smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164431748	718969140	/nfs/dbraw/zinc/96/91/40/718969140.db2.gz	AVMXEXDEKJCQSG-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164435162	718969604	/nfs/dbraw/zinc/96/96/04/718969604.db2.gz	ZMXOGUZQIGIVBO-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl	ZINC001164620972	719020148	/nfs/dbraw/zinc/02/01/48/719020148.db2.gz	ZXZQJSCCYPPVTB-JCGIZDLHSA-N	1	0	447.873	2.943	20	30		IFEDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(CC#N)n3)CC2)c2ccccc21	ZINC001164680387	719675345	/nfs/dbraw/zinc/67/53/45/719675345.db2.gz	DLCWVYYFACZPGC-IBGZPJMESA-N	1	0	432.572	2.636	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC	ZINC001164808460	720095662	/nfs/dbraw/zinc/09/56/62/720095662.db2.gz	HMHFHELYTOEGGL-VGSWGCGISA-N	1	0	432.952	2.968	20	30		IFEDRO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1	ZINC001164711194	720141521	/nfs/dbraw/zinc/14/15/21/720141521.db2.gz	FYGVKVCFQHJMLL-OAQYLSRUSA-N	1	0	435.572	2.900	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1	ZINC001164813926	720209011	/nfs/dbraw/zinc/20/90/11/720209011.db2.gz	QZVLROKZVWASSI-UHFFFAOYSA-N	1	0	433.969	2.531	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1C#N)CCC2	ZINC001164814533	720230236	/nfs/dbraw/zinc/23/02/36/720230236.db2.gz	XGPVYJLHZZBTRL-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(-c3ccncc3)ccc2C#N)CC1	ZINC001164832015	720336076	/nfs/dbraw/zinc/33/60/76/720336076.db2.gz	STZIKGGKUWUACJ-DHIUTWEWSA-N	1	0	430.556	2.927	20	30		IFEDRO
N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)cc1	ZINC001164743475	720769169	/nfs/dbraw/zinc/76/91/69/720769169.db2.gz	QJFYQGQABXWHFV-FYYLOGMGSA-N	1	0	442.523	2.859	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164744756	720808865	/nfs/dbraw/zinc/80/88/65/720808865.db2.gz	IFPUYIVSXGZQGR-ZMSDIMECSA-N	1	0	444.996	2.694	20	30		IFEDRO
N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc12	ZINC001164757208	720900166	/nfs/dbraw/zinc/90/01/66/720900166.db2.gz	UJRCYKMSHPHFJC-OFVILXPXSA-N	1	0	443.555	2.980	20	30		IFEDRO
COc1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771388	721159721	/nfs/dbraw/zinc/15/97/21/721159721.db2.gz	SMLCXAQYGHIJNK-HUUCEWRRSA-N	1	0	436.894	2.852	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891032	721383864	/nfs/dbraw/zinc/38/38/64/721383864.db2.gz	QDDMFDVCAORAMS-PXNSSMCTSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890514	721387725	/nfs/dbraw/zinc/38/77/25/721387725.db2.gz	NRNWSXAPNCCIMV-UZLBHIALSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887779	721390792	/nfs/dbraw/zinc/39/07/92/721390792.db2.gz	IIHFKWUKBFJARV-MBSDFSHPSA-N	1	0	440.979	2.920	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883580	721415815	/nfs/dbraw/zinc/41/58/15/721415815.db2.gz	AZYJQXZHSCVGOP-XLIONFOSSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2	ZINC001164789882	721457717	/nfs/dbraw/zinc/45/77/17/721457717.db2.gz	YCYVMLLBPXNPCB-FQEVSTJZSA-N	1	0	429.521	2.595	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979163	722099084	/nfs/dbraw/zinc/09/90/84/722099084.db2.gz	HFRQTTZJUVJVCY-NVXWUHKLSA-N	1	0	430.965	2.846	20	30		IFEDRO
Cc1nc(C#Cc2ccnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164398387	718833930	/nfs/dbraw/zinc/83/39/30/718833930.db2.gz	FJXGOPNMNABNNG-HSZRJFAPSA-N	1	0	430.531	2.517	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164431750	718968803	/nfs/dbraw/zinc/96/88/03/718968803.db2.gz	AVMXEXDEKJCQSG-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164431753	718969059	/nfs/dbraw/zinc/96/90/59/718969059.db2.gz	AVMXEXDEKJCQSG-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164434322	718970021	/nfs/dbraw/zinc/97/00/21/718970021.db2.gz	QBXUYTDAQXNZRF-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164432338	718970097	/nfs/dbraw/zinc/97/00/97/718970097.db2.gz	GJPFAMRUYXBDID-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
Cc1ncc(C#N)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1	ZINC001164680636	719664586	/nfs/dbraw/zinc/66/45/86/719664586.db2.gz	GOAMNQKMSYQNRN-LJQANCHMSA-N	1	0	432.572	2.750	20	30		IFEDRO
Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cnc1C#N	ZINC001164680768	719675126	/nfs/dbraw/zinc/67/51/26/719675126.db2.gz	HKWOMPRGTGMUPA-LJQANCHMSA-N	1	0	432.572	2.750	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C3(C#N)CCOCC3)cn2)CC1	ZINC001164824689	720334906	/nfs/dbraw/zinc/33/49/06/720334906.db2.gz	CTGXKPKUAUOPSG-VXKWHMMOSA-N	1	0	437.588	2.565	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC001164826782	720351484	/nfs/dbraw/zinc/35/14/84/720351484.db2.gz	LBDMUSXOJXIVOX-VXKWHMMOSA-N	1	0	448.527	2.926	20	30		IFEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732021	720441276	/nfs/dbraw/zinc/44/12/76/720441276.db2.gz	MTVIGQSNBDKDKL-UIFIKXQLSA-N	1	0	428.496	2.658	20	30		IFEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732006	720442394	/nfs/dbraw/zinc/44/23/94/720442394.db2.gz	MTVIGQSNBDKDKL-DUXKGJEZSA-N	1	0	428.496	2.658	20	30		IFEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164752593	720802673	/nfs/dbraw/zinc/80/26/73/720802673.db2.gz	ZIIJHCODRIRLOS-AEFFLSMTSA-N	1	0	449.902	2.926	20	30		IFEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164750360	720803174	/nfs/dbraw/zinc/80/31/74/720803174.db2.gz	VKGUORFIWUYJFJ-DLBZAZTESA-N	1	0	449.902	2.926	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743618	720843918	/nfs/dbraw/zinc/84/39/18/720843918.db2.gz	JQGYLDOCABWENV-MDNUFGMLSA-N	1	0	447.587	2.624	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@@H]2C1	ZINC001164858192	720858384	/nfs/dbraw/zinc/85/83/84/720858384.db2.gz	RMQVEDWTAILTDN-VFNWGFHPSA-N	1	0	445.926	2.981	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@@H]2C1	ZINC001164861519	720863469	/nfs/dbraw/zinc/86/34/69/720863469.db2.gz	XWZXOEOHPXGKMF-UYAOXDASSA-N	1	0	439.585	2.911	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866586	721069869	/nfs/dbraw/zinc/06/98/69/721069869.db2.gz	FSNYPSGXCJMKJE-MSOLQXFVSA-N	1	0	441.919	2.658	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887280	721401225	/nfs/dbraw/zinc/40/12/25/721401225.db2.gz	LUBCRMSNDMRRPY-OXJNMPFZSA-N	1	0	439.938	2.917	20	30		IFEDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C#N)c(C#N)nc2Cl)CC1	ZINC001165020206	721841122	/nfs/dbraw/zinc/84/11/22/721841122.db2.gz	FZJUNDCAAWSTHL-UHFFFAOYSA-N	1	0	426.908	2.991	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C	ZINC001164928065	721869976	/nfs/dbraw/zinc/86/99/76/721869976.db2.gz	XSTONLCSTXFSTP-JKSUJKDBSA-N	1	0	441.910	2.543	20	30		IFEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164976298	722108416	/nfs/dbraw/zinc/10/84/16/722108416.db2.gz	LBXFETAKHJQTIU-SIKLNZKXSA-N	1	0	435.528	2.561	20	30		IFEDRO
Cc1nc(CN2CCO[C@H]3CCN(c4ncc5c(c4C#N)CCC[NH2+]C5)CC[C@@H]32)cs1	ZINC001164988893	722174375	/nfs/dbraw/zinc/17/43/75/722174375.db2.gz	RVVAGEUFCYPIDU-VXKWHMMOSA-N	1	0	438.601	2.624	20	30		IFEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)cnc2Cl)c1	ZINC001164391707	718809828	/nfs/dbraw/zinc/80/98/28/718809828.db2.gz	HOAGPWMYNQLTFM-UHFFFAOYSA-N	1	0	431.874	2.877	20	30		IFEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)cnc2Cl)cc1	ZINC001164393039	718809837	/nfs/dbraw/zinc/80/98/37/718809837.db2.gz	PQTSWJIOFFEHHN-UHFFFAOYSA-N	1	0	431.874	2.877	20	30		IFEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1	ZINC001164423532	718918860	/nfs/dbraw/zinc/91/88/60/718918860.db2.gz	IFDHMSDQFRBEEO-FQEVSTJZSA-N	1	0	449.889	2.799	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164433793	718968136	/nfs/dbraw/zinc/96/81/36/718968136.db2.gz	NGCZGLDPFLCGAS-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164431744	718969024	/nfs/dbraw/zinc/96/90/24/718969024.db2.gz	AVMXEXDEKJCQSG-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164432335	718969947	/nfs/dbraw/zinc/96/99/47/718969947.db2.gz	GJDDFZDCISPDPU-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl	ZINC001164620974	719020348	/nfs/dbraw/zinc/02/03/48/719020348.db2.gz	ZXZQJSCCYPPVTB-JLSDUUJJSA-N	1	0	447.873	2.943	20	30		IFEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(SC)nc(Cl)c3C=NO)CC2)CC1	ZINC001164613834	719024028	/nfs/dbraw/zinc/02/40/28/719024028.db2.gz	GVOAVHHJJQSDEL-UHFFFAOYSA-N	1	0	441.985	2.904	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2	ZINC001164690319	719742155	/nfs/dbraw/zinc/74/21/55/719742155.db2.gz	ZVGBFGAJZKIPJD-UHFFFAOYSA-N	1	0	433.556	2.907	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2	ZINC001164689326	719754980	/nfs/dbraw/zinc/75/49/80/719754980.db2.gz	BAUTZJMNJGNXII-UHFFFAOYSA-N	1	0	440.935	2.975	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812273	720091755	/nfs/dbraw/zinc/09/17/55/720091755.db2.gz	QBPSHVWXBIHDFJ-LIRRHRJNSA-N	1	0	425.986	2.845	20	30		IFEDRO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1	ZINC001164710791	720152646	/nfs/dbraw/zinc/15/26/46/720152646.db2.gz	CRJRENXONGVXAE-LJQANCHMSA-N	1	0	431.544	2.685	20	30		IFEDRO
Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(C#N)c(C)c1Cl	ZINC001164713514	720169115	/nfs/dbraw/zinc/16/91/15/720169115.db2.gz	LTTOXSRLPKGIOM-SFHVURJKSA-N	1	0	429.956	2.568	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1[C@H](C#N)C(=O)OC)C2	ZINC001164816732	720170592	/nfs/dbraw/zinc/17/05/92/720170592.db2.gz	MLODAXUYCIKDBR-XHNVNVPESA-N	1	0	449.555	2.595	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(-c3ccncc3)ccc2C#N)CC1	ZINC001164832017	720336223	/nfs/dbraw/zinc/33/62/23/720336223.db2.gz	STZIKGGKUWUACJ-PKTZIBPZSA-N	1	0	430.556	2.927	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC001164826785	720351676	/nfs/dbraw/zinc/35/16/76/720351676.db2.gz	LBDMUSXOJXIVOX-YADHBBJMSA-N	1	0	448.527	2.926	20	30		IFEDRO
CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164741676	720724059	/nfs/dbraw/zinc/72/40/59/720724059.db2.gz	MVOSELGPULJHCX-QZTJIDSGSA-N	1	0	445.552	2.869	20	30		IFEDRO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747728	720844886	/nfs/dbraw/zinc/84/48/86/720844886.db2.gz	RMUYUJSBSKJUHJ-AOHZBQACSA-N	1	0	440.555	2.986	20	30		IFEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12	ZINC001164753282	720971121	/nfs/dbraw/zinc/97/11/21/720971121.db2.gz	BLCKSMNSTPDLJZ-UHFFFAOYSA-N	1	0	438.919	2.910	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164868441	721066641	/nfs/dbraw/zinc/06/66/41/721066641.db2.gz	OLXOBFRJSGKNFI-HUUCEWRRSA-N	1	0	434.953	2.535	20	30		IFEDRO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865779	721120588	/nfs/dbraw/zinc/12/05/88/721120588.db2.gz	PLEDDEHFEAQVRV-UXHICEINSA-N	1	0	434.544	2.813	20	30		IFEDRO
N#Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869717	721182163	/nfs/dbraw/zinc/18/21/63/721182163.db2.gz	AFPLEJDPKKXVOI-PMACEKPBSA-N	1	0	430.468	2.889	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886667	721415467	/nfs/dbraw/zinc/41/54/67/721415467.db2.gz	KLRLOUQUNIOMFE-YLJYHZDGSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2	ZINC001164788675	721459797	/nfs/dbraw/zinc/45/97/97/721459797.db2.gz	VMMIEXFYMFCZEP-KRWDZBQOSA-N	1	0	444.967	2.607	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164790640	721470096	/nfs/dbraw/zinc/47/00/96/721470096.db2.gz	SYHAHFLAFRXXLF-JOCHJYFZSA-N	1	0	440.588	2.760	20	30		IFEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(-c4ccc(F)cc4)ccc2C#N)CC3)CC1	ZINC001164794937	721509651	/nfs/dbraw/zinc/50/96/51/721509651.db2.gz	GHPXAAIXIHHJTN-UHFFFAOYSA-N	1	0	431.519	2.723	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164435009	718968459	/nfs/dbraw/zinc/96/84/59/718968459.db2.gz	XIAROTXHVUDMQK-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
Cc1nc(C#N)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1	ZINC001164682115	719683154	/nfs/dbraw/zinc/68/31/54/719683154.db2.gz	BSYQBTLPYCFYGT-LJQANCHMSA-N	1	0	432.572	2.750	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820100	720186693	/nfs/dbraw/zinc/18/66/93/720186693.db2.gz	ZMOXSRWVIJWSPW-GLDPYIMESA-N	1	0	441.576	2.610	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164733494	720557557	/nfs/dbraw/zinc/55/75/57/720557557.db2.gz	OFPOCNQHHRTZPI-UHFFFAOYSA-N	1	0	428.924	2.638	20	30		IFEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164750362	720802755	/nfs/dbraw/zinc/80/27/55/720802755.db2.gz	VKGUORFIWUYJFJ-IAGOWNOFSA-N	1	0	449.902	2.926	20	30		IFEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164752604	720802850	/nfs/dbraw/zinc/80/28/50/720802850.db2.gz	ZIIJHCODRIRLOS-WMZOPIPTSA-N	1	0	449.902	2.926	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164744752	720808880	/nfs/dbraw/zinc/80/88/80/720808880.db2.gz	IFPUYIVSXGZQGR-YQQAZPJKSA-N	1	0	444.996	2.694	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@H]2C1	ZINC001164856505	720834803	/nfs/dbraw/zinc/83/48/03/720834803.db2.gz	WRRTXMDJFPSKJU-WFASDCNBSA-N	1	0	435.302	2.978	20	30		IFEDRO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747740	720845144	/nfs/dbraw/zinc/84/51/44/720845144.db2.gz	RMUYUJSBSKJUHJ-WPFOTENUSA-N	1	0	440.555	2.986	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@H]2C1	ZINC001164858185	720857522	/nfs/dbraw/zinc/85/75/22/720857522.db2.gz	RMQVEDWTAILTDN-BTYIYWSLSA-N	1	0	445.926	2.981	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@H]2C1	ZINC001164852886	720888696	/nfs/dbraw/zinc/88/86/96/720888696.db2.gz	AGEIRWTYSPCUMK-PXNSSMCTSA-N	1	0	443.935	2.967	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@H]2C1	ZINC001164858478	720889371	/nfs/dbraw/zinc/88/93/71/720889371.db2.gz	KYKHLXDPBIEJQS-FXAWDEMLSA-N	1	0	443.935	2.967	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@@H]2C1	ZINC001164853757	720889655	/nfs/dbraw/zinc/88/96/55/720889655.db2.gz	CQJLLILNKJCXQD-YLJYHZDGSA-N	1	0	443.935	2.967	20	30		IFEDRO
N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc12	ZINC001164757209	720899887	/nfs/dbraw/zinc/89/98/87/720899887.db2.gz	UJRCYKMSHPHFJC-PXDATVDWSA-N	1	0	443.555	2.980	20	30		IFEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2	ZINC001164753705	720969728	/nfs/dbraw/zinc/96/97/28/720969728.db2.gz	IMZVKIZVHAPHOG-UHFFFAOYSA-N	1	0	442.882	2.741	20	30		IFEDRO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865778	721121894	/nfs/dbraw/zinc/12/18/94/721121894.db2.gz	PLEDDEHFEAQVRV-PMACEKPBSA-N	1	0	434.544	2.813	20	30		IFEDRO
COc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771386	721160331	/nfs/dbraw/zinc/16/03/31/721160331.db2.gz	SMLCXAQYGHIJNK-CABCVRRESA-N	1	0	436.894	2.852	20	30		IFEDRO
N#Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869720	721183552	/nfs/dbraw/zinc/18/35/52/721183552.db2.gz	AFPLEJDPKKXVOI-UXHICEINSA-N	1	0	430.468	2.889	20	30		IFEDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(C#N)c4cc(Cl)ccc4n3)CC2)C1	ZINC001164879612	721291028	/nfs/dbraw/zinc/29/10/28/721291028.db2.gz	XFBXKCZUABEQOV-UHFFFAOYSA-N	1	0	441.963	2.767	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883576	721415341	/nfs/dbraw/zinc/41/53/41/721415341.db2.gz	AZYJQXZHSCVGOP-FXAWDEMLSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896807	721425960	/nfs/dbraw/zinc/42/59/60/721425960.db2.gz	SDLVMIMVJZRMHT-PXNSSMCTSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)c(C#N)cc1F)CC2	ZINC001164788781	721464964	/nfs/dbraw/zinc/46/49/64/721464964.db2.gz	KQCJXAVFFFGSCI-IBGZPJMESA-N	1	0	432.540	2.835	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C	ZINC001164928061	721869971	/nfs/dbraw/zinc/86/99/71/721869971.db2.gz	XSTONLCSTXFSTP-HOTGVXAUSA-N	1	0	441.910	2.543	20	30		IFEDRO
Cc1nc(CN2CCO[C@@H]3CCN(c4ncc5c(c4C#N)CCC[NH2+]C5)CC[C@H]32)cs1	ZINC001164988892	722174259	/nfs/dbraw/zinc/17/42/59/722174259.db2.gz	RVVAGEUFCYPIDU-FGZHOGPDSA-N	1	0	438.601	2.624	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl	ZINC001164615549	719019777	/nfs/dbraw/zinc/01/97/77/719019777.db2.gz	IOVSCHIJRBOGAW-WBAXXEDZSA-N	1	0	447.873	2.943	20	30		IFEDRO
