smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1	ZINC000019590707	571018711	/nfs/dbraw/zinc/01/87/11/571018711.db2.gz	GVFOQDFOWASSPZ-UHFFFAOYSA-N	2	0	382.508	2.861	40	0		GFABRP
O=C1NCC[C@@]12C[N@H+](Cc1cccnc1)CC21CC[NH+](Cc2cccs2)CC1	ZINC000096036338	571095952	/nfs/dbraw/zinc/09/59/52/571095952.db2.gz	SJJSUWJEDSXIOZ-JOCHJYFZSA-N	2	0	396.560	2.747	40	0		GFABRP
[NH3+]CCCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3C[NH2+]CC[C@@H]32)c1	ZINC000257328709	206179783	/nfs/dbraw/zinc/17/97/83/206179783.db2.gz	XGUDZETVRINXRO-FKBYEOEOSA-N	2	0	379.504	2.632	40	0		GFABRP
CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH+](Cc3ccco3)CC2)O1	ZINC000306124826	206197517	/nfs/dbraw/zinc/19/75/17/206197517.db2.gz	CAMFJKHBYNKMEX-OAQYLSRUSA-N	2	0	397.519	2.603	40	0		GFABRP
COc1ccc(C[N@@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c(OC)c1	ZINC000019590475	571018240	/nfs/dbraw/zinc/01/82/40/571018240.db2.gz	AVZUHSNKJCQCFY-KRWDZBQOSA-N	2	0	382.508	2.861	40	0		GFABRP
Cc1nc(CC(=O)N2CCC[C@@H]2c2cc(N3CC[NH+](C)CC3)cc(C)[nH+]2)cs1	ZINC000019698331	571030861	/nfs/dbraw/zinc/03/08/61/571030861.db2.gz	UNBAHOUGOQGNQJ-HXUWFJFHSA-N	2	0	399.564	2.813	40	0		GFABRP
CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH+](Cc3ccco3)CC2)O1	ZINC000306124825	206197645	/nfs/dbraw/zinc/19/76/45/206197645.db2.gz	CAMFJKHBYNKMEX-NRFANRHFSA-N	2	0	397.519	2.603	40	0		GFABRP
CCc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1	ZINC000096225679	570220474	/nfs/dbraw/zinc/22/04/74/570220474.db2.gz	RYUIMIWCOVBLAJ-HSZRJFAPSA-N	2	0	398.551	2.522	40	0		GFABRP
CC[NH+]1CCC(C(=O)N2CCC3(C[N@H+](CC(C)C)C[C@H]3COC)CC2)CC1	ZINC000248248709	206138679	/nfs/dbraw/zinc/13/86/79/206138679.db2.gz	RKHXKYPZNSIPTR-FQEVSTJZSA-N	2	0	379.589	2.561	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218473807	553053798	/nfs/dbraw/zinc/05/37/98/553053798.db2.gz	KVUJHVCOAZYBNB-CVEARBPZSA-N	2	0	385.316	2.837	40	0		GFABRP
CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1	ZINC000096225592	570220496	/nfs/dbraw/zinc/22/04/96/570220496.db2.gz	IZJNOFFGHOJYAE-QHCPKHFHSA-N	2	0	398.551	2.743	40	0		GFABRP
C[NH+](C)Cc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1	ZINC000012122591	221155999	/nfs/dbraw/zinc/15/59/99/221155999.db2.gz	UADJCHPVINUKJR-UHFFFAOYSA-N	2	0	375.476	2.864	40	0		GFABRP
C[NH+](C)CCN1CCC[C@@]2(C[N@H+](CC3CCCC3)C[C@H]2c2cccnc2)C1=O	ZINC000306126556	209097098	/nfs/dbraw/zinc/09/70/98/209097098.db2.gz	DYXZHMBAGQZHLE-GMAHTHKFSA-N	2	0	384.568	2.841	40	0		GFABRP
COc1cc2c(cc1C[N@H+]1CCc3nnc([C@@H]4CCC[NH2+]C4)n3CC1)CCCC2	ZINC000072370900	208004891	/nfs/dbraw/zinc/00/48/91/208004891.db2.gz	NWVIHVDQOUHBOW-LJQANCHMSA-N	2	0	395.551	2.691	40	0		GFABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)[nH+]1	ZINC000019698344	207148657	/nfs/dbraw/zinc/14/86/57/207148657.db2.gz	YBWJMZLPSOQLRT-NRFANRHFSA-N	2	0	394.523	2.526	40	0		GFABRP
