smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(CCOc2cnc3c4c2cccc4C(=O)c2ccccc2-3)CCCC1	ZINC000071359407	717133017	/nfs/dbraw/zinc/13/30/17/717133017.db2.gz	AUHBAWMQACSNCQ-UHFFFAOYSA-N	1	0	359.449	4.065	1	5		FIBFRO
C[NH+](C)CCNC(=O)c1cccc2c3ccccc3c(-c3ccccc3)nc12	ZINC000001613478	204013834	/nfs/dbraw/zinc/01/38/34/204013834.db2.gz	UJCNJJOHMYCWBI-UHFFFAOYSA-N	1	0	369.468	4.346	1	5		FIBFRO
COc1cc2cc[n+]3c(cc(C)c4cc(OC)c(OC)cc43)c2cc1OC	ZINC000001619035	204014549	/nfs/dbraw/zinc/01/45/49/204014549.db2.gz	WTPOUALVYSCXFZ-UHFFFAOYSA-N	1	0	364.421	4.075	1	5		FIBFRO
CC[NH+](CC)CCn1nc2c3c1ccc(N)c3sc1cc(OC)ccc21	ZINC000029321887	204898080	/nfs/dbraw/zinc/89/80/80/204898080.db2.gz	OVJILHNZENTJLB-UHFFFAOYSA-N	1	0	368.506	4.337	1	5		FIBFRO
COc1ccc2c(c1)sc1c3ccccc3n(CCC[NH+](C)C)c1c2=O	ZINC000043074506	205099818	/nfs/dbraw/zinc/09/98/18/205099818.db2.gz	CFJBZDPJOGOEFW-UHFFFAOYSA-N	1	0	366.486	4.330	1	5		FIBFRO
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N+]4(C)O3)[C@@H]12	ZINC000028364439	717115887	/nfs/dbraw/zinc/11/58/87/717115887.db2.gz	WRWFIBSHOMVGDI-PVROWPTGSA-N	1	0	360.518	4.002	1	5		FIBFRO
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@@H]1N2C	ZINC000053229805	205191673	/nfs/dbraw/zinc/19/16/73/205191673.db2.gz	XHZNIFLABLRQGZ-UNMCSNQZSA-O	1	0	366.485	4.120	1	5		FIBFRO
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1	ZINC000034804429	717124522	/nfs/dbraw/zinc/12/45/22/717124522.db2.gz	WRGXLYXHBSPUAR-UHFFFAOYSA-O	1	0	373.904	4.348	1	5		FIBFRO
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N@@+]4(C)O3)[C@@H]12	ZINC000261183691	717179539	/nfs/dbraw/zinc/17/95/39/717179539.db2.gz	WRWFIBSHOMVGDI-JFTNEZBGSA-N	1	0	360.518	4.002	1	5		FIBFRO
COc1ccc2c3cc4[n+](cc3c3cc(OC)c(OC)cc3c2c1)CCC4	ZINC000013360260	204528157	/nfs/dbraw/zinc/52/81/57/204528157.db2.gz	ZXSRAKAUOUQSGT-UHFFFAOYSA-N	1	0	360.433	4.406	1	5	biogenic,in-vitro	FIBFRO
COc1cc2ccc3c4ccc(OC)c(OC)c4c[n+](C)c3c2cc1OC	ZINC000095560139	205788784	/nfs/dbraw/zinc/78/87/84/205788784.db2.gz	YUPYPZXJIBYGKC-UHFFFAOYSA-N	1	0	364.421	4.005	1	5		FIBFRO
CC[N+](C)(CC)CCC[C@H](N=O)C(O)(c1ccccc1)c1ccccc1	ZINC000169689848	717156777	/nfs/dbraw/zinc/15/67/77/717156777.db2.gz	DXPNNUDKHWTZHL-NRFANRHFSA-N	1	0	355.502	4.324	1	5		FIBFRO
C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000045189298	205117397	/nfs/dbraw/zinc/11/73/97/205117397.db2.gz	OXKRXEQJZWIODF-UHFFFAOYSA-N	1	0	367.371	4.182	1	5		FIBFRO
COc1cc2c3cc(F)ccc3c3c(c2cc1OC)C[N@H+]1CCC[C@H]1[C@H]3O	ZINC000066259227	205366258	/nfs/dbraw/zinc/36/62/58/205366258.db2.gz	KWEFUARKIHCTFT-PGRDOPGGSA-N	1	0	367.420	4.161	1	5		FIBFRO
