smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C[N@H+]2CCCC23CCN(c2nc(-c4ccncc4)ccc2C#N)CC3)cs1	ZINC001164691554	719813487	/nfs/dbraw/zinc/81/34/87/719813487.db2.gz	GZKBHUJHMWPVRH-UHFFFAOYSA-N	1	1	430.581	4.415	20	30		IIEDMO
C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164696216	719895180	/nfs/dbraw/zinc/89/51/80/719895180.db2.gz	CHJLHRAACKANOU-UHFFFAOYSA-N	1	1	425.674	4.243	20	30		IIEDMO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1F	ZINC001164726490	720390106	/nfs/dbraw/zinc/39/01/06/720390106.db2.gz	OVJPZFXQAQEIQW-NHCUHLMSSA-N	1	1	434.906	4.056	20	30		IIEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC[C@@H]2C1	ZINC001164856034	720859072	/nfs/dbraw/zinc/85/90/72/720859072.db2.gz	NVLFITZQAYKKDR-DENIHFKCSA-N	1	1	448.592	4.008	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@@H]12	ZINC001164805253	721588194	/nfs/dbraw/zinc/58/81/94/721588194.db2.gz	LENNTUYEVPKHNZ-WMTXJRDZSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@@H]21	ZINC001165027304	721802856	/nfs/dbraw/zinc/80/28/56/721802856.db2.gz	VLCAIXWNONEWKF-ZAAXVRCTSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@@H]21	ZINC001165024995	721803969	/nfs/dbraw/zinc/80/39/69/721803969.db2.gz	MZDNAVJNIXDYMR-XUEUYAKLSA-N	1	1	432.959	4.287	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@H]21	ZINC001165027178	721808174	/nfs/dbraw/zinc/80/81/74/721808174.db2.gz	UANGGVVSDBRBTB-XAUMDUMWSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@@H]21	ZINC001165029600	721813154	/nfs/dbraw/zinc/81/31/54/721813154.db2.gz	ZTFLPXDIMHGXOO-RYGJVYDSSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]21	ZINC001165028906	721814119	/nfs/dbraw/zinc/81/41/19/721814119.db2.gz	YBYOYZVDALDIOY-QXAKKESOSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1Cl	ZINC001165043548	721926679	/nfs/dbraw/zinc/92/66/79/721926679.db2.gz	LISCAGQXYJQRPJ-AWEZNQCLSA-N	1	1	441.309	4.259	20	30		IIEDMO
N#C[C@H](c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1)c1ccccc1F	ZINC001164628909	719085965	/nfs/dbraw/zinc/08/59/65/719085965.db2.gz	URKLBMYKWLGWHB-JLRUASKGSA-N	1	1	427.527	4.372	20	30		IIEDMO
N#Cc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl	ZINC001164695663	719886605	/nfs/dbraw/zinc/88/66/05/719886605.db2.gz	PRZIOJFYJVPRTC-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1	ZINC001164730604	720478223	/nfs/dbraw/zinc/47/82/23/720478223.db2.gz	UPDFIZSLVKWUDL-VQTJNVASSA-N	1	1	432.915	4.042	20	30		IIEDMO
CC(C)c1ccc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164753923	720875251	/nfs/dbraw/zinc/87/52/51/720875251.db2.gz	QKNKEFKUUJEYKN-SQHAQQRYSA-N	1	1	445.611	4.227	20	30		IIEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)cc1	ZINC001164863708	720926675	/nfs/dbraw/zinc/92/66/75/720926675.db2.gz	YSOHQKBIVXJDKJ-KNQAVFIVSA-N	1	1	429.572	4.058	20	30		IIEDMO
C[Si](C)(C)C#Cc1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164904348	721714366	/nfs/dbraw/zinc/71/43/66/721714366.db2.gz	BZYFPFBBLUMYRO-HSZRJFAPSA-N	1	1	440.614	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@@H]21	ZINC001165027745	721811051	/nfs/dbraw/zinc/81/10/51/721811051.db2.gz	VSODCBCQNVVQKR-RYGJVYDSSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@@H]21	ZINC001165025485	721819541	/nfs/dbraw/zinc/81/95/41/721819541.db2.gz	MXPWDVRPZLSCCW-MOXGXCLJSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)CC3)C2)cc1	ZINC001164940804	721926025	/nfs/dbraw/zinc/92/60/25/721926025.db2.gz	UZPZRCFZKSQETJ-UHFFFAOYSA-N	1	1	446.929	4.331	20	30		IIEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1	ZINC001164953315	722013141	/nfs/dbraw/zinc/01/31/41/722013141.db2.gz	FCBQJNOPGMVPGA-DEOSSOPVSA-N	1	1	438.579	4.328	20	30		IIEDMO
C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1	ZINC001164707880	719907509	/nfs/dbraw/zinc/90/75/09/719907509.db2.gz	YAYYWHUGPNNSCE-UHFFFAOYSA-N	1	1	425.674	4.243	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2	ZINC001164841008	720669355	/nfs/dbraw/zinc/66/93/55/720669355.db2.gz	OPRMLUDQZGMBRO-HXUWFJFHSA-N	1	1	447.970	4.415	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2	ZINC001164842312	720704365	/nfs/dbraw/zinc/70/43/65/720704365.db2.gz	YDUJSCFMDTZZBQ-IBGZPJMESA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@@H]2CCCO[C@H]12	ZINC001164809376	721575021	/nfs/dbraw/zinc/57/50/21/721575021.db2.gz	WQIXBJMQMUKPIT-XPNTWCBSSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@@H]2CCCO[C@H]12	ZINC001164809376	721575023	/nfs/dbraw/zinc/57/50/23/721575023.db2.gz	WQIXBJMQMUKPIT-XPNTWCBSSA-N	1	1	433.943	4.023	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(C#N)c(Cl)c2c1	ZINC001164806895	721592069	/nfs/dbraw/zinc/59/20/69/721592069.db2.gz	NNHACWSQZLUOCQ-WPFOTENUSA-N	1	1	447.970	4.332	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(C#N)c(Cl)c2c1	ZINC001164806895	721592073	/nfs/dbraw/zinc/59/20/73/721592073.db2.gz	NNHACWSQZLUOCQ-WPFOTENUSA-N	1	1	447.970	4.332	20	30		IIEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164907853	721721708	/nfs/dbraw/zinc/72/17/08/721721708.db2.gz	UUURFZKZSIZIHA-XMMPIXPASA-N	1	1	446.505	4.148	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164910938	721759380	/nfs/dbraw/zinc/75/93/80/721759380.db2.gz	USCJUIZJJKFZHE-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164910938	721759384	/nfs/dbraw/zinc/75/93/84/721759384.db2.gz	USCJUIZJJKFZHE-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
N#C[C@H](c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1)c1ccccc1F	ZINC001164628910	719085881	/nfs/dbraw/zinc/08/58/81/719085881.db2.gz	URKLBMYKWLGWHB-KJWPAHLWSA-N	1	1	427.527	4.372	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#C[Si](C)(C)C)ccn1)CC2	ZINC001164713026	720154621	/nfs/dbraw/zinc/15/46/21/720154621.db2.gz	PAZLPSWSLUOKGD-XMMPIXPASA-N	1	1	448.687	4.213	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164730715	720490470	/nfs/dbraw/zinc/49/04/70/720490470.db2.gz	VAIQAPGQVIUMBL-UXHICEINSA-N	1	1	425.870	4.286	20	30		IIEDMO
CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl	ZINC001164838046	720558259	/nfs/dbraw/zinc/55/82/59/720558259.db2.gz	NLQQDMRZLYLHJE-PCCBWWKXSA-N	1	1	426.996	4.133	20	30		IIEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)[C@H]2C	ZINC001164860376	721005229	/nfs/dbraw/zinc/00/52/29/721005229.db2.gz	NLEDAXYDXITWJZ-FQEVSTJZSA-N	1	1	444.583	4.345	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]21	ZINC001165027175	721808258	/nfs/dbraw/zinc/80/82/58/721808258.db2.gz	UANGGVVSDBRBTB-RIFZZMRRSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]21	ZINC001165027150	721813522	/nfs/dbraw/zinc/81/35/22/721813522.db2.gz	SOIIMGDYKHUOOA-QXAKKESOSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C[C@H]21	ZINC001165029450	721819395	/nfs/dbraw/zinc/81/93/95/721819395.db2.gz	ZDFZOWSNNNLIFZ-JMUQELJHSA-N	1	1	446.599	4.070	20	30		IIEDMO
C=CCOC[C@@H]1CCC[C@]12CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2	ZINC001164978962	722167969	/nfs/dbraw/zinc/16/79/69/722167969.db2.gz	SNJHDJXAEXDZPR-IGKIAQTJSA-N	1	1	433.596	4.218	20	30		IIEDMO
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164659509	719354802	/nfs/dbraw/zinc/35/48/02/719354802.db2.gz	PRGUDQSUGPZQDK-UHFFFAOYSA-N	1	1	426.568	4.151	20	30		IIEDMO
CCCc1cc(C#N)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl	ZINC001164699299	719894486	/nfs/dbraw/zinc/89/44/86/719894486.db2.gz	ZJKAZQDRFGHFPY-UHFFFAOYSA-N	1	1	431.005	4.492	20	30		IIEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2	ZINC001164815178	720201423	/nfs/dbraw/zinc/20/14/23/720201423.db2.gz	WRYDPSCUKYYMIG-QMHKHESXSA-N	1	1	428.939	4.084	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4cccs4)ccc3C#N)CC[C@@H]21	ZINC001164838145	720610390	/nfs/dbraw/zinc/61/03/90/720610390.db2.gz	JZOZLGXMKLKNPR-ONTIZHBOSA-N	1	1	432.597	4.256	20	30		IIEDMO