CCOC(=O)c1cc(C)nc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1C#N	ZINC001164614233	719024113	/nfs/dbraw/zinc/02/41/13/719024113.db2.gz	QAGSLLVVJYQKAV-UHFFFAOYSA-N	1	0	428.533	2.682	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164683179	719700014	/nfs/dbraw/zinc/70/00/14/719700014.db2.gz	IXWBTMQRIDLBFD-UHFFFAOYSA-N	1	0	432.302	2.986	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)CC2	ZINC001164690063	719756221	/nfs/dbraw/zinc/75/62/21/719756221.db2.gz	RTIWBZKJXSLGSS-UHFFFAOYSA-N	1	0	440.935	2.975	20	30		IFEDRO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1	ZINC001164710790	720153573	/nfs/dbraw/zinc/15/35/73/720153573.db2.gz	CRJRENXONGVXAE-IBGZPJMESA-N	1	0	431.544	2.685	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1[C@H](C#N)C(=O)OC)C2	ZINC001164816730	720170478	/nfs/dbraw/zinc/17/04/78/720170478.db2.gz	MLODAXUYCIKDBR-MHPIHPPYSA-N	1	0	449.555	2.595	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc(Cl)c(Cl)cc1C#N)[C@@H]2COCC[NH+]1CCCC1	ZINC001164719199	720182537	/nfs/dbraw/zinc/18/25/37/720182537.db2.gz	UGBODXNSJQHWMI-MRXNPFEDSA-N	1	0	436.347	2.605	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C3(C#N)CCOCC3)cn2)CC1	ZINC001164824684	720334790	/nfs/dbraw/zinc/33/47/90/720334790.db2.gz	CTGXKPKUAUOPSG-FCHUYYIVSA-N	1	0	437.588	2.565	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(-c3ccncc3)ccc2C#N)CC1	ZINC001164832018	720336062	/nfs/dbraw/zinc/33/60/62/720336062.db2.gz	STZIKGGKUWUACJ-XZOQPEGZSA-N	1	0	430.556	2.927	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC001164826775	720351510	/nfs/dbraw/zinc/35/15/10/720351510.db2.gz	LBDMUSXOJXIVOX-FCHUYYIVSA-N	1	0	448.527	2.926	20	30		IFEDRO
N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)cc1	ZINC001164743476	720768986	/nfs/dbraw/zinc/76/89/86/720768986.db2.gz	QJFYQGQABXWHFV-GGAORHGYSA-N	1	0	442.523	2.859	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164856501	720834971	/nfs/dbraw/zinc/83/49/71/720834971.db2.gz	WRRTXMDJFPSKJU-IUODEOHRSA-N	1	0	435.302	2.978	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743616	720843928	/nfs/dbraw/zinc/84/39/28/720843928.db2.gz	JQGYLDOCABWENV-AKIFATBCSA-N	1	0	447.587	2.624	20	30		IFEDRO
N#Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750712	720881525	/nfs/dbraw/zinc/88/15/25/720881525.db2.gz	JOQGGRZWZIANLZ-NOZRDPDXSA-N	1	0	428.540	2.975	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001164858496	720889365	/nfs/dbraw/zinc/88/93/65/720889365.db2.gz	KYKHLXDPBIEJQS-YLJYHZDGSA-N	1	0	443.935	2.967	20	30		IFEDRO
Cc1ccc2nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c(C#N)c(Cl)c2c1	ZINC001164753228	720970671	/nfs/dbraw/zinc/97/06/71/720970671.db2.gz	BDFYWYUHRMHNHG-UHFFFAOYSA-N	1	0	438.919	2.910	20	30		IFEDRO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865781	721121129	/nfs/dbraw/zinc/12/11/29/721121129.db2.gz	PLEDDEHFEAQVRV-WOJBJXKFSA-N	1	0	434.544	2.813	20	30		IFEDRO
N#Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869723	721183086	/nfs/dbraw/zinc/18/30/86/721183086.db2.gz	AFPLEJDPKKXVOI-WOJBJXKFSA-N	1	0	430.468	2.889	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883906	721409639	/nfs/dbraw/zinc/40/96/39/721409639.db2.gz	CQYRVDLDCNYZEV-AZUAARDMSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2	ZINC001164790054	721459346	/nfs/dbraw/zinc/45/93/46/721459346.db2.gz	ZFYQYZYEQPCQDV-IBGZPJMESA-N	1	0	429.521	2.595	20	30		IFEDRO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164803015	721573965	/nfs/dbraw/zinc/57/39/65/721573965.db2.gz	JECIBTVSJMCFJK-WMTXJRDZSA-N	1	0	433.556	2.917	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164434323	718969682	/nfs/dbraw/zinc/96/96/82/718969682.db2.gz	QBXUYTDAQXNZRF-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164435164	718969953	/nfs/dbraw/zinc/96/99/53/718969953.db2.gz	ZMXOGUZQIGIVBO-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1C#N)C2	ZINC001164434341	718969981	/nfs/dbraw/zinc/96/99/81/718969981.db2.gz	QHJHPCXHKPBXLQ-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl	ZINC001164615545	719019574	/nfs/dbraw/zinc/01/95/74/719019574.db2.gz	IOVSCHIJRBOGAW-JCGIZDLHSA-N	1	0	447.873	2.943	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl	ZINC001164620976	719019963	/nfs/dbraw/zinc/01/99/63/719019963.db2.gz	ZXZQJSCCYPPVTB-WBAXXEDZSA-N	1	0	447.873	2.943	20	30		IFEDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(C#N)cc3C#N)CC2)c2ccccc21	ZINC001164681880	719663524	/nfs/dbraw/zinc/66/35/24/719663524.db2.gz	RVXUKFFTFLGPAA-HXUWFJFHSA-N	1	0	442.567	2.918	20	30		IFEDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(C#N)cc3C#N)CC2)c2ccccc21	ZINC001164681852	719663563	/nfs/dbraw/zinc/66/35/63/719663563.db2.gz	RVXUKFFTFLGPAA-FQEVSTJZSA-N	1	0	442.567	2.918	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812268	720091066	/nfs/dbraw/zinc/09/10/66/720091066.db2.gz	QBPSHVWXBIHDFJ-IFXJQAMLSA-N	1	0	425.986	2.845	20	30		IFEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812266	720091195	/nfs/dbraw/zinc/09/11/95/720091195.db2.gz	QBPSHVWXBIHDFJ-AUUYWEPGSA-N	1	0	425.986	2.845	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC	ZINC001164808459	720094892	/nfs/dbraw/zinc/09/48/92/720094892.db2.gz	HMHFHELYTOEGGL-VGOFRKELSA-N	1	0	432.952	2.968	20	30		IFEDRO
CCCc1cc(C#N)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1Cl	ZINC001164716528	720187462	/nfs/dbraw/zinc/18/74/62/720187462.db2.gz	GPZPLALPAUJZTK-IBGZPJMESA-N	1	0	443.983	2.904	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820115	720187581	/nfs/dbraw/zinc/18/75/81/720187581.db2.gz	ZMOXSRWVIJWSPW-XLNZFTOWSA-N	1	0	441.576	2.610	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820095	720187842	/nfs/dbraw/zinc/18/78/42/720187842.db2.gz	ZMOXSRWVIJWSPW-AXHZCLLHSA-N	1	0	441.576	2.610	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc3c(cc1C#N)CCCC3(C)C)[C@H]2COCC[NH+]1CCCC1	ZINC001164716861	720205996	/nfs/dbraw/zinc/20/59/96/720205996.db2.gz	GCXOAXLHFMPUPJ-NRFANRHFSA-N	1	0	449.603	2.912	20	30		IFEDRO
N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)cc1	ZINC001164743478	720769624	/nfs/dbraw/zinc/76/96/24/720769624.db2.gz	QJFYQGQABXWHFV-JTHBVZDNSA-N	1	0	442.523	2.859	20	30		IFEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001164747876	720802807	/nfs/dbraw/zinc/80/28/07/720802807.db2.gz	PQAIJMCFPIXJTM-AEFFLSMTSA-N	1	0	449.902	2.926	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@H]2C1	ZINC001164856503	720834590	/nfs/dbraw/zinc/83/45/90/720834590.db2.gz	WRRTXMDJFPSKJU-SWLSCSKDSA-N	1	0	435.302	2.978	20	30		IFEDRO
N#Cc1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164755441	720869099	/nfs/dbraw/zinc/86/90/99/720869099.db2.gz	WYKDVOPUGHVJNZ-SQJMNOBHSA-N	1	0	443.555	2.980	20	30		IFEDRO
N#Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750703	720881433	/nfs/dbraw/zinc/88/14/33/720881433.db2.gz	JOQGGRZWZIANLZ-ILBGXUMGSA-N	1	0	428.540	2.975	20	30		IFEDRO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865780	721120355	/nfs/dbraw/zinc/12/03/55/721120355.db2.gz	PLEDDEHFEAQVRV-VQTJNVASSA-N	1	0	434.544	2.813	20	30		IFEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc([C@@H](C#N)c5ccccc5F)nn4)C[C@@H]3C2)cn1	ZINC001164768984	721159825	/nfs/dbraw/zinc/15/98/25/721159825.db2.gz	OPSWHSDFMUYVIP-DYXWJJEUSA-N	1	0	431.519	2.963	20	30		IFEDRO
COc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771389	721160790	/nfs/dbraw/zinc/16/07/90/721160790.db2.gz	SMLCXAQYGHIJNK-LSDHHAIUSA-N	1	0	436.894	2.852	20	30		IFEDRO
