smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(Cl)c2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165048122	721975020	/nfs/dbraw/zinc/97/50/20/721975020.db2.gz	JFECXONWIRHASS-INIZCTEOSA-N	1	0	368.912	4.605	20	30		FJEDRO
N#Cc1ccc(-c2cccs2)nc1N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165050602	721975712	/nfs/dbraw/zinc/97/57/12/721975712.db2.gz	ZQCFOTZGBUJGOQ-SFHVURJKSA-N	1	0	366.534	4.527	20	30		FJEDRO
CC[NH+](CC)C1CCN(c2c(C#N)c(Cl)nc3ccc(F)c(C)c32)CC1	ZINC001165054670	722008029	/nfs/dbraw/zinc/00/80/29/722008029.db2.gz	WWEYMUOVSHWMEZ-UHFFFAOYSA-N	1	0	374.891	4.518	20	30		FJEDRO
CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N	ZINC000602431921	567979650	/nfs/dbraw/zinc/97/96/50/567979650.db2.gz	GNWDBBINDLWFKS-GJZGRUSLSA-N	1	0	369.431	4.684	20	30		FJEDRO
C[C@@H](CCC#N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000602649341	568004796	/nfs/dbraw/zinc/00/47/96/568004796.db2.gz	CBJMFPMURLOULB-KBXCAEBGSA-N	1	0	354.416	4.703	20	30		FJEDRO
C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645056	568080545	/nfs/dbraw/zinc/08/05/45/568080545.db2.gz	NDLMQMHVEBTDJT-KOSHJBKYSA-N	1	0	370.500	4.921	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCOc2ccc(F)cc21	ZINC000481665353	568083740	/nfs/dbraw/zinc/08/37/40/568083740.db2.gz	CKMQFAMPLILVND-LEWJYISDSA-N	1	0	350.437	4.968	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(OCC(F)F)c1	ZINC000481667584	568083861	/nfs/dbraw/zinc/08/38/61/568083861.db2.gz	JUGATHUPMUZLRQ-FQEVSTJZSA-N	1	0	356.416	4.759	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1sccc1Br	ZINC000481677231	568085140	/nfs/dbraw/zinc/08/51/40/568085140.db2.gz	YREZUWOZXRDTEY-MRXNPFEDSA-N	1	0	361.308	4.940	20	30		FJEDRO
CC[C@@H](C[N@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1	ZINC000481731355	568098255	/nfs/dbraw/zinc/09/82/55/568098255.db2.gz	DZLUYVRRLYOYBQ-SFHVURJKSA-N	1	0	360.461	4.624	20	30		FJEDRO
C=CCOc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1Cl	ZINC000603518979	568109151	/nfs/dbraw/zinc/10/91/51/568109151.db2.gz	STCLGBZSHNSFAL-QGZVFWFLSA-N	1	0	359.853	4.527	20	30		FJEDRO
COC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997932	568219688	/nfs/dbraw/zinc/21/96/88/568219688.db2.gz	JMHNAGHPPOOOCA-RTWAWAEBSA-N	1	0	354.881	4.956	20	30		FJEDRO
C=CCOc1ccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl	ZINC000303211015	568258243	/nfs/dbraw/zinc/25/82/43/568258243.db2.gz	RHYRVKXXWQCIEJ-NRFANRHFSA-N	1	0	370.924	4.832	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1	ZINC000569106649	568277634	/nfs/dbraw/zinc/27/76/34/568277634.db2.gz	MIXRQPMZTFDJIF-FQEVSTJZSA-N	1	0	353.397	4.627	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1	ZINC000569251131	568319998	/nfs/dbraw/zinc/31/99/98/568319998.db2.gz	ZFNJLXGQNFXFLI-UGKGYDQZSA-N	1	0	363.480	4.592	20	30		FJEDRO
C=CC[C@@H](C)[NH2+][C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890638	568381784	/nfs/dbraw/zinc/38/17/84/568381784.db2.gz	DSRLZASTQAEAMU-KDOFPFPSSA-N	1	0	362.395	4.939	20	30		FJEDRO
COc1ccc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1O	ZINC000541994820	568387430	/nfs/dbraw/zinc/38/74/30/568387430.db2.gz	CGYPAVOGFWHEBY-MRXNPFEDSA-N	1	0	358.441	4.790	20	30		FJEDRO
CCCC[C@@](C)([NH2+]Cc1ccc(C#N)cn1)c1cccc(Br)c1	ZINC000569469206	568399468	/nfs/dbraw/zinc/39/94/68/568399468.db2.gz	QAGLJHVADISVBY-LJQANCHMSA-N	1	0	372.310	4.911	20	30		FJEDRO
N#Cc1ccccc1COc1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1	ZINC000569410629	568401178	/nfs/dbraw/zinc/40/11/78/568401178.db2.gz	CLDOVAJPCASSHC-UHFFFAOYSA-N	1	0	369.468	4.697	20	30		FJEDRO
COCCC[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1	ZINC000569413504	568401254	/nfs/dbraw/zinc/40/12/54/568401254.db2.gz	IYMJLBKQONPMDT-SIKLNZKXSA-N	1	0	368.908	4.999	20	30		FJEDRO
CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569704186	568413043	/nfs/dbraw/zinc/41/30/43/568413043.db2.gz	HRPLEKRXVNCKRT-KPZWWZAWSA-N	1	0	366.358	4.582	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(c3cccc(Cl)c3)CCOCC1)CC2	ZINC000569891669	568433922	/nfs/dbraw/zinc/43/39/22/568433922.db2.gz	DEMNWEXBHMGTLC-NRFANRHFSA-N	1	0	366.892	4.537	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(c3cccc(Cl)c3)CCOCC1)CC2	ZINC000569891677	568433968	/nfs/dbraw/zinc/43/39/68/568433968.db2.gz	DEMNWEXBHMGTLC-OAQYLSRUSA-N	1	0	366.892	4.537	20	30		FJEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(OCc2cccnc2)cc1	ZINC000570340369	568467506	/nfs/dbraw/zinc/46/75/06/568467506.db2.gz	WHTUOZWYMIYRHS-MRXNPFEDSA-N	1	0	361.420	4.522	20	30		FJEDRO
Fc1ccc(SCC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1	ZINC000605026538	568531410	/nfs/dbraw/zinc/53/14/10/568531410.db2.gz	ADADHAAVTVGHMJ-UHFFFAOYSA-N	1	0	361.326	4.735	20	30		FJEDRO
C[C@@H]([NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1	ZINC000182046785	568677804	/nfs/dbraw/zinc/67/78/04/568677804.db2.gz	HDTYGEMENZGOBX-PNCHPQGNSA-N	1	0	364.489	4.534	20	30		FJEDRO
N#Cc1ccc(OCC[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1	ZINC000015572198	211132551	/nfs/dbraw/zinc/13/25/51/211132551.db2.gz	SFMZEVPAGNGKEQ-FQEVSTJZSA-N	1	0	366.511	4.708	20	30		FJEDRO
CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N	ZINC000602431922	567979679	/nfs/dbraw/zinc/97/96/79/567979679.db2.gz	GNWDBBINDLWFKS-HUUCEWRRSA-N	1	0	369.431	4.684	20	30		FJEDRO
COc1ccc2ccccc2c1-c1cc(C[NH2+]C2CCC(C#N)CC2)on1	ZINC000602587423	567994441	/nfs/dbraw/zinc/99/44/41/567994441.db2.gz	GVWOXVPQMNQNOV-UHFFFAOYSA-N	1	0	361.445	4.675	20	30		FJEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000602646633	568004264	/nfs/dbraw/zinc/00/42/64/568004264.db2.gz	QZDCHBRNLIWWAL-QGPMSJSTSA-N	1	0	366.427	4.640	20	30		FJEDRO
N#CC1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1	ZINC000602656296	568006314	/nfs/dbraw/zinc/00/63/14/568006314.db2.gz	XUPAYLTUOAOKPH-DNOPENIRSA-N	1	0	366.427	4.845	20	30		FJEDRO
Cc1nc(C(C)C)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000568301105	568031286	/nfs/dbraw/zinc/03/12/86/568031286.db2.gz	UVLDSBZPPOGIEU-UHFFFAOYSA-N	1	0	367.468	4.568	20	30		FJEDRO
C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C#N)cc1C(F)(F)F	ZINC000568573309	568058466	/nfs/dbraw/zinc/05/84/66/568058466.db2.gz	XVVCDYPECSDTTP-GWCFXTLKSA-N	1	0	350.306	4.740	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000481650398	568080624	/nfs/dbraw/zinc/08/06/24/568080624.db2.gz	NOTWUZFPTZQPND-BDTNDASRSA-N	1	0	368.427	4.724	20	30		FJEDRO
CN(C)c1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481652171	568080666	/nfs/dbraw/zinc/08/06/66/568080666.db2.gz	GCHNJGYKUYDYNJ-QFIPXVFZSA-N	1	0	370.500	4.730	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1c(F)cccc1OC(F)F	ZINC000481669299	568080898	/nfs/dbraw/zinc/08/08/98/568080898.db2.gz	MNNLCTGHNNASTR-SFHVURJKSA-N	1	0	360.379	4.856	20	30		FJEDRO
CCOc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481669954	568081150	/nfs/dbraw/zinc/08/11/50/568081150.db2.gz	NMMAFBQCVFHLQM-HXUWFJFHSA-N	1	0	350.462	4.523	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCOc2ccc(F)cc21	ZINC000481665357	568083387	/nfs/dbraw/zinc/08/33/87/568083387.db2.gz	CKMQFAMPLILVND-SFTDATJTSA-N	1	0	350.437	4.968	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCOc2ccc(F)cc21	ZINC000481665354	568083670	/nfs/dbraw/zinc/08/36/70/568083670.db2.gz	CKMQFAMPLILVND-NHCUHLMSSA-N	1	0	350.437	4.968	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680249	568084894	/nfs/dbraw/zinc/08/48/94/568084894.db2.gz	YIVCKXBZNFANRM-ZJSXRUAMSA-N	1	0	374.484	4.838	20	30		FJEDRO
COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677714	568085458	/nfs/dbraw/zinc/08/54/58/568085458.db2.gz	LRMDTWCCBWVLGB-YCRPNKLZSA-N	1	0	350.462	4.694	20	30		FJEDRO
Cc1ccc([C@H](C)[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000603849714	568164387	/nfs/dbraw/zinc/16/43/87/568164387.db2.gz	AVLNTPKDIJXKFX-FQEVSTJZSA-N	1	0	363.505	4.552	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(N2CCCCCC2)nc1	ZINC000481912624	568178311	/nfs/dbraw/zinc/17/83/11/568178311.db2.gz	AXWBCFGXDNBQSS-QHCPKHFHSA-N	1	0	374.532	4.891	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(Cc2ccccc2)CC1	ZINC000481930654	568189667	/nfs/dbraw/zinc/18/96/67/568189667.db2.gz	GUZZDHIIDGWCFL-XMMPIXPASA-N	1	0	359.517	4.580	20	30		FJEDRO
Cc1nc(-c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)cc2)cs1	ZINC000541904509	568208247	/nfs/dbraw/zinc/20/82/47/568208247.db2.gz	CJGJEAFIKRDKQU-CYBMUJFWSA-N	1	0	351.450	4.980	20	30		FJEDRO
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000481987174	568215704	/nfs/dbraw/zinc/21/57/04/568215704.db2.gz	BDAHXMGAHYJAOX-BTYIYWSLSA-N	1	0	350.510	4.937	20	30		FJEDRO