N#Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)cc1Cl	ZINC001164912861	721733479	/nfs/dbraw/zinc/73/34/79/721733479.db2.gz	QRSDJDBLPHZBDX-IBGZPJMESA-N	1	1	438.309	4.393	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164907840	721750889	/nfs/dbraw/zinc/75/08/89/721750889.db2.gz	BRDGAOOZKXIBBI-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164907840	721750894	/nfs/dbraw/zinc/75/08/94/721750894.db2.gz	BRDGAOOZKXIBBI-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)c(Cl)cc1C#N)C2	ZINC001164911719	721754613	/nfs/dbraw/zinc/75/46/13/721754613.db2.gz	XTJCHEDDZAPQDR-UHFFFAOYSA-N	1	1	428.323	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)c(Cl)cc1C#N)C2	ZINC001164911719	721754616	/nfs/dbraw/zinc/75/46/16/721754616.db2.gz	XTJCHEDDZAPQDR-UHFFFAOYSA-N	1	1	428.323	4.443	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164909051	721755412	/nfs/dbraw/zinc/75/54/12/721755412.db2.gz	DWJANNBODURLFF-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164909051	721755419	/nfs/dbraw/zinc/75/54/19/721755419.db2.gz	DWJANNBODURLFF-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
Cc1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971625	722158668	/nfs/dbraw/zinc/15/86/68/722158668.db2.gz	CJLJGLMEONSYCP-WMZHIEFXSA-N	1	1	447.970	4.191	20	30		IIEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)C2	ZINC001164815483	720207760	/nfs/dbraw/zinc/20/77/60/720207760.db2.gz	ZYOUEQNTJFJOBJ-IQMFZBJNSA-N	1	1	446.929	4.223	20	30		IIEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164725810	720476560	/nfs/dbraw/zinc/47/65/60/720476560.db2.gz	KLQBCFLPENJZRP-RBUKOAKNSA-N	1	1	432.915	4.042	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2	ZINC001164840535	720667153	/nfs/dbraw/zinc/66/71/53/720667153.db2.gz	NFUQEVOTBSMMMV-SFHVURJKSA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2	ZINC001164839873	720689790	/nfs/dbraw/zinc/68/97/90/720689790.db2.gz	CKOBGFGSVBPARS-HXUWFJFHSA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2	ZINC001164841299	720691604	/nfs/dbraw/zinc/69/16/04/720691604.db2.gz	JAZXNCPXRFRXCX-FQEVSTJZSA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2	ZINC001164841300	720691812	/nfs/dbraw/zinc/69/18/12/720691812.db2.gz	JAZXNCPXRFRXCX-HXUWFJFHSA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164802325	721531315	/nfs/dbraw/zinc/53/13/15/721531315.db2.gz	GADMIKUIHYMHLX-UBFVSLLYSA-N	1	1	443.526	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164802325	721531321	/nfs/dbraw/zinc/53/13/21/721531321.db2.gz	GADMIKUIHYMHLX-UBFVSLLYSA-N	1	1	443.526	4.023	20	30		IIEDMO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164908036	721566886	/nfs/dbraw/zinc/56/68/86/721566886.db2.gz	PKGRREKDRCUVLJ-SJLPKXTDSA-N	1	1	440.881	4.380	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12	ZINC001164801788	721592194	/nfs/dbraw/zinc/59/21/94/721592194.db2.gz	FTQQBCFXVXOLJA-HFMPRLQTSA-N	1	1	447.970	4.332	20	30		IIEDMO
N#Cc1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164907866	721705227	/nfs/dbraw/zinc/70/52/27/721705227.db2.gz	UWRGOLRDGRDYEJ-IBGZPJMESA-N	1	1	438.309	4.393	20	30		IIEDMO
C[Si](C)(C)C#Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1	ZINC001164910650	721736060	/nfs/dbraw/zinc/73/60/60/721736060.db2.gz	HKRWCWBRZIYHEY-QHCPKHFHSA-N	1	1	440.614	4.443	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)ccc1C#N)C2	ZINC001164912303	721759793	/nfs/dbraw/zinc/75/97/93/721759793.db2.gz	XVMDBHTVWOHIDI-UHFFFAOYSA-N	1	1	436.519	4.198	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)ccc1C#N)C2	ZINC001164912303	721759797	/nfs/dbraw/zinc/75/97/97/721759797.db2.gz	XVMDBHTVWOHIDI-UHFFFAOYSA-N	1	1	436.519	4.198	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@@H]21	ZINC001165028820	721801704	/nfs/dbraw/zinc/80/17/04/721801704.db2.gz	ZTPHFUKVTJGDNG-YTQUADARSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12	ZINC001164972772	722159085	/nfs/dbraw/zinc/15/90/85/722159085.db2.gz	JOKODPDEHRDDHV-DENIHFKCSA-N	1	1	447.970	4.191	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cl)c1C#N)CC2	ZINC001164712475	720153288	/nfs/dbraw/zinc/15/32/88/720153288.db2.gz	MKBANNBYMLCCKN-QGZVFWFLSA-N	1	1	446.382	4.163	20	30		IIEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)C2	ZINC001164815485	720206933	/nfs/dbraw/zinc/20/69/33/720206933.db2.gz	ZYOUEQNTJFJOBJ-NPMXOYFQSA-N	1	1	446.929	4.223	20	30		IIEDMO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1F	ZINC001164726491	720389724	/nfs/dbraw/zinc/38/97/24/720389724.db2.gz	OVJPZFXQAQEIQW-RTWAWAEBSA-N	1	1	434.906	4.056	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCCC4(C)C)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164842602	720645997	/nfs/dbraw/zinc/64/59/97/720645997.db2.gz	SLEVGPQFSQAMBQ-RJGXRXQPSA-N	1	1	432.616	4.141	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2	ZINC001164796371	721498796	/nfs/dbraw/zinc/49/87/96/721498796.db2.gz	RYHUQHBIPGHMNR-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164802321	721531026	/nfs/dbraw/zinc/53/10/26/721531026.db2.gz	GADMIKUIHYMHLX-ISJGIBHGSA-N	1	1	443.526	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164802321	721531027	/nfs/dbraw/zinc/53/10/27/721531027.db2.gz	GADMIKUIHYMHLX-ISJGIBHGSA-N	1	1	443.526	4.023	20	30		IIEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164907848	721722145	/nfs/dbraw/zinc/72/21/45/721722145.db2.gz	UUURFZKZSIZIHA-DEOSSOPVSA-N	1	1	446.505	4.148	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164910684	721755710	/nfs/dbraw/zinc/75/57/10/721755710.db2.gz	PWJGXCSGOAOPMM-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164910684	721755713	/nfs/dbraw/zinc/75/57/13/721755713.db2.gz	PWJGXCSGOAOPMM-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@H]21	ZINC001165024994	721803779	/nfs/dbraw/zinc/80/37/79/721803779.db2.gz	MZDNAVJNIXDYMR-SAWYMBPVSA-N	1	1	432.959	4.287	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@H]21	ZINC001165029597	721813159	/nfs/dbraw/zinc/81/31/59/721813159.db2.gz	ZTFLPXDIMHGXOO-CWFSZBLJSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C[C@@H]21	ZINC001165029459	721819287	/nfs/dbraw/zinc/81/92/87/721819287.db2.gz	ZDFZOWSNNNLIFZ-RZFNWQHOSA-N	1	1	446.599	4.070	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C[C@H]21	ZINC001165029453	721819293	/nfs/dbraw/zinc/81/92/93/721819293.db2.gz	ZDFZOWSNNNLIFZ-QTGUNEKASA-N	1	1	446.599	4.070	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]21	ZINC001165025486	721819620	/nfs/dbraw/zinc/81/96/20/721819620.db2.gz	MXPWDVRPZLSCCW-QKYXUNIQSA-N	1	1	431.918	4.283	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@@H]21	ZINC001164841297	720636743	/nfs/dbraw/zinc/63/67/43/720636743.db2.gz	RUTRFJWJLHJSDN-LEDOBFOHSA-N	1	1	434.975	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@@H]21	ZINC001165024993	721803843	/nfs/dbraw/zinc/80/38/43/721803843.db2.gz	MZDNAVJNIXDYMR-QGCDCVKKSA-N	1	1	432.959	4.287	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@@H]21	ZINC001165025488	721819483	/nfs/dbraw/zinc/81/94/83/721819483.db2.gz	MXPWDVRPZLSCCW-ZAAXVRCTSA-N	1	1	431.918	4.283	20	30		IIEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164993761	722205485	/nfs/dbraw/zinc/20/54/85/722205485.db2.gz	AQLXBABDSMFSMM-VWLOTQADSA-N	1	1	435.547	4.322	20	30		IIEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)C2	ZINC001164813247	720207176	/nfs/dbraw/zinc/20/71/76/720207176.db2.gz	NVZJCBFNLZWHEQ-MZNJEOGPSA-N	1	1	442.966	4.392	20	30		IIEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)[C@@H]2C	ZINC001164860377	721005861	/nfs/dbraw/zinc/00/58/61/721005861.db2.gz	NLEDAXYDXITWJZ-HXUWFJFHSA-N	1	1	444.583	4.345	20	30		IIEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@@H]3C2)cn1	ZINC001164760207	721250721	/nfs/dbraw/zinc/25/07/21/721250721.db2.gz	DDELIANSQSGTBJ-CVEARBPZSA-N	1	1	441.366	4.105	20	30		IIEDMO
CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2	ZINC001164874819	721327590	/nfs/dbraw/zinc/32/75/90/721327590.db2.gz	JODLMIWKYAMIOM-UHFFFAOYSA-N	1	1	445.901	4.453	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]21	ZINC001165028808	721801762	/nfs/dbraw/zinc/80/17/62/721801762.db2.gz	ZTPHFUKVTJGDNG-BHIYHBOVSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@@H]21	ZINC001165027289	721802850	/nfs/dbraw/zinc/80/28/50/721802850.db2.gz	VLCAIXWNONEWKF-MOXGXCLJSA-N	1	1	431.918	4.283	20	30		IIEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164993760	722205015	/nfs/dbraw/zinc/20/50/15/722205015.db2.gz	AQLXBABDSMFSMM-RUZDIDTESA-N	1	1	435.547	4.322	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(C#N)cc31)CC2	ZINC001164716934	720111861	/nfs/dbraw/zinc/11/18/61/720111861.db2.gz	LSUPMEFNWBXMLN-HSZRJFAPSA-N	1	1	427.552	4.009	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C#C[Si](C)(C)C)CC2	ZINC001164713073	720127895	/nfs/dbraw/zinc/12/78/95/720127895.db2.gz	QCIYAXHLBZRSNB-DEOSSOPVSA-N	1	1	448.687	4.213	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4cccs4)ccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164838144	720609523	/nfs/dbraw/zinc/60/95/23/720609523.db2.gz	JZOZLGXMKLKNPR-JAXLGGSGSA-N	1	1	432.597	4.256	20	30		IIEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)[C@@H]2C	ZINC001164863240	720924460	/nfs/dbraw/zinc/92/44/60/720924460.db2.gz	XTCVVVMOKBEAMO-GFCCVEGCSA-N	1	1	443.329	4.423	20	30		IIEDMO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164908037	721567159	/nfs/dbraw/zinc/56/71/59/721567159.db2.gz	PKGRREKDRCUVLJ-WMZOPIPTSA-N	1	1	440.881	4.380	20	30		IIEDMO
N#Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)cc1Cl	ZINC001164912863	721732764	/nfs/dbraw/zinc/73/27/64/721732764.db2.gz	QRSDJDBLPHZBDX-LJQANCHMSA-N	1	1	438.309	4.393	20	30		IIEDMO
N#Cc1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164913903	721734782	/nfs/dbraw/zinc/73/47/82/721734782.db2.gz	ZJYYVYUFEQUUKF-IBGZPJMESA-N	1	1	438.309	4.393	20	30		IIEDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)CC3)C2)cc1	ZINC001164940361	721921095	/nfs/dbraw/zinc/92/10/95/721921095.db2.gz	ZNPYVEHIKFWFQR-UHFFFAOYSA-N	1	1	446.929	4.331	20	30		IIEDMO
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164697487	719893652	/nfs/dbraw/zinc/89/36/52/719893652.db2.gz	KDRSABJSZSMWCA-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4cccs4)ccc3C#N)CC[C@@H]21	ZINC001164838147	720608815	/nfs/dbraw/zinc/60/88/15/720608815.db2.gz	JZOZLGXMKLKNPR-URVUXULASA-N	1	1	432.597	4.256	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2	ZINC001164793124	721491313	/nfs/dbraw/zinc/49/13/13/721491313.db2.gz	OAJLGNDOTXQOCL-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(C#N)c(Cl)c2c1	ZINC001164806892	721592114	/nfs/dbraw/zinc/59/21/14/721592114.db2.gz	NNHACWSQZLUOCQ-GPXNEJASSA-N	1	1	447.970	4.332	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(C#N)c(Cl)c2c1	ZINC001164806892	721592116	/nfs/dbraw/zinc/59/21/16/721592116.db2.gz	NNHACWSQZLUOCQ-GPXNEJASSA-N	1	1	447.970	4.332	20	30		IIEDMO
COc1cc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C#N)c(Cl)n1	ZINC001164956239	722019494	/nfs/dbraw/zinc/01/94/94/722019494.db2.gz	ZRRKJDZGTBDQHG-UHFFFAOYSA-N	1	1	447.917	4.048	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2	ZINC001164843907	720680872	/nfs/dbraw/zinc/68/08/72/720680872.db2.gz	RUNKMFMEMZCGHW-GOSISDBHSA-N	1	1	446.929	4.411	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164780475	721440217	/nfs/dbraw/zinc/44/02/17/721440217.db2.gz	BNRUYIFCRQZMDR-VXGBXAGGSA-N	1	1	431.899	4.063	20	30		IIEDMO
N#Cc1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164907869	721705552	/nfs/dbraw/zinc/70/55/52/721705552.db2.gz	UWRGOLRDGRDYEJ-LJQANCHMSA-N	1	1	438.309	4.393	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C#C[Si](C)(C)C)C2	ZINC001164911769	721756774	/nfs/dbraw/zinc/75/67/74/721756774.db2.gz	ZDWZRPIFOOVFHU-UHFFFAOYSA-N	1	1	430.628	4.493	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C#C[Si](C)(C)C)C2	ZINC001164911769	721756782	/nfs/dbraw/zinc/75/67/82/721756782.db2.gz	ZDWZRPIFOOVFHU-UHFFFAOYSA-N	1	1	430.628	4.493	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]21	ZINC001165027173	721808069	/nfs/dbraw/zinc/80/80/69/721808069.db2.gz	UANGGVVSDBRBTB-OXFYSEKESA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2ccc(Cl)cc12	ZINC001164964381	722061346	/nfs/dbraw/zinc/06/13/46/722061346.db2.gz	FYXLCKUNGGJABJ-UHFFFAOYSA-N	1	1	447.970	4.274	20	30		IIEDMO
Cc1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971627	722159212	/nfs/dbraw/zinc/15/92/12/722159212.db2.gz	CJLJGLMEONSYCP-XXBNENTESA-N	1	1	447.970	4.191	20	30		IIEDMO
C=CCOC[C@H]1CCC[C@@]12CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2	ZINC001164978964	722167796	/nfs/dbraw/zinc/16/77/96/722167796.db2.gz	SNJHDJXAEXDZPR-SHQCIBLASA-N	1	1	433.596	4.218	20	30		IIEDMO
N#Cc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cnc1Cl	ZINC001164698980	719892962	/nfs/dbraw/zinc/89/29/62/719892962.db2.gz	VCDBICONZMLOPG-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cl)c1C#N)CC2	ZINC001164712474	720153683	/nfs/dbraw/zinc/15/36/83/720153683.db2.gz	MKBANNBYMLCCKN-KRWDZBQOSA-N	1	1	446.382	4.163	20	30		IIEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2	ZINC001164815177	720202408	/nfs/dbraw/zinc/20/24/08/720202408.db2.gz	WRYDPSCUKYYMIG-MWTRTKDXSA-N	1	1	428.939	4.084	20	30		IIEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1	ZINC001164725262	720478111	/nfs/dbraw/zinc/47/81/11/720478111.db2.gz	JATZUWVNUYMCBM-UXHICEINSA-N	1	1	432.915	4.042	20	30		IIEDMO
CCCc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl	ZINC001164838048	720557668	/nfs/dbraw/zinc/55/76/68/720557668.db2.gz	NLQQDMRZLYLHJE-PWRODBHTSA-N	1	1	426.996	4.133	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)CC[C@@H]21	ZINC001164842605	720646244	/nfs/dbraw/zinc/64/62/44/720646244.db2.gz	SLEVGPQFSQAMBQ-VABKMULXSA-N	1	1	432.616	4.141	20	30		IIEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@H]3C2)cn1	ZINC001164760210	721250258	/nfs/dbraw/zinc/25/02/58/721250258.db2.gz	DDELIANSQSGTBJ-JKSUJKDBSA-N	1	1	441.366	4.105	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164809373	721575574	/nfs/dbraw/zinc/57/55/74/721575574.db2.gz	WQIXBJMQMUKPIT-MQSCRBSSSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164809373	721575575	/nfs/dbraw/zinc/57/55/75/721575575.db2.gz	WQIXBJMQMUKPIT-MQSCRBSSSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cl)c1C#N)C2	ZINC001164911631	721764257	/nfs/dbraw/zinc/76/42/57/721764257.db2.gz	QCMDSZYFMIBQCJ-UHFFFAOYSA-N	1	1	428.323	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cl)c1C#N)C2	ZINC001164911631	721764263	/nfs/dbraw/zinc/76/42/63/721764263.db2.gz	QCMDSZYFMIBQCJ-UHFFFAOYSA-N	1	1	428.323	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@@H]21	ZINC001165029602	721813229	/nfs/dbraw/zinc/81/32/29/721813229.db2.gz	ZTFLPXDIMHGXOO-UIAACRFSSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21	