N#Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869722	721182129	/nfs/dbraw/zinc/18/21/29/721182129.db2.gz	AFPLEJDPKKXVOI-VQTJNVASSA-N	1	0	430.468	2.889	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887279	721401105	/nfs/dbraw/zinc/40/11/05/721401105.db2.gz	LUBCRMSNDMRRPY-JXFKEZNVSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883581	721415395	/nfs/dbraw/zinc/41/53/95/721415395.db2.gz	AZYJQXZHSCVGOP-YLJYHZDGSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164790641	721470239	/nfs/dbraw/zinc/47/02/39/721470239.db2.gz	SYHAHFLAFRXXLF-QFIPXVFZSA-N	1	0	440.588	2.760	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C	ZINC001164928059	721869974	/nfs/dbraw/zinc/86/99/74/721869974.db2.gz	XSTONLCSTXFSTP-CVEARBPZSA-N	1	0	441.910	2.543	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979167	722099044	/nfs/dbraw/zinc/09/90/44/722099044.db2.gz	HFRQTTZJUVJVCY-WBVHZDCISA-N	1	0	430.965	2.846	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CCOCC1	ZINC001164972790	722137307	/nfs/dbraw/zinc/13/73/07/722137307.db2.gz	ANWGRSIIMXMERO-GGAORHGYSA-N	1	0	433.556	2.776	20	30		IFEDRO
Cc1nc(CN2CCO[C@H]3CCN(c4ncc5c(c4C#N)CCC[NH2+]C5)CC[C@H]32)cs1	ZINC001164988894	722174359	/nfs/dbraw/zinc/17/43/59/722174359.db2.gz	RVVAGEUFCYPIDU-YADHBBJMSA-N	1	0	438.601	2.624	20	30		IFEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CCC2	ZINC001165002207	722254711	/nfs/dbraw/zinc/25/47/11/722254711.db2.gz	LHFREQIUGJIFMZ-IBGZPJMESA-N	1	0	449.534	2.956	20	30		IFEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CCC2	ZINC001165002247	722255150	/nfs/dbraw/zinc/25/51/50/722255150.db2.gz	MFDGUYGSXSLUJA-UHFFFAOYSA-N	1	0	439.564	2.623	20	30		IFEDRO
C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)c3)C4)n2)CC1	ZINC001165003163	722258755	/nfs/dbraw/zinc/25/87/55/722258755.db2.gz	CMMGQKKFDSLHBD-AREMUKBSSA-N	1	0	446.599	2.828	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164433125	718969076	/nfs/dbraw/zinc/96/90/76/718969076.db2.gz	KBUXITWNVPNYBN-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164432336	718970114	/nfs/dbraw/zinc/97/01/14/718970114.db2.gz	GJPFAMRUYXBDID-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl	ZINC001164620970	719020193	/nfs/dbraw/zinc/02/01/93/719020193.db2.gz	ZXZQJSCCYPPVTB-FHLIZLRMSA-N	1	0	447.873	2.943	20	30		IFEDRO
Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C#N)n1	ZINC001164686899	719676498	/nfs/dbraw/zinc/67/64/98/719676498.db2.gz	YWCDLKVKRBDLQL-IBGZPJMESA-N	1	0	432.572	2.750	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccncc3)ccc1C#N)CCC2	ZINC001164812653	720235048	/nfs/dbraw/zinc/23/50/48/720235048.db2.gz	HJYCVHCWDYEEJR-UHFFFAOYSA-N	1	0	429.528	2.822	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@H]2C1	ZINC001164861498	720863666	/nfs/dbraw/zinc/86/36/66/720863666.db2.gz	XWZXOEOHPXGKMF-ICSRJNTNSA-N	1	0	439.585	2.911	20	30		IFEDRO
N#Cc1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164755440	720868786	/nfs/dbraw/zinc/86/87/86/720868786.db2.gz	WYKDVOPUGHVJNZ-PXDATVDWSA-N	1	0	443.555	2.980	20	30		IFEDRO
N#Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750720	720881495	/nfs/dbraw/zinc/88/14/95/720881495.db2.gz	JOQGGRZWZIANLZ-ZCYQVOJMSA-N	1	0	428.540	2.975	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@H]2C1	ZINC001164853751	720889396	/nfs/dbraw/zinc/88/93/96/720889396.db2.gz	CQJLLILNKJCXQD-FXAWDEMLSA-N	1	0	443.935	2.967	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001164852889	720889737	/nfs/dbraw/zinc/88/97/37/720889737.db2.gz	AGEIRWTYSPCUMK-YLJYHZDGSA-N	1	0	443.935	2.967	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164868442	721066359	/nfs/dbraw/zinc/06/63/59/721066359.db2.gz	OLXOBFRJSGKNFI-LSDHHAIUSA-N	1	0	434.953	2.535	20	30		IFEDRO
CCCc1cc(C#N)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1Cl	ZINC001164872460	721277401	/nfs/dbraw/zinc/27/74/01/721277401.db2.gz	DMOVXAQHLZVQOK-UHFFFAOYSA-N	1	0	433.984	2.566	20	30		IFEDRO
Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C#C[Si](C)(C)C)c1	ZINC001164874551	721281060	/nfs/dbraw/zinc/28/10/60/721281060.db2.gz	UMMTVYKHDMYCCH-UHFFFAOYSA-N	1	0	442.680	2.626	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887777	721390744	/nfs/dbraw/zinc/39/07/44/721390744.db2.gz	IIHFKWUKBFJARV-FDDCHVKYSA-N	1	0	440.979	2.920	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896812	721426227	/nfs/dbraw/zinc/42/62/27/721426227.db2.gz	SDLVMIMVJZRMHT-XLIONFOSSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898773	721431812	/nfs/dbraw/zinc/43/18/12/721431812.db2.gz	WYMYUNPKYDHJNH-DHLKQENFSA-N	1	0	432.572	2.781	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898777	721431824	/nfs/dbraw/zinc/43/18/24/721431824.db2.gz	WYMYUNPKYDHJNH-WIOPSUGQSA-N	1	0	432.572	2.781	20	30		IFEDRO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1	ZINC001164789991	721467415	/nfs/dbraw/zinc/46/74/15/721467415.db2.gz	PVTYIXUCJGKFHH-NRFANRHFSA-N	1	0	442.604	2.731	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979165	722098899	/nfs/dbraw/zinc/09/88/99/722098899.db2.gz	HFRQTTZJUVJVCY-RDJZCZTQSA-N	1	0	430.965	2.846	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164976432	722107554	/nfs/dbraw/zinc/10/75/54/722107554.db2.gz	DAEWOMFKJBSBEE-WBVHZDCISA-N	1	0	448.980	2.782	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1C#N)C2	ZINC001164434343	718969945	/nfs/dbraw/zinc/96/99/45/718969945.db2.gz	QHJHPCXHKPBXLQ-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
Cc1nc(C#Cc2ccnc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669270	719394095	/nfs/dbraw/zinc/39/40/95/719394095.db2.gz	ULLFLWVNGUHSJZ-BJKOFHAPSA-N	1	0	431.515	2.942	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(Cl)nc1C#N)CCC2	ZINC001164813502	720218987	/nfs/dbraw/zinc/21/89/87/720218987.db2.gz	NFESSSVUGBDWNL-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(C#N)c1)CCC2	ZINC001164814091	720223820	/nfs/dbraw/zinc/22/38/20/720223820.db2.gz	STZXGVFWWZVFOA-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(-c3ccncc3)ccc2C#N)CC1	ZINC001164832016	720335944	/nfs/dbraw/zinc/33/59/44/720335944.db2.gz	STZIKGGKUWUACJ-GOTSBHOMSA-N	1	0	430.556	2.927	20	30		IFEDRO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1	ZINC001164740894	720623562	/nfs/dbraw/zinc/62/35/62/720623562.db2.gz	JTUUFWPBZMCLFN-SJBKTWHCSA-N	1	0	427.512	2.572	20	30		IFEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164750365	720802734	/nfs/dbraw/zinc/80/27/34/720802734.db2.gz	VKGUORFIWUYJFJ-SJORKVTESA-N	1	0	449.902	2.926	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743615	720843756	/nfs/dbraw/zinc/84/37/56/720843756.db2.gz	JQGYLDOCABWENV-ACIOBRDBSA-N	1	0	447.587	2.624	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@@H]2C1	ZINC001164861509	720863559	/nfs/dbraw/zinc/86/35/59/720863559.db2.gz	XWZXOEOHPXGKMF-QUCCMNQESA-N	1	0	439.585	2.911	20	30		IFEDRO
COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N	ZINC001164752438	720880195	/nfs/dbraw/zinc/88/01/95/720880195.db2.gz	MZZHMACHODGSRA-ZJSXRUAMSA-N	1	0	434.544	2.507	20	30		IFEDRO
N#Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750716	720881674	/nfs/dbraw/zinc/88/16/74/720881674.db2.gz	JOQGGRZWZIANLZ-UKILVPOCSA-N	1	0	428.540	2.975	20	30		IFEDRO
N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc12	ZINC001164757210	720899857	/nfs/dbraw/zinc/89/98/57/720899857.db2.gz	UJRCYKMSHPHFJC-SQJMNOBHSA-N	1	0	443.555	2.980	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891038	721383874	/nfs/dbraw/zinc/38/38/74/721383874.db2.gz	QDDMFDVCAORAMS-YLJYHZDGSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883912	721409695	/nfs/dbraw/zinc/40/96/95/721409695.db2.gz	CQYRVDLDCNYZEV-UYAOXDASSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886661	721415179	/nfs/dbraw/zinc/41/51/79/721415179.db2.gz	KLRLOUQUNIOMFE-PXNSSMCTSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886664	721415683	/nfs/dbraw/zinc/41/56/83/721415683.db2.gz	KLRLOUQUNIOMFE-XLIONFOSSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898776	721431662	/nfs/dbraw/zinc/43/16/62/721431662.db2.gz	WYMYUNPKYDHJNH-RDGATRHJSA-N	1	0	432.572	2.781	20	30		IFEDRO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1	ZINC001164788707	721471248	/nfs/dbraw/zinc/47/12/48/721471248.db2.gz	JAPXVPMTLDGXBH-IBGZPJMESA-N	1	0	438.576	2.516	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C	ZINC001164928063	721869841	/nfs/dbraw/zinc/86/98/41/721869841.db2.gz	XSTONLCSTXFSTP-HZPDHXFCSA-N	1	0	441.910	2.543	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)CCOCC1	ZINC001164972798	722136927	/nfs/dbraw/zinc/13/69/27/722136927.db2.gz	ANWGRSIIMXMERO-JTHBVZDNSA-N	1	0	433.556	2.776	20	30		IFEDRO