C[N+](C)(CCCCOc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])o1	ZINC000169318420	717155505	/nfs/dbraw/zinc/15/55/05/717155505.db2.gz	NRBCMBTWCSLIKH-UHFFFAOYSA-N	1	0	353.826	4.277	1	5		FIBFRO
CC[NH+](CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)nc21	ZINC000001763696	204018179	/nfs/dbraw/zinc/01/81/79/204018179.db2.gz	LXVKVNMUGPSBSD-UHFFFAOYSA-N	1	0	358.873	4.199	1	5		FIBFRO
C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3c(c2)OCO3)CC1	ZINC000013817969	717110182	/nfs/dbraw/zinc/11/01/82/717110182.db2.gz	MGRJGBMUVSCADJ-UHFFFAOYSA-N	1	0	366.481	4.435	1	5		FIBFRO
Cc1cc2oc3ccc(NCC[C@H]4CCC[N@H+]4C)cc3c(=O)c2cc1C	ZINC000012476706	207383327	/nfs/dbraw/zinc/38/33/27/207383327.db2.gz	PTGLKKAYOKIELG-QGZVFWFLSA-N	1	0	350.462	4.459	3	5		FIBFRO
COc1ccc2c(c1)sc1c2c2ccccc2n(CCC[NH+](C)C)c1=O	ZINC000027519194	207930974	/nfs/dbraw/zinc/93/09/74/207930974.db2.gz	SABOJOLILJGHDI-UHFFFAOYSA-N	1	0	366.486	4.330	1	5		FIBFRO
CC[N+](C)(CC)CCOc1cnc2c3c1cccc3C(=O)c1ccccc1-2	ZINC000071341650	208762620	/nfs/dbraw/zinc/76/26/20/208762620.db2.gz	ABMHYDLGKOCRPF-UHFFFAOYSA-N	1	0	361.465	4.311	1	5		FIBFRO
CCC[NH+]1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1	ZINC000095579150	209082749	/nfs/dbraw/zinc/08/27/49/209082749.db2.gz	JBPBJYKHTQKMKP-UHFFFAOYSA-N	1	0	353.441	4.423	1	5		FIBFRO
Cn1c2nc3ccccc3c-2c(N2CC[NH+](C)CC2)c2cc(Cl)ccc21	ZINC000101606441	536417736	/nfs/dbraw/zinc/41/77/36/536417736.db2.gz	UKLIAZOWIGAZCH-UHFFFAOYSA-N	1	0	364.880	4.237	1	5		FIBFRO
C[NH+]1CCN(c2c3c4ccccc4[nH]c3nc3ccc(Cl)cc32)CC1	ZINC000040979327	536417887	/nfs/dbraw/zinc/41/78/87/536417887.db2.gz	BODCYYPAWVCMPI-UHFFFAOYSA-N	1	0	350.853	4.275	1	5		FIBFRO
CCCCCCOc1ccc(C(=O)OCCCC[N+](C)(C)C)cc1OC	ZINC000013741637	207483733	/nfs/dbraw/zinc/48/37/33/207483733.db2.gz	PGXHNDSAAMHSBC-UHFFFAOYSA-N	1	0	366.522	4.298	1	5		FIBFRO
Cc1cc(=O)oc2cc(OCCC[NH+](C)C)c3c4ccccc4oc3c12	ZINC000040566890	208257688	/nfs/dbraw/zinc/25/76/88/208257688.db2.gz	AVEURCNPMXFXGN-UHFFFAOYSA-N	1	0	351.402	4.331	1	5		FIBFRO
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)N(Cc1ccoc1)c1ccccc1)C2	ZINC000028825413	717116239	/nfs/dbraw/zinc/11/62/39/717116239.db2.gz	MMJNDRSEERCWAQ-YOFSQIOKSA-N	1	0	355.458	4.193	1	5		FIBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2	ZINC000101151985	717144550	/nfs/dbraw/zinc/14/45/50/717144550.db2.gz	MMJNDRSEERCWAQ-ACDBMABISA-N	1	0	355.458	4.193	1	5		FIBFRO
CC[N+](C)(CC)CCCCOc1cc(O)c2c(c1)oc1ccccc1c2=O	ZINC000299830771	717181209	/nfs/dbraw/zinc/18/12/09/717181209.db2.gz	OPNXXZYFQIWXMD-UHFFFAOYSA-O	1	0	370.469	4.297	1	5		FIBFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2	ZINC000103270939	209251357	/nfs/dbraw/zinc/25/13/57/209251357.db2.gz	ZLENGVWEOQMCOO-BQJUDKOJSA-N	1	0	352.434	4.326	1	5		FIBFRO