ZINC001165028873	721830062	/nfs/dbraw/zinc/83/00/62/721830062.db2.gz	VUKQQXCJOVSNHS-OUPRXKBMSA-N	1	1	442.523	4.147	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21	ZINC001165028866	721830258	/nfs/dbraw/zinc/83/02/58/721830258.db2.gz	VUKQQXCJOVSNHS-CUHUQNRHSA-N	1	1	442.523	4.147	20	30		IIEDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)CC3)C2)cc1	ZINC001164939761	721926886	/nfs/dbraw/zinc/92/68/86/721926886.db2.gz	MUABTUVMQULVBT-UHFFFAOYSA-N	1	1	446.929	4.331	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@@H]21	ZINC001165028812	721801715	/nfs/dbraw/zinc/80/17/15/721801715.db2.gz	ZTPHFUKVTJGDNG-NZSAHSFTSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]21	ZINC001165022592	721814068	/nfs/dbraw/zinc/81/40/68/721814068.db2.gz	FZVFKZVAMIUCMQ-MOXGXCLJSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]21	ZINC001165028878	721830281	/nfs/dbraw/zinc/83/02/81/721830281.db2.gz	VUKQQXCJOVSNHS-OZWPHOJSSA-N	1	1	442.523	4.147	20	30		IIEDMO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1Cl	ZINC001165043554	721926797	/nfs/dbraw/zinc/92/67/97/721926797.db2.gz	LISCAGQXYJQRPJ-CQSZACIVSA-N	1	1	441.309	4.259	20	30		IIEDMO
C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2	ZINC001164978963	722167760	/nfs/dbraw/zinc/16/77/60/722167760.db2.gz	SNJHDJXAEXDZPR-RPLLCQBOSA-N	1	1	433.596	4.218	20	30		IIEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164993229	722196892	/nfs/dbraw/zinc/19/68/92/722196892.db2.gz	DBRRTWWZFZGUMJ-HSZRJFAPSA-N	1	1	442.922	4.167	20	30		IIEDMO
N#Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164997978	722213124	/nfs/dbraw/zinc/21/31/24/722213124.db2.gz	UATJQZKNLBFBMC-XMMPIXPASA-N	1	1	431.471	4.399	20	30		IIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C#N)c4cc([N+](=O)[O-])ccc4n2)CC3)cs1	ZINC001164704069	719816503	/nfs/dbraw/zinc/81/65/03/719816503.db2.gz	XKURWYOLQNPRTC-UHFFFAOYSA-N	1	1	448.552	4.415	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2	ZINC001164711193	720096140	/nfs/dbraw/zinc/09/61/40/720096140.db2.gz	PGOHJHXPQOBKHC-FQEVSTJZSA-N	1	1	439.991	4.126	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)cc1C#N)CC2	ZINC001164719148	720118564	/nfs/dbraw/zinc/11/85/64/720118564.db2.gz	WPYHRPQSPJHLSL-SFHVURJKSA-N	1	1	446.382	4.163	20	30		IIEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)C2	ZINC001164813251	720206810	/nfs/dbraw/zinc/20/68/10/720206810.db2.gz	NVZJCBFNLZWHEQ-OSPHWJPCSA-N	1	1	442.966	4.392	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2	ZINC001164841043	720693148	/nfs/dbraw/zinc/69/31/48/720693148.db2.gz	HEAIUASWQFXNNO-IBGZPJMESA-N	1	1	446.929	4.411	20	30		IIEDMO
CSc1nc(-c2ccccc2)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1C#N	ZINC001164856254	720976516	/nfs/dbraw/zinc/97/65/16/720976516.db2.gz	AGRPPOBAGMXGIL-QGZVFWFLSA-N	1	1	447.612	4.355	20	30		IIEDMO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12	ZINC001164781432	721440287	/nfs/dbraw/zinc/44/02/87/721440287.db2.gz	FWQGERWDPIQHTK-OKILXGFUSA-N	1	1	427.936	4.232	20	30		IIEDMO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12	ZINC001164781432	721440291	/nfs/dbraw/zinc/44/02/91/721440291.db2.gz	FWQGERWDPIQHTK-OKILXGFUSA-N	1	1	427.936	4.232	20	30		IIEDMO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164785878	721440361	/nfs/dbraw/zinc/44/03/61/721440361.db2.gz	TUXWLNHKFMYGNF-CHWSQXEVSA-N	1	1	430.364	4.438	20	30		IIEDMO
N#Cc1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164913905	721734120	/nfs/dbraw/zinc/73/41/20/721734120.db2.gz	ZJYYVYUFEQUUKF-LJQANCHMSA-N	1	1	438.309	4.393	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@H]21	ZINC001165027176	721808162	/nfs/dbraw/zinc/80/81/62/721808162.db2.gz	UANGGVVSDBRBTB-WRWLIDTKSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)CC3)C2)cc1	ZINC001164939346	721926658	/nfs/dbraw/zinc/92/66/58/721926658.db2.gz	JKLNEWLVPVHFRN-UHFFFAOYSA-N	1	1	446.929	4.331	20	30		IIEDMO
Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C#N	ZINC001164960524	722054052	/nfs/dbraw/zinc/05/40/52/722054052.db2.gz	RHHBSPNONSJIDK-UHFFFAOYSA-N	1	1	446.382	4.083	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12	ZINC001164972781	722159121	/nfs/dbraw/zinc/15/91/21/722159121.db2.gz	JOKODPDEHRDDHV-UGKGYDQZSA-N	1	1	447.970	4.191	20	30		IIEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2	ZINC001164652717	719317982	/nfs/dbraw/zinc/31/79/82/719317982.db2.gz	LEWCJHINYSRZSN-UHFFFAOYSA-N	1	1	426.927	4.301	20	30		IIEDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C4(C#N)CCOCC4)cn2)CC3)cs1	ZINC001164691573	719812585	/nfs/dbraw/zinc/81/25/85/719812585.db2.gz	HTLJXUKGELMBPT-UHFFFAOYSA-N	1	1	437.613	4.053	20	30		IIEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)C2	ZINC001164815488	720206715	/nfs/dbraw/zinc/20/67/15/720206715.db2.gz	ZYOUEQNTJFJOBJ-WNSKOXEYSA-N	1	1	446.929	4.223	20	30		IIEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1	ZINC001164730602	720477432	/nfs/dbraw/zinc/47/74/32/720477432.db2.gz	UPDFIZSLVKWUDL-UXHICEINSA-N	1	1	432.915	4.042	20	30		IIEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1	ZINC001164730599	720478012	/nfs/dbraw/zinc/47/80/12/720478012.db2.gz	UPDFIZSLVKWUDL-PMACEKPBSA-N	1	1	432.915	4.042	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@@H]21	ZINC001164841679	720513444	/nfs/dbraw/zinc/51/34/44/720513444.db2.gz	ZJMBCUGJBMYABC-VTZPFEBOSA-N	1	1	444.558	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2	ZINC001164839871	720688598	/nfs/dbraw/zinc/68/85/98/720688598.db2.gz	CKOBGFGSVBPARS-FQEVSTJZSA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2	ZINC001164841900	720693008	/nfs/dbraw/zinc/69/30/08/720693008.db2.gz	KASGYNSXEDRTLH-IBGZPJMESA-N	1	1	446.929	4.411	20	30		IIEDMO
CC(C)c1ccc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164753910	720874821	/nfs/dbraw/zinc/87/48/21/720874821.db2.gz	QKNKEFKUUJEYKN-IGKIAQTJSA-N	1	1	445.611	4.227	20	30		IIEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)[C@H]2C	ZINC001164863242	720925615	/nfs/dbraw/zinc/92/56/15/720925615.db2.gz	XTCVVVMOKBEAMO-LBPRGKRZSA-N	1	1	443.329	4.423	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164794644	721504001	/nfs/dbraw/zinc/50/40/01/721504001.db2.gz	BJOWWIISRKBWAX-UHFFFAOYSA-N	1	1	442.523	4.291	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(C#N)cnc4cnc(Cl)cc43)C[C@H]21	ZINC001165024992	721803936	/nfs/dbraw/zinc/80/39/36/721803936.db2.gz	MZDNAVJNIXDYMR-BSLALVQMSA-N	1	1	432.959	4.287	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]21	ZINC001165027148	721813637	/nfs/dbraw/zinc/81/36/37/721813637.db2.gz	SOIIMGDYKHUOOA-BHIYHBOVSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]21	ZINC001165022600	721813956	/nfs/dbraw/zinc/81/39/56/721813956.db2.gz	FZVFKZVAMIUCMQ-ZAAXVRCTSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164695340	719887223	/nfs/dbraw/zinc/88/72/23/719887223.db2.gz	OOFCDGQIIVZTTQ-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164695297	719887988	/nfs/dbraw/zinc/88/79/88/719887988.db2.gz	MBQAMPWCCQIULJ-UHFFFAOYSA-N	1	1	439.972	4.088	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3ccc(C#N)cc31)CC2	ZINC001164716935	720112583	/nfs/dbraw/zinc/11/25/83/720112583.db2.gz	LSUPMEFNWBXMLN-QHCPKHFHSA-N	1	1	427.552	4.009	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C#N)c(Cl)cc1Cl)CC2	ZINC001164714056	720151403	/nfs/dbraw/zinc/15/14/03/720151403.db2.gz	VUBOVDFFFPAEOJ-KRWDZBQOSA-N	1	1	446.382	4.163	20	30		IIEDMO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc1F	ZINC001164726492	720389401	