C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1	ZINC000223257583	208896364	/nfs/dbraw/zinc/89/63/64/208896364.db2.gz	HKEPTSGCHUWLBP-VQTJNVASSA-N	2	0	392.532	2.801	40	0		GFABRP
C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1cccnc1)CC3	ZINC000096036304	208253689	/nfs/dbraw/zinc/25/36/89/208253689.db2.gz	OBQZMWNJSRGZGG-NZQKXSOJSA-N	2	0	382.552	2.628	40	0		GFABRP
CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]CC5)C3)ccc2O1	ZINC000019709238	207151115	/nfs/dbraw/zinc/15/11/15/207151115.db2.gz	FTULYDTWVCYYRC-QGZVFWFLSA-N	2	0	381.524	2.517	40	0		GFABRP
CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1	ZINC000096225593	208287864	/nfs/dbraw/zinc/28/78/64/208287864.db2.gz	IZJNOFFGHOJYAE-HSZRJFAPSA-N	2	0	398.551	2.743	40	0		GFABRP
O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC21CC[NH+](Cc2cccs2)CC1	ZINC000096036339	208254052	/nfs/dbraw/zinc/25/40/52/208254052.db2.gz	SJJSUWJEDSXIOZ-QFIPXVFZSA-N	2	0	396.560	2.747	40	0		GFABRP
Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH+](Cc4ccco4)CC3)O2)cc1	ZINC000306134608	209101213	/nfs/dbraw/zinc/10/12/13/209101213.db2.gz	NTMLDRYZCPOYEA-OAQYLSRUSA-N	2	0	397.519	2.570	40	0		GFABRP
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+]2CCCC2)Cc2cn(C)c3cccc1c23	ZINC000049171461	291119214	/nfs/dbraw/zinc/11/92/14/291119214.db2.gz	NBNMHBLQIBEVLR-PMACEKPBSA-N	2	0	382.552	2.992	40	0	biogenic,in-vitro	GFABRP
CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH+](Cc3ccoc3)CC2)O1	ZINC000306144534	212055511	/nfs/dbraw/zinc/05/55/11/212055511.db2.gz	ZICHJTOGLCTLCG-OAQYLSRUSA-N	2	0	397.519	2.603	40	0		GFABRP
[NH3+]CCc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3F)[C@H]3C[NH2+]CC[C@H]32)cc1	ZINC000257227689	212006874	/nfs/dbraw/zinc/00/68/74/212006874.db2.gz	FQLWXDAXRPXCEA-SFHLNBCPSA-N	2	0	385.458	2.684	40	0		GFABRP
CCN1CC[C@]2(C[N@H+](CCOC)CC23CC[NH+](Cc2cccs2)CC3)C1=O	ZINC000096036416	211294395	/nfs/dbraw/zinc/29/43/95/211294395.db2.gz	VQIRFBDKDJQUIR-NRFANRHFSA-N	2	0	391.581	2.531	40	0		GFABRP
COc1cc2c(c(N[C@H](C)CCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1)NCCC2	ZINC000004707129	570396324	/nfs/dbraw/zinc/39/63/24/570396324.db2.gz	OQUAFFGOYICMST-CQSZACIVSA-N	2	0	389.548	2.681	40	0		GFABRP
C[NH2+]CCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3C[NH2+]CC[C@@H]32)c1	ZINC000257218064	212005949	/nfs/dbraw/zinc/00/59/49/212005949.db2.gz	DBSGJCUGCXMSIZ-FKBYEOEOSA-N	2	0	379.504	2.503	40	0		GFABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)COc2ccccc2)[nH+]1	ZINC000019698142	210280827	/nfs/dbraw/zinc/28/08/27/210280827.db2.gz	KFXGIKBBWFMJAO-JOCHJYFZSA-N	2	0	394.519	2.884	40	0		GFABRP
C[NH+]1CCN(CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1	ZINC000022926495	570336068	/nfs/dbraw/zinc/33/60/68/570336068.db2.gz	MDQRYZVMQQUSMX-TYABSZSSSA-N	2	0	389.559	2.914	40	0		GFABRP
COc1cc2cccnc2c(NCCCCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1	ZINC000004707214	570396539	/nfs/dbraw/zinc/39/65/39/570396539.db2.gz	YWYYLZXQHXSWBU-UHFFFAOYSA-N	2	0	385.516	2.872	40	0		GFABRP
