smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@@H]4CC[C@@]23C[N@@H+]1C	ZINC000253595618	222994269	/nfs/dbraw/zinc/99/42/69/222994269.db2.gz	GPLGAQQQNWMVMM-BGSVRLAUSA-N	2	0	356.598	4.810	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1	ZINC000005347812	204204782	/nfs/dbraw/zinc/20/47/82/204204782.db2.gz	UICZBDAMKPGYLB-FGZHOGPDSA-N	2	0	360.586	4.687	50	0		FJAARP
c1ccc(COc2ccc3ccccc3c2C[NH2+]CC2CC[NH2+]CC2)cc1	ZINC000040719319	205076855	/nfs/dbraw/zinc/07/68/55/205076855.db2.gz	GCSHMDOZHRMBJY-UHFFFAOYSA-N	2	0	360.501	4.508	50	0		FJAARP
c1sc2ccccc2c1C[NH2+]CCC1CCN(c2cc[nH+]cc2)CC1	ZINC000095462170	132211241	/nfs/dbraw/zinc/21/12/41/132211241.db2.gz	ZJUUBNUXOIHUHD-UHFFFAOYSA-N	2	0	351.519	4.693	50	0		FJAARP
Cc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1	ZINC000011938022	570712330	/nfs/dbraw/zinc/71/23/30/570712330.db2.gz	LZCFONFWEFTIFL-UHFFFAOYSA-N	2	0	367.537	4.640	50	0		FJAARP
COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccco2)CC(C)C)CC1	ZINC000012431252	570744371	/nfs/dbraw/zinc/74/43/71/570744371.db2.gz	JWXDOQUQARXBEQ-UHFFFAOYSA-N	2	0	370.537	4.658	50	0		FJAARP
Cc1cc(C[NH+]2CC(c3ccccn3)C2)c(C)c(C[NH+]2CCC(C)CC2)c1	ZINC000252509133	571133729	/nfs/dbraw/zinc/13/37/29/571133729.db2.gz	YCWLPAGQGFHNMQ-UHFFFAOYSA-N	2	0	363.549	4.530	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1	ZINC000005347810	204204510	/nfs/dbraw/zinc/20/45/10/204204510.db2.gz	UICZBDAMKPGYLB-YADHBBJMSA-N	2	0	360.586	4.687	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12	ZINC000248155086	571128311	/nfs/dbraw/zinc/12/83/11/571128311.db2.gz	LOASHJONTZHXLE-UHFFFAOYSA-N	2	0	363.549	4.820	50	0		FJAARP
C[NH+](C)CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000008373841	570680755	/nfs/dbraw/zinc/68/07/55/570680755.db2.gz	QBXKFQCQBJJUAY-UHFFFAOYSA-N	2	0	367.320	4.614	50	0		FJAARP
C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CC[NH2+]CC2)cc1	ZINC000299790976	571200811	/nfs/dbraw/zinc/20/08/11/571200811.db2.gz	CDYCKVSWPKAGDX-UHFFFAOYSA-N	2	0	366.530	4.664	50	0		FJAARP
C[N@H+](Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cccc2ccccc21	ZINC000299789168	210031469	/nfs/dbraw/zinc/03/14/69/210031469.db2.gz	SCNBMAUNLVQAGL-UHFFFAOYSA-N	2	0	360.501	4.603	50	0		FJAARP
CC[N@@H+](Cc1ccsc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000020455932	521424618	/nfs/dbraw/zinc/42/46/18/521424618.db2.gz	GKDRDQFBAIXGIS-HXUWFJFHSA-N	2	0	372.578	4.533	50	0		FJAARP
c1sc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)cc1C[NH+]1CCCC1	ZINC000216412605	568122393	/nfs/dbraw/zinc/12/23/93/568122393.db2.gz	UTCIPNNLJABWOZ-NRFANRHFSA-N	2	0	369.578	4.726	50	0		FJAARP