/nfs/dbraw/zinc/38/94/01/720389401.db2.gz	OVJPZFXQAQEIQW-SFTDATJTSA-N	1	1	434.906	4.056	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccc(F)cc4)ccc3C#N)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164841678	720513084	/nfs/dbraw/zinc/51/30/84/720513084.db2.gz	ZJMBCUGJBMYABC-UMXIMWEHSA-N	1	1	444.558	4.334	20	30		IIEDMO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164785868	721440482	/nfs/dbraw/zinc/44/04/82/721440482.db2.gz	TUXWLNHKFMYGNF-BETUJISGSA-N	1	1	430.364	4.438	20	30		IIEDMO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164785868	721440484	/nfs/dbraw/zinc/44/04/84/721440484.db2.gz	TUXWLNHKFMYGNF-BETUJISGSA-N	1	1	430.364	4.438	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@H]2CCCO[C@H]12	ZINC001164805256	721588343	/nfs/dbraw/zinc/58/83/43/721588343.db2.gz	LENNTUYEVPKHNZ-ZDXQCDESSA-N	1	1	433.943	4.023	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(C#N)c(Cl)c2c1	ZINC001164806890	721592168	/nfs/dbraw/zinc/59/21/68/721592168.db2.gz	NNHACWSQZLUOCQ-FIXSFTCYSA-N	1	1	447.970	4.332	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(C#N)c(Cl)c2c1	ZINC001164806890	721592169	/nfs/dbraw/zinc/59/21/69/721592169.db2.gz	NNHACWSQZLUOCQ-FIXSFTCYSA-N	1	1	447.970	4.332	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@H]21	ZINC001165029594	721813119	/nfs/dbraw/zinc/81/31/19/721813119.db2.gz	ZTFLPXDIMHGXOO-CDHQVMDDSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)CC3)C2)cc1	ZINC001164940427	721923031	/nfs/dbraw/zinc/92/30/31/721923031.db2.gz	QDMHEKHPPDVTCA-UHFFFAOYSA-N	1	1	447.970	4.335	20	30		IIEDMO
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)cc1	ZINC001164967919	722078141	/nfs/dbraw/zinc/07/81/41/722078141.db2.gz	MTLFCPAKGMLGNZ-BGYRXZFFSA-N	1	1	444.913	4.118	20	30		IIEDMO
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)cc1	ZINC001164967919	722078143	/nfs/dbraw/zinc/07/81/43/722078143.db2.gz	MTLFCPAKGMLGNZ-BGYRXZFFSA-N	1	1	444.913	4.118	20	30		IIEDMO
C=CCOC[C@H]1CCC[C@]12CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCO2	ZINC001164978965	722167910	/nfs/dbraw/zinc/16/79/10/722167910.db2.gz	SNJHDJXAEXDZPR-SQHAQQRYSA-N	1	1	433.596	4.218	20	30		IIEDMO
CSc1nc(Cl)c(C=NO)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1	ZINC001164995888	722196407	/nfs/dbraw/zinc/19/64/07/722196407.db2.gz	YZAXRMLJWGKPLW-FQEVSTJZSA-N	1	1	435.956	4.044	20	30		IIEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)C2	ZINC001164813254	720207242	/nfs/dbraw/zinc/20/72/42/720207242.db2.gz	NVZJCBFNLZWHEQ-XDHUDOTRSA-N	1	1	442.966	4.392	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164780474	721440387	/nfs/dbraw/zinc/44/03/87/721440387.db2.gz	BNRUYIFCRQZMDR-TXEJJXNPSA-N	1	1	431.899	4.063	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164780474	721440392	/nfs/dbraw/zinc/44/03/92/721440392.db2.gz	BNRUYIFCRQZMDR-TXEJJXNPSA-N	1	1	431.899	4.063	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12	ZINC001164801791	721592182	/nfs/dbraw/zinc/59/21/82/721592182.db2.gz	FTQQBCFXVXOLJA-ZFGGDYGUSA-N	1	1	447.970	4.332	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164910094	721753156	/nfs/dbraw/zinc/75/31/56/721753156.db2.gz	LXKWOKMBFGSBOW-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164910094	721753160	/nfs/dbraw/zinc/75/31/60/721753160.db2.gz	LXKWOKMBFGSBOW-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC001165046004	721962421	/nfs/dbraw/zinc/96/24/21/721962421.db2.gz	GMDOUOLGJLFHAJ-UHFFFAOYSA-N	1	1	428.870	4.239	20	30		IIEDMO
N#Cc1c(Cl)c2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164962193	722059526	/nfs/dbraw/zinc/05/95/26/722059526.db2.gz	PMQRYGSGZVSAPS-UHFFFAOYSA-N	1	1	447.970	4.274	20	30		IIEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164647865	719307375	/nfs/dbraw/zinc/30/73/75/719307375.db2.gz	OASNRYPWGRPYEH-UHFFFAOYSA-N	1	1	443.329	4.207	20	30		IIEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2	ZINC001164651343	719315619	/nfs/dbraw/zinc/31/56/19/719315619.db2.gz	JGRBYPFIXWIEBL-UHFFFAOYSA-N	1	1	444.583	4.128	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#N)c4cc(Cl)ccc4n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164841289	720636983	/nfs/dbraw/zinc/63/69/83/720636983.db2.gz	RUTRFJWJLHJSDN-GREBRCKQSA-N	1	1	434.975	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2	ZINC001164837559	720662878	/nfs/dbraw/zinc/66/28/78/720662878.db2.gz	CYAUBKGKZDRGRB-LJQANCHMSA-N	1	1	446.929	4.411	20	30		IIEDMO
CC(C)c1ccc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164753917	720874998	/nfs/dbraw/zinc/87/49/98/720874998.db2.gz	QKNKEFKUUJEYKN-RPLLCQBOSA-N	1	1	445.611	4.227	20	30		IIEDMO
N#Cc1cccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)c(Cl)nn2)c1	ZINC001164775066	721303737	/nfs/dbraw/zinc/30/37/37/721303737.db2.gz	NVMQGNZKKOHYSV-UHFFFAOYSA-N	1	1	429.902	4.136	20	30		IIEDMO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12	ZINC001164781435	721440320	/nfs/dbraw/zinc/44/03/20/721440320.db2.gz	FWQGERWDPIQHTK-ZIAGYGMSSA-N	1	1	427.936	4.232	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2	ZINC001164791328	721493102	/nfs/dbraw/zinc/49/31/02/721493102.db2.gz	ANQDPYAQACRIRX-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164908034	721567349	/nfs/dbraw/zinc/56/73/49/721567349.db2.gz	PKGRREKDRCUVLJ-AEFFLSMTSA-N	1	1	440.881	4.380	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@H]21	ZINC001165027741	721811111	/nfs/dbraw/zinc/81/11/11/721811111.db2.gz	VSODCBCQNVVQKR-CWFSZBLJSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]21	ZINC001165028903	721813912	/nfs/dbraw/zinc/81/39/12/721813912.db2.gz	YBYOYZVDALDIOY-BHIYHBOVSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@@H]21	ZINC001165028909	721813918	/nfs/dbraw/zinc/81/39/18/721813918.db2.gz	YBYOYZVDALDIOY-YTQUADARSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1ccc(-c2cccs2)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164962353	722059965	/nfs/dbraw/zinc/05/99/65/722059965.db2.gz	RJIVAVPOUSQWGQ-UHFFFAOYSA-N	1	1	445.592	4.196	20	30		IIEDMO
CC1(C)CCCc2cc(C#N)c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21	ZINC001164966451	722062325	/nfs/dbraw/zinc/06/23/25/722062325.db2.gz	TZNKZCSPULXDJH-UHFFFAOYSA-N	1	1	445.611	4.081	20	30		IIEDMO
Cc1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971621	722158884	/nfs/dbraw/zinc/15/88/84/722158884.db2.gz	CJLJGLMEONSYCP-AUSIDOKSSA-N	1	1	447.970	4.191	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C#N)c(Cl)cc1Cl)CC2	ZINC001164714057	720151990	/nfs/dbraw/zinc/15/19/90/720151990.db2.gz	VUBOVDFFFPAEOJ-QGZVFWFLSA-N	1	1	446.382	4.163	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#C[Si](C)(C)C)ccn1)CC2	ZINC001164713025	720154778	/nfs/dbraw/zinc/15/47/78/720154778.db2.gz	PAZLPSWSLUOKGD-DEOSSOPVSA-N	1	1	448.687	4.213	20	30		IIEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1	ZINC001164725266	720477821	/nfs/dbraw/zinc/47/78/21/720477821.db2.gz	JATZUWVNUYMCBM-WOJBJXKFSA-N	1	1	432.915	4.042	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164730718	720490388	/nfs/dbraw/zinc/49/03/88/720490388.db2.gz	VAIQAPGQVIUMBL-VQTJNVASSA-N	1	1	425.870	4.286	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@@H]21	ZINC001164841676	720512792	/nfs/dbraw/zinc/51/27/92/720512792.db2.gz	ZJMBCUGJBMYABC-RSEQLOHWSA-N	1	1	444.558	4.334	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4cccs4)ccc3C#N)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164838146	720609976	/nfs/dbraw/zinc/60/99/76/720609976.db2.gz	JZOZLGXMKLKNPR-RZUBCFFCSA-N	1	1	432.597	4.256	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2	ZINC001164837553	720662938	/nfs/dbraw/zinc/66/29/38/720662938.db2.gz	CYAUBKGKZDRGRB-IBGZPJMESA-N	1	1	446.929	4.411	20	30		IIEDMO
