smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1	ZINC000015457888	717112437	/nfs/dbraw/zinc/11/24/37/717112437.db2.gz	GUKPLPZJZVFCPD-CYBMUJFWSA-O	1	0	309.861	3.994	10	30		DHEERO
Cc1cc(N)ccc1/N=N/c1ccc(C(=O)C[N+](C)(C)C)cc1	ZINC000135858839	717150752	/nfs/dbraw/zinc/15/07/52/717150752.db2.gz	TWNUZSSMWBHPPX-UHFFFAOYSA-O	1	0	311.409	3.882	10	30		DHEERO
Cc1sc(N=NC2CC[NH+](C)CC2)nc1-c1ccccc1	ZINC000005792525	181284455	/nfs/dbraw/zinc/28/44/55/181284455.db2.gz	KAAXMEUEAWNSPY-UHFFFAOYSA-N	1	0	300.431	3.612	10	30		DHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2Br)C1	ZINC000061892011	184193137	/nfs/dbraw/zinc/19/31/37/184193137.db2.gz	GYLBBCZUUXGRKD-OCLKLICZSA-N	1	0	319.246	3.977	10	30		DHEERO
CC[N+](CC)=C1CC[C@H]2Nc3c(cc(N)c4ccccc43)O[C@@H]2C1	ZINC000504708262	257140495	/nfs/dbraw/zinc/14/04/95/257140495.db2.gz	RDQHBXBEAYEXPR-QZTJIDSGSA-N	1	0	324.448	3.641	10	30		DHEERO
C[C@H](CC[NH2+][C@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000181930075	333147107	/nfs/dbraw/zinc/14/71/07/333147107.db2.gz	KGOOXMRNXYHFRD-ZIAGYGMSSA-N	1	0	317.433	3.512	10	30		DHEERO
CC[N@@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cc2C#N)C1	ZINC000301688711	336323470	/nfs/dbraw/zinc/32/34/70/336323470.db2.gz	JGZSIUDCWAABTL-UHFFFAOYSA-N	1	0	322.368	3.588	10	30		DHEERO
C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1	ZINC000178273738	337161343	/nfs/dbraw/zinc/16/13/43/337161343.db2.gz	YTWYJZRPAHQIDI-HNAYVOBHSA-N	1	0	307.393	3.873	10	30		DHEERO
Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccs2)c(C#N)c1C	ZINC000193217150	337309435	/nfs/dbraw/zinc/30/94/35/337309435.db2.gz	UMHOIDQJFYNSEX-QWRGUYRKSA-N	1	0	317.414	3.507	10	30		DHEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1	ZINC000262426144	337617538	/nfs/dbraw/zinc/61/75/38/337617538.db2.gz	RQWRPAVZWVHILY-DOTOQJQBSA-N	1	0	301.434	3.528	10	30		DHEERO
[NH2+]=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)NC1CCCCC1	ZINC000262371874	337617816	/nfs/dbraw/zinc/61/78/16/337617816.db2.gz	FOJPDPKWEDAULX-DGCLKSJQSA-N	1	0	305.388	3.592	10	30		DHEERO
C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H]1C#N	ZINC000300423272	340225730	/nfs/dbraw/zinc/22/57/30/340225730.db2.gz	QOSMSRVKGKWZHV-OSAQELSMSA-N	1	0	307.235	3.662	10	30		DHEERO
N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1	ZINC000223324020	340545011	/nfs/dbraw/zinc/54/50/11/340545011.db2.gz	SPNWWLWDCCPMOO-NUEKZKHPSA-N	1	0	319.246	3.588	10	30		DHEERO
CCC[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccccc1	ZINC000029414359	717118960	/nfs/dbraw/zinc/11/89/60/717118960.db2.gz	APVTULWKGPILKV-GOSISDBHSA-O	1	0	303.470	3.663	10	30		DHEERO
COc1cc(OC)cc([C@@H]2CC[N@H+](CCCC(C)(C)C#N)C2)c1	ZINC000083402932	1032194243	/nfs/dbraw/zinc/19/42/43/1032194243.db2.gz	PSZLNKQFETUXOT-OAHLLOKOSA-N	1	0	316.445	3.823	10	30		DHEERO
COc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1OC	ZINC000180850142	334956701	/nfs/dbraw/zinc/95/67/01/334956701.db2.gz	BAJMDMBBUSMXCT-CQSZACIVSA-N	1	0	313.372	3.545	10	30		DHEERO
CC[C@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCCCC#N	ZINC000037729084	182921114	/nfs/dbraw/zinc/92/11/14/182921114.db2.gz	HWDPJSDXVFTNNH-LBPRGKRZSA-N	1	0	301.217	3.956	10	30		DHEERO
N#C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2Br)C1	ZINC000061892010	184193043	/nfs/dbraw/zinc/19/30/43/184193043.db2.gz	GYLBBCZUUXGRKD-NEQJSVFRSA-N	1	0	319.246	3.977	10	30		DHEERO