O=[N+]([O-])c1ccc(C2CN(c3ccccc3)[C@@H](c3ccccc3)[N+]2=O)cc1	ZINC000101119562	209221702	/nfs/dbraw/zinc/22/17/02/209221702.db2.gz	YEUOXRJXMXGEDP-OAQYLSRUSA-N	1	0	359.385	4.113	1	5		FIBFRO
C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1	ZINC000034804402	208111481	/nfs/dbraw/zinc/11/14/81/208111481.db2.gz	FQNQWASQZFDMLL-UHFFFAOYSA-O	1	0	373.904	4.348	1	5		FIBFRO
COc1ccc2c(c1)c1c(ccc3cc[n+](CCN4CCCCC4)cc13)n2C	ZINC000005161530	207085021	/nfs/dbraw/zinc/08/50/21/207085021.db2.gz	FMKATJJXYCYEMZ-UHFFFAOYSA-N	1	0	374.508	4.267	1	5		FIBFRO
COc1ccc(/C=C/c2cc(OC)c(OC)cc2CC[N+](C)(C)C)cc1	ZINC000000820000	717087825	/nfs/dbraw/zinc/08/78/25/717087825.db2.gz	LPWOWWGQXXVYJQ-JXMROGBWSA-N	1	0	356.486	4.132	1	5	aggregator	FIBFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2	ZINC000103270919	209250929	/nfs/dbraw/zinc/25/09/29/209250929.db2.gz	VNKSUONYUGXCCC-ZSXPUABSSA-N	1	0	352.434	4.326	1	5		FIBFRO
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(C[NH+]3CCCCC3)ccc12	ZINC000103216547	209248431	/nfs/dbraw/zinc/24/84/31/209248431.db2.gz	DNIQPENKUNNCIY-UHFFFAOYSA-N	1	0	364.401	4.354	1	5		FIBFRO
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc(C[NH+]3CCCCC3)cc12	ZINC000103169920	209246393	/nfs/dbraw/zinc/24/63/93/209246393.db2.gz	NRHSJEKAUDZBRE-UHFFFAOYSA-N	1	0	364.401	4.354	1	5		FIBFRO
Cc1cc2oc3ccc(NCC[C@@H]4CCC[N@H+]4C)cc3c(=O)c2cc1C	ZINC000012476712	207383482	/nfs/dbraw/zinc/38/34/82/207383482.db2.gz	PTGLKKAYOKIELG-KRWDZBQOSA-N	1	0	350.462	4.459	3	5		FIBFRO
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N+]4(C)O3)[C@@H]12	ZINC000028364445	207962222	/nfs/dbraw/zinc/96/22/22/207962222.db2.gz	WRWFIBSHOMVGDI-CWEXWLPTSA-N	1	0	360.518	4.002	1	5		FIBFRO
C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2	ZINC000071335106	717133179	/nfs/dbraw/zinc/13/31/79/717133179.db2.gz	XJQLVERVBPRFET-UEUGHCDMSA-N	1	0	357.499	4.130	1	5		FIBFRO
C[NH+](C)CCCC(=O)Nc1ccc2cc3ccccc3cc2c1[N+](=O)[O-]	ZINC000028713841	211495600	/nfs/dbraw/zinc/49/56/00/211495600.db2.gz	DBEYQSQVNULOGT-UHFFFAOYSA-N	1	0	351.406	4.182	1	5		FIBFRO
CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1	ZINC000001622707	210362820	/nfs/dbraw/zinc/36/28/20/210362820.db2.gz	MHMFWOSPZFKWRO-UHFFFAOYSA-O	1	0	363.437	4.298	1	5		FIBFRO
CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(C3=CC[NH2+]CC3)ccc12	ZINC000072178277	221449659	/nfs/dbraw/zinc/44/96/59/221449659.db2.gz	PZHRDVMZPZZFGN-UHFFFAOYSA-N	1	0	366.446	4.032	1	5		FIBFRO
C[N+](C)(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C1CCOCC1	ZINC000040602465	717127515	/nfs/dbraw/zinc/12/75/15/717127515.db2.gz	YMOCOYGVVKIARV-UHFFFAOYSA-O	1	0	373.904	4.348	1	5		FIBFRO