CN(C)C(=O)NC[C@@H]1[N@H+](Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2	ZINC000306145143	212056798	/nfs/dbraw/zinc/05/67/98/212056798.db2.gz	ZZIUAFUJSSIKKK-IBGZPJMESA-N	2	0	376.520	2.773	40	0		GFABRP
CCN1CC[C@]2(C[N@H+](CCOC)CC23CC[NH+](Cc2ccsc2)CC3)C1=O	ZINC000097952883	211373920	/nfs/dbraw/zinc/37/39/20/211373920.db2.gz	ZVYMVEFKYGZXTA-NRFANRHFSA-N	2	0	391.581	2.531	40	0		GFABRP
COc1cccc2cc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]CC5)C3)oc21	ZINC000019709361	210284272	/nfs/dbraw/zinc/28/42/72/210284272.db2.gz	LOSDNVLBUCQWIC-MRXNPFEDSA-N	2	0	381.480	2.558	40	0		GFABRP
C[NH+](C)CCN1CCC[C@@]2(C[N@H+](CC3CCCC3)C[C@@H]2c2cccnc2)C1=O	ZINC000306126555	212045551	/nfs/dbraw/zinc/04/55/51/212045551.db2.gz	DYXZHMBAGQZHLE-GGAORHGYSA-N	2	0	384.568	2.841	40	0		GFABRP
C[NH+]1CCC(c2ncc3c(n2)CCN(C(=O)CCC[NH+]2CCCCCC2)C3)CC1	ZINC000019588260	210273170	/nfs/dbraw/zinc/27/31/70/210273170.db2.gz	OFNWMUNCVNDGSN-UHFFFAOYSA-N	2	0	399.583	2.827	40	0		GFABRP
C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1	ZINC000223257635	570453731	/nfs/dbraw/zinc/45/37/31/570453731.db2.gz	HKEPTSGCHUWLBP-WOJBJXKFSA-N	2	0	392.532	2.801	40	0		GFABRP
CN(C)C(=O)NC[C@H]1[N@H+](Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2	ZINC000306145144	212056226	/nfs/dbraw/zinc/05/62/26/212056226.db2.gz	ZZIUAFUJSSIKKK-LJQANCHMSA-N	2	0	376.520	2.773	40	0		GFABRP
C[NH+](C)Cc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1	ZINC000012121812	221155016	/nfs/dbraw/zinc/15/50/16/221155016.db2.gz	GLUVJIKEUFNRSF-UHFFFAOYSA-N	2	0	375.476	2.864	40	0		GFABRP
C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1	ZINC000223257525	570453749	/nfs/dbraw/zinc/45/37/49/570453749.db2.gz	HKEPTSGCHUWLBP-UXHICEINSA-N	2	0	392.532	2.801	40	0		GFABRP
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCCCC2)on1)N1CCCCC1	ZINC000015673818	560230757	/nfs/dbraw/zinc/23/07/57/560230757.db2.gz	IRZHOLWDQPETRL-OALUTQOASA-N	2	0	388.556	2.831	40	0	biogenic,in-vitro	GFABRP
C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000019587630	570927829	/nfs/dbraw/zinc/92/78/29/570927829.db2.gz	POVDKCYQDGQFBZ-YRISNDGFSA-N	2	0	389.515	2.833	40	0		GFABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)[nH+]1	ZINC000019698312	210280920	/nfs/dbraw/zinc/28/09/20/210280920.db2.gz	JGGMIRNUOUHQGK-NRFANRHFSA-N	2	0	396.539	2.966	40	0		GFABRP
C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1	ZINC000223257455	570453781	/nfs/dbraw/zinc/45/37/81/570453781.db2.gz	HKEPTSGCHUWLBP-PMACEKPBSA-N	2	0	392.532	2.801	40	0		GFABRP
O=C(C[NH+]1CCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1	ZINC000257262186	212012884	/nfs/dbraw/zinc/01/28/84/212012884.db2.gz	LKMDXTIMFAUTJK-FIXSFTCYSA-N	2	0	399.579	2.536	40	0		GFABRP
c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]CC5)C3)cc2)nc1	ZINC000019709366	210283947	/nfs/dbraw/zinc/28/39/47/210283947.db2.gz	JKCZQEUQQJZGMJ-FQEVSTJZSA-N	2	0	388.519	2.865	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218474026	553053921	/nfs/dbraw/zinc/05/39/21/553053921.db2.gz	KVUJHVCOAZYBNB-JKSUJKDBSA-N	2	0	385.316	2.837	40	0		GFABRP