CCC[NH2+]Cc1ccc(O[C@H](C#N)CC)c(Br)c1	ZINC000062701328	184248266	/nfs/dbraw/zinc/24/82/66/184248266.db2.gz	AALOBDMZYRDQHM-LBPRGKRZSA-N	1	0	311.223	3.630	10	30		DHEERO
N#Cc1cc(N2CCC([NH2+]CC3CC3)CC2)ccc1C(F)(F)F	ZINC000261791033	332359722	/nfs/dbraw/zinc/35/97/22/332359722.db2.gz	TWWSCETTYFTJHD-UHFFFAOYSA-N	1	0	323.362	3.545	10	30		DHEERO
C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1	ZINC000181833235	333033568	/nfs/dbraw/zinc/03/35/68/333033568.db2.gz	BTEOMMGAZLLQHD-SJORKVTESA-N	1	0	324.424	3.845	10	30		DHEERO
Cc1ccc(C[NH+]2CCC(CNc3ccc(C#N)cn3)CC2)cc1	ZINC000301168787	336292975	/nfs/dbraw/zinc/29/29/75/336292975.db2.gz	CXQMRKVKJJHPIZ-UHFFFAOYSA-N	1	0	320.440	3.586	10	30		DHEERO
Cc1ccc(C[NH+]2CCC(CNc3ncccc3C#N)CC2)cc1	ZINC000301199560	336294467	/nfs/dbraw/zinc/29/44/67/336294467.db2.gz	PKSQFRBVQZCEAJ-UHFFFAOYSA-N	1	0	320.440	3.586	10	30		DHEERO
C[NH+]=C(NCc1ncccc1C)N[C@H](C)c1ccc(C(C)C)cc1	ZINC000176298880	337150713	/nfs/dbraw/zinc/15/07/13/337150713.db2.gz	QLKVVYVZWBUGFZ-MRXNPFEDSA-N	1	0	324.472	3.940	10	30		DHEERO
[NH2+]=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1CCCCCC1	ZINC000262343142	337617100	/nfs/dbraw/zinc/61/71/00/337617100.db2.gz	ZCTHNWCANMKVCQ-CHWSQXEVSA-N	1	0	305.388	3.546	10	30		DHEERO
CC#CCC[NH2+]Cc1ccc(Br)c2cccnc12	ZINC000166298923	339053095	/nfs/dbraw/zinc/05/30/95/339053095.db2.gz	VLNXQMQHKYETRA-UHFFFAOYSA-N	1	0	303.203	3.500	10	30		DHEERO
Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)n1	ZINC000156970535	526420854	/nfs/dbraw/zinc/42/08/54/526420854.db2.gz	CGFGZMIWNFBYJW-OAHLLOKOSA-N	1	0	315.417	3.842	10	30		DHEERO
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1	ZINC000029415308	717118871	/nfs/dbraw/zinc/11/88/71/717118871.db2.gz	RDKYJJHNMYUIEH-HZPDHXFCSA-O	1	0	303.470	3.580	10	30		DHEERO
CC(C)(C)N(Cc1ccccc1)C(=O)C[N+](C)(C)C1CCCC1	ZINC000073713007	717134733	/nfs/dbraw/zinc/13/47/33/717134733.db2.gz	NLFUTGYUYSLSJO-UHFFFAOYSA-N	1	0	317.497	3.833	10	30		DHEERO
C[N+](C)(C)c1ccc(CN=NC(=S)Nc2ccccc2)cc1	ZINC000254384826	717170714	/nfs/dbraw/zinc/17/07/14/717170714.db2.gz	XGKYJWDKUIHFPY-UHFFFAOYSA-O	1	0	313.450	3.615	10	30		DHEERO
COc1cc(OC)cc([C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)c1	ZINC000093838140	1032560686	/nfs/dbraw/zinc/56/06/86/1032560686.db2.gz	KEZWEZJBGZEPEP-OAHLLOKOSA-N	1	0	316.445	3.823	10	30		DHEERO
CCCCCCCCc1ccc(CC[C@@]([NH3+])(CO)CCO)cc1	ZINC000043328018	183355060	/nfs/dbraw/zinc/35/50/60/183355060.db2.gz	QPCJNLCDIUUPRH-FQEVSTJZSA-N	1	0	321.505	3.594	10	30		DHEERO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)c(F)c1	ZINC000301994058	336342042	/nfs/dbraw/zinc/34/20/42/336342042.db2.gz	RLPMXAPQHJZNMP-MRXNPFEDSA-N	1	0	301.409	3.542	10	30		DHEERO
C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@H](C)C(C)C	ZINC000103908766	336383099	/nfs/dbraw/zinc/38/30/99/336383099.db2.gz	PWCLQSRVJQCGKZ-CYBMUJFWSA-N	1	0	316.474	3.520	10	30		DHEERO
C=CCc1cc(C[NH2+][C@H](C)c2ccc(C)o2)cc(OC)c1O	ZINC000113314172	336400743	/nfs/dbraw/zinc/40/07/43/336400743.db2.gz	FRZBOUSGBMKQSL-CYBMUJFWSA-N	1	0	301.386	3.882	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1F	ZINC000192049740	337302201	/nfs/dbraw/zinc/30/22/01/337302201.db2.gz	FVRJEFKPWFHBGV-QUCCMNQESA-N	1	0	324.399	3.785	10	30		DHEERO