CCCC[C@](C)([NH2+]Cc1ccc(C#N)cn1)c1cccc(Br)c1	ZINC000569469205	568399460	/nfs/dbraw/zinc/39/94/60/568399460.db2.gz	QAGLJHVADISVBY-IBGZPJMESA-N	1	0	372.310	4.911	20	30		FJEDRO
C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000569494694	568403734	/nfs/dbraw/zinc/40/37/34/568403734.db2.gz	JXBMIQVJXTXAPP-MRXNPFEDSA-N	1	0	352.441	4.952	20	30		FJEDRO
N#Cc1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc1	ZINC000569937355	568435134	/nfs/dbraw/zinc/43/51/34/568435134.db2.gz	KHAZIXLMGJQIEC-UHFFFAOYSA-N	1	0	368.893	4.596	20	30		FJEDRO
CCOc1ccccc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000236944244	567937720	/nfs/dbraw/zinc/93/77/20/567937720.db2.gz	NFTCEUMFLMEEAW-UHFFFAOYSA-N	1	0	372.468	4.826	20	30		FJEDRO
CCOc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1	ZINC000236944289	567937798	/nfs/dbraw/zinc/93/77/98/567937798.db2.gz	PWGSRNPMSSSXFA-UHFFFAOYSA-N	1	0	372.468	4.826	20	30		FJEDRO
C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	ZINC000602515082	567986494	/nfs/dbraw/zinc/98/64/94/567986494.db2.gz	TXOLZKAXQQQQDL-IRXDYDNUSA-N	1	0	367.468	4.597	20	30		FJEDRO
C[C@H](CCC#N)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	ZINC000602515083	567986546	/nfs/dbraw/zinc/98/65/46/567986546.db2.gz	TXOLZKAXQQQQDL-SJORKVTESA-N	1	0	367.468	4.597	20	30		FJEDRO
N#CC1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000602543559	567989994	/nfs/dbraw/zinc/98/99/94/567989994.db2.gz	DLBHBIIAFAVELC-UHFFFAOYSA-N	1	0	366.336	4.630	20	30		FJEDRO
C[C@@H](CCC#N)C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1	ZINC000602538183	567992590	/nfs/dbraw/zinc/99/25/90/567992590.db2.gz	JZDUMERVCOTLLZ-IBGZPJMESA-N	1	0	358.489	4.628	20	30		FJEDRO
CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCC[C@@H]1C#N	ZINC000602766185	568026852	/nfs/dbraw/zinc/02/68/52/568026852.db2.gz	DCLNQNNDUGDOGI-DYESRHJHSA-N	1	0	368.525	4.607	20	30		FJEDRO
CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)s1	ZINC000568544276	568049939	/nfs/dbraw/zinc/04/99/39/568049939.db2.gz	ZVUPSAREGBOQCN-QGZVFWFLSA-N	1	0	359.926	4.983	20	30		FJEDRO
C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C#N)cc1C(F)(F)F	ZINC000568573311	568058449	/nfs/dbraw/zinc/05/84/49/568058449.db2.gz	XVVCDYPECSDTTP-MFKMUULPSA-N	1	0	350.306	4.740	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Br)s1	ZINC000481647323	568080334	/nfs/dbraw/zinc/08/03/34/568080334.db2.gz	SYKGQBKREJXZSU-MRXNPFEDSA-N	1	0	361.308	4.940	20	30		FJEDRO
COC(=O)CC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653016	568080527	/nfs/dbraw/zinc/08/05/27/568080527.db2.gz	SXXZOAQELOUILH-VXKWHMMOSA-N	1	0	362.473	4.610	20	30		FJEDRO
C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659133	568081522	/nfs/dbraw/zinc/08/15/22/568081522.db2.gz	OKCQFMUTKDMIKC-UZUQRXQVSA-N	1	0	356.473	4.862	20	30		FJEDRO
C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659131	568081680	/nfs/dbraw/zinc/08/16/80/568081680.db2.gz	OKCQFMUTKDMIKC-SBUREZEXSA-N	1	0	356.473	4.862	20	30		FJEDRO
CCCCCn1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c(C)n1	ZINC000481659041	568082159	/nfs/dbraw/zinc/08/21/59/568082159.db2.gz	IGMPRGAEQMWYCY-JOCHJYFZSA-N	1	0	350.510	4.811	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680246	568085544	/nfs/dbraw/zinc/08/55/44/568085544.db2.gz	YIVCKXBZNFANRM-QPPBQGQZSA-N	1	0	374.484	4.838	20	30		FJEDRO
C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000008118531	568140931	/nfs/dbraw/zinc/14/09/31/568140931.db2.gz	MHVBMZBHGKWSRG-GJZGRUSLSA-N	1	0	367.518	4.566	20	30		FJEDRO
COC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997930	568219682	/nfs/dbraw/zinc/21/96/82/568219682.db2.gz	JMHNAGHPPOOOCA-LEWJYISDSA-N	1	0	354.881	4.956	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000481998844	568219901	/nfs/dbraw/zinc/21/99/01/568219901.db2.gz	JUCUZMDPRSZEJL-PMVMPFDFSA-N	1	0	364.464	4.975	20	30		FJEDRO
CSC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	ZINC000541916556	568233233	/nfs/dbraw/zinc/23/32/33/568233233.db2.gz	KYSJSHBBUVCLOC-KRWDZBQOSA-N	1	0	350.409	4.771	20	30		FJEDRO
CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569057923	568293662	/nfs/dbraw/zinc/29/36/62/568293662.db2.gz	HKCHWSRHHQMAKR-GOSISDBHSA-N	1	0	360.379	4.753	20	30		FJEDRO
N#CCCC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1	ZINC000563157341	568382502	/nfs/dbraw/zinc/38/25/02/568382502.db2.gz	AXIODFCJZAFRMJ-UHFFFAOYSA-N	1	0	359.473	4.653	20	30		FJEDRO
COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccc(C#N)cc2F)cc1	ZINC000569395600	568400499	/nfs/dbraw/zinc/40/04/99/568400499.db2.gz	CCZGNZMAYFNANT-HSZRJFAPSA-N	1	0	360.432	4.780	20	30		FJEDRO
COc1cccc(C[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)c2ccccc2)c1	ZINC000569628472	568411064	/nfs/dbraw/zinc/41/10/64/568411064.db2.gz	JBLSCPLUFRQGPA-QHCPKHFHSA-N	1	0	372.468	4.649	20	30		FJEDRO
CC[C@H]([NH2+]CCCc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1	ZINC000569660901	568416433	/nfs/dbraw/zinc/41/64/33/568416433.db2.gz	IKGONGWMKQVIES-QHCPKHFHSA-N	1	0	358.489	4.726	20	30		FJEDRO
Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000570020910	568441012	/nfs/dbraw/zinc/44/10/12/568441012.db2.gz	BYJREXWYVUTWPU-HSZRJFAPSA-N	1	0	356.473	4.610	20	30		FJEDRO
C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000542013617	568543295	/nfs/dbraw/zinc/54/32/95/568543295.db2.gz	IHYNVSFEPFCGSO-QGZVFWFLSA-N	1	0	352.441	4.724	20	30		FJEDRO
C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000542012949	568573887	/nfs/dbraw/zinc/57/38/87/568573887.db2.gz	ZDYVAOMSMMECBC-GOSISDBHSA-N	1	0	369.468	4.539	20	30		FJEDRO
C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1Cl)c1ccc(-c2cncnc2)cc1	ZINC000365429182	568662227	/nfs/dbraw/zinc/66/22/27/568662227.db2.gz	RFAXHXRMWOMVJF-CYBMUJFWSA-N	1	0	366.827	4.659	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4sc(Cl)cc43)CC2)cc1	ZINC000568144774	567939979	/nfs/dbraw/zinc/93/99/79/567939979.db2.gz	ZZLRDBMSIFWPEM-KRWDZBQOSA-N	1	0	357.910	4.519	20	30		FJEDRO
C[C@H](CCC#N)C[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1	ZINC000602515081	567986480	/nfs/dbraw/zinc/98/64/80/567986480.db2.gz	TXOLZKAXQQQQDL-IAGOWNOFSA-N	1	0	367.468	4.597	20	30		FJEDRO
Cc1nc(-c2ccc([C@@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513433	567989520	/nfs/dbraw/zinc/98/95/20/567989520.db2.gz	XVRLBGLCTFOMAL-JKSUJKDBSA-N	1	0	369.534	4.868	20	30		FJEDRO
CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCC[C@@H]1C#N	ZINC000602766188	568026780	/nfs/dbraw/zinc/02/67/80/568026780.db2.gz	DCLNQNNDUGDOGI-UTKZUKDTSA-N	1	0	368.525	4.607	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(Br)c1	ZINC000481649652	568080155	/nfs/dbraw/zinc/08/01/55/568080155.db2.gz	GXNZXVZKHBOENC-IBGZPJMESA-N	1	0	355.279	4.878	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Br)s1	ZINC000481647322	568080265	/nfs/dbraw/zinc/08/02/65/568080265.db2.gz	SYKGQBKREJXZSU-INIZCTEOSA-N	1	0	361.308	4.940	20	30		FJEDRO
C=CCOc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1Cl	ZINC000603518978	568109061	/nfs/dbraw/zinc/10/90/61/568109061.db2.gz	STCLGBZSHNSFAL-KRWDZBQOSA-N	1	0	359.853	4.527	20	30		FJEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c1C	ZINC000603850916	568165229	/nfs/dbraw/zinc/16/52/29/568165229.db2.gz	JKOWDEZPEUZMEE-QHCPKHFHSA-N	1	0	363.505	4.537	20	30		FJEDRO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](C2CC2)C2CCC(C)CC2)c1C	ZINC000603856533	568168240	/nfs/dbraw/zinc/16/82/40/568168240.db2.gz	ZQKLKSYTIAYVGJ-UHFFFAOYSA-N	1	0	367.537	4.593	20	30		FJEDRO
CC1CCN(c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cn2)CC1	ZINC000481913061	568178010	/nfs/dbraw/zinc/17/80/10/568178010.db2.gz	COOUNGQKTDEYOT-HSZRJFAPSA-N	1	0	374.532	4.747	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(N2CCCCCC2)nc1	ZINC000481912623	568180753	/nfs/dbraw/zinc/18/07/53/568180753.db2.gz	AXWBCFGXDNBQSS-HSZRJFAPSA-N	1	0	374.532	4.891	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(Cc2ccccc2)CC1	ZINC000481930653	568189701	/nfs/dbraw/zinc/18/97/01/568189701.db2.gz	GUZZDHIIDGWCFL-DEOSSOPVSA-N	1	0	359.517	4.580	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)c(C(F)(F)F)c1	ZINC000568938075	568253901	/nfs/dbraw/zinc/25/39/01/568253901.db2.gz	SVJQALZXZJWKIN-INIZCTEOSA-N	1	0	366.770	4.844	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3Br)CC2	ZINC000569174524	568303888	/nfs/dbraw/zinc/30/38/88/568303888.db2.gz	NLGDKKIDPNDNKN-MOPGFXCFSA-N	1	0	353.263	4.585	20	30		FJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890642	568381759	/nfs/dbraw/zinc/38/17/59/568381759.db2.gz	DSRLZASTQAEAMU-RDTXWAMCSA-N	1	0	362.395	4.939	20	30		FJEDRO
Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCc2ccc(C#N)cc21	ZINC000569628473	568411059	/nfs/dbraw/zinc/41/10/59/568411059.db2.gz	JDBAYUCKUOTVRT-IBGZPJMESA-N	1	0	355.279	4.715	20	30		FJEDRO
CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569704192	568413059	/nfs/dbraw/zinc/41/30/59/568413059.db2.gz	HRPLEKRXVNCKRT-SGTLLEGYSA-N	1	0	366.358	4.582	20	30		FJEDRO
Cc1nc(-c2ccc(CC[NH2+][C@H]3CCc4ccc(C#N)cc43)s2)cs1	ZINC000570090599	568458479	/nfs/dbraw/zinc/45/84/79/568458479.db2.gz	UHROZZGBEUHSTJ-SFHVURJKSA-N	1	0	365.527	4.871	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000542004798	568630435	/nfs/dbraw/zinc/63/04/35/568630435.db2.gz	ALTQTWQEENANAE-MSOLQXFVSA-N	1	0	369.468	4.903	20	30		FJEDRO
CC(C)[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1	ZINC000063750801	567983556	/nfs/dbraw/zinc/98/35/56/567983556.db2.gz	JJTYFAAABIEPAR-UHFFFAOYSA-N	1	0	371.484	4.951	20	30		FJEDRO
Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513429	567989442	/nfs/dbraw/zinc/98/94/42/567989442.db2.gz	XVRLBGLCTFOMAL-HOTGVXAUSA-N	1	0	369.534	4.868	20	30		FJEDRO
C[C@H](CCC#N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000602649344	568004842	/nfs/dbraw/zinc/00/48/42/568004842.db2.gz	CBJMFPMURLOULB-RDTXWAMCSA-N	1	0	354.416	4.703	20	30		FJEDRO
CC(C)(CO)[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481645601	568080178	/nfs/dbraw/zinc/08/01/78/568080178.db2.gz	OMQZBHVNYODAOP-PKTZIBPZSA-N	1	0	362.517	4.718	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000481650406	568080502	/nfs/dbraw/zinc/08/05/02/568080502.db2.gz	NOTWUZFPTZQPND-FKBYEOEOSA-N	1	0	368.427	4.724	20	30		FJEDRO
CCOc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481669953	568080876	/nfs/dbraw/zinc/08/08/76/568080876.db2.gz	NMMAFBQCVFHLQM-FQEVSTJZSA-N	1	0	350.462	4.523	20	30		FJEDRO
CCOc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccc1OC	ZINC000481660730	568082340	/nfs/dbraw/zinc/08/23/40/568082340.db2.gz	SQOLXBLDJLBXFU-FQEVSTJZSA-N	1	0	350.462	4.523	20	30		FJEDRO
Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)c2)cn1	ZINC000481668377	568083643	/nfs/dbraw/zinc/08/36/43/568083643.db2.gz	IMCPQQHNVRZCNB-HSZRJFAPSA-N	1	0	356.473	4.516	20	30		FJEDRO
COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1OCCCC#N	ZINC000069878414	568098064	/nfs/dbraw/zinc/09/80/64/568098064.db2.gz	SKSBZNKWGCJZLD-UHFFFAOYSA-N	1	0	370.880	4.810	20	30		FJEDRO
C=CCc1cc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)cc(OC)c1O	ZINC000603511805	568110691	/nfs/dbraw/zinc/11/06/91/568110691.db2.gz	GOFCFHNDZQZRCS-UHFFFAOYSA-N	1	0	350.462	4.517	20	30		FJEDRO
C=CCCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1	ZINC000522775579	568131557	/nfs/dbraw/zinc/13/15/57/568131557.db2.gz	DQKUENJLUXWWST-UHFFFAOYSA-N	1	0	353.441	4.794	20	30		FJEDRO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c1C	ZINC000603850915	568165213	/nfs/dbraw/zinc/16/52/13/568165213.db2.gz	JKOWDEZPEUZMEE-HSZRJFAPSA-N	1	0	363.505	4.537	20	30		FJEDRO
Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481910931	568180785	/nfs/dbraw/zinc/18/07/85/568180785.db2.gz	OIUQHCVRZYCOMU-XMMPIXPASA-N	1	0	370.500	4.918	20	30		FJEDRO
CCCOc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481916133	568182487	/nfs/dbraw/zinc/18/24/87/568182487.db2.gz	WWNVPDBZJJDUSP-NRFANRHFSA-N	1	0	364.489	4.913	20	30		FJEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCCC)[C@@H](CC)c2ccccc2)CC1	ZINC000604083866	568209472	/nfs/dbraw/zinc/20/94/72/568209472.db2.gz	VZOPEHFTPIKQAT-QFIPXVFZSA-N	1	0	371.569	4.990	20	30		FJEDRO
Cc1nc(-c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)cc2)cs1	ZINC000541904510	568212323	/nfs/dbraw/zinc/21/23/23/568212323.db2.gz	CJGJEAFIKRDKQU-ZDUSSCGKSA-N	1	0	351.450	4.980	20	30		FJEDRO
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481987175	568215740	/nfs/dbraw/zinc/21/57/40/568215740.db2.gz	BDAHXMGAHYJAOX-QVKFZJNVSA-N	1	0	350.510	4.937	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000481998845	568219839	/nfs/dbraw/zinc/21/98/39/568219839.db2.gz	JUCUZMDPRSZEJL-PUHATCMVSA-N	1	0	364.464	4.975	20	30		FJEDRO
C=CCOc1ccc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl	ZINC000303211016	568258211	/nfs/dbraw/zinc/25/82/11/568258211.db2.gz	RHYRVKXXWQCIEJ-OAQYLSRUSA-N	1	0	370.924	4.832	20	30		FJEDRO
Cn1ccnc1[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(F)c1	ZINC000584694956	568286858	/nfs/dbraw/zinc/28/68/58/568286858.db2.gz	ARGBGVFXYDKQKU-FGZHOGPDSA-N	1	0	374.463	4.578	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c1cccc3Br)CC2	ZINC000569174531	568303890	/nfs/dbraw/zinc/30/38/90/568303890.db2.gz	NLGDKKIDPNDNKN-OALUTQOASA-N	1	0	353.263	4.585	20	30		FJEDRO
COCC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000569247253	568319005	/nfs/dbraw/zinc/31/90/05/568319005.db2.gz	FLFGQPWXIQHNOG-SFHVURJKSA-N	1	0	367.251	4.872	20	30		FJEDRO
COCCC[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1	ZINC000569413505	568401213	/nfs/dbraw/zinc/40/12/13/568401213.db2.gz	IYMJLBKQONPMDT-UGKGYDQZSA-N	1	0	368.908	4.999	20	30		FJEDRO
Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21	ZINC000569628476	568411036	/nfs/dbraw/zinc/41/10/36/568411036.db2.gz	JDBAYUCKUOTVRT-LJQANCHMSA-N	1	0	355.279	4.715	20	30		FJEDRO
Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000570020915	568441003	/nfs/dbraw/zinc/44/10/03/568441003.db2.gz	BYJREXWYVUTWPU-QHCPKHFHSA-N	1	0	356.473	4.610	20	30		FJEDRO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H]3c3ccncc3)c2)c1	ZINC000569968512	568444957	/nfs/dbraw/zinc/44/49/57/568444957.db2.gz	ICOICZVEIBBIBJ-DEOSSOPVSA-N	1	0	369.468	4.869	20	30		FJEDRO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H]3c3ccncc3)c2)c1	ZINC000569968513	568444980	/nfs/dbraw/zinc/44/49/80/568444980.db2.gz	ICOICZVEIBBIBJ-XMMPIXPASA-N	1	0	369.468	4.869	20	30		FJEDRO
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1	ZINC000463282337	567831604	/nfs/dbraw/zinc/83/16/04/567831604.db2.gz	BMCPCJNAWNIKPY-DMVWFOPNSA-N	1	0	365.340	4.904	20	30		FJEDRO
C=CC[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1	ZINC000188785652	568010713	/nfs/dbraw/zinc/01/07/13/568010713.db2.gz	QFQOTRWVLXKOAZ-HRTMPFAESA-N	1	0	354.538	4.506	20	30		FJEDRO
COC(=O)CC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653014	568080059	/nfs/dbraw/zinc/08/00/59/568080059.db2.gz	SXXZOAQELOUILH-FCHUYYIVSA-N	1	0	362.473	4.610	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1c(F)cccc1OC(F)F	ZINC000481669298	568083542	/nfs/dbraw/zinc/08/35/42/568083542.db2.gz	MNNLCTGHNNASTR-GOSISDBHSA-N	1	0	360.379	4.856	20	30		FJEDRO
COC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1	ZINC000481667798	568083792	/nfs/dbraw/zinc/08/37/92/568083792.db2.gz	HRUVYGSLNFAAOO-RTWAWAEBSA-N	1	0	356.416	4.581	20	30		FJEDRO
C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2n1C(F)F	ZINC000603425224	568096446	/nfs/dbraw/zinc/09/64/46/568096446.db2.gz	SEFQUDMTIFEKDY-CQSZACIVSA-N	1	0	366.415	4.837	20	30		FJEDRO
C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2n1C(F)F	ZINC000603425220	568096448	/nfs/dbraw/zinc/09/64/48/568096448.db2.gz	SEFQUDMTIFEKDY-AWEZNQCLSA-N	1	0	366.415	4.837	20	30		FJEDRO
Fc1ccc2c(c1)[nH+]ccc2N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	ZINC000603493321	568107736	/nfs/dbraw/zinc/10/77/36/568107736.db2.gz	BJMOEMNMBKWDCV-AOOOYVTPSA-N	1	0	366.280	4.941	20	30		FJEDRO
C=CCc1cc(C[NH2+]Cc2cccc(Cl)c2Cl)cc(OC)c1O	ZINC000603513506	568111206	/nfs/dbraw/zinc/11/12/06/568111206.db2.gz	CGSILRNNJRONPF-UHFFFAOYSA-N	1	0	352.261	4.726	20	30		FJEDRO
C=CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(OC)cc23)cc1Cl	ZINC000603516680	568111748	/nfs/dbraw/zinc/11/17/48/568111748.db2.gz	YEQIAEDBNIKVEF-UHFFFAOYSA-N	1	0	370.880	4.727	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1	ZINC000568685927	568122584	/nfs/dbraw/zinc/12/25/84/568122584.db2.gz	IZLUHVUINZXEEG-INIZCTEOSA-N	1	0	352.400	4.549	20	30		FJEDRO
Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000603684846	568135300	/nfs/dbraw/zinc/13/53/00/568135300.db2.gz	BRQLZVDNSXPQAA-HXUWFJFHSA-N	1	0	363.505	4.552	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(OC2CCCC2)nc1	ZINC000481917336	568183128	/nfs/dbraw/zinc/18/31/28/568183128.db2.gz	FREVXYMSWZFXBV-QFIPXVFZSA-N	1	0	361.489	4.832	20	30		FJEDRO
Cc1ccc(-c2ncco2)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000541928363	568252784	/nfs/dbraw/zinc/25/27/84/568252784.db2.gz	DUARDXVLRXVKBL-UHFFFAOYSA-N	1	0	372.472	4.598	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c1cccc3Br)CC2	ZINC000569174532	568303860	/nfs/dbraw/zinc/30/38/60/568303860.db2.gz	NLGDKKIDPNDNKN-RBUKOAKNSA-N	1	0	353.263	4.585	20	30		FJEDRO
N#Cc1cccc(/C=C\c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1	ZINC000609475217	568319921	/nfs/dbraw/zinc/31/99/21/568319921.db2.gz	PVUSEOBDWOKZRP-KHPPLWFESA-N	1	0	370.456	4.765	20	30		FJEDRO