Cc1ccc([C@@H](C#N)c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cc1	ZINC001164863712	720927014	/nfs/dbraw/zinc/92/70/14/720927014.db2.gz	YSOHQKBIVXJDKJ-SIKLNZKXSA-N	1	1	429.572	4.058	20	30		IIEDMO
Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c(C)c1Cl	ZINC001164907471	721585526	/nfs/dbraw/zinc/58/55/26/721585526.db2.gz	UAPFFVAOYDKKRP-NRFANRHFSA-N	1	1	431.918	4.356	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@H]21	ZINC001165027737	721811264	/nfs/dbraw/zinc/81/12/64/721811264.db2.gz	VSODCBCQNVVQKR-CDHQVMDDSA-N	1	1	431.918	4.283	20	30		IIEDMO
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]c(C)ccc1CC#N)CC2	ZINC001164658968	719354882	/nfs/dbraw/zinc/35/48/82/719354882.db2.gz	NQAJYAKSGCBNSW-UHFFFAOYSA-N	1	1	426.568	4.151	20	30		IIEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164725808	720477815	/nfs/dbraw/zinc/47/78/15/720477815.db2.gz	KLQBCFLPENJZRP-OALUTQOASA-N	1	1	432.915	4.042	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@@H]21	ZINC001164841304	720637125	/nfs/dbraw/zinc/63/71/25/720637125.db2.gz	RUTRFJWJLHJSDN-RFWXGWTQSA-N	1	1	434.975	4.334	20	30		IIEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC[C@H]2C1	ZINC001164856036	720858888	/nfs/dbraw/zinc/85/88/88/720858888.db2.gz	NVLFITZQAYKKDR-SIKLNZKXSA-N	1	1	448.592	4.008	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2	ZINC001164792615	721495781	/nfs/dbraw/zinc/49/57/81/721495781.db2.gz	SFYISMMJKMPRSR-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12	ZINC001164801784	721592004	/nfs/dbraw/zinc/59/20/04/721592004.db2.gz	FTQQBCFXVXOLJA-DPLHUUCSSA-N	1	1	447.970	4.332	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]21	ZINC001165028817	721801654	/nfs/dbraw/zinc/80/16/54/721801654.db2.gz	ZTPHFUKVTJGDNG-QXAKKESOSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)cnc2Cl)c1	ZINC001165044217	721926929	/nfs/dbraw/zinc/92/69/29/721926929.db2.gz	SOOPQPADWKLQAC-LJQANCHMSA-N	1	1	432.902	4.120	20	30		IIEDMO
CCCc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl	ZINC001164963242	722057219	/nfs/dbraw/zinc/05/72/19/722057219.db2.gz	JMABXMDXDDFDQM-UHFFFAOYSA-N	1	1	439.991	4.073	20	30		IIEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)C2	ZINC001164813244	720207568	/nfs/dbraw/zinc/20/75/68/720207568.db2.gz	NVZJCBFNLZWHEQ-BXKMTCNYSA-N	1	1	442.966	4.392	20	30		IIEDMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC[C@H]2C1	ZINC001164856037	720859197	/nfs/dbraw/zinc/85/91/97/720859197.db2.gz	NVLFITZQAYKKDR-UGKGYDQZSA-N	1	1	448.592	4.008	20	30		IIEDMO
N#Cc1ccc(-c2cc(C(F)(F)N3CC4(C3)CC[N@@H+](CC3CC3)C4)c(Cl)nn2)cc1	ZINC001164774468	721303236	/nfs/dbraw/zinc/30/32/36/721303236.db2.gz	COUUFADZWGZHDI-UHFFFAOYSA-N	1	1	429.902	4.136	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164802323	721530888	/nfs/dbraw/zinc/53/08/88/721530888.db2.gz	GADMIKUIHYMHLX-SDHSZQHLSA-N	1	1	443.526	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164802323	721530895	/nfs/dbraw/zinc/53/08/95/721530895.db2.gz	GADMIKUIHYMHLX-SDHSZQHLSA-N	1	1	443.526	4.023	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]21	ZINC001165027149	721813505	/nfs/dbraw/zinc/81/35/05/721813505.db2.gz	SOIIMGDYKHUOOA-NZSAHSFTSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]21	ZINC001165025487	721819345	/nfs/dbraw/zinc/81/93/45/721819345.db2.gz	MXPWDVRPZLSCCW-XFQXTVEOSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12	ZINC001164972779	722158650	/nfs/dbraw/zinc/15/86/50/722158650.db2.gz	JOKODPDEHRDDHV-SIKLNZKXSA-N	1	1	447.970	4.191	20	30		IIEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CC2	ZINC001164686007	719722685	/nfs/dbraw/zinc/72/26/85/719722685.db2.gz	ODUKLKBBEIBNAD-UHFFFAOYSA-N	1	1	445.592	4.016	20	30		IIEDMO
C[Si](C)(C)C#Cc1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164904349	721713814	/nfs/dbraw/zinc/71/38/14/721713814.db2.gz	BZYFPFBBLUMYRO-QHCPKHFHSA-N	1	1	440.614	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]21	ZINC001165027295	721802663	/nfs/dbraw/zinc/80/26/63/721802663.db2.gz	VLCAIXWNONEWKF-QKYXUNIQSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)CC3)C2)cc1	ZINC001164940606	721926564	/nfs/dbraw/zinc/92/65/64/721926564.db2.gz	URSMOEHXZPOKAL-UHFFFAOYSA-N	1	1	446.929	4.331	20	30		IIEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1	ZINC001164725264	720477122	/nfs/dbraw/zinc/47/71/22/720477122.db2.gz	JATZUWVNUYMCBM-VQTJNVASSA-N	1	1	432.915	4.042	20	30		IIEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@@H]3C2)cn1	ZINC001164760208	721250824	/nfs/dbraw/zinc/25/08/24/721250824.db2.gz	DDELIANSQSGTBJ-HOTGVXAUSA-N	1	1	441.366	4.105	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2	ZINC001164793137	721490859	/nfs/dbraw/zinc/49/08/59/721490859.db2.gz	OAQVBMOKPPQUCR-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2	ZINC001164793972	721491521	/nfs/dbraw/zinc/49/15/21/721491521.db2.gz	ZLRWAPPMHBKFSW-UHFFFAOYSA-N	1	1	432.959	4.431	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164910011	721746465	/nfs/dbraw/zinc/74/64/65/721746465.db2.gz	XTQBEFKKSRCPJH-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164910011	721746475	/nfs/dbraw/zinc/74/64/75/721746475.db2.gz	XTQBEFKKSRCPJH-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C[C@@H]21	ZINC001165029436	721819472	/nfs/dbraw/zinc/81/94/72/721819472.db2.gz	ZDFZOWSNNNLIFZ-AVCGJXAMSA-N	1	1	446.599	4.070	20	30		IIEDMO
CSc1nc(-c2ccccc2)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1C#N	ZINC001164650252	719312910	/nfs/dbraw/zinc/31/29/10/719312910.db2.gz	VQKUXWNPWKYGLM-UHFFFAOYSA-N	1	1	447.612	4.139	20	30		IIEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2	ZINC001164649236	719318404	/nfs/dbraw/zinc/31/84/04/719318404.db2.gz	ALUZFUHQSLTYMQ-UHFFFAOYSA-N	1	1	444.917	4.440	20	30		IIEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3ccccc3n1)CC2	ZINC001164711269	720141133	/nfs/dbraw/zinc/14/11/33/720141133.db2.gz	GSOUOQDTHAXECN-QFIPXVFZSA-N	1	1	427.552	4.009	20	30		IIEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164725814	720477266	/nfs/dbraw/zinc/47/72/66/720477266.db2.gz	KLQBCFLPENJZRP-RTBURBONSA-N	1	1	432.915	4.042	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2	ZINC001164841005	720668784	/nfs/dbraw/zinc/66/87/84/720668784.db2.gz	OPRMLUDQZGMBRO-FQEVSTJZSA-N	1	1	447.970	4.415	20	30		IIEDMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC[C@@H]2C1	ZINC001164856035	720858833	/nfs/dbraw/zinc/85/88/33/720858833.db2.gz	NVLFITZQAYKKDR-KNQAVFIVSA-N	1	1	448.592	4.008	20	30		IIEDMO
CSc1nc(-c2ccccc2)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1C#N	ZINC001164856251	720978097	/nfs/dbraw/zinc/97/80/97/720978097.db2.gz	AGRPPOBAGMXGIL-KRWDZBQOSA-N	1	1	447.612	4.355	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2	ZINC001164792529	721495911	/nfs/dbraw/zinc/49/59/11/721495911.db2.gz	QEQUPCJLFDYCBD-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@H]12	ZINC001164805242	721588372	/nfs/dbraw/zinc/58/83/72/721588372.db2.gz	LENNTUYEVPKHNZ-AKFKNWHVSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@@H]21	ZINC001165028904	721813920	/nfs/dbraw/zinc/81/39/20/721813920.db2.gz	YBYOYZVDALDIOY-NZSAHSFTSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1	ZINC001164967914	722078136	/nfs/dbraw/zinc/07/81/36/722078136.db2.gz	MTHNPDQAIHWZSF-BGYRXZFFSA-N	1	1	444.913	4.118	20	30		IIEDMO
