smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)[C@H]3OC)OCCCO2	ZINC000217011663	241229939	/nfs/dbraw/zinc/22/99/39/241229939.db2.gz	YNDDUVYLAAEQJQ-BDQBCWGISA-N	1	0	333.428	2.713	50	70		EFIARO
Cc1ccc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c(F)c1	ZINC000217989152	241290272	/nfs/dbraw/zinc/29/02/72/241290272.db2.gz	NHMQNTAWZQOKDH-MRXNPFEDSA-N	1	0	334.435	2.851	50	70		EFIARO
O=C(c1cc2sccc2[nH]1)N1CCCO[C@@H](C[NH+]2CCCC2)C1	ZINC000217083192	241235848	/nfs/dbraw/zinc/23/58/48/241235848.db2.gz	TZKCDQQGKPYUSN-ZDUSSCGKSA-N	1	0	333.457	2.556	50	70		EFIARO
O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1	ZINC000217197914	241240753	/nfs/dbraw/zinc/24/07/53/241240753.db2.gz	YVTVYCBDGRCZCB-SFHVURJKSA-N	1	0	341.455	2.885	50	70		EFIARO
Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)c2ccc(O)cc2)CC1	ZINC000218256968	241308349	/nfs/dbraw/zinc/30/83/49/241308349.db2.gz	HWSRUNYSXUHMSA-OAHLLOKOSA-N	1	0	325.412	2.548	50	70		EFIARO
O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2	ZINC000218641578	241336840	/nfs/dbraw/zinc/33/68/40/241336840.db2.gz	DLCMNLBXUDEFBL-HXUWFJFHSA-N	1	0	342.483	2.939	50	70		EFIARO
COc1ccc(C[N@@H+]2CCCn3nc(CO)cc3C2)c2ccccc12	ZINC000217426700	241249428	/nfs/dbraw/zinc/24/94/28/241249428.db2.gz	KXGNLDSPWYFEOF-UHFFFAOYSA-N	1	0	337.423	2.943	50	70		EFIARO
O[C@@H](c1cc2n(n1)CCC[N@H+](CCc1ccccn1)C2)c1ccccc1	ZINC000217905083	241282870	/nfs/dbraw/zinc/28/28/70/241282870.db2.gz	WUFYCTAWTVGDEP-OAQYLSRUSA-N	1	0	348.450	2.808	50	70		EFIARO
O=C(CCCCc1ccccc1)N1CCC(O)(C[NH+]2CCCC2)CC1	ZINC000218324464	241315403	/nfs/dbraw/zinc/31/54/03/241315403.db2.gz	QGHCZRBSAQCHSF-UHFFFAOYSA-N	1	0	344.499	2.849	50	70		EFIARO
O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2c(c1)CCCC2	ZINC000218641495	241337339	/nfs/dbraw/zinc/33/73/39/241337339.db2.gz	DLCMNLBXUDEFBL-FQEVSTJZSA-N	1	0	342.483	2.939	50	70		EFIARO
CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)n1cccn1	ZINC000218579778	535419177	/nfs/dbraw/zinc/41/91/77/535419177.db2.gz	ZRBGUJFEKMRYPS-SFHVURJKSA-N	1	0	326.444	2.746	50	70		EFIARO
FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4OCC[C@H]34)CC2)nc1	ZINC000217194515	241240535	/nfs/dbraw/zinc/24/05/35/241240535.db2.gz	YFCJJKCCWDDEQZ-KFWWJZLASA-N	1	0	341.377	2.836	50	70		EFIARO
Cc1nc2cc(CNC(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)ccc2[nH]1	ZINC000217368886	241246224	/nfs/dbraw/zinc/24/62/24/241246224.db2.gz	ZPAHDCZSKKJOSG-GOSISDBHSA-N	1	0	348.450	2.977	50	70		EFIARO
C[NH+](C)C1CCN(C(=O)CO[C@H](c2ccccc2)C(F)(F)F)CC1	ZINC000218516420	241328357	/nfs/dbraw/zinc/32/83/57/241328357.db2.gz	GWVWINWSAMRADO-MRXNPFEDSA-N	1	0	344.377	2.859	50	70		EFIARO
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1(c2ccccc2F)CC1	ZINC000218100858	241297963	/nfs/dbraw/zinc/29/79/63/241297963.db2.gz	CJIKUDNQHPOCQZ-UHFFFAOYSA-N	1	0	346.446	2.617	50	70		EFIARO