COc1cc(C[NH2+]Cc2c(OC(C)C)ccc3ccccc32)ccc1C#N	ZINC000569746359	568414638	/nfs/dbraw/zinc/41/46/38/568414638.db2.gz	KVNXIBUGXCNHDG-UHFFFAOYSA-N	1	0	360.457	4.797	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C#N)c1	ZINC000182047015	568677718	/nfs/dbraw/zinc/67/77/18/568677718.db2.gz	WBMWPQXJISHIJT-STSQHVNTSA-N	1	0	364.489	4.534	20	30		FJEDRO
C=CCOc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1	ZINC000062420900	567951730	/nfs/dbraw/zinc/95/17/30/567951730.db2.gz	IBSMVAKNWYMJFL-INIZCTEOSA-N	1	0	365.452	4.735	20	30		FJEDRO
Cc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	ZINC000063505280	567979868	/nfs/dbraw/zinc/97/98/68/567979868.db2.gz	MMYNHYHCPRTTQT-OAHLLOKOSA-N	1	0	355.869	4.542	20	30		FJEDRO
C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C#N)cc1C(F)(F)F	ZINC000568573310	568058435	/nfs/dbraw/zinc/05/84/35/568058435.db2.gz	XVVCDYPECSDTTP-GXFFZTMASA-N	1	0	350.306	4.740	20	30		FJEDRO
Cn1ccnc1[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F	ZINC000568580497	568061122	/nfs/dbraw/zinc/06/11/22/568061122.db2.gz	PCKBNSBFWYNVSB-VXKWHMMOSA-N	1	0	374.463	4.578	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(Br)c1	ZINC000481649653	568080491	/nfs/dbraw/zinc/08/04/91/568080491.db2.gz	GXNZXVZKHBOENC-LJQANCHMSA-N	1	0	355.279	4.878	20	30		FJEDRO
COc1cc(F)c([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481659556	568082121	/nfs/dbraw/zinc/08/21/21/568082121.db2.gz	QJHVXCAXFCKJHU-XOBRGWDASA-N	1	0	368.452	4.833	20	30		FJEDRO
COC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1	ZINC000481667797	568083589	/nfs/dbraw/zinc/08/35/89/568083589.db2.gz	HRUVYGSLNFAAOO-NHCUHLMSSA-N	1	0	356.416	4.581	20	30		FJEDRO
CC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669656	568083689	/nfs/dbraw/zinc/08/36/89/568083689.db2.gz	KOGSOYQOVSSMRI-NHCUHLMSSA-N	1	0	362.473	4.838	20	30		FJEDRO
CC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669654	568083768	/nfs/dbraw/zinc/08/37/68/568083768.db2.gz	KOGSOYQOVSSMRI-LEWJYISDSA-N	1	0	362.473	4.838	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(Br)cc1	ZINC000481668766	568083789	/nfs/dbraw/zinc/08/37/89/568083789.db2.gz	URGQWOMRQTZWDK-LJQANCHMSA-N	1	0	355.279	4.878	20	30		FJEDRO
COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677707	568085476	/nfs/dbraw/zinc/08/54/76/568085476.db2.gz	LRMDTWCCBWVLGB-BTYIYWSLSA-N	1	0	350.462	4.694	20	30		FJEDRO
COc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481679865	568085832	/nfs/dbraw/zinc/08/58/32/568085832.db2.gz	WJQJLESGAQTITA-NRFANRHFSA-N	1	0	357.457	4.672	20	30		FJEDRO
CC[C@H](C[N@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1	ZINC000481731354	568098423	/nfs/dbraw/zinc/09/84/23/568098423.db2.gz	DZLUYVRRLYOYBQ-GOSISDBHSA-N	1	0	360.461	4.624	20	30		FJEDRO
Cc1ccc([C@H](C)[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1	ZINC000603684845	568135313	/nfs/dbraw/zinc/13/53/13/568135313.db2.gz	BRQLZVDNSXPQAA-FQEVSTJZSA-N	1	0	363.505	4.552	20	30		FJEDRO
Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c(C[NH+](C)C)c1	ZINC000603695164	568136816	/nfs/dbraw/zinc/13/68/16/568136816.db2.gz	KZVCSMJNNPUDRQ-UHFFFAOYSA-N	1	0	368.480	4.709	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000008118533	568140957	/nfs/dbraw/zinc/14/09/57/568140957.db2.gz	MHVBMZBHGKWSRG-LSDHHAIUSA-N	1	0	367.518	4.566	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(c2ccccc2)CCOCC1	ZINC000481913836	568182040	/nfs/dbraw/zinc/18/20/40/568182040.db2.gz	HTCLSQCXAYYQOG-HSZRJFAPSA-N	1	0	360.501	4.664	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000481998843	568219835	/nfs/dbraw/zinc/21/98/35/568219835.db2.gz	JUCUZMDPRSZEJL-AKIFATBCSA-N	1	0	364.464	4.975	20	30		FJEDRO
N#Cc1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)c(C(F)(F)F)c1	ZINC000569038667	568277658	/nfs/dbraw/zinc/27/76/58/568277658.db2.gz	UHBAPUHSWVHTCI-UHFFFAOYSA-N	1	0	361.342	4.530	20	30		FJEDRO
COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2cc(C#N)ccc2F)cc1	ZINC000569040080	568278257	/nfs/dbraw/zinc/27/82/57/568278257.db2.gz	UKJOUDIDRWCONI-QHCPKHFHSA-N	1	0	360.432	4.780	20	30		FJEDRO
N#Cc1cccc(COc2cccc(CN3CCCC[C@@H]3c3cc[nH]n3)c2)c1	ZINC000569052546	568282289	/nfs/dbraw/zinc/28/22/89/568282289.db2.gz	NRFKXYSVFABCNC-HSZRJFAPSA-N	1	0	372.472	4.588	20	30		FJEDRO
CCCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1	ZINC000604494853	568304273	/nfs/dbraw/zinc/30/42/73/568304273.db2.gz	CGHQOHLPVCADFE-HXUWFJFHSA-N	1	0	363.505	4.797	20	30		FJEDRO
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1	ZINC000463282328	567831229	/nfs/dbraw/zinc/83/12/29/567831229.db2.gz	BMCPCJNAWNIKPY-CTWCOEIASA-N	1	0	365.340	4.904	20	30		FJEDRO
COc1ccccc1-c1csc(C2CC[NH+](C[C@@H](C)CCC#N)CC2)n1	ZINC000602632503	568001431	/nfs/dbraw/zinc/00/14/31/568001431.db2.gz	URMIRMZVCQTBIT-INIZCTEOSA-N	1	0	369.534	4.938	20	30		FJEDRO
COc1cc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1C#N	ZINC000568570635	568056970	/nfs/dbraw/zinc/05/69/70/568056970.db2.gz	TZLHTYWXRDSCNE-AWEZNQCLSA-N	1	0	358.869	4.858	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1Br	ZINC000481645993	568080090	/nfs/dbraw/zinc/08/00/90/568080090.db2.gz	PNIMNBQXAXESBN-IBGZPJMESA-N	1	0	355.279	4.878	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(Br)cc1	ZINC000481668765	568081015	/nfs/dbraw/zinc/08/10/15/568081015.db2.gz	URGQWOMRQTZWDK-IBGZPJMESA-N	1	0	355.279	4.878	20	30		FJEDRO
C=CCc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc(OC)c1O	ZINC000603511987	568110776	/nfs/dbraw/zinc/11/07/76/568110776.db2.gz	WBYPSEFALLCUSE-UHFFFAOYSA-N	1	0	355.478	4.596	20	30		FJEDRO
C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000008118534	568140976	/nfs/dbraw/zinc/14/09/76/568140976.db2.gz	MHVBMZBHGKWSRG-HUUCEWRRSA-N	1	0	367.518	4.566	20	30		FJEDRO
C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1(c2ccccc2)CCCC1	ZINC000481839378	568146176	/nfs/dbraw/zinc/14/61/76/568146176.db2.gz	JSIFCNKNLUBSIL-QGZVFWFLSA-N	1	0	372.472	4.598	20	30		FJEDRO
CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481914398	568182128	/nfs/dbraw/zinc/18/21/28/568182128.db2.gz	KQWIUXYWFZUTGJ-JOCHJYFZSA-N	1	0	361.489	4.854	20	30		FJEDRO
C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cn1	ZINC000481995735	568218810	/nfs/dbraw/zinc/21/88/10/568218810.db2.gz	XDBPCUBRASZPMF-BFUOFWGJSA-N	1	0	370.294	4.834	20	30		FJEDRO
Cn1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c(-c2ccccc2)n1	ZINC000481995576	568221825	/nfs/dbraw/zinc/22/18/25/568221825.db2.gz	WDRGEVVKXDEAQI-QFIPXVFZSA-N	1	0	356.473	4.516	20	30		FJEDRO
CSC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1	ZINC000541916557	568233356	/nfs/dbraw/zinc/23/33/56/568233356.db2.gz	KYSJSHBBUVCLOC-QGZVFWFLSA-N	1	0	350.409	4.771	20	30		FJEDRO
COc1cc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)ccc1C#N	ZINC000568852314	568236435	/nfs/dbraw/zinc/23/64/35/568236435.db2.gz	KKUKMGKKYBPOPW-LJQANCHMSA-N	1	0	371.278	4.570	20	30		FJEDRO
C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1	ZINC000303244232	568262336	/nfs/dbraw/zinc/26/23/36/568262336.db2.gz	CZOULYCWUPERMN-UHFFFAOYSA-N	1	0	370.880	4.513	20	30		FJEDRO
C=CCOc1cccc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1	ZINC000303337007	568266335	/nfs/dbraw/zinc/26/63/35/568266335.db2.gz	CNWTXPYBQVPACA-QGZVFWFLSA-N	1	0	367.493	4.502	20	30		FJEDRO
C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000569494693	568403680	/nfs/dbraw/zinc/40/36/80/568403680.db2.gz	JXBMIQVJXTXAPP-INIZCTEOSA-N	1	0	352.441	4.952	20	30		FJEDRO
N#Cc1cccc(COc2cccc(C[NH2+]C3CC(C(F)(F)F)C3)c2)c1	ZINC000569644080	568410003	/nfs/dbraw/zinc/41/00/03/568410003.db2.gz	SOOFNCKEQDCSHR-UHFFFAOYSA-N	1	0	360.379	4.568	20	30		FJEDRO
COc1cccc(C[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)c2ccccc2)c1	ZINC000569628467	568411073	/nfs/dbraw/zinc/41/10/73/568411073.db2.gz	JBLSCPLUFRQGPA-HSZRJFAPSA-N	1	0	372.468	4.649	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3Cl)CC2)cc1	ZINC000569632969	568411193	/nfs/dbraw/zinc/41/11/93/568411193.db2.gz	WQBIVPKIZHMOIQ-UHFFFAOYSA-N	1	0	360.288	4.624	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](OC1CCOCC1)c1ccccc1	ZINC000182047036	568677736	/nfs/dbraw/zinc/67/77/36/568677736.db2.gz	WBMWPQXJISHIJT-IXFSTUDKSA-N	1	0	364.489	4.534	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(NC(=O)C2CCC2)c1	ZINC000568343824	568026559	/nfs/dbraw/zinc/02/65/59/568026559.db2.gz	VQLPUQUVWOADHF-QHCPKHFHSA-N	1	0	373.500	4.854	20	30		FJEDRO
CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCC[C@H]1C#N	ZINC000602766189	568026811	/nfs/dbraw/zinc/02/68/11/568026811.db2.gz	DCLNQNNDUGDOGI-UWJYYQICSA-N	1	0	368.525	4.607	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1	ZINC000481644852	568079722	/nfs/dbraw/zinc/07/97/22/568079722.db2.gz	ULSWARMCRGSTKP-YTFSRNRJSA-N	1	0	364.464	4.975	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000481650402	568080240	/nfs/dbraw/zinc/08/02/40/568080240.db2.gz	NOTWUZFPTZQPND-BHDDXSALSA-N	1	0	368.427	4.724	20	30		FJEDRO