C[N@+]1(CCc2ccccc2)[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccccc1)C2	ZINC000254136514	717170292	/nfs/dbraw/zinc/17/02/92/717170292.db2.gz	SKNRIMBFFBIGKY-KULFHQPUSA-N	1	0	350.482	4.226	1	5		FIBFRO
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N@@+]4(C)O3)[C@@H]12	ZINC000261183689	717179419	/nfs/dbraw/zinc/17/94/19/717179419.db2.gz	WRWFIBSHOMVGDI-GQSOSMBKSA-N	1	0	360.518	4.002	1	5		FIBFRO
C[NH+](C)CCCNc1nc2c3ccncc3ccc2c2cc3c(cc21)OCO3	ZINC000071280942	221338419	/nfs/dbraw/zinc/33/84/19/221338419.db2.gz	BFAKZCPPNZRBDZ-UHFFFAOYSA-N	1	0	374.444	4.029	1	5		FIBFRO
C[N+](C)(CCCCOc1ccccc1Cl)Cc1ccc([N+](=O)[O-])o1	ZINC000169318419	717155361	/nfs/dbraw/zinc/15/53/61/717155361.db2.gz	HVVNKSIZQOZCGB-UHFFFAOYSA-N	1	0	353.826	4.277	1	5		FIBFRO
C[N@@+]1(CCc2ccccc2)[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccccc1)C2	ZINC000254136511	717170181	/nfs/dbraw/zinc/17/01/81/717170181.db2.gz	SKNRIMBFFBIGKY-IJYNEAPUSA-N	1	0	350.482	4.226	1	5		FIBFRO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1	ZINC000013740356	211056116	/nfs/dbraw/zinc/05/61/16/211056116.db2.gz	PHISTALAMDWUTJ-OREJSRFESA-N	1	0	352.434	4.025	1	5		FIBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(CO)(c1ccccc1)c1ccccc1)C2	ZINC000103227252	222326729	/nfs/dbraw/zinc/32/67/29/222326729.db2.gz	FOJQLTRBJHZZKU-QYEXWFEISA-N	1	0	350.526	4.373	1	5		FIBFRO
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@H]4CCC(C)(C)[N@+]4(C)O3)[C@@H]12	ZINC000261183692	717179608	/nfs/dbraw/zinc/17/96/08/717179608.db2.gz	WRWFIBSHOMVGDI-RGCPVBDMSA-N	1	0	360.518	4.002	1	5		FIBFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2	ZINC000100834185	222254556	/nfs/dbraw/zinc/25/45/56/222254556.db2.gz	ZLENGVWEOQMCOO-IVAOSVALSA-N	1	0	352.434	4.326	1	5		FIBFRO
Cc1cnc2c(NCC[NH+]3CCCCC3)nc3cc4ccccc4cc3n12	ZINC000000594520	210250336	/nfs/dbraw/zinc/25/03/36/210250336.db2.gz	KFIFSKNSIUVOCG-UHFFFAOYSA-N	1	0	359.477	4.242	1	5		FIBFRO
CC[N+](CC)(CC)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12	ZINC000001633593	210363881	/nfs/dbraw/zinc/36/38/81/210363881.db2.gz	MNEVBSHWBAIVNQ-UHFFFAOYSA-N	1	0	371.526	4.255	1	5		FIBFRO
O=[N+]([O-])c1ccc(C2CN(C3CCCCC3)[C@@H](c3ccccc3)[N+]2=O)cc1	ZINC000101112439	222262192	/nfs/dbraw/zinc/26/21/92/222262192.db2.gz	MZDRZLOCCBWCFP-OAQYLSRUSA-N	1	0	365.433	4.241	1	5		FIBFRO
CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C(C)(C)O2	ZINC000040719151	717127254	/nfs/dbraw/zinc/12/72/54/717127254.db2.gz	DJCLFSWUQUSJQA-UHFFFAOYSA-N	1	0	374.286	4.294	1	5		FIBFRO
Cc1coc2c1cc1c3ccccc3c(=O)oc1c2OCCC[NH+](C)C	ZINC000003817192	210493919	/nfs/dbraw/zinc/49/39/19/210493919.db2.gz	KPVKSBIMNGFRKI-UHFFFAOYSA-N	1	0	351.402	4.331	1	5		FIBFRO