Cc1cccc(COC(C[NH+]2CCCCCC2)C[NH+]2CCCCCC2)c1	ZINC000005619510	570632203	/nfs/dbraw/zinc/63/22/03/570632203.db2.gz	SXHDKVJAKHKVCT-UHFFFAOYSA-N	2	0	358.570	4.632	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1	ZINC000005347780	570649650	/nfs/dbraw/zinc/64/96/50/570649650.db2.gz	WIXKOACSCLQHFO-PKTZIBPZSA-N	2	0	374.613	4.995	50	0		FJAARP
Cc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)s1	ZINC000011878676	570710641	/nfs/dbraw/zinc/71/06/41/570710641.db2.gz	WWPYKJRLCGXRSZ-UHFFFAOYSA-N	2	0	360.542	4.582	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12	ZINC000248247692	571128814	/nfs/dbraw/zinc/12/88/14/571128814.db2.gz	KJWIRDNXXQQZHF-UHFFFAOYSA-N	2	0	367.512	4.650	50	0		FJAARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(Cl)s3)CC2)o1	ZINC000012709900	570757941	/nfs/dbraw/zinc/75/79/41/570757941.db2.gz	RCUAVRWAUSOUBZ-UHFFFAOYSA-N	2	0	352.931	4.647	50	0		FJAARP
COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCCC2)cc1	ZINC000089583109	571212643	/nfs/dbraw/zinc/21/26/43/571212643.db2.gz	ALPHARMACDSZBA-QHCPKHFHSA-N	2	0	361.489	4.801	50	0		FJAARP
COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCCC2)cc1	ZINC000089583113	571212729	/nfs/dbraw/zinc/21/27/29/571212729.db2.gz	ALPHARMACDSZBA-HSZRJFAPSA-N	2	0	361.489	4.801	50	0		FJAARP
c1sc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)cc1C[NH+]1CCCC1	ZINC000216412647	206359413	/nfs/dbraw/zinc/35/94/13/206359413.db2.gz	UTCIPNNLJABWOZ-OAQYLSRUSA-N	2	0	369.578	4.726	50	0		FJAARP
C[C@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C	ZINC000263583467	560036356	/nfs/dbraw/zinc/03/63/56/560036356.db2.gz	GPLGAQQQNWMVMM-IGUVAUFDSA-N	2	0	356.598	4.810	50	0	biogenic,in-vitro	FJAARP
C[NH+](C)CCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21	ZINC000008373819	570680689	/nfs/dbraw/zinc/68/06/89/570680689.db2.gz	XLHRQXRKGPITCX-UHFFFAOYSA-N	2	0	366.480	4.599	50	0		FJAARP
C[C@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@@H]4CC[C@@]23C[N@@H+]1C	ZINC000299804179	210043232	/nfs/dbraw/zinc/04/32/32/210043232.db2.gz	GPLGAQQQNWMVMM-XMGHBDAASA-N	2	0	356.598	4.810	50	0		FJAARP
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C	ZINC000004097188	204120481	/nfs/dbraw/zinc/12/04/81/204120481.db2.gz	GPLGAQQQNWMVMM-MYAJQUOBSA-N	2	0	356.598	4.810	50	0	biogenic,in-man	FJAARP
Oc1cccc(C2CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)c1	ZINC000216135768	206355256	/nfs/dbraw/zinc/35/52/56/206355256.db2.gz	JOXDGWOQNDDMOQ-UHFFFAOYSA-N	2	0	370.562	4.819	50	0		FJAARP
