)cc1	ZINC000020674682	570274682	/nfs/dbraw/zinc/27/46/82/570274682.db2.gz	ZJEIFNBWZMJZNZ-HUUCEWRRSA-N	0	3	376.388	0.306	40	0		GCABHN
COc1ccccc1CNC(=O)C(=O)NCC1CCN([C@@H]2CCOC2)CC1	ZINC000575616567	570357279	/nfs/dbraw/zinc/35/72/79/570357279.db2.gz	QIMOMJZRAZMDEA-QGZVFWFLSA-N	0	3	375.469	0.929	40	0		GCABHN
CC1(C)O[C@H]2O[C@H]3[C@@H](O[C@@H](c4ccccc4)O[C@H]3CN(CCO)CCO)[C@@H]2O1	ZINC000004777764	570405263	/nfs/dbraw/zinc/40/52/63/570405263.db2.gz	JPIUOZKQJVBYHJ-ZOVJDJALSA-N	0	3	395.452	0.632	40	0		GCABHN
OCCOCCOc1ccc(CNC[C@]2(O)CCN(c3cnccn3)C2)cc1	ZINC000257266620	570488692	/nfs/dbraw/zinc/48/86/92/570488692.db2.gz	MDSXBEURHUDGDY-HXUWFJFHSA-N	0	3	388.468	0.595	40	0		GCABHN
COCCN1C(=O)C[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000257344620	570785087	/nfs/dbraw/zinc/78/50/87/570785087.db2.gz	ZYABEFUXUYEDNE-BEFAXECRSA-N	0	3	393.484	0.918	40	0		GCABHN
CCn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CS(=O)(=O)C3)C2)cn1	ZINC000585109393	570941543	/nfs/dbraw/zinc/94/15/43/570941543.db2.gz	MTTDHPIOSQFUAG-OIISXLGYSA-N	0	3	396.513	0.043	40	0		GCABHN
CN1CCC[C@H](c2nnc3n2CCN(C(=O)CN2CCCCCC2=O)CC3)C1	ZINC000019709282	571033476	/nfs/dbraw/zinc/03/34/76/571033476.db2.gz	CTFDNYBAIPHTJW-INIZCTEOSA-N	0	3	388.516	0.875	40	0		GCABHN
COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)Nc2ccsc2)O[C@@H](CO)[C@H]1O	ZINC000020465311	575368051	/nfs/dbraw/zinc/36/80/51/575368051.db2.gz	TVKKLRJVZXTOAA-RBGFHDKUSA-N	0	3	385.486	0.470	40	0	biogenic,in-vitro	GCABHN
CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cccnc2)CC1	ZINC001772595373	1187053415	/nfs/dbraw/zinc/05/34/15/1187053415.db2.gz	QHRLMQUTMHHDKL-GOSISDBHSA-N	0	3	383.496	0.882	40	0		GCABHN
COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1	ZINC000008298013	1197438929	/nfs/dbraw/zinc/43/89/29/1197438929.db2.gz	QXHDDMPYFPQNBI-BBWFWOEESA-N	0	3	391.516	0.903	40	0	biogenic,in-vitro	GCABHN
CN(C)CCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	ZINC000013671044	530135951	/nfs/dbraw/zinc/13/59/51/530135951.db2.gz	YKRUVXWUMYOFFX-UHFFFAOYSA-N	0	3	378.292	0.893	40	0		GCABHN
CN1CCC[C@H](NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1	ZINC000019751382	207159540	/nfs/dbraw/zinc/15/95/40/207159540.db2.gz	NOIZAWLULWJNTK-SFHVURJKSA-N	0	3	382.464	0.989	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2ccoc2)C1	ZINC000306125234	209096879	/nfs/dbraw/zinc/09/68/79/209096879.db2.gz	CJZWEKYYEMKNCI-HXUWFJFHSA-N	0	3	379.420	0.989	40	0		GCABHN
COC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1	ZINC000010157548	221097974	/nfs/dbraw/zinc/09/79/74/221097974.db2.gz	QAHLLXMHQUEZSI-JKSUJKDBSA-N	0	3	394.435	0.615	40	0		GCABHN
Cc1ccc(C)c(Cn2c(N3CCNCC3)nc3c2c(=O)n(C)c(=O)n3C)c1	ZINC000062720584	222065503	/nfs/dbraw/zinc/06/55/03/222065503.db2.gz	AYQGKRDHARLFHE-UHFFFAOYSA-N	0	3	382.468	0.508	40	0		GCABHN
C/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000095831479	222361410	/nfs/dbraw/zinc/36/14/10/222361410.db2.gz	HRSGCYGUWHGOPY-OCOMMVLDSA-N	0	3	397.468	0.305	40	0		GCABHN
O[C@@]1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000585274424	570243214	/nfs/dbraw/zinc/24/32/14/570243214.db2.gz	WJERZPSIHZHVEX-OAQYLSRUSA-N	0	3	375.513	0.788	40	0		GCABHN