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1	ZINC001164967914	722078138	/nfs/dbraw/zinc/07/81/38/722078138.db2.gz	MTHNPDQAIHWZSF-BGYRXZFFSA-N	1	1	444.913	4.118	20	30		IIEDMO
CSc1nc(Cl)c(C=NO)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1	ZINC001164995889	722196270	/nfs/dbraw/zinc/19/62/70/722196270.db2.gz	YZAXRMLJWGKPLW-HXUWFJFHSA-N	1	1	435.956	4.044	20	30		IIEDMO
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164698340	719896313	/nfs/dbraw/zinc/89/63/13/719896313.db2.gz	RONPPPOELVXGPD-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)cc1C#N)CC2	ZINC001164719146	720119094	/nfs/dbraw/zinc/11/90/94/720119094.db2.gz	WPYHRPQSPJHLSL-GOSISDBHSA-N	1	1	446.382	4.163	20	30		IIEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2	ZINC001164815173	720202003	/nfs/dbraw/zinc/20/20/03/720202003.db2.gz	WRYDPSCUKYYMIG-HJPURHCSSA-N	1	1	428.939	4.084	20	30		IIEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1	ZINC001164730607	720477868	/nfs/dbraw/zinc/47/78/68/720477868.db2.gz	UPDFIZSLVKWUDL-WOJBJXKFSA-N	1	1	432.915	4.042	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164730703	720490298	/nfs/dbraw/zinc/49/02/98/720490298.db2.gz	VAIQAPGQVIUMBL-PMACEKPBSA-N	1	1	425.870	4.286	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164730720	720490359	/nfs/dbraw/zinc/49/03/59/720490359.db2.gz	VAIQAPGQVIUMBL-WOJBJXKFSA-N	1	1	425.870	4.286	20	30		IIEDMO
CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl	ZINC001164838042	720557676	/nfs/dbraw/zinc/55/76/76/720557676.db2.gz	NLQQDMRZLYLHJE-NJDAHSKKSA-N	1	1	426.996	4.133	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2	ZINC001164840533	720666235	/nfs/dbraw/zinc/66/62/35/720666235.db2.gz	NFUQEVOTBSMMMV-GOSISDBHSA-N	1	1	446.929	4.411	20	30		IIEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cc1	ZINC001164863715	720927611	/nfs/dbraw/zinc/92/76/11/720927611.db2.gz	YSOHQKBIVXJDKJ-UGKGYDQZSA-N	1	1	429.572	4.058	20	30		IIEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@H]3C2)cn1	ZINC001164760209	721250338	/nfs/dbraw/zinc/25/03/38/721250338.db2.gz	DDELIANSQSGTBJ-HZPDHXFCSA-N	1	1	441.366	4.105	20	30		IIEDMO
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164908035	721567011	/nfs/dbraw/zinc/56/70/11/721567011.db2.gz	PKGRREKDRCUVLJ-FUHWJXTLSA-N	1	1	440.881	4.380	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc(Cl)ccc3n2)[C@@H]2CCCO[C@@H]12	ZINC001164805249	721588092	/nfs/dbraw/zinc/58/80/92/721588092.db2.gz	LENNTUYEVPKHNZ-CQOQZXRMSA-N	1	1	433.943	4.023	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12	ZINC001164801781	721592264	/nfs/dbraw/zinc/59/22/64/721592264.db2.gz	FTQQBCFXVXOLJA-AWRGLXIESA-N	1	1	447.970	4.332	20	30		IIEDMO
N#C[C@H](c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nn1)c1ccccc1F	ZINC001164955922	722019406	/nfs/dbraw/zinc/01/94/06/722019406.db2.gz	SRFWZSKFETXQSO-QFIPXVFZSA-N	1	1	442.542	4.159	20	30		IIEDMO
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12	ZINC001164972776	722159102	/nfs/dbraw/zinc/15/91/02/722159102.db2.gz	JOKODPDEHRDDHV-KNQAVFIVSA-N	1	1	447.970	4.191	20	30		IIEDMO
N#Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164997976	722213156	/nfs/dbraw/zinc/21/31/56/722213156.db2.gz	UATJQZKNLBFBMC-DEOSSOPVSA-N	1	1	431.471	4.399	20	30		IIEDMO
N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164696724	719892670	/nfs/dbraw/zinc/89/26/70/719892670.db2.gz	HZGWNCSINYPPFJ-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1	ZINC001164725259	720477736	/nfs/dbraw/zinc/47/77/36/720477736.db2.gz	JATZUWVNUYMCBM-PMACEKPBSA-N	1	1	432.915	4.042	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#N)c4cc(Cl)ccc4n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164841302	720636183	/nfs/dbraw/zinc/63/61/83/720636183.db2.gz	RUTRFJWJLHJSDN-QMHWCDLVSA-N	1	1	434.975	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2	ZINC001164841902	720693432	/nfs/dbraw/zinc/69/34/32/720693432.db2.gz	KASGYNSXEDRTLH-LJQANCHMSA-N	1	1	446.929	4.411	20	30		IIEDMO
CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)CC2	ZINC001164875599	721328007	/nfs/dbraw/zinc/32/80/07/721328007.db2.gz	MZGMOPIYSWXFOJ-UHFFFAOYSA-N	1	1	445.901	4.453	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2	ZINC001164792553	721494677	/nfs/dbraw/zinc/49/46/77/721494677.db2.gz	QSFKUSCELGOXFB-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2	ZINC001164792894	721495943	/nfs/dbraw/zinc/49/59/43/721495943.db2.gz	UTNQSOSFZQYUFA-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@H]2CCCO[C@H]12	ZINC001164802314	721531076	/nfs/dbraw/zinc/53/10/76/721531076.db2.gz	GADMIKUIHYMHLX-GVAUOCQISA-N	1	1	443.526	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@H]2CCCO[C@H]12	ZINC001164802314	721531078	/nfs/dbraw/zinc/53/10/78/721531078.db2.gz	GADMIKUIHYMHLX-GVAUOCQISA-N	1	1	443.526	4.023	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164910064	721755132	/nfs/dbraw/zinc/75/51/32/721755132.db2.gz	KJTMEJYCEBZEHA-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164910064	721755134	/nfs/dbraw/zinc/75/51/34/721755134.db2.gz	KJTMEJYCEBZEHA-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2	ZINC001164911651	721764670	/nfs/dbraw/zinc/76/46/70/721764670.db2.gz	QSIJDDUWNCSRIP-UHFFFAOYSA-N	1	1	430.628	4.493	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2	ZINC001164911651	721764675	/nfs/dbraw/zinc/76/46/75/721764675.db2.gz	QSIJDDUWNCSRIP-UHFFFAOYSA-N	1	1	430.628	4.493	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]21	ZINC001165022598	721814074	/nfs/dbraw/zinc/81/40/74/721814074.db2.gz	FZVFKZVAMIUCMQ-XFQXTVEOSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#C[C@H](c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1)c1ccccc1F	ZINC001164628911	719085493	/nfs/dbraw/zinc/08/54/93/719085493.db2.gz	URKLBMYKWLGWHB-UWDQQESISA-N	1	1	427.527	4.372	20	30		IIEDMO
CSc1nc(Cl)c(C#N)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1	ZINC001164692671	719803524	/nfs/dbraw/zinc/80/35/24/719803524.db2.gz	OOCCMSOPGIJEEF-UHFFFAOYSA-N	1	1	435.022	4.124	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2	ZINC001164842313	720705270	/nfs/dbraw/zinc/70/52/70/720705270.db2.gz	YDUJSCFMDTZZBQ-LJQANCHMSA-N	1	1	446.929	4.411	20	30		IIEDMO
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164780473	721440501	/nfs/dbraw/zinc/44/05/01/721440501.db2.gz	BNRUYIFCRQZMDR-RYUDHWBXSA-N	1	1	431.899	4.063	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2	ZINC001164908848	721746594	/nfs/dbraw/zinc/74/65/94/721746594.db2.gz	MBANUOBKJUITIA-UHFFFAOYSA-N	1	1	444.926	4.338	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2	ZINC001164908848	721746598	/nfs/dbraw/zinc/74/65/98/721746598.db2.gz	MBANUOBKJUITIA-UHFFFAOYSA-N	1	1	444.926	4.338	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C#N)c(Cl)cc1Cl)C2	ZINC001164911215	721764429	/nfs/dbraw/zinc/76/44/29/721764429.db2.gz	OAIICFXVNJGTHW-UHFFFAOYSA-N	1	1	428.323	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C#N)c(Cl)cc1Cl)C2	ZINC001164911215	721764430	/nfs/dbraw/zinc/76/44/30/721764430.db2.gz	OAIICFXVNJGTHW-UHFFFAOYSA-N	1	1	428.323	4.443	20	30		IIEDMO