COc1ccc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCCC3)ccc2c1	ZINC000048342002	221009346	/nfs/dbraw/zinc/00/93/46/221009346.db2.gz	CGAAIBFVNIJDNL-UHFFFAOYSA-N	2	0	360.501	4.734	50	0		FJAARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3nc(C(C)C)cs3)CC2)o1	ZINC000011817513	570707567	/nfs/dbraw/zinc/70/75/67/570707567.db2.gz	HDXATWMJUYDYKB-UHFFFAOYSA-N	2	0	361.555	4.512	50	0		FJAARP
Cn1c(C2=CC(C)(C)[NH2+]C(C)(C)C2)ccc1C1=CC(C)(C)[NH2+]C(C)(C)C1	ZINC000000754179	571068808	/nfs/dbraw/zinc/06/88/08/571068808.db2.gz	AWMYJYKBDLQLFZ-UHFFFAOYSA-N	2	0	355.570	4.893	50	0		FJAARP
Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CC2CC[NH2+]CC2)cc1	ZINC000040719374	571092151	/nfs/dbraw/zinc/09/21/51/571092151.db2.gz	ZLSJQGAJFDBCEX-UHFFFAOYSA-N	2	0	374.528	4.816	50	0		FJAARP
C[C@H](Cc1ccccc1)[NH2+]CCCCCC[NH2+][C@H](C)Cc1ccccc1	ZINC000005276049	571126254	/nfs/dbraw/zinc/12/62/54/571126254.db2.gz	QDTBMJUZMMWCQX-FGZHOGPDSA-N	2	0	352.566	4.988	50	0		FJAARP
CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12	ZINC000247911250	571126330	/nfs/dbraw/zinc/12/63/30/571126330.db2.gz	LHNSINMPYWBXGP-QFIPXVFZSA-N	2	0	361.533	4.572	50	0		FJAARP
C[NH+](C)CCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12	ZINC000247983833	571127099	/nfs/dbraw/zinc/12/70/99/571127099.db2.gz	JZLLIRQSFMYDBT-UHFFFAOYSA-N	2	0	373.903	4.523	50	0		FJAARP
Cc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)oc1C	ZINC000012763922	220026870	/nfs/dbraw/zinc/02/68/70/220026870.db2.gz	JEVXKMNVAIWXRQ-JOCHJYFZSA-N	2	0	374.569	4.532	50	0		FJAARP
Cc1oc(-c2cccc(C)c2)nc1C[N@@H+](C)CC1CC[NH+](CC(C)C)CC1	ZINC000012111724	570718776	/nfs/dbraw/zinc/71/87/76/570718776.db2.gz	GDUBWSCVFBXVCT-UHFFFAOYSA-N	2	0	369.553	4.758	50	0		FJAARP
C[N@H+](Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1)Cc1cccc2ccccc21	ZINC000299758882	571192732	/nfs/dbraw/zinc/19/27/32/571192732.db2.gz	DYXSQUDLJHJTBB-NRFANRHFSA-N	2	0	374.528	4.850	50	0		FJAARP
Fc1ccc([C@H]2CC[N@H+](Cc3cc(C[NH+]4CCCCC4)cs3)C2)cc1	ZINC000670454138	571353403	/nfs/dbraw/zinc/35/34/03/571353403.db2.gz	SQULYKVRMGSYOS-IBGZPJMESA-N	2	0	358.526	4.863	50	0		FJAARP
C[C@H]1[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C	ZINC000263583468	210006116	/nfs/dbraw/zinc/00/61/16/210006116.db2.gz	GPLGAQQQNWMVMM-SVPJMPAISA-N	2	0	356.598	4.810	50	0	biogenic,in-vitro	FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1	ZINC000005347782	207095982	/nfs/dbraw/zinc/09/59/82/207095982.db2.gz	WIXKOACSCLQHFO-DHIUTWEWSA-N	2	0	374.613	4.995	50	0		FJAARP