CN1CCCN(C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1	ZINC000585284548	570253768	/nfs/dbraw/zinc/25/37/68/570253768.db2.gz	LTJYCDUVAKNNRG-ICSRJNTNSA-N	0	3	395.931	0.844	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1	ZINC000585284869	570253955	/nfs/dbraw/zinc/25/39/55/570253955.db2.gz	ABSMEJQOUIEKLB-FQEVSTJZSA-N	0	3	396.459	0.641	40	0		GCABHN
CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1	ZINC000585287322	570255585	/nfs/dbraw/zinc/25/55/85/570255585.db2.gz	MNLFRONUNCJYLS-FQEVSTJZSA-N	0	3	396.459	0.641	40	0		GCABHN
CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3cccc(OC)c3)CC2)CCO1	ZINC000585286702	570255927	/nfs/dbraw/zinc/25/59/27/570255927.db2.gz	QJQSOIMCDUWXRD-IBGZPJMESA-N	0	3	377.485	0.863	40	0		GCABHN
CNC(=O)[C@@]1(C)CN(CC2(O)CCN(c3cccc(OC)c3)CC2)CCO1	ZINC000585286703	570256019	/nfs/dbraw/zinc/25/60/19/570256019.db2.gz	QJQSOIMCDUWXRD-LJQANCHMSA-N	0	3	377.485	0.863	40	0		GCABHN
Cc1cc(C)cc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1	ZINC000022934979	570338214	/nfs/dbraw/zinc/33/82/14/570338214.db2.gz	BBXYFZHRJRANNS-UHFFFAOYSA-N	0	3	396.557	0.823	40	0		GCABHN
CN1CCC(N2CC3(C2)CN(C(=O)c2ccccc2)C[C@@H]2COCCN23)CC1	ZINC000604381975	570353030	/nfs/dbraw/zinc/35/30/30/570353030.db2.gz	XILQAKUXIFNOLD-HXUWFJFHSA-N	0	3	384.524	0.992	40	0	biogenic,in-vitro	GCABHN
OCCOCCOc1ccc(CNC[C@@]2(O)CCN(c3cnccn3)C2)cc1	ZINC000257266619	570488241	/nfs/dbraw/zinc/48/82/41/570488241.db2.gz	MDSXBEURHUDGDY-FQEVSTJZSA-N	0	3	388.468	0.595	40	0		GCABHN
CN1CCN(C[C@]2(O)CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)CC1	ZINC000257255298	570770974	/nfs/dbraw/zinc/77/09/74/570770974.db2.gz	KGZFCYGSOKWDFM-NRFANRHFSA-N	0	3	388.512	0.881	40	0		GCABHN
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](O)[C@@H](Cc2cn3cccc3cn2)C1	ZINC000257343969	570785109	/nfs/dbraw/zinc/78/51/09/570785109.db2.gz	ZVDPWGUUBHZYTE-RYGJVYDSSA-N	0	3	380.448	0.972	40	0		GCABHN
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](CC4CC4)C3)[n-]c(=O)c2C1	ZINC000019583770	571014550	/nfs/dbraw/zinc/01/45/50/571014550.db2.gz	XJBDVLDVKBTCDY-CQSZACIVSA-N	0	3	395.529	0.936	40	0		GCABHN
CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CC4CC4)C3)[n-]c(=O)c2C1	ZINC000019583770	571014554	/nfs/dbraw/zinc/01/45/54/571014554.db2.gz	XJBDVLDVKBTCDY-CQSZACIVSA-N	0	3	395.529	0.936	40	0		GCABHN
Cc1cc(C(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)no1	ZINC001772595235	1187052007	/nfs/dbraw/zinc/05/20/07/1187052007.db2.gz	FKFFQWCUCKIVSP-QGZVFWFLSA-N	0	3	387.484	0.784	40	0		GCABHN
NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1	ZINC000575422004	530688270	/nfs/dbraw/zinc/68/82/70/530688270.db2.gz	LLFJYGMFYDHCQR-NSHDSACASA-N	0	3	397.316	0.586	40	0		GCABHN
COc1ccc(OC)c(S(=O)(=O)N(CCN)[C@@]2(C)CCS(=O)(=O)C2)c1	ZINC000575425139	530689284	/nfs/dbraw/zinc/68/92/84/530689284.db2.gz	YCZNWRCRPDJXQB-HNNXBMFYSA-N	0	3	392.499	0.230	40	0		GCABHN
Cc1nc(NCCN(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000329065106	206244775	/nfs/dbraw/zinc/24/47/75/206244775.db2.gz	XPQUMPXMJXVSTA-UHFFFAOYSA-N	0	3	390.513	0.969	40	0		GCABHN