C[NH+](C)CCCNC(=O)c1cc2c3ccccc3sc2c2cccnc12	ZINC000096921323	222139750	/nfs/dbraw/zinc/13/97/50/222139750.db2.gz	BVNHHOKJLFLSLG-UHFFFAOYSA-N	1	0	363.486	4.284	1	5		FIBFRO
Cc1cc2oc3cc(NCC[C@@H]4CCC[N@H+]4C)ccc3c(=O)c2cc1C	ZINC000101963035	222287289	/nfs/dbraw/zinc/28/72/89/222287289.db2.gz	SIDMMKXHVPHVOG-KRWDZBQOSA-N	1	0	350.462	4.459	3	5		FIBFRO
C[N@H+]1CC=C(c2cn(-c3ccc(F)cc3)c3ccc([N+](=O)[O-])cc23)CC1	ZINC000013452426	220068949	/nfs/dbraw/zinc/06/89/49/220068949.db2.gz	XMEYKENMGPBBQT-UHFFFAOYSA-N	1	0	351.381	4.397	1	5		FIBFRO
CCOc1c(OC)ccc2c3ccc4c5c(cc6c4c3[n+](cc21)CC6)OCO5	ZINC000096937404	222143696	/nfs/dbraw/zinc/14/36/96/222143696.db2.gz	NWKWWVGKXCLSCZ-UHFFFAOYSA-N	1	0	374.416	4.126	1	5		FIBFRO
NC(=[NH2+])c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1	ZINC000026171952	581097329	/nfs/dbraw/zinc/09/73/29/581097329.db2.gz	LIQBSSKISKBOEY-UHFFFAOYSA-N	1	0	355.397	4.235	1	5		FIBFRO
Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1	ZINC000034804419	717124816	/nfs/dbraw/zinc/12/48/16/717124816.db2.gz	BUKLMMKMMNKNMN-UHFFFAOYSA-O	1	0	353.486	4.003	1	5		FIBFRO
C[N+]1(C)[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000013800801	220095884	/nfs/dbraw/zinc/09/58/84/220095884.db2.gz	PMRBOYKMMQCEQZ-BDTNDASRSA-N	1	0	352.498	4.381	1	5		FIBFRO
CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2c(cccc2OC)C1	ZINC000026277457	220508412	/nfs/dbraw/zinc/50/84/12/220508412.db2.gz	OQFVFESDHDATCZ-LJQANCHMSA-N	1	0	354.450	4.373	1	5		FIBFRO
C[N+](C)(CCOc1ccc(Cl)cc1Cl)Cc1ccc([N+](=O)[O-])o1	ZINC000059721761	717131899	/nfs/dbraw/zinc/13/18/99/717131899.db2.gz	DUTLLMRQQHRYFO-UHFFFAOYSA-N	1	0	360.217	4.150	1	5		FIBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2	ZINC000101151982	717144561	/nfs/dbraw/zinc/14/45/61/717144561.db2.gz	MMJNDRSEERCWAQ-PMOLBWCYSA-N	1	0	355.458	4.193	1	5		FIBFRO
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3C[C@@H]4CCC(C)(C)[N@+]4(C)O3)[C@@H]12	ZINC000261183690	717179410	/nfs/dbraw/zinc/17/94/10/717179410.db2.gz	WRWFIBSHOMVGDI-IBYAEYGWSA-N	1	0	360.518	4.002	1	5		FIBFRO
C[NH+](C)CCCNc1nc2c3ccc(O)cc3ccc2c2ccc(O)cc21	ZINC000013600446	220078579	/nfs/dbraw/zinc/07/85/79/220078579.db2.gz	XMTVDHJPOGYFDR-UHFFFAOYSA-N	1	0	361.445	4.316	1	5		FIBFRO
C[N+]1(CCc2ccccc2)[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccccc1)C2	ZINC000101644944	222279407	/nfs/dbraw/zinc/27/94/07/222279407.db2.gz	SKNRIMBFFBIGKY-SZJSPXDBSA-N	1	0	350.482	4.226	1	5		FIBFRO
Cc1cc(=O)oc2cc3oc4ccccc4c3c(OCCC[NH+](C)C)c12	ZINC000027518565	220534135	/nfs/dbraw/zinc/53/41/35/220534135.db2.gz	ORHBUKGZSVMTJC-UHFFFAOYSA-N	1	0	351.402	4.331	1	5		FIBFRO