C[NH+](C)Cc1cccc(C[N@H+](C)Cc2ccc([C@H]3CCCCO3)s2)c1	ZINC000097674314	222204184	/nfs/dbraw/zinc/20/41/84/222204184.db2.gz	UPAIEFLYOSNOTN-HXUWFJFHSA-N	2	0	358.551	4.683	50	0		FJAARP
CC[NH+](CC)CCC[NH2+][C@@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1	ZINC000005347067	570649567	/nfs/dbraw/zinc/64/95/67/570649567.db2.gz	PNIFHKSWZZWSNA-REWPJTCUSA-N	2	0	360.586	4.614	50	0		FJAARP
c1csc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000012308678	570735429	/nfs/dbraw/zinc/73/54/29/570735429.db2.gz	MTNAOIFLJZNSMM-UHFFFAOYSA-N	2	0	369.578	4.800	50	0		FJAARP
CSc1cccc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c1	ZINC000012440586	570745729	/nfs/dbraw/zinc/74/57/29/570745729.db2.gz	FNGJCBKOPTZKSP-UHFFFAOYSA-N	2	0	358.551	4.654	50	0		FJAARP
Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CC1CC[NH2+]CC1	ZINC000040720095	571092118	/nfs/dbraw/zinc/09/21/18/571092118.db2.gz	JUQXTXTYRQIAGP-UHFFFAOYSA-N	2	0	374.528	4.816	50	0		FJAARP
C[C@@H](Cc1ccccc1)[NH2+]CCCCCC[NH2+][C@@H](C)Cc1ccccc1	ZINC000005275222	571125773	/nfs/dbraw/zinc/12/57/73/571125773.db2.gz	QDTBMJUZMMWCQX-VXKWHMMOSA-N	2	0	352.566	4.988	50	0		FJAARP
Fc1ccc([C@@H]2CC[N@H+](Cc3cc(C[NH+]4CCCCC4)cs3)C2)cc1	ZINC000670454139	571353357	/nfs/dbraw/zinc/35/33/57/571353357.db2.gz	SQULYKVRMGSYOS-LJQANCHMSA-N	2	0	358.526	4.863	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1	ZINC000005347783	207095209	/nfs/dbraw/zinc/09/52/09/207095209.db2.gz	WIXKOACSCLQHFO-GOTSBHOMSA-N	2	0	374.613	4.995	50	0		FJAARP
CC[NH+](CC)CCC[NH2+][C@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1	ZINC000005347069	207095435	/nfs/dbraw/zinc/09/54/35/207095435.db2.gz	PNIFHKSWZZWSNA-OFNKIYASSA-N	2	0	360.586	4.614	50	0		FJAARP
C[C@H]1[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@@H]4CC[C@]23C[N@@H+]1C	ZINC000005752284	560202872	/nfs/dbraw/zinc/20/28/72/560202872.db2.gz	GPLGAQQQNWMVMM-FEFJCXPLSA-N	2	0	356.598	4.810	50	0	biogenic,in-vitro	FJAARP
CN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1ccc2ccccc2n1	ZINC000215561674	568076976	/nfs/dbraw/zinc/07/69/76/568076976.db2.gz	YULARZOQAAAGAR-UHFFFAOYSA-N	2	0	351.519	4.524	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1	ZINC000005347813	570649556	/nfs/dbraw/zinc/64/95/56/570649556.db2.gz	UICZBDAMKPGYLB-VXKWHMMOSA-N	2	0	360.586	4.687	50	0		FJAARP
Cc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)s1	ZINC000012054547	570715659	/nfs/dbraw/zinc/71/56/59/570715659.db2.gz	PUIWOAPUAONLHV-UHFFFAOYSA-N	2	0	360.542	4.582	50	0		FJAARP
C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12	ZINC000247976343	571126953	/nfs/dbraw/zinc/12/69/53/571126953.db2.gz	INZRHNHMENIAKV-UHFFFAOYSA-N	2	0	373.903	4.523	50	0		FJAARP