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218502932	553053870	/nfs/dbraw/zinc/05/38/70/553053870.db2.gz	KAYIDUZEWTVDAI-ROUUACIJSA-N	2	0	378.925	2.746	40	0		GFABRP
COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1C[NH+](C)C	ZINC000019583405	571014042	/nfs/dbraw/zinc/01/40/42/571014042.db2.gz	CCMXXNQSHNQRIP-SFHVURJKSA-N	2	0	396.535	2.639	40	0		GFABRP
Cc1nc(CC(=O)N2CCC[C@H]2c2cc(N3CC[NH+](C)CC3)cc(C)[nH+]2)cs1	ZINC000019698330	571031098	/nfs/dbraw/zinc/03/10/98/571031098.db2.gz	UNBAHOUGOQGNQJ-FQEVSTJZSA-N	2	0	399.564	2.813	40	0		GFABRP
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218503013	553053847	/nfs/dbraw/zinc/05/38/47/553053847.db2.gz	KAYIDUZEWTVDAI-QZTJIDSGSA-N	2	0	378.925	2.746	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000218473953	553054048	/nfs/dbraw/zinc/05/40/48/553054048.db2.gz	KVUJHVCOAZYBNB-HZPDHXFCSA-N	2	0	385.316	2.837	40	0		GFABRP
COc1cccc(C[N@@H+]2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c1OC	ZINC000019590477	571018090	/nfs/dbraw/zinc/01/80/90/571018090.db2.gz	NJRRSKNSKIPXSK-KRWDZBQOSA-N	2	0	382.508	2.861	40	0		GFABRP
CCN1CC[C@@]2(C[N@H+](CCOC)CC23CC[NH+](Cc2ccsc2)CC3)C1=O	ZINC000097952884	570261443	/nfs/dbraw/zinc/26/14/43/570261443.db2.gz	ZVYMVEFKYGZXTA-OAQYLSRUSA-N	2	0	391.581	2.531	40	0		GFABRP
C[NH+](C)CCOc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3C[NH2+]CC[C@@H]32)c1	ZINC000257328885	570782551	/nfs/dbraw/zinc/78/25/51/570782551.db2.gz	XHMATOYELFMZCV-VABKMULXSA-N	2	0	393.531	2.845	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218472690	553053784	/nfs/dbraw/zinc/05/37/84/553053784.db2.gz	CFXYNICRUQHKIL-JKSUJKDBSA-N	2	0	385.316	2.837	40	0		GFABRP
CC(C)CC[NH2+]C[C@H]1O[C@H](Cc2cc(C[NH+]3CCCCC3)on2)CC[C@@H]1O	ZINC000096296050	560060489	/nfs/dbraw/zinc/06/04/89/560060489.db2.gz	ANGOZRYREDMATQ-SESVDKBCSA-N	2	0	379.545	2.747	40	0	biogenic,in-vitro	GFABRP
COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c(OC)c1	ZINC000019590474	571018173	/nfs/dbraw/zinc/01/81/73/571018173.db2.gz	AVZUHSNKJCQCFY-QGZVFWFLSA-N	2	0	382.508	2.861	40	0		GFABRP
COc1cc2c(cc1C[N@H+]1CCc3nnc([C@@H]4CCCC[NH2+]4)n3CC1)CCC2	ZINC000072372826	222242313	/nfs/dbraw/zinc/24/23/13/222242313.db2.gz	CPDXJQCAHUAOFK-IBGZPJMESA-N	2	0	381.524	2.648	40	0		GFABRP
CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CC[NH+](CC2CC2)CC3)C1=O	ZINC000096036480	222373157	/nfs/dbraw/zinc/37/31/57/222373157.db2.gz	NMBRYCGTPXZXMP-QHCPKHFHSA-N	2	0	382.552	2.628	40	0		GFABRP
CC[NH+]1CCC(C(=O)N2CCC3(C[N@H+](CC(C)C)C[C@@H]3COC)CC2)CC1	ZINC000248248711	570722283	/nfs/dbraw/zinc/72/22/83/570722283.db2.gz	RKHXKYPZNSIPTR-HXUWFJFHSA-N	2	0	379.589	2.561	40	0		GFABRP
Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(N3CC[NH+](C)CC3)cc(C)[nH+]2)o1	ZINC000019698320	571031048	/nfs/dbraw/zinc/03/10/48/571031048.db2.gz	NUTGYNWMGSJTSF-LJQANCHMSA-N	2	0	383.496	2.724	40	0		GFABRP