CC(C)(CO)[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481645602	568080600	/nfs/dbraw/zinc/08/06/00/568080600.db2.gz	OMQZBHVNYODAOP-XZOQPEGZSA-N	1	0	362.517	4.718	20	30		FJEDRO
CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669658	568081024	/nfs/dbraw/zinc/08/10/24/568081024.db2.gz	KOGSOYQOVSSMRI-RTWAWAEBSA-N	1	0	362.473	4.838	20	30		FJEDRO
C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nc(-c2ccccc2)no1	ZINC000481669196	568081061	/nfs/dbraw/zinc/08/10/61/568081061.db2.gz	NEWNZHPOCCFFQW-IERDGZPVSA-N	1	0	372.472	4.769	20	30		FJEDRO
CCCCCn1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c(C)n1	ZINC000481659042	568081699	/nfs/dbraw/zinc/08/16/99/568081699.db2.gz	IGMPRGAEQMWYCY-QFIPXVFZSA-N	1	0	350.510	4.811	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1nc(C(F)(F)F)cs1	ZINC000481661548	568081704	/nfs/dbraw/zinc/08/17/04/568081704.db2.gz	MBIGNMKSAOAASE-HNNXBMFYSA-N	1	0	365.424	4.633	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1nc(C(F)(F)F)cs1	ZINC000481661557	568082212	/nfs/dbraw/zinc/08/22/12/568082212.db2.gz	MBIGNMKSAOAASE-OAHLLOKOSA-N	1	0	365.424	4.633	20	30		FJEDRO
CCOc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccc1OC	ZINC000481660733	568082277	/nfs/dbraw/zinc/08/22/77/568082277.db2.gz	SQOLXBLDJLBXFU-HXUWFJFHSA-N	1	0	350.462	4.523	20	30		FJEDRO
COCCCOc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481668831	568083440	/nfs/dbraw/zinc/08/34/40/568083440.db2.gz	UXNMVFGMINOANL-QHCPKHFHSA-N	1	0	364.489	4.531	20	30		FJEDRO
COC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1	ZINC000481667799	568083701	/nfs/dbraw/zinc/08/37/01/568083701.db2.gz	HRUVYGSLNFAAOO-SFTDATJTSA-N	1	0	356.416	4.581	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680247	568084910	/nfs/dbraw/zinc/08/49/10/568084910.db2.gz	YIVCKXBZNFANRM-URXFXBBRSA-N	1	0	374.484	4.838	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1sccc1Br	ZINC000481677229	568084974	/nfs/dbraw/zinc/08/49/74/568084974.db2.gz	YREZUWOZXRDTEY-INIZCTEOSA-N	1	0	361.308	4.940	20	30		FJEDRO
Fc1ccc2c(c1)[nH+]ccc2N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1	ZINC000603493322	568107718	/nfs/dbraw/zinc/10/77/18/568107718.db2.gz	BJMOEMNMBKWDCV-NXEZZACHSA-N	1	0	366.280	4.941	20	30		FJEDRO
C=CCc1cc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)cc(OC)c1O	ZINC000603513062	568111085	/nfs/dbraw/zinc/11/10/85/568111085.db2.gz	BJPQDLBVIKQZKY-UHFFFAOYSA-N	1	0	364.489	4.826	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1	ZINC000568685929	568122581	/nfs/dbraw/zinc/12/25/81/568122581.db2.gz	IZLUHVUINZXEEG-MRXNPFEDSA-N	1	0	352.400	4.549	20	30		FJEDRO
Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1	ZINC000603849715	568164372	/nfs/dbraw/zinc/16/43/72/568164372.db2.gz	AVLNTPKDIJXKFX-HXUWFJFHSA-N	1	0	363.505	4.552	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccnc1OC1CCCC1	ZINC000481914083	568182107	/nfs/dbraw/zinc/18/21/07/568182107.db2.gz	JOKMNUYMAFFKDK-QFIPXVFZSA-N	1	0	361.489	4.832	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccnc1OC1CCCC1	ZINC000481914082	568182117	/nfs/dbraw/zinc/18/21/17/568182117.db2.gz	JOKMNUYMAFFKDK-JOCHJYFZSA-N	1	0	361.489	4.832	20	30		FJEDRO
CCCOc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481916134	568182500	/nfs/dbraw/zinc/18/25/00/568182500.db2.gz	WWNVPDBZJJDUSP-OAQYLSRUSA-N	1	0	364.489	4.913	20	30		FJEDRO
Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481987177	568215732	/nfs/dbraw/zinc/21/57/32/568215732.db2.gz	BDAHXMGAHYJAOX-YCRPNKLZSA-N	1	0	350.510	4.937	20	30		FJEDRO
C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cn1	ZINC000481995737	568218836	/nfs/dbraw/zinc/21/88/36/568218836.db2.gz	XDBPCUBRASZPMF-ORAYPTAESA-N	1	0	370.294	4.834	20	30		FJEDRO
COC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997931	568219735	/nfs/dbraw/zinc/21/97/35/568219735.db2.gz	JMHNAGHPPOOOCA-NHCUHLMSSA-N	1	0	354.881	4.956	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCOc2c(F)cccc21	ZINC000482003902	568226190	/nfs/dbraw/zinc/22/61/90/568226190.db2.gz	GOFLDNOOFGDTJA-RTWAWAEBSA-N	1	0	350.437	4.968	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c(C(F)(F)F)c1	ZINC000568938076	568253950	/nfs/dbraw/zinc/25/39/50/568253950.db2.gz	SVJQALZXZJWKIN-MRXNPFEDSA-N	1	0	366.770	4.844	20	30		FJEDRO
C=CCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1Cl	ZINC000303232458	568261485	/nfs/dbraw/zinc/26/14/85/568261485.db2.gz	YNSPPIZHEGUFPA-UHFFFAOYSA-N	1	0	366.686	4.957	20	30		FJEDRO
Cc1ccc(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(C)c1	ZINC000604478807	568300069	/nfs/dbraw/zinc/30/00/69/568300069.db2.gz	SQLGUQKFYTZMOQ-UHFFFAOYSA-N	1	0	372.516	4.803	20	30		FJEDRO
COCC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000569247252	568318995	/nfs/dbraw/zinc/31/89/95/568318995.db2.gz	FLFGQPWXIQHNOG-GOSISDBHSA-N	1	0	367.251	4.872	20	30		FJEDRO
N#Cc1ccccc1/C=C\c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1	ZINC000609475227	568320373	/nfs/dbraw/zinc/32/03/73/568320373.db2.gz	SFUWJGQOLHWUNP-QXMHVHEDSA-N	1	0	370.456	4.765	20	30		FJEDRO
COCCC[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1	ZINC000569413502	568401247	/nfs/dbraw/zinc/40/12/47/568401247.db2.gz	IYMJLBKQONPMDT-DENIHFKCSA-N	1	0	368.908	4.999	20	30		FJEDRO
CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569704193	568413082	/nfs/dbraw/zinc/41/30/82/568413082.db2.gz	HRPLEKRXVNCKRT-XIKOKIGWSA-N	1	0	366.358	4.582	20	30		FJEDRO
C[C@@H]([NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C#N)c1	ZINC000182047056	568677709	/nfs/dbraw/zinc/67/77/09/568677709.db2.gz	WBMWPQXJISHIJT-PNCHPQGNSA-N	1	0	364.489	4.534	20	30		FJEDRO
Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513422	567989409	/nfs/dbraw/zinc/98/94/09/567989409.db2.gz	XVRLBGLCTFOMAL-CVEARBPZSA-N	1	0	369.534	4.868	20	30		FJEDRO
C[C@H](CCC#N)C[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1	ZINC000602538184	567992609	/nfs/dbraw/zinc/99/26/09/567992609.db2.gz	JZDUMERVCOTLLZ-LJQANCHMSA-N	1	0	358.489	4.628	20	30		FJEDRO
N#CC1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)CC1	ZINC000602540491	567992901	/nfs/dbraw/zinc/99/29/01/567992901.db2.gz	ZRTLNOMFNPJYHI-UHFFFAOYSA-N	1	0	370.500	4.770	20	30		FJEDRO
C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C#N)cc1C(F)(F)F	ZINC000568573312	568058407	/nfs/dbraw/zinc/05/84/07/568058407.db2.gz	XVVCDYPECSDTTP-ZWNOBZJWSA-N	1	0	350.306	4.740	20	30		FJEDRO
Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1	ZINC000481648189	568080078	/nfs/dbraw/zinc/08/00/78/568080078.db2.gz	XATCTLIZWQCRJU-QHCPKHFHSA-N	1	0	370.500	4.918	20	30		FJEDRO
CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481651308	568080355	/nfs/dbraw/zinc/08/03/55/568080355.db2.gz	PXUZBMZDDVWJMO-JOCHJYFZSA-N	1	0	361.489	4.710	20	30		FJEDRO
Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000481645984	568080390	/nfs/dbraw/zinc/08/03/90/568080390.db2.gz	PLFJRIRXWPSNPI-QHCPKHFHSA-N	1	0	374.463	4.749	20	30		FJEDRO
CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481651309	568080462	/nfs/dbraw/zinc/08/04/62/568080462.db2.gz	PXUZBMZDDVWJMO-QFIPXVFZSA-N	1	0	361.489	4.710	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1Br	ZINC000481645994	568080608	/nfs/dbraw/zinc/08/06/08/568080608.db2.gz	PNIMNBQXAXESBN-LJQANCHMSA-N	1	0	355.279	4.878	20	30		FJEDRO
C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nc(-c2ccccc2)no1	ZINC000481669200	568080966	/nfs/dbraw/zinc/08/09/66/568080966.db2.gz	NEWNZHPOCCFFQW-KKSFZXQISA-N	1	0	372.472	4.769	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1csc(Br)c1	ZINC000481668484	568083469	/nfs/dbraw/zinc/08/34/69/568083469.db2.gz	LICKDCMNIXBODO-MRXNPFEDSA-N	1	0	361.308	4.940	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCOc2ccc(F)cc21	ZINC000481665355	568083587	/nfs/dbraw/zinc/08/35/87/568083587.db2.gz	CKMQFAMPLILVND-RTWAWAEBSA-N	1	0	350.437	4.968	20	30		FJEDRO
COCCCOc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481668829	568083613	/nfs/dbraw/zinc/08/36/13/568083613.db2.gz	UXNMVFGMINOANL-HSZRJFAPSA-N	1	0	364.489	4.531	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1	ZINC000481680248	568085503	/nfs/dbraw/zinc/08/55/03/568085503.db2.gz	YIVCKXBZNFANRM-XUZZJYLKSA-N	1	0	374.484	4.838	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1	ZINC000568637457	568103302	/nfs/dbraw/zinc/10/33/02/568103302.db2.gz	PGBFZBOPZZMNMX-HXUWFJFHSA-N	1	0	353.397	4.627	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1	ZINC000008118532	568140997	/nfs/dbraw/zinc/14/09/97/568140997.db2.gz	MHVBMZBHGKWSRG-CABCVRRESA-N	1	0	367.518	4.566	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cc(Br)cs1	ZINC000481923794	568186410	/nfs/dbraw/zinc/18/64/10/568186410.db2.gz	OALXRUMYGBSZDE-QGZVFWFLSA-N	1	0	361.308	4.940	20	30		FJEDRO