Cc1cn(CCCCn2c(C)cc(=[NH2+])c3ccccc32)c2ccccc2c1=[NH2+]	ZINC000334160139	571192472	/nfs/dbraw/zinc/19/24/72/571192472.db2.gz	DMOAMCDGQIBCRZ-UHFFFAOYSA-N	2	0	370.500	4.652	50	0		FJAARP
C[C@@H]1[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@@H]4CC[C@@]23C[N@@H+]1C	ZINC000253595621	571261072	/nfs/dbraw/zinc/26/10/72/571261072.db2.gz	GPLGAQQQNWMVMM-RZRYCVTMSA-N	2	0	356.598	4.810	50	0		FJAARP
C[C@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@H]4CC[C@@]23C[N@@H+]1C	ZINC000299804178	223105257	/nfs/dbraw/zinc/10/52/57/223105257.db2.gz	GPLGAQQQNWMVMM-DLYNTNKRSA-N	2	0	356.598	4.810	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1	ZINC000005347785	207095544	/nfs/dbraw/zinc/09/55/44/207095544.db2.gz	WIXKOACSCLQHFO-XZOQPEGZSA-N	2	0	374.613	4.995	50	0		FJAARP
CC[NH+](CC)CCC[NH2+][C@H](C)C[C@]1(c2ccccc2)CCOC(C)(C)C1	ZINC000005347065	207095565	/nfs/dbraw/zinc/09/55/65/207095565.db2.gz	PNIFHKSWZZWSNA-NFBKMPQASA-N	2	0	360.586	4.614	50	0		FJAARP
C[C@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@@H]4CC[C@]23C[N@@H+]1C	ZINC000031298110	560089540	/nfs/dbraw/zinc/08/95/40/560089540.db2.gz	GPLGAQQQNWMVMM-SEXZEVIRSA-N	2	0	356.598	4.810	50	0	biogenic,in-vitro	FJAARP
CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3csc(C)n3)CC2)C1	ZINC000091793806	570439057	/nfs/dbraw/zinc/43/90/57/570439057.db2.gz	LXQPKPUJVLKAQJ-FQEVSTJZSA-N	2	0	369.578	4.543	50	0		FJAARP
CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12	ZINC000247911243	571126132	/nfs/dbraw/zinc/12/61/32/571126132.db2.gz	LHNSINMPYWBXGP-JOCHJYFZSA-N	2	0	361.533	4.572	50	0		FJAARP
C[N@H+](Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1)Cc1cccc2ccccc21	ZINC000299758884	571192854	/nfs/dbraw/zinc/19/28/54/571192854.db2.gz	DYXSQUDLJHJTBB-OAQYLSRUSA-N	2	0	374.528	4.850	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1	ZINC000005347815	207095947	/nfs/dbraw/zinc/09/59/47/207095947.db2.gz	UICZBDAMKPGYLB-FCHUYYIVSA-N	2	0	360.586	4.687	50	0		FJAARP
C[C@H](c1ccc(C[N@@H+]2CCc3onc(-c4ccccc4)c3C2)cc1)[NH+](C)C	ZINC000067850823	221295468	/nfs/dbraw/zinc/29/54/68/221295468.db2.gz	RWTTWVLZCJEPJH-QGZVFWFLSA-N	2	0	361.489	4.523	50	0		FJAARP
C[NH+](C)Cc1cccc(C[N@H+](C)Cc2ccc([C@@H]3CCCCO3)s2)c1	ZINC000097674312	222204965	/nfs/dbraw/zinc/20/49/65/222204965.db2.gz	UPAIEFLYOSNOTN-FQEVSTJZSA-N	2	0	358.551	4.683	50	0		FJAARP
CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3csc(C)n3)CC2)C1	ZINC000091793804	570438964	/nfs/dbraw/zinc/43/89/64/570438964.db2.gz	LXQPKPUJVLKAQJ-HXUWFJFHSA-N	2	0	369.578	4.543	50	0		FJAARP