CCCCCCCCC[C@H](C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1C#N	ZINC000584629158	337376416	/nfs/dbraw/zinc/37/64/16/337376416.db2.gz	JCGZDDPYKFOEFD-OKZBNKHCSA-N	1	0	321.509	3.995	10	30		DHEERO
COc1cccc(NC(=[NH2+])NCc2nc(C(C)C)c(C)s2)c1	ZINC000262525572	337618916	/nfs/dbraw/zinc/61/89/16/337618916.db2.gz	KRIVOFWBEGWWKO-UHFFFAOYSA-N	1	0	318.446	3.510	10	30		DHEERO
CC[C@H](C)NC(NCc1sc(-c2ccccc2)nc1C)=[NH+]C	ZINC000263272825	337625997	/nfs/dbraw/zinc/62/59/97/337625997.db2.gz	XKZPFHARUKILFO-LBPRGKRZSA-N	1	0	316.474	3.582	10	30		DHEERO
CCc1csc([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1	ZINC000157040324	522114604	/nfs/dbraw/zinc/11/46/04/522114604.db2.gz	VHKPAWDOLISVTL-MRXNPFEDSA-N	1	0	311.454	3.957	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)s1	ZINC000180241347	526612592	/nfs/dbraw/zinc/61/25/92/526612592.db2.gz	HPWNMQNELXFIQR-QAPCUYQASA-N	1	0	312.438	3.708	10	30		DHEERO
COC[C@@H](C)n1c(C)cc(C(=O)C[N+](C)(C)C2CCCC2)c1C	ZINC000007760418	717106042	/nfs/dbraw/zinc/10/60/42/717106042.db2.gz	PXLCCGYIDHBXQT-OAHLLOKOSA-N	1	0	321.485	3.514	10	30		DHEERO
CC[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCCCC#N	ZINC000037729085	182921084	/nfs/dbraw/zinc/92/10/84/182921084.db2.gz	HWDPJSDXVFTNNH-GFCCVEGCSA-N	1	0	301.217	3.956	10	30		DHEERO
CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cc(Br)ccc1O	ZINC000061891404	184192941	/nfs/dbraw/zinc/19/29/41/184192941.db2.gz	CKRRCBPNWLDCHX-SWHYSGLUSA-N	1	0	323.234	3.888	10	30		DHEERO
CC[N@H+](CCNc1cc(C#N)c2cc(Cl)ccc2n1)C1CC1	ZINC000301563107	336315114	/nfs/dbraw/zinc/31/51/14/336315114.db2.gz	JRIBMNFVOCCHKY-UHFFFAOYSA-N	1	0	314.820	3.656	10	30		DHEERO
C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1	ZINC000178273756	337161383	/nfs/dbraw/zinc/16/13/83/337161383.db2.gz	YTWYJZRPAHQIDI-DNVCBOLYSA-N	1	0	307.393	3.873	10	30		DHEERO
CCCCCCCC[C@H](CCO)OC(=O)OCCC[NH+](C)C	ZINC000584601126	337370826	/nfs/dbraw/zinc/37/08/26/337370826.db2.gz	ONWLVKMEMLYQKW-MRXNPFEDSA-N	1	0	317.470	3.593	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1	ZINC000250221382	340612602	/nfs/dbraw/zinc/61/26/02/340612602.db2.gz	SPNWWLWDCCPMOO-BPUTZDHNSA-N	1	0	319.246	3.588	10	30		DHEERO
C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(OC)cc1	ZINC000036102132	518718439	/nfs/dbraw/zinc/71/84/39/518718439.db2.gz	MUYSBXBKTREPMV-QGZVFWFLSA-N	1	0	315.413	3.618	10	30		DHEERO
C[N@H+](C/C=C/C#CC(C)(C)CO)Cc1cccc2ccccc21	ZINC000022061237	522406002	/nfs/dbraw/zinc/40/60/02/522406002.db2.gz	GPEJUKJZTGFNKY-XBXARRHUSA-N	1	0	307.437	3.850	10	30	world	DHEERO
C=CCOc1ccc(C[NH2+]CCCOC(C)C)cc1OCC	ZINC000013721816	563838991	/nfs/dbraw/zinc/83/89/91/563838991.db2.gz	TXKSKTQGAJDWRI-UHFFFAOYSA-N	1	0	307.434	3.555	10	30		DHEERO
C[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccccc1Cl	ZINC000029414108	717118512	/nfs/dbraw/zinc/11/85/12/717118512.db2.gz	RDRMKKURDXMXHO-ZDUSSCGKSA-O	1	0	309.861	3.536	10	30		DHEERO
CC(C)CN(CCC#N)c1ccc([C@@H](C)[NH3+])cc1Br	ZINC000061697985	184183860	/nfs/dbraw/zinc/18/38/60/184183860.db2.gz	BFDXHCKXBHJFHM-GFCCVEGCSA-N	1	0	324.266	3.845	10	30		DHEERO
C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccc(OCC#N)cc1	ZINC000181833255	333033674	/nfs/dbraw/zinc/03/36/74/333033674.db2.gz	BTEOMMGAZLLQHD-DLBZAZTESA-N	1	0	324.424	3.845	10	30		DHEERO
O=C(N[C@@H]1CCCc2c(O)cccc21)[C@H](C1CC1)[NH+]1CCCC1	ZINC000330075119	336111441	/nfs/dbraw/zinc/11/14/41/336111441.db2.gz	LPWXPUUBZXPEFI-AEFFLSMTSA-N	1	0	314.429	3.601	10	30		DHEERO