C[NH+]1CCN(c2cccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)c3)C4)n2)CC1	ZINC001165003164	722258741	/nfs/dbraw/zinc/25/87/41/722258741.db2.gz	CMMGQKKFDSLHBD-SANMLTNESA-N	1	0	446.599	2.828	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164435006	718968336	/nfs/dbraw/zinc/96/83/36/718968336.db2.gz	XIAROTXHVUDMQK-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164433127	718969252	/nfs/dbraw/zinc/96/92/52/718969252.db2.gz	KBUXITWNVPNYBN-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164432339	718969624	/nfs/dbraw/zinc/96/96/24/718969624.db2.gz	GJPFAMRUYXBDID-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
Cc1nc(C#Cc2ccnc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669273	719394298	/nfs/dbraw/zinc/39/42/98/719394298.db2.gz	ULLFLWVNGUHSJZ-DNQXCXABSA-N	1	0	431.515	2.942	20	30		IFEDRO
Cc1nc(C#N)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1	ZINC001164682111	719683425	/nfs/dbraw/zinc/68/34/25/719683425.db2.gz	BSYQBTLPYCFYGT-IBGZPJMESA-N	1	0	432.572	2.750	20	30		IFEDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C(=O)OC)CC2	ZINC001164710833	720153384	/nfs/dbraw/zinc/15/33/84/720153384.db2.gz	DLPHYKGCYCCQIN-HXUWFJFHSA-N	1	0	435.528	2.642	20	30		IFEDRO
Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(C#N)c(C)c1Cl	ZINC001164713513	720169343	/nfs/dbraw/zinc/16/93/43/720169343.db2.gz	LTTOXSRLPKGIOM-GOSISDBHSA-N	1	0	429.956	2.568	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc(Cl)c(Cl)cc1C#N)[C@H]2COCC[NH+]1CCCC1	ZINC001164719198	720182786	/nfs/dbraw/zinc/18/27/86/720182786.db2.gz	UGBODXNSJQHWMI-INIZCTEOSA-N	1	0	436.347	2.605	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc3c(cc1C#N)CCCC3(C)C)[C@@H]2COCC[NH+]1CCCC1	ZINC001164716863	720206052	/nfs/dbraw/zinc/20/60/52/720206052.db2.gz	GCXOAXLHFMPUPJ-OAQYLSRUSA-N	1	0	449.603	2.912	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C3(C#N)CCOCC3)cn2)CC1	ZINC001164824687	720334925	/nfs/dbraw/zinc/33/49/25/720334925.db2.gz	CTGXKPKUAUOPSG-FGZHOGPDSA-N	1	0	437.588	2.565	20	30		IFEDRO
CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164741667	720723311	/nfs/dbraw/zinc/72/33/11/720723311.db2.gz	MVOSELGPULJHCX-MSOLQXFVSA-N	1	0	445.552	2.869	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@H]2C1	ZINC001164853753	720889607	/nfs/dbraw/zinc/88/96/07/720889607.db2.gz	CQJLLILNKJCXQD-PXNSSMCTSA-N	1	0	443.935	2.967	20	30		IFEDRO
N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc12	ZINC001164757207	720899949	/nfs/dbraw/zinc/89/99/49/720899949.db2.gz	UJRCYKMSHPHFJC-BWKNWUBXSA-N	1	0	443.555	2.980	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164868440	721065970	/nfs/dbraw/zinc/06/59/70/721065970.db2.gz	OLXOBFRJSGKNFI-GJZGRUSLSA-N	1	0	434.953	2.535	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896817	721426091	/nfs/dbraw/zinc/42/60/91/721426091.db2.gz	SDLVMIMVJZRMHT-YLJYHZDGSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896803	721426152	/nfs/dbraw/zinc/42/61/52/721426152.db2.gz	SDLVMIMVJZRMHT-FXAWDEMLSA-N	1	0	439.938	2.917	20	30		IFEDRO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H]2CCCO[C@H]12	ZINC001164803009	721573459	/nfs/dbraw/zinc/57/34/59/721573459.db2.gz	JECIBTVSJMCFJK-AKFKNWHVSA-N	1	0	433.556	2.917	20	30		IFEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1	ZINC001165009434	721740516	/nfs/dbraw/zinc/74/05/16/721740516.db2.gz	DASKSZDNJFFNDC-IBGZPJMESA-N	1	0	436.535	2.794	20	30		IFEDRO
CCOC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C#N	ZINC001164963188	722054262	/nfs/dbraw/zinc/05/42/62/722054262.db2.gz	IBOSODZTOQCDSQ-UHFFFAOYSA-N	1	0	449.555	2.952	20	30		IFEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)cc1	ZINC001164423533	718919188	/nfs/dbraw/zinc/91/91/88/718919188.db2.gz	IFDHMSDQFRBEEO-HXUWFJFHSA-N	1	0	449.889	2.799	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164435008	718968143	/nfs/dbraw/zinc/96/81/43/718968143.db2.gz	XIAROTXHVUDMQK-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164433798	718968449	/nfs/dbraw/zinc/96/84/49/718968449.db2.gz	NGCZGLDPFLCGAS-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
N#Cc1c2c(cnc1N1CCC3(CC1)COCCN3Cc1ccc(F)cc1)C[NH2+]CCC2	ZINC001164671061	719493078	/nfs/dbraw/zinc/49/30/78/719493078.db2.gz	ZFSUDYMZOGHIJL-UHFFFAOYSA-N	1	0	435.547	3.000	20	30		IFEDRO
Cc1nc(C#N)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1	ZINC001164686291	719675770	/nfs/dbraw/zinc/67/57/70/719675770.db2.gz	WXXBIPZZVWVDJD-LJQANCHMSA-N	1	0	432.572	2.750	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC	ZINC001164808457	720095362	/nfs/dbraw/zinc/09/53/62/720095362.db2.gz	HMHFHELYTOEGGL-HTAPYJJXSA-N	1	0	432.952	2.968	20	30		IFEDRO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1	ZINC001164711191	720140200	/nfs/dbraw/zinc/14/02/00/720140200.db2.gz	FYGVKVCFQHJMLL-NRFANRHFSA-N	1	0	435.572	2.900	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164817865	720285721	/nfs/dbraw/zinc/28/57/21/720285721.db2.gz	GGYUHGMTJNYNAK-HZPDHXFCSA-N	1	0	434.997	2.635	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC001164826780	720351853	/nfs/dbraw/zinc/35/18/53/720351853.db2.gz	LBDMUSXOJXIVOX-FGZHOGPDSA-N	1	0	448.527	2.926	20	30		IFEDRO
N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)cc1	ZINC001164743477	720768444	/nfs/dbraw/zinc/76/84/44/720768444.db2.gz	QJFYQGQABXWHFV-GMAHTHKFSA-N	1	0	442.523	2.859	20	30		IFEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001164747897	720803202	/nfs/dbraw/zinc/80/32/02/720803202.db2.gz	PQAIJMCFPIXJTM-WMZOPIPTSA-N	1	0	449.902	2.926	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@@H]2C1	ZINC001164853755	720889384	/nfs/dbraw/zinc/88/93/84/720889384.db2.gz	CQJLLILNKJCXQD-XLIONFOSSA-N	1	0	443.935	2.967	20	30		IFEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc([C@H](C#N)c5ccccc5F)nn4)C[C@H]3C2)cn1	ZINC001164768991	721160583	/nfs/dbraw/zinc/16/05/83/721160583.db2.gz	OPSWHSDFMUYVIP-SFHLNBCPSA-N	1	0	431.519	2.963	20	30		IFEDRO
Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C#N	ZINC001164868530	721266352	/nfs/dbraw/zinc/26/63/52/721266352.db2.gz	ARENVCDWVMWJSJ-UHFFFAOYSA-N	1	0	440.375	2.576	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890510	721387579	/nfs/dbraw/zinc/38/75/79/721387579.db2.gz	NRNWSXAPNCCIMV-JXFKEZNVSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883908	721409793	/nfs/dbraw/zinc/40/97/93/721409793.db2.gz	CQYRVDLDCNYZEV-ICSRJNTNSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887189	721415014	/nfs/dbraw/zinc/41/50/14/721415014.db2.gz	LJMHBDJHNKOTNR-FXAWDEMLSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883579	721415480	/nfs/dbraw/zinc/41/54/80/721415480.db2.gz	AZYJQXZHSCVGOP-PXNSSMCTSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2	ZINC001164789889	721457843	/nfs/dbraw/zinc/45/78/43/721457843.db2.gz	YCYVMLLBPXNPCB-HXUWFJFHSA-N	1	0	429.521	2.595	20	30		IFEDRO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1	ZINC001164789994	721467355	/nfs/dbraw/zinc/46/73/55/721467355.db2.gz	PVTYIXUCJGKFHH-OAQYLSRUSA-N	1	0	442.604	2.731	20	30		IFEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164976302	722108355	/nfs/dbraw/zinc/10/83/55/722108355.db2.gz	LBXFETAKHJQTIU-UGKGYDQZSA-N	1	0	435.528	2.561	20	30		IFEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CCC2	ZINC001165002208	722254901	/nfs/dbraw/zinc/25/49/01/722254901.db2.gz	LHFREQIUGJIFMZ-LJQANCHMSA-N	1	0	449.534	2.956	20	30		IFEDRO