Cc1cc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc(C)[nH+]1	ZINC000218666020	241337207	/nfs/dbraw/zinc/33/72/07/241337207.db2.gz	XXLKRLOGNNACMD-UHFFFAOYSA-N	1	0	345.393	2.868	50	70		EFIARO
O=C(c1cc2sccc2[nH]1)N1CCCO[C@H](C[NH+]2CCCC2)C1	ZINC000217083205	241235375	/nfs/dbraw/zinc/23/53/75/241235375.db2.gz	TZKCDQQGKPYUSN-CYBMUJFWSA-N	1	0	333.457	2.556	50	70		EFIARO
O[C@H](c1cc2n(n1)CCC[N@H+](CCc1ccccn1)C2)c1ccccc1	ZINC000217905183	241283332	/nfs/dbraw/zinc/28/33/32/241283332.db2.gz	WUFYCTAWTVGDEP-NRFANRHFSA-N	1	0	348.450	2.808	50	70		EFIARO
Cc1ccccc1-c1cccc(C(=O)NCC[NH+]2CCC(O)CC2)c1	ZINC000218369209	241316875	/nfs/dbraw/zinc/31/68/75/241316875.db2.gz	YLBINIZEOHAWAC-UHFFFAOYSA-N	1	0	338.451	2.849	50	70		EFIARO
[NH3+]CC[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)cc2)CCO1	ZINC000218361037	241317041	/nfs/dbraw/zinc/31/70/41/241317041.db2.gz	XBBMXWUOYPHJSB-HXUWFJFHSA-N	1	0	338.451	2.862	50	70		EFIARO
CC(C)CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1	ZINC000217715335	534966203	/nfs/dbraw/zinc/96/62/03/534966203.db2.gz	ODADKPKOSPDBQD-MAUKXSAKSA-N	1	0	332.492	2.993	50	70	biogenic	EFIARO
Cc1cc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)on1	ZINC000217565091	241259397	/nfs/dbraw/zinc/25/93/97/241259397.db2.gz	UPNMKVSMNSWHOR-SFHVURJKSA-N	1	0	327.428	2.869	50	70		EFIARO
C[NH+](C)C1(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)CCOCC1	ZINC000218476167	241326728	/nfs/dbraw/zinc/32/67/28/241326728.db2.gz	ONYLKSBDWDMFSB-UHFFFAOYSA-N	1	0	335.835	2.662	50	70		EFIARO
O=C(CCc1cc(Cl)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217852726	241279505	/nfs/dbraw/zinc/27/95/05/241279505.db2.gz	NPMQPPQFHYFFTO-GXTWGEPZSA-N	1	0	325.840	2.641	50	70	biogenic	EFIARO
Cc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)c(F)c1	ZINC000217989074	241289325	/nfs/dbraw/zinc/28/93/25/241289325.db2.gz	NHMQNTAWZQOKDH-INIZCTEOSA-N	1	0	334.435	2.851	50	70		EFIARO
COC1CC[NH+](C2CCN(C(=O)CCc3ccccc3F)CC2)CC1	ZINC000217766721	474143616	/nfs/dbraw/zinc/14/36/16/474143616.db2.gz	OQEONKBIHJKLDG-UHFFFAOYSA-N	1	0	348.462	2.860	50	70		EFIARO
O=C(N1CCCO[C@H](C[NH+]2CCCCC2)C1)C1(c2ccccc2)CC1	ZINC000217843483	474143645	/nfs/dbraw/zinc/14/36/45/474143645.db2.gz	QKLBMRVCDKJEQN-LJQANCHMSA-N	1	0	342.483	2.822	50	70		EFIARO
CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C(C)C)nc(N)n1	ZINC000218127198	241299978	/nfs/dbraw/zinc/29/99/78/241299978.db2.gz	HBUWNSBCNAREJM-UHFFFAOYSA-N	1	0	333.480	2.520	50	70		EFIARO
Nc1nc(NCCOCc2ccc(Cl)cc2)cc(C2CC([NH3+])C2)n1	ZINC000218762974	241344410	/nfs/dbraw/zinc/34/44/10/241344410.db2.gz	FTKLCWIBAAVPPZ-UHFFFAOYSA-N	1	0	347.850	2.546	50	70		EFIARO
COC[C@@H]1[C@H]([NH2+]C2CCN(c3ccc(F)cc3C)CC2)[C@@H]2CCO[C@H]12	ZINC000218011593	274046406	/nfs/dbraw/zinc/04/64/06/274046406.db2.gz	MDJWSHPKXDEWEE-CUDHKJQZSA-N	1	0	348.462	2.742	50	70		EFIARO