CN(C)CCNc1nc(NCCN2CCN(C)CC2)cc(-c2cccnc2)n1	ZINC000329030347	206240993	/nfs/dbraw/zinc/24/09/93/206240993.db2.gz	QDDRTWOWTGLQBD-UHFFFAOYSA-N	0	3	384.532	0.015	40	0		GCABHN
CN(C)CCNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2	ZINC000072389660	208012900	/nfs/dbraw/zinc/01/29/00/208012900.db2.gz	FUIXKLKMWDCHBX-HXUWFJFHSA-N	0	3	388.468	0.238	40	0		GCABHN
COc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)cc1	ZINC000096248722	208294978	/nfs/dbraw/zinc/29/49/78/208294978.db2.gz	WSBHAIXJALOTJF-MOPGFXCFSA-N	0	3	395.525	0.865	40	0		GCABHN
CC(=O)N1CCC[C@H]1C(=O)N1CC(C(=O)NCc2ccccc2CN(C)C)C1	ZINC000072344619	222233375	/nfs/dbraw/zinc/23/33/75/222233375.db2.gz	ZLHYUXLGXOGRSR-IBGZPJMESA-N	0	3	386.496	0.834	40	0		GCABHN
CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NCc3cccnc3)[C@H](O)[C@@H]2O)cc1	ZINC000225502732	560042373	/nfs/dbraw/zinc/04/23/73/560042373.db2.gz	XUXVKTNRMIIQMY-AXUOBQJMSA-N	0	3	392.477	0.764	40	0	biogenic,in-vitro	GCABHN
O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(O)CC2)[C@@H](O)C1	ZINC000585285568	570255068	/nfs/dbraw/zinc/25/50/68/570255068.db2.gz	QSWQYFBVVUUTFK-HKUYNNGSSA-N	0	3	382.888	0.664	40	0		GCABHN
COc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1	ZINC000585291048	570259415	/nfs/dbraw/zinc/25/94/15/570259415.db2.gz	INEOYJJRXMXELP-MOPGFXCFSA-N	0	3	392.477	0.581	40	0		GCABHN
O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(CCO)CC2)C1	ZINC000585291431	570260289	/nfs/dbraw/zinc/26/02/89/570260289.db2.gz	OSWUPIGFIOMQII-CTNGQTDRSA-N	0	3	376.497	0.648	40	0		GCABHN
CCOC(=O)C1=C([O-])NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(F)cc1	ZINC000020674685	570274748	/nfs/dbraw/zinc/27/47/48/570274748.db2.gz	ZJEIFNBWZMJZNZ-LSDHHAIUSA-N	0	3	376.388	0.306	40	0		GCABHN
CCOC(=O)C1=C([O-])NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(F)cc1	ZINC000020674688	570274831	/nfs/dbraw/zinc/27/48/31/570274831.db2.gz	ZJEIFNBWZMJZNZ-CABCVRRESA-N	0	3	376.388	0.306	40	0		GCABHN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(C)CC1	ZINC000113941935	570334983	/nfs/dbraw/zinc/33/49/83/570334983.db2.gz	MOSFFZAYEMWHOE-UHFFFAOYSA-N	0	3	381.498	0.840	40	0		GCABHN
Cc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O	ZINC000022934809	570338144	/nfs/dbraw/zinc/33/81/44/570338144.db2.gz	LSOQSJXMTOIMGX-UHFFFAOYSA-N	0	3	382.530	0.515	40	0		GCABHN
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCCN2CCOCC2)cc1	ZINC000022583929	570348303	/nfs/dbraw/zinc/34/83/03/570348303.db2.gz	IJCAHFAZIVYCAS-OAHLLOKOSA-N	0	3	398.529	0.624	40	0		GCABHN
CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNCCN2CCOCC2)cc1	ZINC000022583934	570348350	/nfs/dbraw/zinc/34/83/50/570348350.db2.gz	IJCAHFAZIVYCAS-HNNXBMFYSA-N	0	3	398.529	0.624	40	0		GCABHN
COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000023421660	570362119	/nfs/dbraw/zinc/36/21/19/570362119.db2.gz	OCAATHWUALYTEF-UHFFFAOYSA-N	0	3	397.497	0.540	40	0		GCABHN
OCCOCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1	ZINC000257328939	570487269	/nfs/dbraw/zinc/48/72/69/570487269.db2.gz	XHSAVVVOTAGACG-HXUWFJFHSA-N	0	3	388.468	0.595	40	0		GCABHN