Cc1nc(C#Cc2ccnc(N3CCN4CC[NH2+]C[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164398388	718834122	/nfs/dbraw/zinc/83/41/22/718834122.db2.gz	FJXGOPNMNABNNG-QHCPKHFHSA-N	1	0	430.531	2.517	20	30		IFEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1	ZINC001164424255	718919688	/nfs/dbraw/zinc/91/96/88/718919688.db2.gz	LZWXHYAYYALFOD-HXUWFJFHSA-N	1	0	449.889	2.799	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164435007	718968536	/nfs/dbraw/zinc/96/85/36/718968536.db2.gz	XIAROTXHVUDMQK-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164433126	718968877	/nfs/dbraw/zinc/96/88/77/718968877.db2.gz	KBUXITWNVPNYBN-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164434324	718969771	/nfs/dbraw/zinc/96/97/71/718969771.db2.gz	QBXUYTDAQXNZRF-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl	ZINC001164615547	719019646	/nfs/dbraw/zinc/01/96/46/719019646.db2.gz	IOVSCHIJRBOGAW-JLSDUUJJSA-N	1	0	447.873	2.943	20	30		IFEDRO
Cc1nc(C#Cc2ccnc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669274	719394405	/nfs/dbraw/zinc/39/44/05/719394405.db2.gz	ULLFLWVNGUHSJZ-RPWUZVMVSA-N	1	0	431.515	2.942	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2	ZINC001164685875	719720167	/nfs/dbraw/zinc/72/01/67/719720167.db2.gz	NRTVFDOZPSSTFY-UHFFFAOYSA-N	1	0	442.926	2.989	20	30		IFEDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C(=O)OC)CC2	ZINC001164710832	720152718	/nfs/dbraw/zinc/15/27/18/720152718.db2.gz	DLPHYKGCYCCQIN-FQEVSTJZSA-N	1	0	435.528	2.642	20	30		IFEDRO
Cn1nnc2c1CCN(c1cc(C#C[Si](C)(C)C)ccn1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164717207	720204953	/nfs/dbraw/zinc/20/49/53/720204953.db2.gz	GMQVUUSLDBJFJA-OAQYLSRUSA-N	1	0	438.652	2.655	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(C#N)c(Cl)n1)CCC2	ZINC001164813357	720211413	/nfs/dbraw/zinc/21/14/13/720211413.db2.gz	OUWGNSXWYKHLHH-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)ccc1C#N)CCC2	ZINC001164814727	720225349	/nfs/dbraw/zinc/22/53/49/720225349.db2.gz	XCYPQTUBGRMDFI-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732019	720441226	/nfs/dbraw/zinc/44/12/26/720441226.db2.gz	MTVIGQSNBDKDKL-JRGCBEDISA-N	1	0	428.496	2.658	20	30		IFEDRO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1	ZINC001164740900	720623550	/nfs/dbraw/zinc/62/35/50/720623550.db2.gz	JTUUFWPBZMCLFN-VWPQPMDRSA-N	1	0	427.512	2.572	20	30		IFEDRO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1	ZINC001164740893	720623605	/nfs/dbraw/zinc/62/36/05/720623605.db2.gz	JTUUFWPBZMCLFN-ONTIZHBOSA-N	1	0	427.512	2.572	20	30		IFEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164752595	720803028	/nfs/dbraw/zinc/80/30/28/720803028.db2.gz	ZIIJHCODRIRLOS-FUHWJXTLSA-N	1	0	449.902	2.926	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@@H]2C1	ZINC001164858190	720858113	/nfs/dbraw/zinc/85/81/13/720858113.db2.gz	RMQVEDWTAILTDN-QVKFZJNVSA-N	1	0	445.926	2.981	20	30		IFEDRO
COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N	ZINC001164752437	720879831	/nfs/dbraw/zinc/87/98/31/720879831.db2.gz	MZZHMACHODGSRA-XUZZJYLKSA-N	1	0	434.544	2.507	20	30		IFEDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2	ZINC001164750813	720946214	/nfs/dbraw/zinc/94/62/14/720946214.db2.gz	NUXVHNLFOLWDQG-UHFFFAOYSA-N	1	0	434.475	2.601	20	30		IFEDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)C1	ZINC001164873850	721292432	/nfs/dbraw/zinc/29/24/32/721292432.db2.gz	BXKBTFCFJSFTSQ-UHFFFAOYSA-N	1	0	439.604	2.574	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887191	721414385	/nfs/dbraw/zinc/41/43/85/721414385.db2.gz	LJMHBDJHNKOTNR-XLIONFOSSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886659	721415159	/nfs/dbraw/zinc/41/51/59/721415159.db2.gz	KLRLOUQUNIOMFE-FXAWDEMLSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898775	721431496	/nfs/dbraw/zinc/43/14/96/721431496.db2.gz	WYMYUNPKYDHJNH-RCZVLFRGSA-N	1	0	432.572	2.781	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2	ZINC001164788680	721460076	/nfs/dbraw/zinc/46/00/76/721460076.db2.gz	VMMIEXFYMFCZEP-QGZVFWFLSA-N	1	0	444.967	2.607	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)c(C#N)cc1F)CC2	ZINC001164788782	721465072	/nfs/dbraw/zinc/46/50/72/721465072.db2.gz	KQCJXAVFFFGSCI-LJQANCHMSA-N	1	0	432.540	2.835	20	30		IFEDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4cc(F)ccc4c(Cl)c2C#N)CC3)CC1	ZINC001164796551	721522409	/nfs/dbraw/zinc/52/24/09/721522409.db2.gz	ZUJZIYAQHKMRQQ-UHFFFAOYSA-N	1	0	439.926	2.863	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979160	722099022	/nfs/dbraw/zinc/09/90/22/722099022.db2.gz	HFRQTTZJUVJVCY-DOTOQJQBSA-N	1	0	430.965	2.846	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CCOCC1	ZINC001164972794	722137207	/nfs/dbraw/zinc/13/72/07/722137207.db2.gz	ANWGRSIIMXMERO-GMAHTHKFSA-N	1	0	433.556	2.776	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)CCOCC1	ZINC001164972777	722137237	/nfs/dbraw/zinc/13/72/37/722137237.db2.gz	ANWGRSIIMXMERO-FYYLOGMGSA-N	1	0	433.556	2.776	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164433790	718968327	/nfs/dbraw/zinc/96/83/27/718968327.db2.gz	NGCZGLDPFLCGAS-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1C#N)C2	ZINC001164434342	718970120	/nfs/dbraw/zinc/97/01/20/718970120.db2.gz	QHJHPCXHKPBXLQ-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)CC2	ZINC001164683671	719728108	/nfs/dbraw/zinc/72/81/08/719728108.db2.gz	CBZFLUBACSTASH-UHFFFAOYSA-N	1	0	436.585	2.918	20	30		IFEDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164711653	720150732	/nfs/dbraw/zinc/15/07/32/720150732.db2.gz	HRDDIILVJCBGAG-QFIPXVFZSA-N	1	0	433.556	2.928	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1[C@@H](C#N)C(=O)OC)C2	ZINC001164816729	720170359	/nfs/dbraw/zinc/17/03/59/720170359.db2.gz	MLODAXUYCIKDBR-CEYNDMKZSA-N	1	0	449.555	2.595	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820112	720187617	/nfs/dbraw/zinc/18/76/17/720187617.db2.gz	ZMOXSRWVIJWSPW-JXQFQVJHSA-N	1	0	441.576	2.610	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc(Cl)cc(Cl)c1C#N)[C@@H]2COCC[NH+]1CCCC1	ZINC001164714698	720203335	/nfs/dbraw/zinc/20/33/35/720203335.db2.gz	HPQMZZCNCNWIQQ-MRXNPFEDSA-N	1	0	436.347	2.605	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(C#N)c1)CCC2	ZINC001164813955	720222453	/nfs/dbraw/zinc/22/24/53/720222453.db2.gz	QCDSMGKWGPXOMD-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)ncc1C#N)CCC2	ZINC001164812019	720224780	/nfs/dbraw/zinc/22/47/80/720224780.db2.gz	CMLHDAPQLYWVMH-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(C#N)cc(Cl)n1)CCC2	ZINC001164812157	720225473	/nfs/dbraw/zinc/22/54/73/720225473.db2.gz	FRKDDOCNAJQYSZ-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CCC2	ZINC001164817340	720244559	/nfs/dbraw/zinc/24/45/59/720244559.db2.gz	QGOLYBRICOGKHC-UHFFFAOYSA-N	1	0	447.499	2.822	20	30		IFEDRO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164752601	720803253	/nfs/dbraw/zinc/80/32/53/720803253.db2.gz	ZIIJHCODRIRLOS-SJLPKXTDSA-N	1	0	449.902	2.926	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164856470	720834714	/nfs/dbraw/zinc/83/47/14/720834714.db2.gz	WRRTXMDJFPSKJU-DOMZBBRYSA-N	1	0	435.302	2.978	20	30		IFEDRO
N#Cc1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164755438	720869113	/nfs/dbraw/zinc/86/91/13/720869113.db2.gz	WYKDVOPUGHVJNZ-BWKNWUBXSA-N	1	0	443.555	2.980	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@H]2C1	ZINC001164852884	720888877	/nfs/dbraw/zinc/88/88/77/720888877.db2.gz	AGEIRWTYSPCUMK-FXAWDEMLSA-N	1	0	443.935	2.967	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887284	721401081	/nfs/dbraw/zinc/40/10/81/721401081.db2.gz	LUBCRMSNDMRRPY-UZLBHIALSA-N	1	0	439.938	2.917	20	30		IFEDRO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164803012	721574026	/nfs/dbraw/zinc/57/40/26/721574026.db2.gz	JECIBTVSJMCFJK-CQOQZXRMSA-N	1	0	433.556	2.917	20	30		IFEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164976290	722108179	/nfs/dbraw/zinc/10/81/79/722108179.db2.gz	LBXFETAKHJQTIU-DENIHFKCSA-N	1	0	435.528	2.561	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164433124	718969452	/nfs/dbraw/zinc/96/94/52/718969452.db2.gz	KBUXITWNVPNYBN-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164432334	718969798	/nfs/dbraw/zinc/96/97/98/718969798.db2.gz	GJDDFZDCISPDPU-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1nc(Cl)ccc1C#N)C2	ZINC001164434344	718969873	/nfs/dbraw/zinc/96/98/73/718969873.db2.gz	QHJHPCXHKPBXLQ-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