Cc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)oc1C	ZINC000012763917	570760496	/nfs/dbraw/zinc/76/04/96/570760496.db2.gz	JEVXKMNVAIWXRQ-QFIPXVFZSA-N	2	0	374.569	4.532	50	0		FJAARP
Cc1c(C[NH2+]CCC[NH+](C)C)c2ccccc2n1Cc1ccccc1Cl	ZINC000020477804	570917501	/nfs/dbraw/zinc/91/75/01/570917501.db2.gz	ANHRRSPNOWVWLQ-UHFFFAOYSA-N	2	0	369.940	4.693	50	0		FJAARP
COc1ccc(-c2cc(NCC[NH+]3CCCCC3)c3ccccc3[nH+]2)cc1	ZINC000004542899	571131747	/nfs/dbraw/zinc/13/17/47/571131747.db2.gz	WLDWDJTXCOMPKW-UHFFFAOYSA-N	2	0	361.489	4.808	50	0		FJAARP
Cc1ccc(COC(C[NH+]2CCCCCC2)C[NH+]2CCCCCC2)cc1	ZINC000000856540	219331969	/nfs/dbraw/zinc/33/19/69/219331969.db2.gz	GTCGHKXOBABHCP-UHFFFAOYSA-N	2	0	358.570	4.632	50	0		FJAARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cc4ccccc4o3)CC2)o1	ZINC000012467998	207381889	/nfs/dbraw/zinc/38/18/89/207381889.db2.gz	OXYZHAXVXGJZIA-UHFFFAOYSA-N	2	0	352.478	4.678	50	0		FJAARP
CC[N@@H+](Cc1ccsc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1	ZINC000020455930	521425829	/nfs/dbraw/zinc/42/58/29/521425829.db2.gz	GKDRDQFBAIXGIS-FQEVSTJZSA-N	2	0	372.578	4.533	50	0		FJAARP
CCCc1nc2ccccc2c(NC(=O)C[NH2+]C2CCCCC2)c1CC	ZINC000008462389	571047595	/nfs/dbraw/zinc/04/75/95/571047595.db2.gz	OAFLDHKISBAUSY-UHFFFAOYSA-N	2	0	353.510	4.611	50	0		FJAARP
Fc1ccccc1CN1CCC([NH2+]Cc2csc3ccccc23)CC1	ZINC000071810446	571088932	/nfs/dbraw/zinc/08/89/32/571088932.db2.gz	FMALXIJUSFOHBA-UHFFFAOYSA-N	2	0	354.494	4.795	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12	ZINC000248099740	571127827	/nfs/dbraw/zinc/12/78/27/571127827.db2.gz	NKOGUVXEZUIQMH-UHFFFAOYSA-N	2	0	363.549	4.820	50	0		FJAARP
Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1C	ZINC000015065568	220143765	/nfs/dbraw/zinc/14/37/65/220143765.db2.gz	JMDFBVFISFIBIN-UHFFFAOYSA-N	2	0	374.532	4.579	50	0		FJAARP
CC(C)(C)C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](C2CCCCC2)C1	ZINC000011665239	207316615	/nfs/dbraw/zinc/31/66/15/207316615.db2.gz	JJGYTWFBKMUJGS-NRFANRHFSA-N	2	0	357.586	4.974	50	0		FJAARP
CC(C)(C)C[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](C2CCCCC2)C1	ZINC000011665240	570704761	/nfs/dbraw/zinc/70/47/61/570704761.db2.gz	JJGYTWFBKMUJGS-OAQYLSRUSA-N	2	0	357.586	4.974	50	0		FJAARP
COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccoc2)CC(C)C)CC1	ZINC000012710133	570757871	/nfs/dbraw/zinc/75/78/71/570757871.db2.gz	QMDVTUXGDWNDLJ-UHFFFAOYSA-N	2	0	370.537	4.658	50	0		FJAARP