COC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1	ZINC000010157546	570566350	/nfs/dbraw/zinc/56/63/50/570566350.db2.gz	QAHLLXMHQUEZSI-HOTGVXAUSA-N	0	3	394.435	0.615	40	0		GCABHN
N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1	ZINC000257265505	570772690	/nfs/dbraw/zinc/77/26/90/570772690.db2.gz	LYXJQQQMJLEYDH-JCGIZDLHSA-N	0	3	381.436	0.367	40	0		GCABHN
Cn1cc(CN2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cn1	ZINC000306126851	570937430	/nfs/dbraw/zinc/93/74/30/570937430.db2.gz	FHFAZBLJQBRBDT-FQEVSTJZSA-N	0	3	393.451	0.129	40	0		GCABHN
CC(=O)NCC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(C)=O)c2)CC1	ZINC000019698045	571030622	/nfs/dbraw/zinc/03/06/22/571030622.db2.gz	AJAWKPDFTLBPGH-LJQANCHMSA-N	0	3	387.484	0.858	40	0		GCABHN
COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1cc(C)on1)CC2	ZINC001772595399	1187053261	/nfs/dbraw/zinc/05/32/61/1187053261.db2.gz	STMKVKVWBQMEAU-MRXNPFEDSA-N	0	3	391.472	0.020	40	0		GCABHN
CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cncnc2)CC1	ZINC001772595354	1187053655	/nfs/dbraw/zinc/05/36/55/1187053655.db2.gz	OXXMYQXVDGIUED-QGZVFWFLSA-N	0	3	384.484	0.277	40	0		GCABHN
COc1ccc(C)cc1S(=O)(=O)N(CCN)[C@]1(C)CCS(=O)(=O)C1	ZINC000575421088	530687608	/nfs/dbraw/zinc/68/76/08/530687608.db2.gz	HSPDDKWJLWSTEA-OAHLLOKOSA-N	0	3	376.500	0.530	40	0		GCABHN
O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1)N1CCOCC1	ZINC000008299856	291102865	/nfs/dbraw/zinc/10/28/65/291102865.db2.gz	LAZWYZSFYZRHSF-BBWFWOEESA-N	0	3	389.500	0.609	40	0	biogenic,in-vitro	GCABHN
CC(=O)NCC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(C)=O)c2)CC1	ZINC000019698044	207149171	/nfs/dbraw/zinc/14/91/71/207149171.db2.gz	AJAWKPDFTLBPGH-IBGZPJMESA-N	0	3	387.484	0.858	40	0		GCABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(Cl)cc1	ZINC000020637060	207209205	/nfs/dbraw/zinc/20/92/05/207209205.db2.gz	NYJINFLWUYXNNF-GJZGRUSLSA-N	0	3	392.843	0.820	40	0		GCABHN
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@@H]1c1ccc(OC)cc1	ZINC000020636925	207209213	/nfs/dbraw/zinc/20/92/13/207209213.db2.gz	VIFHQHJEURAUFJ-JKSUJKDBSA-N	0	3	388.424	0.175	40	0		GCABHN
CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)COC)CC2	ZINC000096143633	208272229	/nfs/dbraw/zinc/27/22/29/208272229.db2.gz	NMQMRYATZJXSAC-ZWKOTPCHSA-N	0	3	386.496	0.999	40	0		GCABHN
CCS(=O)(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1	ZINC000096062601	208257425	/nfs/dbraw/zinc/25/74/25/208257425.db2.gz	YTKITQQGTDRPKO-LJQANCHMSA-N	0	3	392.525	0.835	40	0		GCABHN
CCS(=O)(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1	ZINC000096062602	208260032	/nfs/dbraw/zinc/26/00/32/208260032.db2.gz	YTKITQQGTDRPKO-IBGZPJMESA-N	0	3	392.525	0.835	40	0		GCABHN
CCS(=O)(=O)N1CCC2(CC3(CCN(CCOC)CC3)C(=O)N2C)CC1	ZINC000096262352	208297889	/nfs/dbraw/zinc/29/78/89/208297889.db2.gz	CCMCKHBRENBSIN-UHFFFAOYSA-N	0	3	387.546	0.761	40	0		GCABHN
C/C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000095831480	222360764	/nfs/dbraw/zinc/36/07/64/222360764.db2.gz	HRSGCYGUWHGOPY-CYVOKCENSA-N	0	3	397.468	0.305	40	0		GCABHN
CS(=O)(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1	ZINC000096036350	222372442	/nfs/dbraw/zinc/37/24/42/222372442.db2.gz	KDLJOVNUQMJSKA-GOSISDBHSA-N	0	3	378.498	0.445	40	0		GCABHN