N#CCCCOc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1	ZINC000105468200	336387700	/nfs/dbraw/zinc/38/77/00/336387700.db2.gz	RBTNFNIACBLSGS-GOSISDBHSA-N	1	0	308.381	3.592	10	30		DHEERO
C=CCOc1cccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1	ZINC000123010574	337034005	/nfs/dbraw/zinc/03/40/05/337034005.db2.gz	MYEIWKFCQVUOAS-SFHVURJKSA-N	1	0	311.429	3.593	10	30		DHEERO
C[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000181929992	524195723	/nfs/dbraw/zinc/19/57/23/524195723.db2.gz	MMRJMDZSXSGLHS-ZIAGYGMSSA-N	1	0	317.433	3.512	10	30		DHEERO
Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1	ZINC000189896290	524685401	/nfs/dbraw/zinc/68/54/01/524685401.db2.gz	HTELHEZJHBFGDC-FUHWJXTLSA-N	1	0	320.440	3.757	10	30		DHEERO
Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccs2)c(C#N)c1C	ZINC000182205361	526880531	/nfs/dbraw/zinc/88/05/31/526880531.db2.gz	WUJPFUDXAAFHNQ-SNVBAGLBSA-N	1	0	319.455	3.587	10	30		DHEERO
C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[N+](C)(C)C1CCCC1	ZINC000015457898	717112398	/nfs/dbraw/zinc/11/23/98/717112398.db2.gz	DRPWECFJJFXLBB-LLVKDONJSA-O	1	0	313.824	3.825	10	30		DHEERO
CSc1cccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000029415054	717119026	/nfs/dbraw/zinc/11/90/26/717119026.db2.gz	NZTPKHVMFDPEKE-ZDUSSCGKSA-O	1	0	307.483	3.755	10	30		DHEERO
CCC[NH2+][C@H](C)c1ccc(N(C)CCC#N)c(Br)c1	ZINC000061694397	184183421	/nfs/dbraw/zinc/18/34/21/184183421.db2.gz	DQTAQNCIGMGICY-GFCCVEGCSA-N	1	0	324.266	3.860	10	30		DHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1	ZINC000061891996	184193035	/nfs/dbraw/zinc/19/30/35/184193035.db2.gz	JLBWHMDFQASLKD-ADNDVJRGSA-N	1	0	319.246	3.977	10	30		DHEERO
CN(C)C(=[NH+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N(C)C	ZINC000123555088	334736995	/nfs/dbraw/zinc/73/69/95/334736995.db2.gz	VBDUVBFQGUSFLJ-GXFFZTMASA-N	1	0	314.260	3.576	10	30		DHEERO
C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[NH+]1CCCCCC1	ZINC000329295028	335960958	/nfs/dbraw/zinc/96/09/58/335960958.db2.gz	SHNOPGDORUUAFP-IIAWOOMASA-N	1	0	323.481	3.741	10	30		DHEERO
C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1snc(Cl)c1C#N	ZINC000302019376	336343398	/nfs/dbraw/zinc/34/33/98/336343398.db2.gz	NAMZINZCXQANGC-NSHDSACASA-N	1	0	320.849	3.601	10	30		DHEERO
N#Cc1ccc(CN2CCCC[C@H]2c2nccs2)cc1F	ZINC000191977645	337302499	/nfs/dbraw/zinc/30/24/99/337302499.db2.gz	PEDVPTQBEFCDFL-HNNXBMFYSA-N	1	0	301.390	3.881	10	30		DHEERO
C[C@@H]([NH2+]CC#Cc1ccccc1)c1cccc(-n2ccnc2)c1	ZINC000192172377	337303568	/nfs/dbraw/zinc/30/35/68/337303568.db2.gz	VGJRSXSQBOOTJJ-QGZVFWFLSA-N	1	0	301.393	3.575	10	30		DHEERO
COc1ccc([C@H]2C[C@H](NC(=[NH2+])Nc3ccccc3)C2)cc1F	ZINC000261788035	337610500	/nfs/dbraw/zinc/61/05/00/337610500.db2.gz	KQBUCSPZEQYGBD-CTYIDZIISA-N	1	0	313.376	3.507	10	30		DHEERO
C[NH+]=C(NC1CCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000261997547	337614024	/nfs/dbraw/zinc/61/40/24/337614024.db2.gz	SUNJTUNUGGLGOW-INIZCTEOSA-N	1	0	313.445	3.541	10	30		DHEERO
N#C[C@H]1CCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1	ZINC000061891970	340746872	/nfs/dbraw/zinc/74/68/72/340746872.db2.gz	WUMFKQYTWIRJJB-FKFRUQKQSA-N	1	0	319.246	3.977	10	30		DHEERO