N#C[C@H](c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1)c1ccccc1F	ZINC001164628912	719085838	/nfs/dbraw/zinc/08/58/38/719085838.db2.gz	URKLBMYKWLGWHB-XTJBDQBJSA-N	1	1	427.527	4.372	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)c(Cl)c(C)c1C#N)CC2	ZINC001164711196	720096853	/nfs/dbraw/zinc/09/68/53/720096853.db2.gz	PGOHJHXPQOBKHC-HXUWFJFHSA-N	1	1	439.991	4.126	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C#C[Si](C)(C)C)CC2	ZINC001164713074	720128168	/nfs/dbraw/zinc/12/81/68/720128168.db2.gz	QCIYAXHLBZRSNB-XMMPIXPASA-N	1	1	448.687	4.213	20	30		IIEDMO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12	ZINC001164781428	721440408	/nfs/dbraw/zinc/44/04/08/721440408.db2.gz	FWQGERWDPIQHTK-KBPBESRZSA-N	1	1	427.936	4.232	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@H]2CCCO[C@H]12	ZINC001164809375	721575177	/nfs/dbraw/zinc/57/51/77/721575177.db2.gz	WQIXBJMQMUKPIT-XJUOHMSHSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@H]2CCCO[C@H]12	ZINC001164809375	721575179	/nfs/dbraw/zinc/57/51/79/721575179.db2.gz	WQIXBJMQMUKPIT-XJUOHMSHSA-N	1	1	433.943	4.023	20	30		IIEDMO
Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c(C)c1Cl	ZINC001164907472	721585392	/nfs/dbraw/zinc/58/53/92/721585392.db2.gz	UAPFFVAOYDKKRP-OAQYLSRUSA-N	1	1	431.918	4.356	20	30		IIEDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164909450	721745668	/nfs/dbraw/zinc/74/56/68/721745668.db2.gz	ULDMTFRHITYQJN-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164909450	721745669	/nfs/dbraw/zinc/74/56/69/721745669.db2.gz	ULDMTFRHITYQJN-UHFFFAOYSA-N	1	1	443.885	4.334	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@@H]21	ZINC001165027748	721811033	/nfs/dbraw/zinc/81/10/33/721811033.db2.gz	VSODCBCQNVVQKR-UIAACRFSSA-N	1	1	431.918	4.283	20	30		IIEDMO
N#Cc1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnc2Cl)c1	ZINC001165044214	721926854	/nfs/dbraw/zinc/92/68/54/721926854.db2.gz	SOOPQPADWKLQAC-IBGZPJMESA-N	1	1	432.902	4.120	20	30		IIEDMO
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164694737	719890381	/nfs/dbraw/zinc/89/03/81/719890381.db2.gz	DQEYBQJLEQNKPH-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)C2	ZINC001164815480	720207273	/nfs/dbraw/zinc/20/72/73/720207273.db2.gz	ZYOUEQNTJFJOBJ-CMJOXMDJSA-N	1	1	446.929	4.223	20	30		IIEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164725806	720478058	/nfs/dbraw/zinc/47/80/58/720478058.db2.gz	KLQBCFLPENJZRP-MOPGFXCFSA-N	1	1	432.915	4.042	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2	ZINC001164843913	720680932	/nfs/dbraw/zinc/68/09/32/720680932.db2.gz	RUNKMFMEMZCGHW-SFHVURJKSA-N	1	1	446.929	4.411	20	30		IIEDMO
CC(C)c1ccc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164753920	720875126	/nfs/dbraw/zinc/87/51/26/720875126.db2.gz	QKNKEFKUUJEYKN-SHQCIBLASA-N	1	1	445.611	4.227	20	30		IIEDMO
Cc1ccc([C@@H](C#N)c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)cc1	ZINC001164863705	720926815	/nfs/dbraw/zinc/92/68/15/720926815.db2.gz	YSOHQKBIVXJDKJ-DENIHFKCSA-N	1	1	429.572	4.058	20	30		IIEDMO
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164785879	721440099	/nfs/dbraw/zinc/44/00/99/721440099.db2.gz	TUXWLNHKFMYGNF-STQMWFEESA-N	1	1	430.364	4.438	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2	ZINC001164795510	721498777	/nfs/dbraw/zinc/49/87/77/721498777.db2.gz	JPQHMPPRBPRUGU-UHFFFAOYSA-N	1	1	446.599	4.214	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]21	ZINC001165027299	721802803	/nfs/dbraw/zinc/80/28/03/721802803.db2.gz	VLCAIXWNONEWKF-XFQXTVEOSA-N	1	1	431.918	4.283	20	30		IIEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3ccccc3n1)CC2	ZINC001164711267	720141759	/nfs/dbraw/zinc/14/17/59/720141759.db2.gz	GSOUOQDTHAXECN-JOCHJYFZSA-N	1	1	427.552	4.009	20	30		IIEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2	ZINC001164815179	720202063	/nfs/dbraw/zinc/20/20/63/720202063.db2.gz	WRYDPSCUKYYMIG-WAIKUNEKSA-N	1	1	428.939	4.084	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCCC4(C)C)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164842607	720644532	/nfs/dbraw/zinc/64/45/32/720644532.db2.gz	SLEVGPQFSQAMBQ-XPWALMASSA-N	1	1	432.616	4.141	20	30		IIEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2	ZINC001164792226	721495939	/nfs/dbraw/zinc/49/59/39/721495939.db2.gz	KVVRTWNFCRFZFU-UHFFFAOYSA-N	1	1	431.918	4.428	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(C#N)c(Cl)c2c1	ZINC001164806888	721592025	/nfs/dbraw/zinc/59/20/25/721592025.db2.gz	NNHACWSQZLUOCQ-AOHZBQACSA-N	1	1	447.970	4.332	20	30		IIEDMO
Cc1ccc2nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(C#N)c(Cl)c2c1	ZINC001164806888	721592027	/nfs/dbraw/zinc/59/20/27/721592027.db2.gz	NNHACWSQZLUOCQ-AOHZBQACSA-N	1	1	447.970	4.332	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]21	ZINC001165027151	721814064	/nfs/dbraw/zinc/81/40/64/721814064.db2.gz	SOIIMGDYKHUOOA-YTQUADARSA-N	1	1	431.918	4.283	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]21	ZINC001165022596	721814114	/nfs/dbraw/zinc/81/41/14/721814114.db2.gz	FZVFKZVAMIUCMQ-QKYXUNIQSA-N	1	1	431.918	4.283	20	30		IIEDMO
Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1	ZINC001164953316	722013246	/nfs/dbraw/zinc/01/32/46/722013246.db2.gz	FCBQJNOPGMVPGA-XMMPIXPASA-N	1	1	438.579	4.328	20	30		IIEDMO
N#C[C@@H](c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nn1)c1ccccc1F	ZINC001164955921	722019243	/nfs/dbraw/zinc/01/92/43/722019243.db2.gz	SRFWZSKFETXQSO-JOCHJYFZSA-N	1	1	442.542	4.159	20	30		IIEDMO
Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C#C[Si](C)(C)C)c1	ZINC001164962209	722058135	/nfs/dbraw/zinc/05/81/35/722058135.db2.gz	PYPFNRZHENYZJC-UHFFFAOYSA-N	1	1	448.687	4.133	20	30		IIEDMO
Cc1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971623	722158949	/nfs/dbraw/zinc/15/89/49/722158949.db2.gz	CJLJGLMEONSYCP-CVDCTZTESA-N	1	1	447.970	4.191	20	30		IIEDMO
N#Cc1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(Cl)n1	ZINC001164694563	719892236	/nfs/dbraw/zinc/89/22/36/719892236.db2.gz	AEEQTKPMPTVHNP-UHFFFAOYSA-N	1	1	438.931	4.084	20	30		IIEDMO
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1F	ZINC001164726488	720389677	/nfs/dbraw/zinc/38/96/77/720389677.db2.gz	OVJPZFXQAQEIQW-LEWJYISDSA-N	1	1	434.906	4.056	20	30		IIEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccc(F)cc4)ccc3C#N)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164841673	720513458	/nfs/dbraw/zinc/51/34/58/720513458.db2.gz	ZJMBCUGJBMYABC-NMVJMZGASA-N	1	1	444.558	4.334	20	30		IIEDMO
CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1Cl	ZINC001164838049	720557271	/nfs/dbraw/zinc/55/72/71/720557271.db2.gz	NLQQDMRZLYLHJE-QHAWAJNXSA-N	1	1	426.996	4.133	20	30		IIEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(cc3C#N)CCCC4(C)C)CC[C@@H]21	ZINC001164842606	720645708	/nfs/dbraw/zinc/64/57/08/720645708.db2.gz	SLEVGPQFSQAMBQ-VJBWXMMDSA-N	1	1	432.616	4.141	20	30		IIEDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2	ZINC001164841044	720693546	/nfs/dbraw/zinc/69/35/46/720693546.db2.gz	HEAIUASWQFXNNO-LJQANCHMSA-N	1	1	446.929	4.411	20	30		IIEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@H]2CCCO[C@@H]12	ZINC001164809374	721575589	/nfs/dbraw/zinc/57/55/89/721575589.db2.gz	WQIXBJMQMUKPIT-QZNHQXDQSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@H]2CCCO[C@@H]12	ZINC001164809374	721575590	/nfs/dbraw/zinc/57/55/90/721575590.db2.gz	WQIXBJMQMUKPIT-QZNHQXDQSA-N	1	1	433.943	4.023	20	30		IIEDMO
C[Si](C)(C)C#Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1	ZINC001164910649	721736148	/nfs/dbraw/zinc/73/61/48/721736148.db2.gz	HKRWCWBRZIYHEY-HSZRJFAPSA-N	1	1	440.614	4.443	20	30		IIEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C[C@H]21	ZINC001165028883	721830096	/nfs/dbraw/zinc/83/00/96/721830096.db2.gz	VUKQQXCJOVSNHS-VXWZWFMZSA-N	1	1	442.523	4.147	20	30		IIEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164993230	722196873	/nfs/dbraw/zinc/19/68/73/722196873.db2.gz	DBRRTWWZFZGUMJ-QHCPKHFHSA-N	1	1	442.922	4.167	20	30		IIEDMO