C[C@H](O)c1cc2n(n1)CCCN(C1CC[NH+](C3CCCC3)CC1)C2	ZINC000216970299	474142731	/nfs/dbraw/zinc/14/27/31/474142731.db2.gz	MQJQCSGXEXBMRP-HNNXBMFYSA-N	1	0	332.492	2.549	50	70		EFIARO
CCCNc1ncc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1	ZINC000216917997	535206862	/nfs/dbraw/zinc/20/68/62/535206862.db2.gz	VCDBPLYCBCSKPG-GOSISDBHSA-N	1	0	325.460	2.787	50	70		EFIARO
CC(C)Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(C)n1	ZINC000217695788	535336289	/nfs/dbraw/zinc/33/62/89/535336289.db2.gz	NYWXNLZRXUUNNZ-DOTOQJQBSA-N	1	0	332.492	2.613	50	70	biogenic	EFIARO
CC[C@@H](NC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1ccnn1C	ZINC000218133455	535787388	/nfs/dbraw/zinc/78/73/88/535787388.db2.gz	KYYPCYVMLRRTAT-GOSISDBHSA-N	1	0	340.471	2.867	50	70		EFIARO
Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217804515	241275364	/nfs/dbraw/zinc/27/53/64/241275364.db2.gz	ZYEPWVLYWBBSHM-SFHVURJKSA-N	1	0	340.471	2.994	50	70		EFIARO
O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000218445979	241321462	/nfs/dbraw/zinc/32/14/62/241321462.db2.gz	OABOELXKDKXXNH-LLVKDONJSA-N	1	0	346.324	2.844	50	70		EFIARO
Cc1ccccc1C1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1	ZINC000218169852	241304737	/nfs/dbraw/zinc/30/47/37/241304737.db2.gz	NXYASNQLHIQYMQ-UHFFFAOYSA-N	1	0	337.471	2.956	50	70		EFIARO
CC1(C)CC(NC(=O)CCCCCNc2ncccn2)CC(C)(C)[NH2+]1	ZINC000218194500	241306678	/nfs/dbraw/zinc/30/66/78/241306678.db2.gz	RGNVITDISOWASJ-UHFFFAOYSA-N	1	0	347.507	2.874	50	70		EFIARO
C[NH+](C)C1CCN(C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)CC1	ZINC000218516347	241328186	/nfs/dbraw/zinc/32/81/86/241328186.db2.gz	GWVWINWSAMRADO-INIZCTEOSA-N	1	0	344.377	2.859	50	70		EFIARO
CCn1cc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)cn1	ZINC000217096920	536068154	/nfs/dbraw/zinc/06/81/54/536068154.db2.gz	QOHMAEUMNSRICR-UHFFFAOYSA-N	1	0	330.432	2.658	50	70		EFIARO
Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)n1	ZINC000217544691	241257533	/nfs/dbraw/zinc/25/75/33/241257533.db2.gz	MYKQAMMGPSUKLI-QWHZDKJVSA-N	1	0	329.419	2.831	50	70		EFIARO
Cc1noc(C)c1CCCNC(=O)C1CC[NH+](Cc2ccco2)CC1	ZINC000218014312	241292107	/nfs/dbraw/zinc/29/21/07/241292107.db2.gz	IJJYAYDFJKFODW-UHFFFAOYSA-N	1	0	345.443	2.845	50	70		EFIARO
CC[C@H](NC(=O)C[NH+]1CCC(c2ccccc2)CC1)c1ccnn1C	ZINC000218133528	241300448	/nfs/dbraw/zinc/30/04/48/241300448.db2.gz	KYYPCYVMLRRTAT-SFHVURJKSA-N	1	0	340.471	2.867	50	70		EFIARO
[NH3+]CC[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)cc2)CCO1	ZINC000218361113	241317458	/nfs/dbraw/zinc/31/74/58/241317458.db2.gz	XBBMXWUOYPHJSB-FQEVSTJZSA-N	1	0	338.451	2.862	50	70		EFIARO
C[C@@H](O)c1cc2n(n1)CCCN(C1CC[NH+](C3CCCC3)CC1)C2	ZINC000216970283	278407842	/nfs/dbraw/zinc/40/78/42/278407842.db2.gz	MQJQCSGXEXBMRP-OAHLLOKOSA-N	1	0	332.492	2.549	50	70		EFIARO