C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(Br)c1	ZINC000135139184	341232086	/nfs/dbraw/zinc/23/20/86/341232086.db2.gz	GBHNBNYNQVSBSU-SNVBAGLBSA-N	1	0	305.175	3.765	10	30		DHEERO
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1	ZINC000029415310	717118782	/nfs/dbraw/zinc/11/87/82/717118782.db2.gz	RDKYJJHNMYUIEH-JKSUJKDBSA-O	1	0	303.470	3.580	10	30		DHEERO
CC[C@@H](C#N)Oc1ccc(C[NH2+]C(C)C)cc1Br	ZINC000062701743	184248140	/nfs/dbraw/zinc/24/81/40/184248140.db2.gz	PWSSICQGYWNKEU-LBPRGKRZSA-N	1	0	311.223	3.628	10	30		DHEERO
CC(C)(C#N)c1ccccc1C[NH+]1CCC(Cn2cccn2)CC1	ZINC000135199951	332616486	/nfs/dbraw/zinc/61/64/86/332616486.db2.gz	JOMGFYBCEMJCJE-UHFFFAOYSA-N	1	0	322.456	3.596	10	30		DHEERO
Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(C)n1	ZINC000301651740	336320926	/nfs/dbraw/zinc/32/09/26/336320926.db2.gz	GKGHRIATBSQQMI-UHFFFAOYSA-N	1	0	320.440	3.647	10	30		DHEERO
C=CC[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[NH+](CC)CC	ZINC000584594914	337373918	/nfs/dbraw/zinc/37/39/18/337373918.db2.gz	IRJCTMIUPFHQIL-HNNXBMFYSA-N	1	0	307.434	3.541	10	30		DHEERO
CCCCCCCOc1ccccc1OC[C@H](O)C[NH2+]C(C)C	ZINC000584627946	337376281	/nfs/dbraw/zinc/37/62/81/337376281.db2.gz	XUSMYDJHGRFZEY-QGZVFWFLSA-N	1	0	323.477	3.774	10	30		DHEERO
COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H]1C1CCCCC1	ZINC000262426150	337617589	/nfs/dbraw/zinc/61/75/89/337617589.db2.gz	RQWRPAVZWVHILY-RDJZCZTQSA-N	1	0	301.434	3.528	10	30		DHEERO
Cc1csc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)n1	ZINC000156970686	526442708	/nfs/dbraw/zinc/44/27/08/526442708.db2.gz	CGFGZMIWNFBYJW-HNNXBMFYSA-N	1	0	315.417	3.842	10	30		DHEERO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]2CCCC[C@H]21	ZINC000245427654	526769615	/nfs/dbraw/zinc/76/96/15/526769615.db2.gz	WGGIEHZOHPCURR-UKRRQHHQSA-N	1	0	317.458	3.603	10	30		DHEERO
Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccs2)c(C#N)c1C	ZINC000182205347	526881005	/nfs/dbraw/zinc/88/10/05/526881005.db2.gz	WUJPFUDXAAFHNQ-JTQLQIEISA-N	1	0	319.455	3.587	10	30		DHEERO
C[N+](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1	ZINC000007760621	717106179	/nfs/dbraw/zinc/10/61/79/717106179.db2.gz	MQEDUHVTPVIYKU-UHFFFAOYSA-O	1	0	315.359	3.663	10	30		DHEERO
CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N+](C)(C)C1CCCC1	ZINC000073713128	717134804	/nfs/dbraw/zinc/13/48/04/717134804.db2.gz	FNAPSIGPWILMOY-QGZVFWFLSA-N	1	0	317.497	3.831	10	30		DHEERO
CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N+](C)(C)C1CCCC1	ZINC000073713129	717134864	/nfs/dbraw/zinc/13/48/64/717134864.db2.gz	FNAPSIGPWILMOY-KRWDZBQOSA-N	1	0	317.497	3.831	10	30		DHEERO
CCCN(Cc1ccc(C)cc1)C(=O)C[N+](C)(C)C1CCCC1	ZINC000128733970	717150949	/nfs/dbraw/zinc/15/09/49/717150949.db2.gz	PAVBJHGKDVZPLV-UHFFFAOYSA-N	1	0	317.497	3.753	10	30		DHEERO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1	ZINC000092757855	1032508123	/nfs/dbraw/zinc/50/81/23/1032508123.db2.gz	CTCSBWPCGPHFJN-LPHOPBHVSA-N	1	0	321.424	3.664	10	30		DHEERO
C=CC[NH+](CC=C)CC[C@@H](O)c1ccc(Br)cc1	ZINC000041145249	183176166	/nfs/dbraw/zinc/17/61/66/183176166.db2.gz	IPTIRCGYRYOJNG-OAHLLOKOSA-N	1	0	310.235	3.547	10	30		DHEERO
CC[NH2+]Cc1ccc(OCCCCC#N)c(Br)c1	ZINC000062701054	184247685	/nfs/dbraw/zinc/24/76/85/184247685.db2.gz	HQMDQHWMPQKAIB-UHFFFAOYSA-N	1	0	311.223	3.631	10	30		DHEERO