CCn1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]CC4)CC2)c2ccc(F)cc21	ZINC000019709422	571033985	/nfs/dbraw/zinc/03/39/85/571033985.db2.gz	GZAVQQCYGYSMKI-UHFFFAOYSA-N	2	0	396.514	2.917	40	0		GFABRP
C[NH2+]CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1	ZINC000585172748	570997837	/nfs/dbraw/zinc/99/78/37/570997837.db2.gz	DMLINYHGRJDFJG-DNVJHFABSA-N	2	0	393.531	2.731	40	0		GFABRP
Fc1ccc(C[N@@H+]2C[C@@H]3Cc4cnc(NCC[NH+]5CCCC5)nc4[C@H]3C2)cc1	ZINC000306130605	206202067	/nfs/dbraw/zinc/20/20/67/206202067.db2.gz	JKUMCOQTDNWRFT-ICSRJNTNSA-N	2	0	381.499	2.895	40	0		GFABRP
CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CC[NH+](CC2CC2)CC3)C1=O	ZINC000096036481	571096485	/nfs/dbraw/zinc/09/64/85/571096485.db2.gz	NMBRYCGTPXZXMP-HSZRJFAPSA-N	2	0	382.552	2.628	40	0		GFABRP
COc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1OC	ZINC000019590710	571018575	/nfs/dbraw/zinc/01/85/75/571018575.db2.gz	GQYFGXIJQDBLDN-UHFFFAOYSA-N	2	0	382.508	2.861	40	0		GFABRP
C[NH+](C)CCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1	ZINC000008623802	560209904	/nfs/dbraw/zinc/20/99/04/560209904.db2.gz	OCXYSDNEUCQBGD-OALUTQOASA-N	2	0	390.572	2.634	40	0	biogenic,in-vitro	GFABRP
CN(C)C(=O)C[NH+]1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc12	ZINC000096242428	570222705	/nfs/dbraw/zinc/22/27/05/570222705.db2.gz	HCGVSKYATYYDAD-UHFFFAOYSA-N	2	0	378.520	2.519	40	0		GFABRP
COc1c2c(cc3c1[C@H](Cc1cc(N)c4ccccc4[n+]1C)[N@H+](C)CC3)OCO2	ZINC000020112709	570941186	/nfs/dbraw/zinc/94/11/86/570941186.db2.gz	XEPPVVCGCAFDLT-IBGZPJMESA-O	2	0	392.479	2.756	40	0		GFABRP
COc1cccc2cc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]CC5)C3)oc21	ZINC000019709362	571034283	/nfs/dbraw/zinc/03/42/83/571034283.db2.gz	LOSDNVLBUCQWIC-INIZCTEOSA-N	2	0	381.480	2.558	40	0		GFABRP
COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2nn(CC[NH+](C)C)c3nccnc23)C1	ZINC000072391697	205341433	/nfs/dbraw/zinc/34/14/33/205341433.db2.gz	NEYXBAIFEAIWHS-QGZVFWFLSA-N	2	0	394.523	2.694	40	0		GFABRP
C[NH+](C)CCN1CCC[C@]2(C[N@H+](CC3CCCC3)C[C@H]2c2cccnc2)C1=O	ZINC000306126557	206196681	/nfs/dbraw/zinc/19/66/81/206196681.db2.gz	DYXZHMBAGQZHLE-JTHBVZDNSA-N	2	0	384.568	2.841	40	0		GFABRP
COc1cc2c(cc1C[N@H+]1CCc3nnc([C@H]4CCC[NH2+]C4)n3CC1)CCCC2	ZINC000072370901	205335516	/nfs/dbraw/zinc/33/55/16/205335516.db2.gz	NWVIHVDQOUHBOW-IBGZPJMESA-N	2	0	395.551	2.691	40	0		GFABRP
COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)C[NH+]4CCCCCC4)C[C@@H]32)cc1	ZINC000257235909	206165326	/nfs/dbraw/zinc/16/53/26/206165326.db2.gz	HABDXYSVQAKTFA-YPAWHYETSA-N	2	0	385.552	2.817	40	0		GFABRP
Fc1ccc(C[N@H+]2C[C@@H]3c4nc(NCC[NH+]5CCCC5)ncc4C[C@@H]3C2)cc1	ZINC000306130606	206201310	/nfs/dbraw/zinc/20/13/10/206201310.db2.gz	JKUMCOQTDNWRFT-QUCCMNQESA-N	2	0	381.499	2.895	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218472450	553054059	/nfs/dbraw/zinc/05/40/59/553054059.db2.gz	CFXYNICRUQHKIL-CVEARBPZSA-N	2	0	385.316	2.837	40	0		GFABRP