C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cn1	ZINC000481995738	568218815	/nfs/dbraw/zinc/21/88/15/568218815.db2.gz	XDBPCUBRASZPMF-YJYMSZOUSA-N	1	0	370.294	4.834	20	30		FJEDRO
C=CC[C@H](C)[NH2+][C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890640	568381804	/nfs/dbraw/zinc/38/18/04/568381804.db2.gz	DSRLZASTQAEAMU-KSSFIOAISA-N	1	0	362.395	4.939	20	30		FJEDRO
C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569515203	568404559	/nfs/dbraw/zinc/40/45/59/568404559.db2.gz	BMDYWNVKKZIMER-HNNXBMFYSA-N	1	0	362.395	4.662	20	30		FJEDRO
CSc1ccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1	ZINC000569534459	568406410	/nfs/dbraw/zinc/40/64/10/568406410.db2.gz	YHIIXEIFRFUIDL-UHFFFAOYSA-N	1	0	350.409	4.631	20	30		FJEDRO
N#Cc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(C(F)(F)F)c1	ZINC000569896073	568434594	/nfs/dbraw/zinc/43/45/94/568434594.db2.gz	ZDFUXCVPWUGTHN-UHFFFAOYSA-N	1	0	360.379	4.662	20	30		FJEDRO
N#Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc2ccc(Cl)cc12	ZINC001165048605	721978026	/nfs/dbraw/zinc/97/80/26/721978026.db2.gz	DYIFXQWACUIYRN-GOSISDBHSA-N	1	0	368.912	4.605	20	30		FJEDRO
CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](C)CCC#N	ZINC000602431924	567979676	/nfs/dbraw/zinc/97/96/76/567979676.db2.gz	GNWDBBINDLWFKS-LSDHHAIUSA-N	1	0	369.431	4.684	20	30		FJEDRO
C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(NC(=O)Cc2ccccc2F)c1	ZINC000602515080	567986466	/nfs/dbraw/zinc/98/64/66/567986466.db2.gz	TXOLZKAXQQQQDL-DLBZAZTESA-N	1	0	367.468	4.597	20	30		FJEDRO
COC(=O)CC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653015	568080460	/nfs/dbraw/zinc/08/04/60/568080460.db2.gz	SXXZOAQELOUILH-FGZHOGPDSA-N	1	0	362.473	4.610	20	30		FJEDRO
CC(C)(CO)[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481645600	568080522	/nfs/dbraw/zinc/08/05/22/568080522.db2.gz	OMQZBHVNYODAOP-GOTSBHOMSA-N	1	0	362.517	4.718	20	30		FJEDRO
COc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC(F)F	ZINC000481914974	568182158	/nfs/dbraw/zinc/18/21/58/568182158.db2.gz	VCWMQIVHZQUMAB-GOSISDBHSA-N	1	0	372.415	4.726	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(OC2CCCC2)nc1	ZINC000481917335	568183114	/nfs/dbraw/zinc/18/31/14/568183114.db2.gz	FREVXYMSWZFXBV-JOCHJYFZSA-N	1	0	361.489	4.832	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1	ZINC000481917999	568183552	/nfs/dbraw/zinc/18/35/52/568183552.db2.gz	QDCHYNPZOZHGHZ-QFIPXVFZSA-N	1	0	361.489	4.832	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000481998842	568219900	/nfs/dbraw/zinc/21/99/00/568219900.db2.gz	JUCUZMDPRSZEJL-ACIOBRDBSA-N	1	0	364.464	4.975	20	30		FJEDRO
COc1cc(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)ccc1C#N	ZINC000568852313	568236430	/nfs/dbraw/zinc/23/64/30/568236430.db2.gz	KKUKMGKKYBPOPW-IBGZPJMESA-N	1	0	371.278	4.570	20	30		FJEDRO
C=CCOc1cccc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1	ZINC000303337004	568266359	/nfs/dbraw/zinc/26/63/59/568266359.db2.gz	CNWTXPYBQVPACA-KRWDZBQOSA-N	1	0	367.493	4.502	20	30		FJEDRO
CCCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1	ZINC000604494852	568304291	/nfs/dbraw/zinc/30/42/91/568304291.db2.gz	CGHQOHLPVCADFE-FQEVSTJZSA-N	1	0	363.505	4.797	20	30		FJEDRO
N#Cc1csc(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)n1	ZINC000584710471	568372342	/nfs/dbraw/zinc/37/23/42/568372342.db2.gz	DLHIYKLJGGFRQZ-UHFFFAOYSA-N	1	0	361.514	4.739	20	30		FJEDRO
Cc1cc(Br)cc2c1[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CC2	ZINC000569481029	568403032	/nfs/dbraw/zinc/40/30/32/568403032.db2.gz	YZEIZZQUDQOTGB-SFHVURJKSA-N	1	0	367.290	4.895	20	30		FJEDRO
C=CCCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1	ZINC000605150807	568587700	/nfs/dbraw/zinc/58/77/00/568587700.db2.gz	GXGSWCYUWYJHBP-UHFFFAOYSA-N	1	0	353.441	4.794	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](OC1CCOCC1)c1ccccc1	ZINC000182046769	568677760	/nfs/dbraw/zinc/67/77/60/568677760.db2.gz	HDTYGEMENZGOBX-IXFSTUDKSA-N	1	0	364.489	4.534	20	30		FJEDRO
N#Cc1c(Cl)c2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165048124	721974900	/nfs/dbraw/zinc/97/49/00/721974900.db2.gz	JFECXONWIRHASS-MRXNPFEDSA-N	1	0	368.912	4.605	20	30		FJEDRO
N#Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc2ccc(Cl)cc12	ZINC001165048611	721978061	/nfs/dbraw/zinc/97/80/61/721978061.db2.gz	DYIFXQWACUIYRN-SFHVURJKSA-N	1	0	368.912	4.605	20	30		FJEDRO
CCCCCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C	ZINC000105741825	132239563	/nfs/dbraw/zinc/23/95/63/132239563.db2.gz	RLVXIGZOZCVQPV-UHFFFAOYSA-N	1	0	359.558	4.826	20	30		FJEDRO
C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000602645996	568004011	/nfs/dbraw/zinc/00/40/11/568004011.db2.gz	NJGXLIMKPPEBBW-QGPMSJSTSA-N	1	0	366.427	4.640	20	30		FJEDRO
C[C@H](CCC#N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000602649342	568004766	/nfs/dbraw/zinc/00/47/66/568004766.db2.gz	CBJMFPMURLOULB-KDOFPFPSSA-N	1	0	354.416	4.703	20	30		FJEDRO
C[C@@H](CCC#N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000602649343	568004824	/nfs/dbraw/zinc/00/48/24/568004824.db2.gz	CBJMFPMURLOULB-KSSFIOAISA-N	1	0	354.416	4.703	20	30		FJEDRO
N#CC1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CC1	ZINC000602656314	568006249	/nfs/dbraw/zinc/00/62/49/568006249.db2.gz	XUPAYLTUOAOKPH-FPCQFERPSA-N	1	0	366.427	4.845	20	30		FJEDRO
C=C(C)COc1cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)ccc1OC	ZINC000065276108	568048330	/nfs/dbraw/zinc/04/83/30/568048330.db2.gz	NREASMJWMOEMMH-UHFFFAOYSA-N	1	0	368.452	4.603	20	30		FJEDRO
C=CCN(CCc1ccccc1)CC(=O)Nc1c(C)cc(C)cc1Cl	ZINC000065959804	568063837	/nfs/dbraw/zinc/06/38/37/568063837.db2.gz	XJAYHBALQPUTRD-UHFFFAOYSA-N	1	0	356.897	4.626	20	30		FJEDRO
Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21	ZINC000481645983	568079664	/nfs/dbraw/zinc/07/96/64/568079664.db2.gz	PLFJRIRXWPSNPI-HSZRJFAPSA-N	1	0	374.463	4.749	20	30		FJEDRO
C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645054	568080105	/nfs/dbraw/zinc/08/01/05/568080105.db2.gz	NDLMQMHVEBTDJT-HOYKHHGWSA-N	1	0	370.500	4.921	20	30		FJEDRO
CN(C)c1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2n1	ZINC000481652168	568080481	/nfs/dbraw/zinc/08/04/81/568080481.db2.gz	GCHNJGYKUYDYNJ-JOCHJYFZSA-N	1	0	370.500	4.730	20	30		FJEDRO
COC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1	ZINC000481667795	568081029	/nfs/dbraw/zinc/08/10/29/568081029.db2.gz	HRUVYGSLNFAAOO-LEWJYISDSA-N	1	0	356.416	4.581	20	30		FJEDRO
Cn1cc(-c2cccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)c2)cn1	ZINC000481668378	568083878	/nfs/dbraw/zinc/08/38/78/568083878.db2.gz	IMCPQQHNVRZCNB-QHCPKHFHSA-N	1	0	356.473	4.516	20	30		FJEDRO
COc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC(F)F	ZINC000481914975	568182217	/nfs/dbraw/zinc/18/22/17/568182217.db2.gz	VCWMQIVHZQUMAB-SFHVURJKSA-N	1	0	372.415	4.726	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(CCc2ccccc2)CC1	ZINC000481926256	568188944	/nfs/dbraw/zinc/18/89/44/568188944.db2.gz	XGSKLBSGTIICKP-RUZDIDTESA-N	1	0	373.544	4.622	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(CCc2ccccc2)CC1	ZINC000481926257	568188953	/nfs/dbraw/zinc/18/89/53/568188953.db2.gz	XGSKLBSGTIICKP-VWLOTQADSA-N	1	0	373.544	4.622	20	30		FJEDRO
CSc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000541909432	568204399	/nfs/dbraw/zinc/20/43/99/568204399.db2.gz	GKUKRSKTKCPTRJ-UHFFFAOYSA-N	1	0	351.519	4.665	20	30		FJEDRO
C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Br)cn1	ZINC000481995736	568218812	/nfs/dbraw/zinc/21/88/12/568218812.db2.gz	XDBPCUBRASZPMF-DJJJIMSYSA-N	1	0	370.294	4.834	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])c1	ZINC000569106650	568277582	/nfs/dbraw/zinc/27/75/82/568277582.db2.gz	MIXRQPMZTFDJIF-HXUWFJFHSA-N	1	0	353.397	4.627	20	30		FJEDRO
COc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)ccc1C#N	ZINC000569190867	568307009	/nfs/dbraw/zinc/30/70/09/568307009.db2.gz	MGSJNIYIDDFRDX-QGZVFWFLSA-N	1	0	363.486	4.556	20	30		FJEDRO
CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(C#N)cc1	ZINC000569193299	568307356	/nfs/dbraw/zinc/30/73/56/568307356.db2.gz	JTKZAVKECXCVSM-HRTMPFAESA-N	1	0	359.473	4.861	20	30		FJEDRO
CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(C#N)cc1	ZINC000569193300	568307358	/nfs/dbraw/zinc/30/73/58/568307358.db2.gz	JTKZAVKECXCVSM-LZBANZJXSA-N	1	0	359.473	4.861	20	30		FJEDRO
N#Cc1ccccc1/C=C/c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1	ZINC000609475228	568320365	/nfs/dbraw/zinc/32/03/65/568320365.db2.gz	SFUWJGQOLHWUNP-VAWYXSNFSA-N	1	0	370.456	4.765	20	30		FJEDRO