CCOc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1OCCN1CCOCC1	ZINC000585272181	570242530	/nfs/dbraw/zinc/24/25/30/570242530.db2.gz	JLWLBLBJMIOZMQ-OALUTQOASA-N	0	3	393.528	0.903	40	0		GCABHN
O[C@]1(CN2CCOCC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000585274423	570243343	/nfs/dbraw/zinc/24/33/43/570243343.db2.gz	WJERZPSIHZHVEX-NRFANRHFSA-N	0	3	375.513	0.788	40	0		GCABHN
COc1cccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1	ZINC000585290900	570259430	/nfs/dbraw/zinc/25/94/30/570259430.db2.gz	XMEHWZIJNBCLGM-MOPGFXCFSA-N	0	3	392.477	0.581	40	0		GCABHN
COc1cc(OC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)cc2ccccc21	ZINC000002516259	570289706	/nfs/dbraw/zinc/28/97/06/570289706.db2.gz	QXUZIMTYKVLRTG-IRXDYDNUSA-N	0	3	398.419	0.524	40	0		GCABHN
COc1cc(OC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)cc2ccccc21	ZINC000002516259	570289709	/nfs/dbraw/zinc/28/97/09/570289709.db2.gz	QXUZIMTYKVLRTG-IRXDYDNUSA-N	0	3	398.419	0.524	40	0		GCABHN
COc1cc(CN2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)ccc1OCCN(C)C	ZINC000257249469	570487883	/nfs/dbraw/zinc/48/78/83/570487883.db2.gz	JIMZRDUVBBRULM-KZNAEPCWSA-N	0	3	395.500	0.068	40	0		GCABHN
CN(C)CCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000225800601	570618451	/nfs/dbraw/zinc/61/84/51/570618451.db2.gz	NAZQDUGOBNHYOZ-UHFFFAOYSA-N	0	3	385.486	0.682	40	0		GCABHN
CN1CCN(C[C@]2(O)CCCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1	ZINC000257233310	570766158	/nfs/dbraw/zinc/76/61/58/570766158.db2.gz	GOROSRMYIWTQTA-NRFANRHFSA-N	0	3	388.512	0.407	40	0		GCABHN
Cn1cc(C(=O)N2C[C@H]3CN(CCN4CCCC4)C(=O)[C@H]3C2)c(C(F)F)n1	ZINC000585107372	570934961	/nfs/dbraw/zinc/93/49/61/570934961.db2.gz	WAELVHFJMBXKLP-OLZOCXBDSA-N	0	3	381.427	0.984	40	0		GCABHN
Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)c(C(F)F)n1	ZINC000585107721	570936782	/nfs/dbraw/zinc/93/67/82/570936782.db2.gz	XMDPVDYIKZJAPP-CABCVRRESA-N	0	3	383.443	0.979	40	0		GCABHN
O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2ccco2)C1	ZINC000306127118	570937287	/nfs/dbraw/zinc/93/72/87/570937287.db2.gz	FOSFIPYIUOKVPS-HXUWFJFHSA-N	0	3	379.420	0.989	40	0		GCABHN
COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1	ZINC000008298011	570950573	/nfs/dbraw/zinc/95/05/73/570950573.db2.gz	QXHDDMPYFPQNBI-ZACQAIPSSA-N	0	3	391.516	0.903	40	0	biogenic,in-vitro	GCABHN
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](CC4CC4)C3)[n-]c(=O)c2C1	ZINC000019583773	571014768	/nfs/dbraw/zinc/01/47/68/571014768.db2.gz	XJBDVLDVKBTCDY-AWEZNQCLSA-N	0	3	395.529	0.936	40	0		GCABHN
CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](CC4CC4)C3)[n-]c(=O)c2C1	ZINC000019583773	571014770	/nfs/dbraw/zinc/01/47/70/571014770.db2.gz	XJBDVLDVKBTCDY-AWEZNQCLSA-N	0	3	395.529	0.936	40	0		GCABHN
COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCC2)cc(OC)c1	ZINC000020465042	575367422	/nfs/dbraw/zinc/36/74/22/575367422.db2.gz	IZKHHEXKDUPMAZ-VSZNYVQBSA-N	0	3	395.456	0.410	40	0	biogenic,in-vitro	GCABHN
CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCCCC2)cc1	ZINC000020465698	575368030	/nfs/dbraw/zinc/36/80/30/575368030.db2.gz	RBBZZFBMKBQXRH-YDZRNGNQSA-N	0	3	377.485	0.458	40	0	biogenic,in-vitro	GCABHN
CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2nccs2)CC1	ZINC001772595305	1187053732	/nfs/dbraw/zinc/05/37/32/1187053732.db2.gz	LEULMRUKZJTOCT-OAHLLOKOSA-N	0	3	389.525	0.944	40	0		GCABHN
COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1	ZINC000008299749	1197441558	/nfs/dbraw/zinc/44/15/58/1197441558.db2.gz	IMSMXNAXBBPXRK-XHSDSOJGSA-N	0	3	377.489	0.513	40	0	biogenic,in-vitro	GCABHN
C[C@@]1(N(CCN)S(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1	ZINC000575424577	530689099	/nfs/dbraw/zinc/68/90/99/530689099.db2.gz	BKFQDTLYGKHFIF-MRXNPFEDSA-N	0	3	383.495	0.761	40	0		GCABHN
COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1	ZINC000020503886	291101289	/nfs/dbraw/zinc/10/12/89/291101289.db2.gz	XWGNORHEZGBSJN-GBESFXJTSA-N	0	3	387.528	0.677	40	0	biogenic,in-vitro	GCABHN
O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	ZINC000008298667	291102502	/nfs/dbraw/zinc/10/25/02/291102502.db2.gz	BBDWLIBQDLHGNW-IPELMVKDSA-N	0	3	387.459	0.979	40	0	biogenic,in-vitro	GCABHN
Cc1nc(N[C@H](C)CO)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000328979151	206239607	/nfs/dbraw/zinc/23/96/07/206239607.db2.gz	GDBBSXCBMQUQGT-LLVKDONJSA-N	0	3	377.470	0.788	40	0		GCABHN
Cc1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(=O)n(C)c(=O)n1C	ZINC000057796506	207758130	/nfs/dbraw/zinc/75/81/30/207758130.db2.gz	UNOWVZGFPAKUJA-UHFFFAOYSA-N	0	3	384.436	0.507	40	0		GCABHN
NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000020465423	136202559	/nfs/dbraw/zinc/20/25/59/136202559.db2.gz	RDFLVIUMUOWTEP-FXUDXRNXSA-N	0	3	375.391	0.275	40	0	biogenic,in-vitro	GCABHN
Cc1nc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc(-n2cccn2)n1	ZINC000224316304	136206693	/nfs/dbraw/zinc/20/66/93/136206693.db2.gz	IDLNYESJILODIB-UHFFFAOYSA-N	0	3	393.455	0.789	40	0		GCABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1cccc(Cl)c1	ZINC000013640107	528049180	/nfs/dbraw/zinc/04/91/80/528049180.db2.gz	DHVRIOIHHNCQHE-CABCVRRESA-N	0	3	392.843	0.820	40	0		GCABHN
C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000072188430	560078258	/nfs/dbraw/zinc/07/82/58/560078258.db2.gz	HRSGCYGUWHGOPY-SWHUVEJCSA-N	0	3	397.468	0.305	40	0	biogenic,in-vitro	GCABHN
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2CC2CC2)N1C	ZINC000035442344	560079370	/nfs/dbraw/zinc/07/93/70/560079370.db2.gz	ZPLJINUZZIYZDT-XFKSJGNHSA-N	0	3	392.544	0.687	40	0	biogenic,in-vitro	GCABHN
CN1CCC[C@@H](NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1	ZINC000019751380	570215579	/nfs/dbraw/zinc/21/55/79/570215579.db2.gz	NOIZAWLULWJNTK-GOSISDBHSA-N	0	3	382.464	0.989	40	0		GCABHN
CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)C1	ZINC000096267622	570227759	/nfs/dbraw/zinc/22/77/59/570227759.db2.gz	HVDOTEVMRHPPAR-GDBMZVCRSA-N	0	3	399.499	0.976	40	0		GCABHN
COc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1OCCN1CCOCC1	ZINC000585272948	570241301	/nfs/dbraw/zinc/24/13/01/570241301.db2.gz	NPYYBRLDPJBIPN-ROUUACIJSA-N	0	3	379.501	0.513	40	0		GCABHN