COc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c(OC)c1	ZINC000019590712	571018738	/nfs/dbraw/zinc/01/87/38/571018738.db2.gz	HZSYGPANYUKWCD-UHFFFAOYSA-N	2	0	382.508	2.861	40	0		GFABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)c2cnc(C)nc2C)[nH+]1	ZINC000019698345	571030995	/nfs/dbraw/zinc/03/09/95/571030995.db2.gz	YBWJMZLPSOQLRT-OAQYLSRUSA-N	2	0	394.523	2.526	40	0		GFABRP
CC(C)[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3c4cc[nH]c4ncc3Cl)O2)C1	ZINC000248168178	209029596	/nfs/dbraw/zinc/02/95/96/209029596.db2.gz	PWBFMKYYXXPIRE-FOIQADDNSA-N	2	0	392.931	2.964	40	0		GFABRP
CC[NH+](CC)CCOC(=O)OCCCCOC(=O)OCC[NH+](CC)CC	ZINC000004538613	570382660	/nfs/dbraw/zinc/38/26/60/570382660.db2.gz	LXKLDEHHUOCPJC-UHFFFAOYSA-N	2	0	376.494	2.757	40	0		GFABRP
CCN1CC[C@@]2(C[N@H+](CCOC)CC23CC[NH+](Cc2cccs2)CC3)C1=O	ZINC000096036417	208253177	/nfs/dbraw/zinc/25/31/77/208253177.db2.gz	VQIRFBDKDJQUIR-OAQYLSRUSA-N	2	0	391.581	2.531	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1	ZINC000218472620	553053971	/nfs/dbraw/zinc/05/39/71/553053971.db2.gz	CFXYNICRUQHKIL-HZPDHXFCSA-N	2	0	385.316	2.837	40	0		GFABRP
Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(N3CC[NH+](C)CC3)cc(C)[nH+]2)o1	ZINC000019698319	207147919	/nfs/dbraw/zinc/14/79/19/207147919.db2.gz	NUTGYNWMGSJTSF-IBGZPJMESA-N	2	0	383.496	2.724	40	0		GFABRP
CCc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1	ZINC000096225678	208288187	/nfs/dbraw/zinc/28/81/87/208288187.db2.gz	RYUIMIWCOVBLAJ-QHCPKHFHSA-N	2	0	398.551	2.522	40	0		GFABRP
CC(=O)N1CCO[C@]2(CCC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1	ZINC000063527700	209125380	/nfs/dbraw/zinc/12/53/80/209125380.db2.gz	AWVHDRAHUWBPBH-QHCPKHFHSA-N	2	0	385.552	2.612	40	0		GFABRP
Cc1nccn1CC1(O)CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000019287950	207113894	/nfs/dbraw/zinc/11/38/94/207113894.db2.gz	XQCFVWHLALSNEB-UHFFFAOYSA-N	2	0	382.552	2.931	40	0		GFABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)[nH+]1	ZINC000019698311	207148910	/nfs/dbraw/zinc/14/89/10/207148910.db2.gz	JGGMIRNUOUHQGK-OAQYLSRUSA-N	2	0	396.539	2.966	40	0		GFABRP
COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[C@@]2(COCC[N@@H+](C(C)C)C2)O1	ZINC000248156274	209029183	/nfs/dbraw/zinc/02/91/83/209029183.db2.gz	IQNBXMKHZHCZIZ-NFBKMPQASA-N	2	0	399.535	2.991	40	0		GFABRP
COc1c(C)cccc1C[N@@H+]1CC[C@H](c2nn(CC[NH+](C)C)c3nccnc23)C1	ZINC000072391696	222248544	/nfs/dbraw/zinc/24/85/44/222248544.db2.gz	NEYXBAIFEAIWHS-KRWDZBQOSA-N	2	0	394.523	2.694	40	0		GFABRP
O=C(Nc1ccc(C2=[NH+]CCCN2)cc1)Nc1ccc(C2=[NH+]CCCN2)cc1	ZINC000001691651	206390629	/nfs/dbraw/zinc/39/06/29/206390629.db2.gz	IGKMCFMQCNDZFV-UHFFFAOYSA-N	2	0	376.464	2.810	40	0		GFABRP
COc1cccc2cc(C[NH+]3CCC(c4nnc5n4CC[NH2+]CC5)CC3)oc21	ZINC000019709455	207151869	/nfs/dbraw/zinc/15/18/69/207151869.db2.gz	NHKQLMLBRODZKQ-UHFFFAOYSA-N	2	0	381.480	2.558	40	0		GFABRP