Cc1cc(Br)cc2c1[C@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CC2	ZINC000569481028	568403051	/nfs/dbraw/zinc/40/30/51/568403051.db2.gz	YZEIZZQUDQOTGB-GOSISDBHSA-N	1	0	367.290	4.895	20	30		FJEDRO
CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569704191	568413033	/nfs/dbraw/zinc/41/30/33/568413033.db2.gz	HRPLEKRXVNCKRT-KZULUSFZSA-N	1	0	366.358	4.582	20	30		FJEDRO
N#CCCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1	ZINC000563158329	568472096	/nfs/dbraw/zinc/47/20/96/568472096.db2.gz	QUWGERQVZMECPD-UHFFFAOYSA-N	1	0	362.399	4.611	20	30		FJEDRO
CCOc1cc(C[NH+]2CCC(CCC#N)CC2)ccc1OCC(F)(F)F	ZINC000563158645	568498640	/nfs/dbraw/zinc/49/86/40/568498640.db2.gz	SKTQECSJFDVBME-UHFFFAOYSA-N	1	0	370.415	4.542	20	30		FJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccccc1	ZINC000542004803	568572671	/nfs/dbraw/zinc/57/26/71/568572671.db2.gz	ALTQTWQEENANAE-ROUUACIJSA-N	1	0	369.468	4.903	20	30		FJEDRO
C[C@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1	ZINC000182046726	568677407	/nfs/dbraw/zinc/67/74/07/568677407.db2.gz	HDTYGEMENZGOBX-BSRJHKFKSA-N	1	0	364.489	4.534	20	30		FJEDRO
N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1	ZINC000095616907	571275944	/nfs/dbraw/zinc/27/59/44/571275944.db2.gz	LYAMUTOSGBWHBG-UHFFFAOYSA-N	1	0	355.279	4.506	20	30		FJEDRO
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1	ZINC000463282331	567831393	/nfs/dbraw/zinc/83/13/93/567831393.db2.gz	BMCPCJNAWNIKPY-CXUUEIJPSA-N	1	0	365.340	4.904	20	30		FJEDRO
C=CCOc1ccccc1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1	ZINC000521417657	567969621	/nfs/dbraw/zinc/96/96/21/567969621.db2.gz	DGTMBSNDMYSNFN-UHFFFAOYSA-N	1	0	361.445	4.564	20	30		FJEDRO
COc1ccccc1-c1csc(C2CC[NH+](C[C@H](C)CCC#N)CC2)n1	ZINC000602632517	568001400	/nfs/dbraw/zinc/00/14/00/568001400.db2.gz	URMIRMZVCQTBIT-MRXNPFEDSA-N	1	0	369.534	4.938	20	30		FJEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000602645997	568004089	/nfs/dbraw/zinc/00/40/89/568004089.db2.gz	NJGXLIMKPPEBBW-ZVZYQTTQSA-N	1	0	366.427	4.640	20	30		FJEDRO
CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481645599	568080118	/nfs/dbraw/zinc/08/01/18/568080118.db2.gz	OMQZBHVNYODAOP-DHIUTWEWSA-N	1	0	362.517	4.718	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2	ZINC000481650003	568080179	/nfs/dbraw/zinc/08/01/79/568080179.db2.gz	KMGBQYBNGOLJSS-LJQANCHMSA-N	1	0	368.864	4.540	20	30		FJEDRO
COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481676785	568085523	/nfs/dbraw/zinc/08/55/23/568085523.db2.gz	ZMQUDTWXCPNHHE-IBGZPJMESA-N	1	0	372.415	4.726	20	30		FJEDRO
CC(C)Oc1ccc(F)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000541902859	568121482	/nfs/dbraw/zinc/12/14/82/568121482.db2.gz	KUWHYCPPWOSYOL-UHFFFAOYSA-N	1	0	367.468	4.561	20	30		FJEDRO
CC1CCN(c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cn2)CC1	ZINC000481913062	568178063	/nfs/dbraw/zinc/17/80/63/568178063.db2.gz	COOUNGQKTDEYOT-QHCPKHFHSA-N	1	0	374.532	4.747	20	30		FJEDRO
COc1ccc(-c2ccncc2)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000481906246	568178143	/nfs/dbraw/zinc/17/81/43/568178143.db2.gz	RVLQCTIWRDEPLQ-UHFFFAOYSA-N	1	0	369.468	4.793	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc(Br)cs1	ZINC000481923791	568186461	/nfs/dbraw/zinc/18/64/61/568186461.db2.gz	OALXRUMYGBSZDE-KRWDZBQOSA-N	1	0	361.308	4.940	20	30		FJEDRO
COC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(Cl)cc1	ZINC000481997933	568219738	/nfs/dbraw/zinc/21/97/38/568219738.db2.gz	JMHNAGHPPOOOCA-SFTDATJTSA-N	1	0	354.881	4.956	20	30		FJEDRO
COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2cc(C#N)ccc2F)cc1	ZINC000569040079	568278356	/nfs/dbraw/zinc/27/83/56/568278356.db2.gz	UKJOUDIDRWCONI-HSZRJFAPSA-N	1	0	360.432	4.780	20	30		FJEDRO
CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569057924	568293619	/nfs/dbraw/zinc/29/36/19/568293619.db2.gz	HKCHWSRHHQMAKR-SFHVURJKSA-N	1	0	360.379	4.753	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3Br)CC2	ZINC000569174533	568303856	/nfs/dbraw/zinc/30/38/56/568303856.db2.gz	NLGDKKIDPNDNKN-RTBURBONSA-N	1	0	353.263	4.585	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Oc3cccc(F)c3)nc1)CC2	ZINC000569174917	568303989	/nfs/dbraw/zinc/30/39/89/568303989.db2.gz	XAVBKRMUWVPSNX-OAQYLSRUSA-N	1	0	359.404	4.662	20	30		FJEDRO
COc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)ccc1C#N	ZINC000569190866	568306942	/nfs/dbraw/zinc/30/69/42/568306942.db2.gz	MGSJNIYIDDFRDX-KRWDZBQOSA-N	1	0	363.486	4.556	20	30		FJEDRO
C=CC[C@H](C)[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000604890636	568381779	/nfs/dbraw/zinc/38/17/79/568381779.db2.gz	DSRLZASTQAEAMU-KBXCAEBGSA-N	1	0	362.395	4.939	20	30		FJEDRO
CSc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1	ZINC000570487938	568488147	/nfs/dbraw/zinc/48/81/47/568488147.db2.gz	CQEJIFPWNIPMRK-UHFFFAOYSA-N	1	0	358.532	4.821	20	30		FJEDRO
C[C@@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1ccc(C#N)cc1	ZINC000182046749	568677678	/nfs/dbraw/zinc/67/76/78/568677678.db2.gz	HDTYGEMENZGOBX-STSQHVNTSA-N	1	0	364.489	4.534	20	30		FJEDRO
Cc1nc(-c2ccc([C@@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)cc2)cs1	ZINC000602513431	567989527	/nfs/dbraw/zinc/98/95/27/567989527.db2.gz	XVRLBGLCTFOMAL-HZPDHXFCSA-N	1	0	369.534	4.868	20	30		FJEDRO
C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000602646634	568004141	/nfs/dbraw/zinc/00/41/41/568004141.db2.gz	QZDCHBRNLIWWAL-ZVZYQTTQSA-N	1	0	366.427	4.640	20	30		FJEDRO
C=CC[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1	ZINC000188785675	568011012	/nfs/dbraw/zinc/01/10/12/568011012.db2.gz	QFQOTRWVLXKOAZ-LZBANZJXSA-N	1	0	354.538	4.506	20	30		FJEDRO
COc1cc(C[NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)ccc1C#N	ZINC000568570640	568056954	/nfs/dbraw/zinc/05/69/54/568056954.db2.gz	TZLHTYWXRDSCNE-CQSZACIVSA-N	1	0	358.869	4.858	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000481644851	568079872	/nfs/dbraw/zinc/07/98/72/568079872.db2.gz	ULSWARMCRGSTKP-VABKMULXSA-N	1	0	364.464	4.975	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc(Cl)c2c(c1)OCCO2	ZINC000481650002	568080168	/nfs/dbraw/zinc/08/01/68/568080168.db2.gz	KMGBQYBNGOLJSS-IBGZPJMESA-N	1	0	368.864	4.540	20	30		FJEDRO
C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1nc(-c2ccccc2)no1	ZINC000481669198	568081041	/nfs/dbraw/zinc/08/10/41/568081041.db2.gz	NEWNZHPOCCFFQW-IIBYNOLFSA-N	1	0	372.472	4.769	20	30		FJEDRO
COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481659551	568082025	/nfs/dbraw/zinc/08/20/25/568082025.db2.gz	QJHVXCAXFCKJHU-VBKZILBWSA-N	1	0	368.452	4.833	20	30		FJEDRO
C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659127	568082237	/nfs/dbraw/zinc/08/22/37/568082237.db2.gz	OKCQFMUTKDMIKC-GAJHUEQPSA-N	1	0	356.473	4.862	20	30		FJEDRO
COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677712	568085027	/nfs/dbraw/zinc/08/50/27/568085027.db2.gz	LRMDTWCCBWVLGB-VFNWGFHPSA-N	1	0	350.462	4.694	20	30		FJEDRO
CCCOc1cc(F)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000541901720	568123801	/nfs/dbraw/zinc/12/38/01/568123801.db2.gz	ZUYKWNWDKJNBOC-UHFFFAOYSA-N	1	0	367.468	4.563	20	30		FJEDRO
COc1cc(Cl)c(C)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000541901429	568137324	/nfs/dbraw/zinc/13/73/24/568137324.db2.gz	SCIYLHXAAIMZPI-UHFFFAOYSA-N	1	0	369.896	4.605	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(c2ccccc2)CCOCC1	ZINC000481913837	568182066	/nfs/dbraw/zinc/18/20/66/568182066.db2.gz	HTCLSQCXAYYQOG-QHCPKHFHSA-N	1	0	360.501	4.664	20	30		FJEDRO
CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1	ZINC000481914399	568182138	/nfs/dbraw/zinc/18/21/38/568182138.db2.gz	KQWIUXYWFZUTGJ-QFIPXVFZSA-N	1	0	361.489	4.854	20	30		FJEDRO
Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000481987176	568215697	/nfs/dbraw/zinc/21/56/97/568215697.db2.gz	BDAHXMGAHYJAOX-VFNWGFHPSA-N	1	0	350.510	4.937	20	30		FJEDRO
COc1cc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)ccc1C#N	ZINC000569126242	568285166	/nfs/dbraw/zinc/28/51/66/568285166.db2.gz	CSOGXOLOOCGEIU-UHFFFAOYSA-N	1	0	369.877	4.634	20	30		FJEDRO
COc1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1OCCCC#N	ZINC000604512423	568306535	/nfs/dbraw/zinc/30/65/35/568306535.db2.gz	JINVFIVVZWPUMD-UHFFFAOYSA-N	1	0	370.518	4.608	20	30		FJEDRO
COCCC[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1	ZINC000569413503	568401245	/nfs/dbraw/zinc/40/12/45/568401245.db2.gz	IYMJLBKQONPMDT-KNQAVFIVSA-N	1	0	368.908	4.999	20	30		FJEDRO
N#Cc1cccc(C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1F	ZINC000569757105	568421382	/nfs/dbraw/zinc/42/13/82/568421382.db2.gz	JELSNDZETQGZSA-UHFFFAOYSA-N	1	0	351.400	4.697	20	30		FJEDRO