Cc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C#N)n1	ZINC001164681499	719671058	/nfs/dbraw/zinc/67/10/58/719671058.db2.gz	MBECRSMBNJVRSP-LJQANCHMSA-N	1	0	432.572	2.750	20	30		IFEDRO
Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cnc1C#N	ZINC001164680766	719675430	/nfs/dbraw/zinc/67/54/30/719675430.db2.gz	HKWOMPRGTGMUPA-IBGZPJMESA-N	1	0	432.572	2.750	20	30		IFEDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812271	720091113	/nfs/dbraw/zinc/09/11/13/720091113.db2.gz	QBPSHVWXBIHDFJ-KUHUBIRLSA-N	1	0	425.986	2.845	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC	ZINC001164808458	720095652	/nfs/dbraw/zinc/09/56/52/720095652.db2.gz	HMHFHELYTOEGGL-JTSKRJEESA-N	1	0	432.952	2.968	20	30		IFEDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1[C@@H](C#N)C(=O)OC)C2	ZINC001164816731	720170906	/nfs/dbraw/zinc/17/09/06/720170906.db2.gz	MLODAXUYCIKDBR-OSWQYVSFSA-N	1	0	449.555	2.595	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc(C#N)c(Cl)cc1Cl)[C@@H]2COCC[NH+]1CCCC1	ZINC001164715299	720202672	/nfs/dbraw/zinc/20/26/72/720202672.db2.gz	KSLUTBJMWQHFTC-QGZVFWFLSA-N	1	0	436.347	2.605	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(C#N)cnc3cnc(Cl)cc31)CCC2	ZINC001164813400	720214928	/nfs/dbraw/zinc/21/49/28/720214928.db2.gz	PIDKDMRVVCFAJX-UHFFFAOYSA-N	1	0	437.935	2.962	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164817867	720286424	/nfs/dbraw/zinc/28/64/24/720286424.db2.gz	GGYUHGMTJNYNAK-JKSUJKDBSA-N	1	0	434.997	2.635	20	30		IFEDRO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164732020	720442627	/nfs/dbraw/zinc/44/26/27/720442627.db2.gz	MTVIGQSNBDKDKL-QMMLZNLJSA-N	1	0	428.496	2.658	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@H]2C1	ZINC001164861439	720863686	/nfs/dbraw/zinc/86/36/86/720863686.db2.gz	XWZXOEOHPXGKMF-AZUAARDMSA-N	1	0	439.585	2.911	20	30		IFEDRO
COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N	ZINC001164752433	720880003	/nfs/dbraw/zinc/88/00/03/720880003.db2.gz	MZZHMACHODGSRA-QPPBQGQZSA-N	1	0	434.544	2.507	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891035	721384007	/nfs/dbraw/zinc/38/40/07/721384007.db2.gz	QDDMFDVCAORAMS-XLIONFOSSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887780	721390706	/nfs/dbraw/zinc/39/07/06/721390706.db2.gz	IIHFKWUKBFJARV-WZONZLPQSA-N	1	0	440.979	2.920	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887190	721414950	/nfs/dbraw/zinc/41/49/50/721414950.db2.gz	LJMHBDJHNKOTNR-PXNSSMCTSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1	ZINC001165009435	721739868	/nfs/dbraw/zinc/73/98/68/721739868.db2.gz	DASKSZDNJFFNDC-LJQANCHMSA-N	1	0	436.535	2.794	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164976428	722107622	/nfs/dbraw/zinc/10/76/22/722107622.db2.gz	DAEWOMFKJBSBEE-NVXWUHKLSA-N	1	0	448.980	2.782	20	30		IFEDRO
Cc1nc(CN2CCO[C@@H]3CCN(c4ncc5c(c4C#N)CCC[NH2+]C5)CC[C@@H]32)cs1	ZINC001164988891	722174158	/nfs/dbraw/zinc/17/41/58/722174158.db2.gz	RVVAGEUFCYPIDU-FCHUYYIVSA-N	1	0	438.601	2.624	20	30		IFEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1	ZINC001164424254	718918949	/nfs/dbraw/zinc/91/89/49/718918949.db2.gz	LZWXHYAYYALFOD-FQEVSTJZSA-N	1	0	449.889	2.799	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164433795	718968419	/nfs/dbraw/zinc/96/84/19/718968419.db2.gz	NGCZGLDPFLCGAS-HUUCEWRRSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164432332	718970086	/nfs/dbraw/zinc/97/00/86/718970086.db2.gz	GJDDFZDCISPDPU-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164434321	718970194	/nfs/dbraw/zinc/97/01/94/718970194.db2.gz	QBXUYTDAQXNZRF-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164435160	718970201	/nfs/dbraw/zinc/97/02/01/718970201.db2.gz	ZMXOGUZQIGIVBO-CABCVRRESA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C4(C#N)CCOCC4)cn3)CC2)CC1	ZINC001164616367	719030735	/nfs/dbraw/zinc/03/07/35/719030735.db2.gz	CBTCXCHBNNCAJO-UHFFFAOYSA-N	1	0	426.561	2.897	20	30		IFEDRO
Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C#N)n1	ZINC001164686901	719676056	/nfs/dbraw/zinc/67/60/56/719676056.db2.gz	YWCDLKVKRBDLQL-LJQANCHMSA-N	1	0	432.572	2.750	20	30		IFEDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccnc(Cl)c1C#N)CCC2	ZINC001164815215	720213140	/nfs/dbraw/zinc/21/31/40/720213140.db2.gz	XBZJZRFRWGLQEJ-UHFFFAOYSA-N	1	0	436.894	2.959	20	30		IFEDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C3(C#N)CCOCC3)cn2)CC1	ZINC001164824692	720334689	/nfs/dbraw/zinc/33/46/89/720334689.db2.gz	CTGXKPKUAUOPSG-YADHBBJMSA-N	1	0	437.588	2.565	20	30		IFEDRO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1	ZINC001164740896	720625738	/nfs/dbraw/zinc/62/57/38/720625738.db2.gz	JTUUFWPBZMCLFN-URVUXULASA-N	1	0	427.512	2.572	20	30		IFEDRO
CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164741689	720723353	/nfs/dbraw/zinc/72/33/53/720723353.db2.gz	MVOSELGPULJHCX-ZWKOTPCHSA-N	1	0	445.552	2.869	20	30		IFEDRO
CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164741681	720724217	/nfs/dbraw/zinc/72/42/17/720724217.db2.gz	MVOSELGPULJHCX-ROUUACIJSA-N	1	0	445.552	2.869	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164744742	720808830	/nfs/dbraw/zinc/80/88/30/720808830.db2.gz	IFPUYIVSXGZQGR-BFYDXBDKSA-N	1	0	444.996	2.694	20	30		IFEDRO
N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743619	720843505	/nfs/dbraw/zinc/84/35/05/720843505.db2.gz	JQGYLDOCABWENV-YMPZKCBVSA-N	1	0	447.587	2.624	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001164858491	720889329	/nfs/dbraw/zinc/88/93/29/720889329.db2.gz	KYKHLXDPBIEJQS-XLIONFOSSA-N	1	0	443.935	2.967	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164868438	721066197	/nfs/dbraw/zinc/06/61/97/721066197.db2.gz	OLXOBFRJSGKNFI-CABCVRRESA-N	1	0	434.953	2.535	20	30		IFEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc([C@@H](C#N)c5ccccc5F)nn4)C[C@H]3C2)cn1	ZINC001164768989	721159674	/nfs/dbraw/zinc/15/96/74/721159674.db2.gz	OPSWHSDFMUYVIP-SBHAEUEKSA-N	1	0	431.519	2.963	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890511	721387824	/nfs/dbraw/zinc/38/78/24/721387824.db2.gz	NRNWSXAPNCCIMV-OXJNMPFZSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887778	721390534	/nfs/dbraw/zinc/39/05/34/721390534.db2.gz	IIHFKWUKBFJARV-JPYJTQIMSA-N	1	0	440.979	2.920	20	30		IFEDRO
Cc1ccc([C@H](C#N)c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)cc1	ZINC001165008802	721730817	/nfs/dbraw/zinc/73/08/17/721730817.db2.gz	RFZGBWCFFONNON-NRFANRHFSA-N	1	0	432.572	2.964	20	30		IFEDRO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164976294	722108233	/nfs/dbraw/zinc/10/82/33/722108233.db2.gz	LBXFETAKHJQTIU-KNQAVFIVSA-N	1	0	435.528	2.561	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164432333	718969633	/nfs/dbraw/zinc/96/96/33/718969633.db2.gz	GJDDFZDCISPDPU-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164432337	718969935	/nfs/dbraw/zinc/96/99/35/718969935.db2.gz	GJPFAMRUYXBDID-GJZGRUSLSA-N	1	0	438.784	2.673	20	30		IFEDRO
Cc1nc(C#Cc2ccnc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669275	719393969	/nfs/dbraw/zinc/39/39/69/719393969.db2.gz	ULLFLWVNGUHSJZ-ZEQRLZLVSA-N	1	0	431.515	2.942	20	30		IFEDRO
Cc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(C#N)n1	ZINC001164681498	719671424	/nfs/dbraw/zinc/67/14/24/719671424.db2.gz	MBECRSMBNJVRSP-IBGZPJMESA-N	1	0	432.572	2.750	20	30		IFEDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(CC#N)n3)CC2)c2ccccc21	ZINC001164680388	719675530	/nfs/dbraw/zinc/67/55/30/719675530.db2.gz	DLCWVYYFACZPGC-LJQANCHMSA-N	1	0	432.572	2.636	20	30		IFEDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164711649	720150342	/nfs/dbraw/zinc/15/03/42/720150342.db2.gz	HRDDIILVJCBGAG-JOCHJYFZSA-N	1	0	433.556	2.928	20	30		IFEDRO