Fc1ccc(C[N@@H+]2C[C@H]3Cc4cnc(NCC[NH+]5CCCC5)nc4[C@@H]3C2)cc1	ZINC000306130607	209099621	/nfs/dbraw/zinc/09/96/21/209099621.db2.gz	JKUMCOQTDNWRFT-UYAOXDASSA-N	2	0	381.499	2.895	40	0		GFABRP
Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](C[C@H]2CCOC2)Cc2ccccc23)cn1	ZINC000096242586	211323128	/nfs/dbraw/zinc/32/31/28/211323128.db2.gz	GAYDPIXQLSFCSK-LJQANCHMSA-N	2	0	380.536	2.806	40	0		GFABRP
c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]CC5)C3)cc2)nc1	ZINC000019709365	210284703	/nfs/dbraw/zinc/28/47/03/210284703.db2.gz	JKCZQEUQQJZGMJ-HXUWFJFHSA-N	2	0	388.519	2.865	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218473882	553053766	/nfs/dbraw/zinc/05/37/66/553053766.db2.gz	KVUJHVCOAZYBNB-HOTGVXAUSA-N	2	0	385.316	2.837	40	0		GFABRP
COc1c2c(cc3c1[C@@H](Cc1cc(N)c4ccccc4[n+]1C)[N@H+](C)CC3)OCO2	ZINC000020112712	570941200	/nfs/dbraw/zinc/94/12/00/570941200.db2.gz	XEPPVVCGCAFDLT-LJQANCHMSA-O	2	0	392.479	2.756	40	0		GFABRP
CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]CC5)C3)ccc2O1	ZINC000019709239	210283101	/nfs/dbraw/zinc/28/31/01/210283101.db2.gz	FTULYDTWVCYYRC-KRWDZBQOSA-N	2	0	381.524	2.517	40	0		GFABRP
COc1cccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1OC	ZINC000019590720	210273865	/nfs/dbraw/zinc/27/38/65/210273865.db2.gz	WAHNQTYJALCZHE-UHFFFAOYSA-N	2	0	382.508	2.861	40	0		GFABRP
COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)c1OC	ZINC000019590476	210273184	/nfs/dbraw/zinc/27/31/84/210273184.db2.gz	NJRRSKNSKIPXSK-QGZVFWFLSA-N	2	0	382.508	2.861	40	0		GFABRP
COc1cc2c(c(-c3c(O)c(OC)cc4c3C[N@H+](C)CC4)c1O)C[NH+](C)CC2	ZINC000001719347	209337489	/nfs/dbraw/zinc/33/74/89/209337489.db2.gz	IGKVQCQCYJDVAM-UHFFFAOYSA-N	2	0	384.476	2.758	40	0		GFABRP
COc1cc2c(cc1C[N@H+]1CCc3nnc([C@H]4CCCC[NH2+]4)n3CC1)CCC2	ZINC000072372827	211103574	/nfs/dbraw/zinc/10/35/74/211103574.db2.gz	CPDXJQCAHUAOFK-LJQANCHMSA-N	2	0	381.524	2.648	40	0		GFABRP
CN(Cc1ccccc1)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH+](Cc3ccoc3)CC2)O1	ZINC000306144533	212054682	/nfs/dbraw/zinc/05/46/82/212054682.db2.gz	ZICHJTOGLCTLCG-NRFANRHFSA-N	2	0	397.519	2.603	40	0		GFABRP
Fc1ccc(C[N@@H+]2C[C@@H]3Cc4cnc(NCC[NH+]5CCCC5)nc4[C@@H]3C2)cc1	ZINC000306130604	212047005	/nfs/dbraw/zinc/04/70/05/212047005.db2.gz	JKUMCOQTDNWRFT-AZUAARDMSA-N	2	0	381.499	2.895	40	0		GFABRP
Cc1noc(C)c1C[N@@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1	ZINC000096242424	211322890	/nfs/dbraw/zinc/32/28/90/211322890.db2.gz	RSCRKKKPVRAXSC-UHFFFAOYSA-N	2	0	396.535	2.729	40	0		GFABRP
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218502861	553053887	/nfs/dbraw/zinc/05/38/87/553053887.db2.gz	KAYIDUZEWTVDAI-MSOLQXFVSA-N	2	0	378.925	2.746	40	0		GFABRP
C[NH+]1CCN(CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1	ZINC000022926491	570336133	/nfs/dbraw/zinc/33/61/33/570336133.db2.gz	XAVACSPPZPMQFP-LIMIJEPZSA-N	2	0	389.559	2.914	40	0		GFABRP