N#C[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1Br	ZINC000090251254	332084700	/nfs/dbraw/zinc/08/47/00/332084700.db2.gz	WXOXAXKXGYVLSM-RNCFNFMXSA-N	1	0	313.626	3.884	10	30		DHEERO
COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OC	ZINC000180845771	333028809	/nfs/dbraw/zinc/02/88/09/333028809.db2.gz	JIDFRDHLBBVLMQ-GFCCVEGCSA-N	1	0	314.360	3.565	10	30		DHEERO
C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1scnc1C1CC1	ZINC000330156488	336118866	/nfs/dbraw/zinc/11/88/66/336118866.db2.gz	PFZOHZQCULUIHG-LBPRGKRZSA-N	1	0	322.478	3.611	10	30		DHEERO
Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C#N)c(C)n1	ZINC000301769567	336328642	/nfs/dbraw/zinc/32/86/42/336328642.db2.gz	IPTIVNOBZJXOIE-HXUWFJFHSA-N	1	0	320.440	3.819	10	30		DHEERO
C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1	ZINC000178273769	337161402	/nfs/dbraw/zinc/16/14/02/337161402.db2.gz	YTWYJZRPAHQIDI-KXBFYZLASA-N	1	0	307.393	3.873	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1F	ZINC000192049733	337302189	/nfs/dbraw/zinc/30/21/89/337302189.db2.gz	FVRJEFKPWFHBGV-UYAOXDASSA-N	1	0	324.399	3.785	10	30		DHEERO
C=CC[C@H](Cc1cc(OC)c(OC)c(OC)c1)[NH+](CC)CC	ZINC000584594921	337373992	/nfs/dbraw/zinc/37/39/92/337373992.db2.gz	IRJCTMIUPFHQIL-OAHLLOKOSA-N	1	0	307.434	3.541	10	30		DHEERO
C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1	ZINC000036102491	518726570	/nfs/dbraw/zinc/72/65/70/518726570.db2.gz	QHPNPLUAMVZTPV-KRWDZBQOSA-N	1	0	303.377	3.748	10	30		DHEERO
Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1	ZINC000156508853	525802588	/nfs/dbraw/zinc/80/25/88/525802588.db2.gz	IRLRGGHVOTZGFU-ROUUACIJSA-N	1	0	310.397	3.720	10	30		DHEERO
CSc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1	ZINC000029415404	717119204	/nfs/dbraw/zinc/11/92/04/717119204.db2.gz	ZYSOXECDHYGVQY-CYBMUJFWSA-O	1	0	307.483	3.755	10	30		DHEERO
CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cc(Br)ccc1O	ZINC000061891405	184193074	/nfs/dbraw/zinc/19/30/74/184193074.db2.gz	CKRRCBPNWLDCHX-HONMWMINSA-N	1	0	323.234	3.888	10	30		DHEERO
CC[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)CC#N)c(Br)c1	ZINC000063087080	184269918	/nfs/dbraw/zinc/26/99/18/184269918.db2.gz	NQTXKTWUFQUSJW-NWDGAFQWSA-N	1	0	324.266	3.858	10	30		DHEERO
C=CCCCCC[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000195254466	335104785	/nfs/dbraw/zinc/10/47/85/335104785.db2.gz	SCCWYFQUKCDUNP-QGZVFWFLSA-N	1	0	321.534	3.952	10	30		DHEERO
C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1	ZINC000182174535	333037277	/nfs/dbraw/zinc/03/72/77/333037277.db2.gz	XQJUBLVSSGERQG-IRXDYDNUSA-N	1	0	307.441	3.729	10	30		DHEERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C1	ZINC000302285245	336356777	/nfs/dbraw/zinc/35/67/77/336356777.db2.gz	LKJVSELFALJFII-ABAIWWIYSA-N	1	0	311.351	3.718	10	30		DHEERO
Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1	ZINC000181409988	337183986	/nfs/dbraw/zinc/18/39/86/337183986.db2.gz	KJDGXLDKQTXLDJ-INIZCTEOSA-N	1	0	323.440	3.775	10	30		DHEERO
Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccs2)c(C#N)c1C	ZINC000193217136	337309444	/nfs/dbraw/zinc/30/94/44/337309444.db2.gz	UMHOIDQJFYNSEX-WDEREUQCSA-N	1	0	317.414	3.507	10	30		DHEERO
CCCCCCCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)C	ZINC000584627945	337376274	/nfs/dbraw/zinc/37/62/74/337376274.db2.gz	XUSMYDJHGRFZEY-KRWDZBQOSA-N	1	0	323.477	3.774	10	30		DHEERO