Cn1nnc2c1CCN(c1cc(C#C[Si](C)(C)C)ccn1)[C@H]2COCC[NH+]1CCCC1	ZINC001164717206	720205224	/nfs/dbraw/zinc/20/52/24/720205224.db2.gz	GMQVUUSLDBJFJA-NRFANRHFSA-N	1	0	438.652	2.655	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164817859	720285990	/nfs/dbraw/zinc/28/59/90/720285990.db2.gz	GGYUHGMTJNYNAK-CVEARBPZSA-N	1	0	434.997	2.635	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1	ZINC001164817863	720286253	/nfs/dbraw/zinc/28/62/53/720286253.db2.gz	GGYUHGMTJNYNAK-HOTGVXAUSA-N	1	0	434.997	2.635	20	30		IFEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001164747892	720802797	/nfs/dbraw/zinc/80/27/97/720802797.db2.gz	PQAIJMCFPIXJTM-SJLPKXTDSA-N	1	0	449.902	2.926	20	30		IFEDRO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164750363	720803046	/nfs/dbraw/zinc/80/30/46/720803046.db2.gz	VKGUORFIWUYJFJ-IRXDYDNUSA-N	1	0	449.902	2.926	20	30		IFEDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@H]2C1	ZINC001164858194	720858149	/nfs/dbraw/zinc/85/81/49/720858149.db2.gz	RMQVEDWTAILTDN-YCRPNKLZSA-N	1	0	445.926	2.981	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@H]2C1	ZINC001164858484	720889481	/nfs/dbraw/zinc/88/94/81/720889481.db2.gz	KYKHLXDPBIEJQS-PXNSSMCTSA-N	1	0	443.935	2.967	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866587	721069510	/nfs/dbraw/zinc/06/95/10/721069510.db2.gz	FSNYPSGXCJMKJE-QZTJIDSGSA-N	1	0	441.919	2.658	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866589	721069592	/nfs/dbraw/zinc/06/95/92/721069592.db2.gz	FSNYPSGXCJMKJE-ZWKOTPCHSA-N	1	0	441.919	2.658	20	30		IFEDRO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866588	721070564	/nfs/dbraw/zinc/07/05/64/721070564.db2.gz	FSNYPSGXCJMKJE-ROUUACIJSA-N	1	0	441.919	2.658	20	30		IFEDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc([C@H](C#N)c5ccccc5F)nn4)C[C@@H]3C2)cn1	ZINC001164768994	721160264	/nfs/dbraw/zinc/16/02/64/721160264.db2.gz	OPSWHSDFMUYVIP-SVFBPWRDSA-N	1	0	431.519	2.963	20	30		IFEDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891029	721384361	/nfs/dbraw/zinc/38/43/61/721384361.db2.gz	QDDMFDVCAORAMS-FXAWDEMLSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890512	721388116	/nfs/dbraw/zinc/38/81/16/721388116.db2.gz	NRNWSXAPNCCIMV-OXQOHEQNSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883909	721409449	/nfs/dbraw/zinc/40/94/49/721409449.db2.gz	CQYRVDLDCNYZEV-QUCCMNQESA-N	1	0	439.938	2.917	20	30		IFEDRO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1	ZINC001164788713	721471377	/nfs/dbraw/zinc/47/13/77/721471377.db2.gz	JAPXVPMTLDGXBH-LJQANCHMSA-N	1	0	438.576	2.516	20	30		IFEDRO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H]2CCCO[C@H]12	ZINC001164803019	721573530	/nfs/dbraw/zinc/57/35/30/721573530.db2.gz	JECIBTVSJMCFJK-ZDXQCDESSA-N	1	0	433.556	2.917	20	30		IFEDRO
Cc1ccc([C@@H](C#N)c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)cc1	ZINC001165008803	721731364	/nfs/dbraw/zinc/73/13/64/721731364.db2.gz	RFZGBWCFFONNON-OAQYLSRUSA-N	1	0	432.572	2.964	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164976427	722107335	/nfs/dbraw/zinc/10/73/35/722107335.db2.gz	DAEWOMFKJBSBEE-DOTOQJQBSA-N	1	0	448.980	2.782	20	30		IFEDRO
CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164976430	722107490	/nfs/dbraw/zinc/10/74/90/722107490.db2.gz	DAEWOMFKJBSBEE-RDJZCZTQSA-N	1	0	448.980	2.782	20	30		IFEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1c(C#N)cnc3cnc(Cl)cc31)CCC2	ZINC001165000454	722251356	/nfs/dbraw/zinc/25/13/56/722251356.db2.gz	PURYAYIQHAFUCZ-UHFFFAOYSA-N	1	0	425.924	2.840	20	30		IFEDRO
CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164435165	718969848	/nfs/dbraw/zinc/96/98/48/718969848.db2.gz	ZMXOGUZQIGIVBO-LSDHHAIUSA-N	1	0	438.784	2.673	20	30		IFEDRO
CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl	ZINC001164615541	719019446	/nfs/dbraw/zinc/01/94/46/719019446.db2.gz	IOVSCHIJRBOGAW-FHLIZLRMSA-N	1	0	447.873	2.943	20	30		IFEDRO
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2	ZINC001164681561	719630250	/nfs/dbraw/zinc/63/02/50/719630250.db2.gz	IAONVAVXIWYIIF-UHFFFAOYSA-N	1	0	439.636	2.769	20	30		IFEDRO
Cc1ncc(C#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1	ZINC001164680635	719664806	/nfs/dbraw/zinc/66/48/06/719664806.db2.gz	GOAMNQKMSYQNRN-IBGZPJMESA-N	1	0	432.572	2.750	20	30		IFEDRO
Cc1nc(C#N)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1	ZINC001164686288	719675748	/nfs/dbraw/zinc/67/57/48/719675748.db2.gz	WXXBIPZZVWVDJD-IBGZPJMESA-N	1	0	432.572	2.750	20	30		IFEDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2	ZINC001164689606	719754861	/nfs/dbraw/zinc/75/48/61/719754861.db2.gz	JANHRKATESTMIO-UHFFFAOYSA-N	1	0	440.935	2.975	20	30		IFEDRO
CCCc1cc(C#N)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1Cl	ZINC001164716529	720186918	/nfs/dbraw/zinc/18/69/18/720186918.db2.gz	GPZPLALPAUJZTK-LJQANCHMSA-N	1	0	443.983	2.904	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc(C#N)c(Cl)cc1Cl)[C@H]2COCC[NH+]1CCCC1	ZINC001164715297	720202410	/nfs/dbraw/zinc/20/24/10/720202410.db2.gz	KSLUTBJMWQHFTC-KRWDZBQOSA-N	1	0	436.347	2.605	20	30		IFEDRO
Cn1nnc2c1CCN(c1nc(Cl)cc(Cl)c1C#N)[C@H]2COCC[NH+]1CCCC1	ZINC001164714686	720203499	/nfs/dbraw/zinc/20/34/99/720203499.db2.gz	HPQMZZCNCNWIQQ-INIZCTEOSA-N	1	0	436.347	2.605	20	30		IFEDRO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001164747888	720802987	/nfs/dbraw/zinc/80/29/87/720802987.db2.gz	PQAIJMCFPIXJTM-FUHWJXTLSA-N	1	0	449.902	2.926	20	30		IFEDRO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164744747	720808681	/nfs/dbraw/zinc/80/86/81/720808681.db2.gz	IFPUYIVSXGZQGR-HLLBOEOZSA-N	1	0	444.996	2.694	20	30		IFEDRO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747737	720845136	/nfs/dbraw/zinc/84/51/36/720845136.db2.gz	RMUYUJSBSKJUHJ-WMTXJRDZSA-N	1	0	440.555	2.986	20	30		IFEDRO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164747734	720845291	/nfs/dbraw/zinc/84/52/91/720845291.db2.gz	RMUYUJSBSKJUHJ-CQOQZXRMSA-N	1	0	440.555	2.986	20	30		IFEDRO
N#Cc1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164755439	720868905	/nfs/dbraw/zinc/86/89/05/720868905.db2.gz	WYKDVOPUGHVJNZ-OFVILXPXSA-N	1	0	443.555	2.980	20	30		IFEDRO
COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N	ZINC001164752436	720880189	/nfs/dbraw/zinc/88/01/89/720880189.db2.gz	MZZHMACHODGSRA-URXFXBBRSA-N	1	0	434.544	2.507	20	30		IFEDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001164852888	720888679	/nfs/dbraw/zinc/88/86/79/720888679.db2.gz	AGEIRWTYSPCUMK-XLIONFOSSA-N	1	0	443.935	2.967	20	30		IFEDRO
COc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164771387	721160879	/nfs/dbraw/zinc/16/08/79/721160879.db2.gz	SMLCXAQYGHIJNK-GJZGRUSLSA-N	1	0	436.894	2.852	20	30		IFEDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4ccccc4c(Cl)c3C#N)CC2)C1	ZINC001164875359	721283294	/nfs/dbraw/zinc/28/32/94/721283294.db2.gz	VUBSYXWLYLVZKI-UHFFFAOYSA-N	1	0	441.963	2.767	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887282	721401267	/nfs/dbraw/zinc/40/12/67/721401267.db2.gz	LUBCRMSNDMRRPY-OXQOHEQNSA-N	1	0	439.938	2.917	20	30		IFEDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887194	721414619	/nfs/dbraw/zinc/41/46/19/721414619.db2.gz	LJMHBDJHNKOTNR-YLJYHZDGSA-N	1	0	439.938	2.917	20	30		IFEDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2	ZINC001164790056	721459646	/nfs/dbraw/zinc/45/96/46/721459646.db2.gz	ZFYQYZYEQPCQDV-LJQANCHMSA-N	1	0	429.521	2.595	20	30		IFEDRO
C[NH+](C)CCOCc1ncn2c1CN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CCC2	ZINC001165004128	722257863	/nfs/dbraw/zinc/25/78/63/722257863.db2.gz	NNNTYYSZHHSHRN-UHFFFAOYSA-N	1	0	435.488	2.700	20	30		IFEDRO