CCN(CC)C(=O)C[NH+]1CCC(c2cc(Nc3ncccn3)cc(C)[nH+]2)CC1	ZINC000257310994	212021870	/nfs/dbraw/zinc/02/18/70/212021870.db2.gz	UHLVJRPAHTUZAC-UHFFFAOYSA-N	2	0	382.512	2.971	40	0		GFABRP
Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](C[C@@H]2CCOC2)Cc2ccccc23)cn1	ZINC000096242585	211322439	/nfs/dbraw/zinc/32/24/39/211322439.db2.gz	GAYDPIXQLSFCSK-IBGZPJMESA-N	2	0	380.536	2.806	40	0		GFABRP
CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2	ZINC000096055938	211298407	/nfs/dbraw/zinc/29/84/07/211298407.db2.gz	YZFSTEANZWLOHX-RXVVDRJESA-N	2	0	393.597	2.695	40	0		GFABRP
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218503084	553053729	/nfs/dbraw/zinc/05/37/29/553053729.db2.gz	KAYIDUZEWTVDAI-ZWKOTPCHSA-N	2	0	378.925	2.746	40	0		GFABRP
[NH3+]CCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3C[NH2+]CC[C@@H]32)cc1	ZINC000257307891	570779419	/nfs/dbraw/zinc/77/94/19/570779419.db2.gz	TUNRFPITBZEIOI-FKBYEOEOSA-N	2	0	379.504	2.632	40	0		GFABRP
COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1C[NH+](C)C	ZINC000019583402	571014155	/nfs/dbraw/zinc/01/41/55/571014155.db2.gz	CCMXXNQSHNQRIP-GOSISDBHSA-N	2	0	396.535	2.639	40	0		GFABRP
COc1ccc(C[NH+]2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@H+](C)C[C@@H]34)CC2)cc1	ZINC000096036287	222372535	/nfs/dbraw/zinc/37/25/35/222372535.db2.gz	ALVDPHUFJVGMLV-NZQKXSOJSA-N	2	0	385.552	2.707	40	0		GFABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCCN2C(=O)COc2ccccc2)[nH+]1	ZINC000019698141	571030401	/nfs/dbraw/zinc/03/04/01/571030401.db2.gz	KFXGIKBBWFMJAO-QFIPXVFZSA-N	2	0	394.519	2.884	40	0		GFABRP
C[NH+](C)CCN1CCC[C@]2(C[N@H+](CC3CCCC3)C[C@@H]2c2cccnc2)C1=O	ZINC000306126554	570937295	/nfs/dbraw/zinc/93/72/95/570937295.db2.gz	DYXZHMBAGQZHLE-FYYLOGMGSA-N	2	0	384.568	2.841	40	0		GFABRP
[NH3+]CC1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218472540	553053990	/nfs/dbraw/zinc/05/39/90/553053990.db2.gz	CFXYNICRUQHKIL-HOTGVXAUSA-N	2	0	385.316	2.837	40	0		GFABRP
O=c1cc(CCc2cccc(Cl)c2)[nH]c2c(C[NH2+]CC3CC[NH2+]CC3)cnn21	ZINC000257239660	570767792	/nfs/dbraw/zinc/76/77/92/570767792.db2.gz	HQHBWLLEFAKFTL-UHFFFAOYSA-N	2	0	399.926	2.963	40	0		GFABRP
Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH+](Cc4ccco4)CC3)O2)cc1	ZINC000306134607	570941587	/nfs/dbraw/zinc/94/15/87/570941587.db2.gz	NTMLDRYZCPOYEA-NRFANRHFSA-N	2	0	397.519	2.570	40	0		GFABRP
CC(=O)N1CCO[C@@]2(CCC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1	ZINC000063527701	222067692	/nfs/dbraw/zinc/06/76/92/222067692.db2.gz	AWVHDRAHUWBPBH-HSZRJFAPSA-N	2	0	385.552	2.612	40	0		GFABRP
CN1CC[NH+](CC(C)(C)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)CC1	ZINC000023247765	570392308	/nfs/dbraw/zinc/39/23/08/570392308.db2.gz	IBJAIWTUDTZJGL-GOTSBHOMSA-N	2	0	384.612	2.651	40	0		GFABRP
COc1ccc2[nH]cc(C[NH2+]C[C@H]3CC[C@@]4(COCC[N@@H+](C(C)C)C4)O3)c2c1	ZINC000248140707	570720982	/nfs/dbraw/zinc/72/09/82/570720982.db2.gz	BXAIKWSMRRCSFV-DENIHFKCSA-N	2	0	387.524	2.925	40	0		GFABRP