Cc1sc(CNC(=[NH2+])Nc2cc(F)ccc2F)nc1C(C)C	ZINC000262304132	337616659	/nfs/dbraw/zinc/61/66/59/337616659.db2.gz	QYUVYPDZTLWSAJ-UHFFFAOYSA-N	1	0	324.400	3.780	10	30		DHEERO
N#CC1(Nc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1	ZINC000033605075	526439419	/nfs/dbraw/zinc/43/94/19/526439419.db2.gz	GBJAQCLSQLBKOW-UHFFFAOYSA-N	1	0	309.388	3.796	10	30		DHEERO
C[C@@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1ccc(Cl)cc1	ZINC000029415399	717119535	/nfs/dbraw/zinc/11/95/35/717119535.db2.gz	IIVWGVWDELHFNA-KGLIPLIRSA-O	1	0	323.888	3.925	10	30		DHEERO
C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N+](C)(C)C1CCCC1	ZINC000015457900	717112189	/nfs/dbraw/zinc/11/21/89/717112189.db2.gz	UGKNCWGXYIFHBL-LLVKDONJSA-O	1	0	313.824	3.825	10	30		DHEERO
CCC[C@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccccc1	ZINC000029414361	717118942	/nfs/dbraw/zinc/11/89/42/717118942.db2.gz	APVTULWKGPILKV-SFHVURJKSA-O	1	0	303.470	3.663	10	30		DHEERO
COc1ccc([C@H]2C[C@@H](C)[N@H+](CCCSCC#N)C2)cc1	ZINC000074991208	1030628993	/nfs/dbraw/zinc/62/89/93/1030628993.db2.gz	HYDKPCYXHHRPEN-ZBFHGGJFSA-N	1	0	304.459	3.520	10	30		DHEERO
C=CCCCCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1	ZINC000195278825	335102926	/nfs/dbraw/zinc/10/29/26/335102926.db2.gz	MMEHUUVZSUMMRM-IBGZPJMESA-N	1	0	301.478	3.582	10	30		DHEERO
C[NH+](C)[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)c1ccsc1	ZINC000329815865	336085595	/nfs/dbraw/zinc/08/55/95/336085595.db2.gz	DQLGEHNXGMUCDG-ZIAGYGMSSA-N	1	0	323.462	3.597	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1F	ZINC000192049728	337302279	/nfs/dbraw/zinc/30/22/79/337302279.db2.gz	FVRJEFKPWFHBGV-ICSRJNTNSA-N	1	0	324.399	3.785	10	30		DHEERO
Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccs2)c(C#N)c1C	ZINC000193217168	337309431	/nfs/dbraw/zinc/30/94/31/337309431.db2.gz	UMHOIDQJFYNSEX-GHMZBOCLSA-N	1	0	317.414	3.507	10	30		DHEERO
N#CCC[NH2+]CCCCCCCCCCCC[NH2+]CCC#N	ZINC000584650400	337380831	/nfs/dbraw/zinc/38/08/31/337380831.db2.gz	HNELERIJVRSJRN-UHFFFAOYSA-N	1	0	306.498	3.894	10	30		DHEERO
Cc1cc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)nc(C)n1	ZINC000261767668	337610103	/nfs/dbraw/zinc/61/01/03/337610103.db2.gz	MBORBCIRLVXGHS-UHFFFAOYSA-N	1	0	323.444	3.547	10	30		DHEERO
CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cc(C)nc(C)n2)cc1	ZINC000261900365	337612374	/nfs/dbraw/zinc/61/23/74/337612374.db2.gz	VWFRJGVYNXFZJB-LBPRGKRZSA-N	1	0	311.433	3.534	10	30		DHEERO
C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000181929955	524195349	/nfs/dbraw/zinc/19/53/49/524195349.db2.gz	MMRJMDZSXSGLHS-KGLIPLIRSA-N	1	0	317.433	3.512	10	30		DHEERO
C=CC[N@@H+](Cc1ccc(C)s1)Cc1cc(C#CCO)cs1	ZINC000067789015	563457337	/nfs/dbraw/zinc/45/73/37/563457337.db2.gz	ZPEREBKYGJUKOZ-UHFFFAOYSA-N	1	0	317.479	3.650	10	30		DHEERO
C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1	ZINC000036115576	563894284	/nfs/dbraw/zinc/89/42/84/563894284.db2.gz	BGOAXHWDDAKLQR-FQEVSTJZSA-N	1	0	311.425	3.634	10	30		DHEERO
CC(C)(C)c1ccc(NC(=O)C[N+](C)(C)C2CCCC2)cc1	ZINC000007760650	717105883	/nfs/dbraw/zinc/10/58/83/717105883.db2.gz	OYHKBKSJCRGYEE-UHFFFAOYSA-O	1	0	303.470	3.942	10	30		DHEERO
N#C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1	ZINC000061891994	184192858	/nfs/dbraw/zinc/19/28/58/184192858.db2.gz	JLBWHMDFQASLKD-FKFRUQKQSA-N	1	0	319.246	3.977	10	30		DHEERO