N#Cc1ccc(-c2cccs2)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165050601	721975808	/nfs/dbraw/zinc/97/58/08/721975808.db2.gz	ZQCFOTZGBUJGOQ-GOSISDBHSA-N	1	0	366.534	4.527	20	30		FJEDRO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21	ZINC000109103381	209298221	/nfs/dbraw/zinc/29/82/21/209298221.db2.gz	HLQJBSJTTIQOCG-QHCPKHFHSA-N	1	0	369.468	4.877	20	30		FJEDRO
C=C(C)COc1cc(C[NH2+]CCc2ccc(Cl)s2)ccc1OC	ZINC000060948246	567858053	/nfs/dbraw/zinc/85/80/53/567858053.db2.gz	UHFQBTXFMJTJHH-UHFFFAOYSA-N	1	0	351.899	4.697	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4sc(Cl)cc43)CC2)cc1	ZINC000568144775	567939976	/nfs/dbraw/zinc/93/99/76/567939976.db2.gz	ZZLRDBMSIFWPEM-QGZVFWFLSA-N	1	0	357.910	4.519	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(NC(=O)C2CCC2)c1	ZINC000568343823	568026584	/nfs/dbraw/zinc/02/65/84/568026584.db2.gz	VQLPUQUVWOADHF-HSZRJFAPSA-N	1	0	373.500	4.854	20	30		FJEDRO
CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)s1	ZINC000568544275	568049924	/nfs/dbraw/zinc/04/99/24/568049924.db2.gz	ZVUPSAREGBOQCN-KRWDZBQOSA-N	1	0	359.926	4.983	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1	ZINC000481644850	568080108	/nfs/dbraw/zinc/08/01/08/568080108.db2.gz	ULSWARMCRGSTKP-RJGXRXQPSA-N	1	0	364.464	4.975	20	30		FJEDRO
Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1	ZINC000481648188	568080218	/nfs/dbraw/zinc/08/02/18/568080218.db2.gz	XATCTLIZWQCRJU-HSZRJFAPSA-N	1	0	370.500	4.918	20	30		FJEDRO
C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1	ZINC000481645058	568080283	/nfs/dbraw/zinc/08/02/83/568080283.db2.gz	NDLMQMHVEBTDJT-UUOWRZLLSA-N	1	0	370.500	4.921	20	30		FJEDRO
COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481659546	568081661	/nfs/dbraw/zinc/08/16/61/568081661.db2.gz	QJHVXCAXFCKJHU-JLTOFOAXSA-N	1	0	368.452	4.833	20	30		FJEDRO
COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC	ZINC000481659553	568082027	/nfs/dbraw/zinc/08/20/27/568082027.db2.gz	QJHVXCAXFCKJHU-VLIAUNLRSA-N	1	0	368.452	4.833	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1csc(Br)c1	ZINC000481668483	568083358	/nfs/dbraw/zinc/08/33/58/568083358.db2.gz	LICKDCMNIXBODO-INIZCTEOSA-N	1	0	361.308	4.940	20	30		FJEDRO
C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1nc(-c2ccccc2)no1	ZINC000481669193	568083651	/nfs/dbraw/zinc/08/36/51/568083651.db2.gz	NEWNZHPOCCFFQW-HRAATJIYSA-N	1	0	372.472	4.769	20	30		FJEDRO
N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c([N+](=O)[O-])c1	ZINC000568637455	568103354	/nfs/dbraw/zinc/10/33/54/568103354.db2.gz	PGBFZBOPZZMNMX-FQEVSTJZSA-N	1	0	353.397	4.627	20	30		FJEDRO
Fc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1	ZINC000603493323	568107757	/nfs/dbraw/zinc/10/77/57/568107757.db2.gz	BJMOEMNMBKWDCV-UWVGGRQHSA-N	1	0	366.280	4.941	20	30		FJEDRO
C=CCc1cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc(OC)c1O	ZINC000603512727	568111004	/nfs/dbraw/zinc/11/10/04/568111004.db2.gz	RFFWNGWLBXGOQB-UHFFFAOYSA-N	1	0	370.880	4.596	20	30		FJEDRO
C=C(C)C[NH+]1CCC(NC(=O)N(CCCC)[C@H](CC)c2ccccc2)CC1	ZINC000604083865	568209428	/nfs/dbraw/zinc/20/94/28/568209428.db2.gz	VZOPEHFTPIKQAT-JOCHJYFZSA-N	1	0	371.569	4.990	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCOc2c(F)cccc21	ZINC000482003899	568226153	/nfs/dbraw/zinc/22/61/53/568226153.db2.gz	GOFLDNOOFGDTJA-LEWJYISDSA-N	1	0	350.437	4.968	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCOc2c(F)cccc21	ZINC000482003901	568226158	/nfs/dbraw/zinc/22/61/58/568226158.db2.gz	GOFLDNOOFGDTJA-NHCUHLMSSA-N	1	0	350.437	4.968	20	30		FJEDRO
CSc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1	ZINC000568819133	568228458	/nfs/dbraw/zinc/22/84/58/568228458.db2.gz	DBPBNXMHBNIHJA-UHFFFAOYSA-N	1	0	362.495	4.524	20	30		FJEDRO
C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CC)c1ccc(OC)cc1	ZINC000302856140	568241678	/nfs/dbraw/zinc/24/16/78/568241678.db2.gz	MJZJOWFOERKBCZ-GOSISDBHSA-N	1	0	370.518	4.653	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Oc3cccc(F)c3)nc1)CC2	ZINC000569174916	568303964	/nfs/dbraw/zinc/30/39/64/568303964.db2.gz	XAVBKRMUWVPSNX-NRFANRHFSA-N	1	0	359.404	4.662	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1	ZINC000569251123	568319968	/nfs/dbraw/zinc/31/99/68/568319968.db2.gz	ZFNJLXGQNFXFLI-DENIHFKCSA-N	1	0	363.480	4.592	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1	ZINC000569251127	568319970	/nfs/dbraw/zinc/31/99/70/568319970.db2.gz	ZFNJLXGQNFXFLI-KNQAVFIVSA-N	1	0	363.480	4.592	20	30		FJEDRO
C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F	ZINC000569515204	568404564	/nfs/dbraw/zinc/40/45/64/568404564.db2.gz	BMDYWNVKKZIMER-OAHLLOKOSA-N	1	0	362.395	4.662	20	30		FJEDRO
C[C@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)c1cccc(C#N)c1	ZINC000182046995	568677693	/nfs/dbraw/zinc/67/76/93/568677693.db2.gz	WBMWPQXJISHIJT-BSRJHKFKSA-N	1	0	364.489	4.534	20	30		FJEDRO
C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1	ZINC000463282322	567831202	/nfs/dbraw/zinc/83/12/02/567831202.db2.gz	BMCPCJNAWNIKPY-ALYFQZSWSA-N	1	0	365.340	4.904	20	30		FJEDRO
C=CCN(CC1CCCCC1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1	ZINC000601858519	567853851	/nfs/dbraw/zinc/85/38/51/567853851.db2.gz	ZMJOGBJCXDBGCK-UHFFFAOYSA-N	1	0	373.541	4.617	20	30		FJEDRO
CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](C)CCC#N	ZINC000602431915	567979659	/nfs/dbraw/zinc/97/96/59/567979659.db2.gz	GNWDBBINDLWFKS-CABCVRRESA-N	1	0	369.431	4.684	20	30		FJEDRO
CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCC[C@H]1C#N	ZINC000602766187	568026846	/nfs/dbraw/zinc/02/68/46/568026846.db2.gz	DCLNQNNDUGDOGI-LAUBAEHRSA-N	1	0	368.525	4.607	20	30		FJEDRO
COc1ccccc1-c1csc(C2CC[NH+](CC3(CC#N)CC3)CC2)n1	ZINC000602826038	568046416	/nfs/dbraw/zinc/04/64/16/568046416.db2.gz	IPYNGIXILKGSRY-UHFFFAOYSA-N	1	0	367.518	4.692	20	30		FJEDRO
C=CCN(Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1F	ZINC000065951229	568063775	/nfs/dbraw/zinc/06/37/75/568063775.db2.gz	XEYGHKBYCJXROK-UHFFFAOYSA-N	1	0	362.448	4.988	20	30		FJEDRO
COC(=O)CC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481653017	568079890	/nfs/dbraw/zinc/07/98/90/568079890.db2.gz	SXXZOAQELOUILH-YADHBBJMSA-N	1	0	362.473	4.610	20	30		FJEDRO
C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1	ZINC000481659129	568081869	/nfs/dbraw/zinc/08/18/69/568081869.db2.gz	OKCQFMUTKDMIKC-HXOBKFHXSA-N	1	0	356.473	4.862	20	30		FJEDRO
CC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2	ZINC000481669660	568083775	/nfs/dbraw/zinc/08/37/75/568083775.db2.gz	KOGSOYQOVSSMRI-SFTDATJTSA-N	1	0	362.473	4.838	20	30		FJEDRO
COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481677710	568085122	/nfs/dbraw/zinc/08/51/22/568085122.db2.gz	LRMDTWCCBWVLGB-QVKFZJNVSA-N	1	0	350.462	4.694	20	30		FJEDRO
Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21	ZINC000481910930	568180779	/nfs/dbraw/zinc/18/07/79/568180779.db2.gz	OIUQHCVRZYCOMU-DEOSSOPVSA-N	1	0	370.500	4.918	20	30		FJEDRO
N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1	ZINC000481917998	568183581	/nfs/dbraw/zinc/18/35/81/568183581.db2.gz	QDCHYNPZOZHGHZ-JOCHJYFZSA-N	1	0	361.489	4.832	20	30		FJEDRO
C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CC)c1ccc(OC)cc1	ZINC000302856141	568241659	/nfs/dbraw/zinc/24/16/59/568241659.db2.gz	MJZJOWFOERKBCZ-SFHVURJKSA-N	1	0	370.518	4.653	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-c3ccc4c(c3)CCO4)cc1)CC2	ZINC000568936237	568253886	/nfs/dbraw/zinc/25/38/86/568253886.db2.gz	HREWBPYTHFSGRX-DEOSSOPVSA-N	1	0	366.464	4.937	20	30		FJEDRO
N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-c3ccc4c(c3)CCO4)cc1)CC2	ZINC000568936238	568253904	/nfs/dbraw/zinc/25/39/04/568253904.db2.gz	HREWBPYTHFSGRX-XMMPIXPASA-N	1	0	366.464	4.937	20	30		FJEDRO
N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1	ZINC000569251130	568319975	/nfs/dbraw/zinc/31/99/75/568319975.db2.gz	ZFNJLXGQNFXFLI-SIKLNZKXSA-N	1	0	363.480	4.592	20	30		FJEDRO
N#Cc1cccc(/C=C/c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1	ZINC000609475218	568319981	/nfs/dbraw/zinc/31/99/81/568319981.db2.gz	PVUSEOBDWOKZRP-ZHACJKMWSA-N	1	0	370.456	4.765	20	30		FJEDRO
COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccc(C#N)cc2F)cc1	ZINC000569395601	568400478	/nfs/dbraw/zinc/40/04/78/568400478.db2.gz	CCZGNZMAYFNANT-QHCPKHFHSA-N	1	0	360.432	4.780	20	30		FJEDRO
CC[C@@H]([NH2+]CCCc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1	ZINC000569660900	568416401	/nfs/dbraw/zinc/41/64/01/568416401.db2.gz	IKGONGWMKQVIES-HSZRJFAPSA-N	1	0	358.489	4.726	20	30		FJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(OCc2cccnc2)cc1	ZINC000570340366	568467501	/nfs/dbraw/zinc/46/75/01/568467501.db2.gz	WHTUOZWYMIYRHS-INIZCTEOSA-N	1	0	361.420	4.522	20	30		FJEDRO