Cn1c(CN2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cc2cc(F)ccc21	ZINC000217573540	241261453	/nfs/dbraw/zinc/26/14/53/241261453.db2.gz	HCBLPAARALVTAV-SFHVURJKSA-N	1	0	345.462	2.596	50	70		EFIARO
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(-c3ccc(Cl)cc3)nc1)C2	ZINC000217072815	241236573	/nfs/dbraw/zinc/23/65/73/241236573.db2.gz	OERXMKIZYBBEKX-QLPKVWCKSA-N	1	0	329.831	3.000	50	70		EFIARO
Fc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@H]2OCC2CC2)CC1	ZINC000218285191	241311728	/nfs/dbraw/zinc/31/17/28/241311728.db2.gz	GDEUYYRWNWMHSL-UYAOXDASSA-N	1	0	348.462	2.968	50	70		EFIARO
Cc1nc(C2CC(O)C2)cc(N2CCC[N@@H+](C3CCCCC3)CC2)n1	ZINC000218686974	241339143	/nfs/dbraw/zinc/33/91/43/241339143.db2.gz	XTUZJIXXXQCVCE-UHFFFAOYSA-N	1	0	344.503	2.868	50	70		EFIARO
CC(C)Cn1cncc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000218339644	534920950	/nfs/dbraw/zinc/92/09/50/534920950.db2.gz	CFVVUXPJYHCVFA-IBGZPJMESA-N	1	0	340.471	2.820	50	70		EFIARO
CN(C)c1ccc(C[N@H+](C)CC2(N3CCOCC3)CCCCC2)cn1	ZINC000217126758	241236143	/nfs/dbraw/zinc/23/61/43/241236143.db2.gz	DQYPUQZMJKXQNS-UHFFFAOYSA-N	1	0	346.519	2.615	50	70		EFIARO
Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2O	ZINC000217212601	241240923	/nfs/dbraw/zinc/24/09/23/241240923.db2.gz	XKFYSVVTLLHVCR-QWHZDKJVSA-N	1	0	329.419	2.831	50	70		EFIARO
CCc1csc(CNC(=O)C2(c3ccccc3)CC[NH+](C)CC2)n1	ZINC000218607029	241335293	/nfs/dbraw/zinc/33/52/93/241335293.db2.gz	SLKCYAZLICPRBT-UHFFFAOYSA-N	1	0	343.496	2.985	50	70		EFIARO
O=C(N1CCCO[C@@H](C[NH+]2CCCCC2)C1)C1(c2ccccc2)CC1	ZINC000217843452	474143821	/nfs/dbraw/zinc/14/38/21/474143821.db2.gz	QKLBMRVCDKJEQN-IBGZPJMESA-N	1	0	342.483	2.822	50	70		EFIARO
CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(NCc3ccccc3)nc1)C2	ZINC000216991511	241230517	/nfs/dbraw/zinc/23/05/17/241230517.db2.gz	CGEYYFYZTCBWRF-BWTSREIZSA-N	1	0	338.455	2.946	50	70		EFIARO
C[NH+]1CCC(CNC(=O)C(=O)c2ccccc2)(c2ccccc2)CC1	ZINC000217178145	241239301	/nfs/dbraw/zinc/23/93/01/241239301.db2.gz	OWOIWKOXVRMIHL-UHFFFAOYSA-N	1	0	336.435	2.649	50	70		EFIARO
O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@H](C[NH+]2CCCCC2)C1	ZINC000217197923	241242434	/nfs/dbraw/zinc/24/24/34/241242434.db2.gz	YVTVYCBDGRCZCB-GOSISDBHSA-N	1	0	341.455	2.885	50	70		EFIARO
Cc1nc2cc(CNC(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)ccc2[nH]1	ZINC000217368965	241245712	/nfs/dbraw/zinc/24/57/12/241245712.db2.gz	ZPAHDCZSKKJOSG-SFHVURJKSA-N	1	0	348.450	2.977	50	70		EFIARO
CSc1ncc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cn1	ZINC000218533845	241330740	/nfs/dbraw/zinc/33/07/40/241330740.db2.gz	TUERBGVGSVZJIS-UHFFFAOYSA-N	1	0	342.468	2.724	50	70		EFIARO