COCC(=O)N[C@@H]1CN(Cc2cccc(OCCN3CCCCC3)c2)C[C@H]1O	ZINC000585271721	570242037	/nfs/dbraw/zinc/24/20/37/570242037.db2.gz	GTMCTWLSALNGOZ-WOJBJXKFSA-N	0	3	391.512	0.859	40	0		GCABHN
CC(=O)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C[C@@H](C(N)=O)C1	ZINC000585289173	570257353	/nfs/dbraw/zinc/25/73/53/570257353.db2.gz	NIMWCNFTNOLPAC-GDAAHCPNSA-N	0	3	375.469	0.613	40	0		GCABHN
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cc(F)cc(F)c2)C1	ZINC000585289870	570257886	/nfs/dbraw/zinc/25/78/86/570257886.db2.gz	LQOWBEGAEIKBEH-MSOLQXFVSA-N	0	3	398.431	0.851	40	0		GCABHN
O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(CO)CC2)[C@@H](O)C1	ZINC000585290873	570259374	/nfs/dbraw/zinc/25/93/74/570259374.db2.gz	WZFOTNJXVBIMKC-FPOVZHCZSA-N	0	3	376.497	0.648	40	0		GCABHN
Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1	ZINC000022933756	570337600	/nfs/dbraw/zinc/33/76/00/570337600.db2.gz	JCXOBKCKSDPLAR-KRWDZBQOSA-N	0	3	396.557	0.903	40	0		GCABHN
COc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1	ZINC000022933912	570337754	/nfs/dbraw/zinc/33/77/54/570337754.db2.gz	ZOPXYKRVJLMIEZ-UHFFFAOYSA-N	0	3	398.529	0.215	40	0		GCABHN
Cc1cccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1C	ZINC000022829610	570377682	/nfs/dbraw/zinc/37/76/82/570377682.db2.gz	OLTGKRJFLHOSCI-UHFFFAOYSA-N	0	3	396.557	0.823	40	0		GCABHN
CN(C)CCNC(=O)c1nnc2n1C1(CCN(Cc3ccco3)CC1)COC2	ZINC000306132587	570940348	/nfs/dbraw/zinc/94/03/48/570940348.db2.gz	LMZQBBHCGIDZLP-UHFFFAOYSA-N	0	3	388.472	0.684	40	0		GCABHN
COc1cc(N2CCc3nc4c(c(=O)n3CC2)CN(CC2CC2)CC4)ncn1	ZINC000306141945	570945755	/nfs/dbraw/zinc/94/57/55/570945755.db2.gz	WLAAFWFDYYTMHV-UHFFFAOYSA-N	0	3	382.468	0.873	40	0		GCABHN
Cn1c2nc(N3CCNCC3)n(Cc3c(F)cccc3Cl)c2c(=O)[nH]c1=O	ZINC000005147947	570995710	/nfs/dbraw/zinc/99/57/10/570995710.db2.gz	ISSDPDVHHMAGEC-UHFFFAOYSA-N	0	3	392.822	0.674	40	0		GCABHN
Cn1c2ccc(CN3CCC(C(N)=O)(N4CCOCC4)CC3)cc2n(C)c1=O	ZINC000019657809	571024283	/nfs/dbraw/zinc/02/42/83/571024283.db2.gz	IYHZGMMHZGKJOV-UHFFFAOYSA-N	0	3	387.484	0.029	40	0		GCABHN
COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)c1cccnc1)CC2	ZINC001772595426	1187053555	/nfs/dbraw/zinc/05/35/55/1187053555.db2.gz	VLMJKQAOYWXVGX-QGZVFWFLSA-N	0	3	387.484	0.119	40	0		GCABHN
O=S(=O)(c1cncc(Br)c1N1CCNCC1)N1CCOCC1	ZINC000072210899	530255239	/nfs/dbraw/zinc/25/52/39/530255239.db2.gz	CLWURIDXAJNEJU-UHFFFAOYSA-N	0	3	391.291	0.275	40	0		GCABHN
COc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCC(N)=O	ZINC000016363647	530376044	/nfs/dbraw/zinc/37/60/44/530376044.db2.gz	SOBXGJRRDREHFI-UHFFFAOYSA-N	0	3	386.865	0.618	40	0		GCABHN
O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1)N1CCOCC1	ZINC000008299858	291102878	/nfs/dbraw/zinc/10/28/78/291102878.db2.gz	LAZWYZSFYZRHSF-ZACQAIPSSA-N	0	3	389.500	0.609	40	0	biogenic,in-vitro	GCABHN
CN(C)CCNc1nccc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000329054030	212095206	/nfs/dbraw/zinc/09/52/06/212095206.db2.gz	VJDSJRDAXQZSKE-UHFFFAOYSA-N	0	3	376.486	0.660	40	0		GCABHN
CN(C)CCNC(=O)c1cnc2n1C[C@H](NC(=O)c1cccc(N(C)C)c1)CC2	ZINC000306141324	209106076	/nfs/dbraw/zinc/10/60/76/209106076.db2.gz	VRZSGXPSZICNJY-MRXNPFEDSA-N	0	3	398.511	0.985	40	0		GCABHN