Cc1cc(=O)oc2c1cc1c3ccccc3oc1c2OCCC[NH+](C)C	ZINC000027517341	220534799	/nfs/dbraw/zinc/53/47/99/220534799.db2.gz	TVTHZBRRXCYBQF-UHFFFAOYSA-N	1	0	351.402	4.331	1	5		FIBFRO
CC[N+](C)(CC)CCC[C@@H](N=O)C(O)(c1ccccc1)c1ccccc1	ZINC000169689847	717156806	/nfs/dbraw/zinc/15/68/06/717156806.db2.gz	DXPNNUDKHWTZHL-OAQYLSRUSA-N	1	0	355.502	4.324	1	5		FIBFRO
C[NH+](C)CCCNc1nc2c3cccnc3ccc2c2cc3c(cc21)OCO3	ZINC000071294405	221340701	/nfs/dbraw/zinc/34/07/01/221340701.db2.gz	ZSAVEMRPPKLIIL-UHFFFAOYSA-N	1	0	374.444	4.029	1	5		FIBFRO
O=c1c2ccc(O)cc2oc2cc(OCCC[NH2+]C3CCCCC3)ccc12	ZINC000071317342	221341702	/nfs/dbraw/zinc/34/17/02/221341702.db2.gz	STODZTWLSUOBSX-UHFFFAOYSA-N	1	0	367.445	4.343	1	5		FIBFRO
CC[NH+](CC)CCNc1ccc(C)c2sc3cc(O)ccc3c(=O)c12	ZINC000101248993	222266131	/nfs/dbraw/zinc/26/61/31/222266131.db2.gz	QGFRRFQWERJXRI-UHFFFAOYSA-N	1	0	356.491	4.182	1	5		FIBFRO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1cc3[n+](cc21)CCC3	ZINC000013360266	220066114	/nfs/dbraw/zinc/06/61/14/220066114.db2.gz	SLUPUHLVPJEPNB-UHFFFAOYSA-N	1	0	360.433	4.406	1	5		FIBFRO
C[N+]1(CCOc2cnc3c4c2cccc4C(=O)c2ccccc2-3)CCCCC1	ZINC000071331654	221343420	/nfs/dbraw/zinc/34/34/20/221343420.db2.gz	ZTTKISAGSBXNKQ-UHFFFAOYSA-N	1	0	373.476	4.456	1	5		FIBFRO
C[N+]1(Cc2ccccc2)CCN(c2nc3ccsc3n3cccc23)CC1	ZINC000013755948	717109253	/nfs/dbraw/zinc/10/92/53/717109253.db2.gz	CHXZPUOMGXBHFG-UHFFFAOYSA-N	1	0	363.510	4.016	1	5		FIBFRO
CC/[NH+]=c1/cc2oc3cc(NCCCO)c4ccccc4c3nc-2cc1C	ZINC000029057628	220592837	/nfs/dbraw/zinc/59/28/37/220592837.db2.gz	GNVAOGVKNUFIGB-QJOMJCCJSA-N	1	0	361.445	4.109	1	5		FIBFRO
CC(CO)(CO)[NH2+]Cc1cc2ccc3ccsc3c2c2ccccc12	ZINC000034462387	220756074	/nfs/dbraw/zinc/75/60/74/220756074.db2.gz	HXRBCPSLLGWHBA-UHFFFAOYSA-N	1	0	351.471	4.041	1	5		FIBFRO
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@H]1N2C	ZINC000053229806	221043079	/nfs/dbraw/zinc/04/30/79/221043079.db2.gz	XHZNIFLABLRQGZ-IRLDBZIGSA-O	1	0	366.485	4.120	1	5		FIBFRO
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1c3ccccc3Oc3ccccc31)C2	ZINC000100368273	222242331	/nfs/dbraw/zinc/24/23/31/222242331.db2.gz	KBVFFWSKLQHNSS-FVQHAEBGSA-N	1	0	364.465	4.237	1	5	in-man	FIBFRO
C[NH+](C)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1	ZINC000049807531	221028213	/nfs/dbraw/zinc/02/82/13/221028213.db2.gz	LHUKMJPFBJVDEA-UHFFFAOYSA-N	1	0	374.444	4.029	1	5		FIBFRO
COc1cc2c3cc(F)ccc3c3c(c2cc1OC)C[N@H+]1CCC[C@@H]1[C@@H]3O	ZINC000066252023	221242498	/nfs/dbraw/zinc/24/24/98/221242498.db2.gz	KWEFUARKIHCTFT-GCJKJVERSA-N	1	0	367.420	4.161	1	5		FIBFRO
C[N+]1(CCCCOc2cc(O)c3c(c2)oc2ccccc2c3=O)CCCC1	ZINC000299833484	717181294	/nfs/dbraw/zinc/18/12/94/717181294.db2.gz	YFPKBCZIHPCYDC-UHFFFAOYSA-O	1	0	368.453	4.051	1	5		FIBFRO