Cc1ccc(SCCN(C)c2cc(C3CC(O)C3)[nH+]c(N)n2)cc1	ZINC000218302527	241312554	/nfs/dbraw/zinc/31/25/54/241312554.db2.gz	UQEVAYKXTMRCLQ-UHFFFAOYSA-N	1	0	344.484	2.834	50	70		EFIARO
Cc1cc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)on1	ZINC000217565159	241259752	/nfs/dbraw/zinc/25/97/52/241259752.db2.gz	UPNMKVSMNSWHOR-GOSISDBHSA-N	1	0	327.428	2.869	50	70		EFIARO
Cn1nc(C(C)(C)C)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217641933	241265415	/nfs/dbraw/zinc/26/54/15/241265415.db2.gz	YUYQDYJLDFVTOD-LSDHHAIUSA-N	1	0	332.492	2.712	50	70	biogenic	EFIARO
Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217804590	241275027	/nfs/dbraw/zinc/27/50/27/241275027.db2.gz	ZYEPWVLYWBBSHM-GOSISDBHSA-N	1	0	340.471	2.994	50	70		EFIARO
CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(OCCn3ccnc3)cc1)C2	ZINC000217134016	241236600	/nfs/dbraw/zinc/23/66/00/241236600.db2.gz	MLLINAUIUUUOTI-RUYXUALKSA-N	1	0	341.455	2.819	50	70		EFIARO
Cc1scc(C(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])c1-c1ccccc1	ZINC000218073899	241296651	/nfs/dbraw/zinc/29/66/51/241296651.db2.gz	SRTNVJYKPDGOSK-VJUNAUMWSA-N	1	0	328.437	2.568	50	70		EFIARO
CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)n1cccn1	ZINC000218579865	241333426	/nfs/dbraw/zinc/33/34/26/241333426.db2.gz	ZRBGUJFEKMRYPS-GOSISDBHSA-N	1	0	326.444	2.746	50	70		EFIARO
C[NH+](C)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21	ZINC000218027274	535833214	/nfs/dbraw/zinc/83/32/14/535833214.db2.gz	FGSGPJIGPLYILJ-GOSISDBHSA-N	1	0	335.407	2.753	50	70	biogenic	EFIARO
C[NH+](C)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21	ZINC000218027350	535833747	/nfs/dbraw/zinc/83/37/47/535833747.db2.gz	FGSGPJIGPLYILJ-SFHVURJKSA-N	1	0	335.407	2.753	50	70	biogenic	EFIARO
Cc1oncc1C(=O)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2	ZINC000216930048	241224907	/nfs/dbraw/zinc/22/49/07/241224907.db2.gz	MZFNPIVEMQLRTN-SJORKVTESA-N	1	0	325.412	2.720	50	70		EFIARO
[NH3+]C1CC(c2cc(NC3CCN(c4ccc(F)cc4)CC3)ncn2)C1	ZINC000218479210	241326456	/nfs/dbraw/zinc/32/64/56/241326456.db2.gz	LORKSRRYVBSBRN-UHFFFAOYSA-N	1	0	341.434	2.901	50	70		EFIARO
Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)c2ccc(O)cc2)CC1	ZINC000218256904	241308386	/nfs/dbraw/zinc/30/83/86/241308386.db2.gz	HWSRUNYSXUHMSA-HNNXBMFYSA-N	1	0	325.412	2.548	50	70		EFIARO
C[NH+]1CCC(O)(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1	ZINC000218739335	241341480	/nfs/dbraw/zinc/34/14/80/241341480.db2.gz	QBIPGSIDFDOXTQ-UHFFFAOYSA-N	1	0	342.414	2.679	50	70		EFIARO
O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000218446069	241322346	/nfs/dbraw/zinc/32/23/46/241322346.db2.gz	OABOELXKDKXXNH-NSHDSACASA-N	1	0	346.324	2.844	50	70		EFIARO
[NH3+]C1CC(c2cc(NCc3c[nH]nc3-c3cccs3)ncn2)C1	ZINC000218586710	241332893	/nfs/dbraw/zinc/33/28/93/241332893.db2.gz	NLYDCIWDOSYJBU-UHFFFAOYSA-N	1	0	326.429	2.745	50	70		EFIARO