C[C@H](Cc1ccccc1)[NH2+]CCCCCC[NH2+][C@@H](C)Cc1ccccc1	ZINC000005275223	571125834	/nfs/dbraw/zinc/12/58/34/571125834.db2.gz	QDTBMJUZMMWCQX-SZPZYZBQSA-N	2	0	352.566	4.988	50	0		FJAARP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000248261653	571128758	/nfs/dbraw/zinc/12/87/58/571128758.db2.gz	QXEKSIVRXHFCAI-UHFFFAOYSA-N	2	0	367.512	4.650	50	0		FJAARP
Fc1cccc(Cl)c1CN1CCC(c2nccn2CC2CCC2)CC1	ZINC000091745749	571243195	/nfs/dbraw/zinc/24/31/95/571243195.db2.gz	JNEMHHWPZJJRQD-UHFFFAOYSA-N	2	0	361.892	4.855	50	0		FJAARP
Clc1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)c(Cl)c1	ZINC000000757764	219319683	/nfs/dbraw/zinc/31/96/83/219319683.db2.gz	WMEXQHGRMWPOEF-UHFFFAOYSA-N	2	0	363.332	4.790	50	0		FJAARP
CC[NH+](CC)CCC[NH2+][C@@H](C)C[C@]1(c2ccccc2)CCOC(C)(C)C1	ZINC000005347063	207095703	/nfs/dbraw/zinc/09/57/03/207095703.db2.gz	PNIFHKSWZZWSNA-NZQKXSOJSA-N	2	0	360.586	4.614	50	0		FJAARP
C[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccccc1C[NH+]1CCCC1	ZINC000215381249	568067187	/nfs/dbraw/zinc/06/71/87/568067187.db2.gz	XUDNVGUJXPIRGH-OAQYLSRUSA-N	2	0	370.562	4.827	50	0		FJAARP
C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2ncccc2c1	ZINC000215972767	568098323	/nfs/dbraw/zinc/09/83/23/568098323.db2.gz	VXNYAZFWCWRBCP-UHFFFAOYSA-N	2	0	351.519	4.524	50	0		FJAARP
c1sc2ccccc2[n+]1Cc1cccc(C[n+]2csc3ccccc32)c1	ZINC000002870859	570540818	/nfs/dbraw/zinc/54/08/18/570540818.db2.gz	CHJMIEPLUBHNIC-UHFFFAOYSA-N	2	0	374.534	4.788	50	0		FJAARP
C[NH+](C)CCCNCc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000008373913	570680809	/nfs/dbraw/zinc/68/08/09/570680809.db2.gz	VVGSOMPACBEXHQ-UHFFFAOYSA-N	2	0	367.320	4.614	50	0		FJAARP
CC(C)(C)[NH2+]CC(C[NH2+]C(C)(C)C)OC(c1ccccc1)c1ccccc1	ZINC000005613670	570681369	/nfs/dbraw/zinc/68/13/69/570681369.db2.gz	JTFDNLYSWCELHB-UHFFFAOYSA-N	2	0	368.565	4.937	50	0		FJAARP
Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)CC(C)C)CC1	ZINC000012448175	570973165	/nfs/dbraw/zinc/97/31/65/570973165.db2.gz	BKDPNECSSFMWRF-UHFFFAOYSA-N	2	0	365.565	4.760	50	0		FJAARP
Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CC2CC[NH2+]CC2)c1	ZINC000040720079	571092294	/nfs/dbraw/zinc/09/22/94/571092294.db2.gz	BLZQDOJJTLOMKW-UHFFFAOYSA-N	2	0	374.528	4.816	50	0		FJAARP
C[C@@H]1[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H]([NH+](C)C)CC[C@]5(C)[C@@H]4CC[C@]23C[N@@H+]1C	ZINC000253595620	571261117	/nfs/dbraw/zinc/26/11/17/571261117.db2.gz	GPLGAQQQNWMVMM-RVRMDDPESA-N	2	0	356.598	4.810	50	0		FJAARP
c1sc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1C[NH+]1CCCC1	ZINC000670466104	571358687	/nfs/dbraw/zinc/35/86/87/571358687.db2.gz	MQVWJSPRWFJLFU-UHFFFAOYSA-N	2	0	370.562	4.525	50	0		FJAARP