CC(=O)NCC(=O)N1CCC[C@H]1c1cc(N2CCN(C(C)=O)CC2)cc(C)n1	ZINC000019698323	207148282	/nfs/dbraw/zinc/14/82/82/207148282.db2.gz	HXPLIHPPOTYIKW-IBGZPJMESA-N	0	3	387.484	0.858	40	0		GCABHN
CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(C)=O)CC2)cc(C)n1	ZINC000019698322	207148532	/nfs/dbraw/zinc/14/85/32/207148532.db2.gz	HXPLIHPPOTYIKW-LJQANCHMSA-N	0	3	387.484	0.858	40	0		GCABHN
CCN1Cc2c(C(=O)NCCN(C)C)ncn2-c2ccccc2S1(=O)=O	ZINC000096147351	208273853	/nfs/dbraw/zinc/27/38/53/208273853.db2.gz	QYPXWIDDMPSENT-UHFFFAOYSA-N	0	3	377.470	0.688	40	0		GCABHN
CS(=O)(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1	ZINC000096036351	208252885	/nfs/dbraw/zinc/25/28/85/208252885.db2.gz	KDLJOVNUQMJSKA-SFHVURJKSA-N	0	3	378.498	0.445	40	0		GCABHN
CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)NCCN(C)C)Cn1ccnc12	ZINC000096263217	208298219	/nfs/dbraw/zinc/29/82/19/208298219.db2.gz	UFENRQNHECOVCN-HNNXBMFYSA-N	0	3	392.504	0.369	40	0		GCABHN
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C=O)CC2)N[C@H]1c1ccc(Cl)cc1	ZINC000020637059	221507456	/nfs/dbraw/zinc/50/74/56/221507456.db2.gz	NYJINFLWUYXNNF-CABCVRRESA-N	0	3	392.843	0.820	40	0		GCABHN
Cc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O	ZINC000225513826	560042352	/nfs/dbraw/zinc/04/23/52/560042352.db2.gz	MFYSCIATMOUMOB-VXXGZENSSA-N	0	3	390.480	0.619	40	0	biogenic,in-vitro	GCABHN
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21)N1CCCC1	ZINC000022936700	560091811	/nfs/dbraw/zinc/09/18/11/560091811.db2.gz	GELUFBGSBZTFKW-DAYGRLMNSA-N	0	3	390.484	0.205	40	0	biogenic,in-vitro	GCABHN
CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)CN21	ZINC000022936678	560091853	/nfs/dbraw/zinc/09/18/53/560091853.db2.gz	JPTSTLNYCYZAMH-VBQJREDUSA-N	0	3	378.473	0.108	40	0	biogenic,in-vitro	GCABHN
CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cn32)C1	ZINC000096267624	570227591	/nfs/dbraw/zinc/22/75/91/570227591.db2.gz	HVDOTEVMRHPPAR-GOEBONIOSA-N	0	3	399.499	0.976	40	0		GCABHN
CN1CCN(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1	ZINC000022829702	570377618	/nfs/dbraw/zinc/37/76/18/570377618.db2.gz	CYBNVYDPJAYYGZ-UHFFFAOYSA-N	0	3	386.493	0.345	40	0		GCABHN
COc1ccccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O	ZINC000022829696	570377651	/nfs/dbraw/zinc/37/76/51/570377651.db2.gz	ZOLJTNRKXZXXJC-UHFFFAOYSA-N	0	3	398.529	0.215	40	0		GCABHN
Cn1ccnc1COc1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1	ZINC000257234911	570487935	/nfs/dbraw/zinc/48/79/35/570487935.db2.gz	GVOVOUDRVQXMAU-PMACEKPBSA-N	0	3	385.512	0.792	40	0		GCABHN
CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(CC(=O)Nc1ccc4[nH]c(=O)[nH]c4c1)C2)[C@H]3O	ZINC000257231013	570765188	/nfs/dbraw/zinc/76/51/88/570765188.db2.gz	GEUWZBKLPZPMEW-VFJAGCFOSA-N	0	3	399.495	0.960	40	0		GCABHN
CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NCc2ccccn2)[C@@H](O)[C@@H]1O	ZINC000257296693	570777512	/nfs/dbraw/zinc/77/75/12/570777512.db2.gz	RDZGZYAJOPMIQO-MUIFIZLQSA-N	0	3	383.456	0.502	40	0		GCABHN
O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1	ZINC000008253945	1197302541	/nfs/dbraw/zinc/30/25/41/1197302541.db2.gz	IBQJQVFJCZATNU-BBWFWOEESA-N	0	3	382.468	0.909	40	0	biogenic,in-vitro	GCABHN