C[C@@H]([NH2+]CCCSCC#N)c1ccccc1Br	ZINC000181574228	333170477	/nfs/dbraw/zinc/17/04/77/333170477.db2.gz	CLBAXTRMFJWEGL-LLVKDONJSA-N	1	0	313.264	3.747	10	30		DHEERO
C=CC[NH2+]CCN[C@@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000584614319	337372666	/nfs/dbraw/zinc/37/26/66/337372666.db2.gz	AZAZPLXOPVDTOD-SFHVURJKSA-N	1	0	300.833	3.795	10	30		DHEERO
CC(C)Oc1ccc(NC(=[NH2+])N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1	ZINC000262453873	337618329	/nfs/dbraw/zinc/61/83/29/337618329.db2.gz	FBRFRRRIMOHDEE-IPMKNSEASA-N	1	0	321.424	3.539	10	30		DHEERO
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C(C)(C)C#N	ZINC000245938169	341319026	/nfs/dbraw/zinc/31/90/26/341319026.db2.gz	AJBYZDGDDZTSNY-MSOLQXFVSA-N	1	0	311.473	3.546	10	30		DHEERO
CCc1csc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1	ZINC000157045836	522113867	/nfs/dbraw/zinc/11/38/67/522113867.db2.gz	AOSCSPJPXGANIO-MRXNPFEDSA-N	1	0	311.454	3.957	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)s1	ZINC000180241315	526613106	/nfs/dbraw/zinc/61/31/06/526613106.db2.gz	HPWNMQNELXFIQR-YJBOKZPZSA-N	1	0	312.438	3.708	10	30		DHEERO
COc1cc(OC)cc([C@H]2CC[N@H+](CCCC(C)(C)C#N)C2)c1	ZINC000083402931	1032194859	/nfs/dbraw/zinc/19/48/59/1032194859.db2.gz	PSZLNKQFETUXOT-HNNXBMFYSA-N	1	0	316.445	3.823	10	30		DHEERO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1	ZINC000092757857	1032508208	/nfs/dbraw/zinc/50/82/08/1032508208.db2.gz	CTCSBWPCGPHFJN-APWZRJJASA-N	1	0	321.424	3.664	10	30		DHEERO
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C[NH3+])cc1	ZINC000037800124	331586521	/nfs/dbraw/zinc/58/65/21/331586521.db2.gz	FXMDDCKZDBFSOF-UHFFFAOYSA-N	1	0	320.845	3.689	10	30		DHEERO
O=C(N[C@@H]1CCCc2c(O)cccc21)[C@@H](C1CC1)[NH+]1CCCC1	ZINC000330075120	336111371	/nfs/dbraw/zinc/11/13/71/336111371.db2.gz	LPWXPUUBZXPEFI-SJLPKXTDSA-N	1	0	314.429	3.601	10	30		DHEERO
CC(=O)c1ccc(C#N)c(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1	ZINC000302132336	336350016	/nfs/dbraw/zinc/35/00/16/336350016.db2.gz	YRKNOIBDFCJSQW-LIRRHRJNSA-N	1	0	313.445	3.683	10	30		DHEERO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1cccc(C#N)c1	ZINC000189877846	337282622	/nfs/dbraw/zinc/28/26/22/337282622.db2.gz	AHYUXTQPQJAEQO-KBXCAEBGSA-N	1	0	308.429	3.807	10	30		DHEERO
CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C#N)s1	ZINC000263095791	337624367	/nfs/dbraw/zinc/62/43/67/337624367.db2.gz	JIASISZVYXNIEF-UHFFFAOYSA-N	1	0	312.442	3.671	10	30		DHEERO
C[S@+](CC(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000005377710	181236667	/nfs/dbraw/zinc/23/66/67/181236667.db2.gz	PYULPSLPYLLZEB-SFHVURJKSA-N	1	0	322.247	3.939	10	30		DHEERO
N#Cc1cc(C(F)(F)F)ccc1N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000261769608	332029956	/nfs/dbraw/zinc/02/99/56/332029956.db2.gz	QQZOXWBOENVCSM-OAHLLOKOSA-N	1	0	323.362	3.545	10	30		DHEERO
CC[N@@H+]1CCC[C@H]1CNc1cc(C#N)c2cc(Cl)ccc2n1	ZINC000301940567	336339013	/nfs/dbraw/zinc/33/90/13/336339013.db2.gz	ZOCUHIOIETZFMR-AWEZNQCLSA-N	1	0	314.820	3.656	10	30		DHEERO
N#Cc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1F	ZINC000191977640	337302457	/nfs/dbraw/zinc/30/24/57/337302457.db2.gz	PEDVPTQBEFCDFL-OAHLLOKOSA-N	1	0	301.390	3.881	10	30		DHEERO
[NH2+]=C(NC1CC(c2ccc(F)c(Cl)c2)C1)NC1CCCC1	ZINC000262175491	337615798	/nfs/dbraw/zinc/61/57/98/337615798.db2.gz	POBZVDLXZHQMSG-UHFFFAOYSA-N	1	0	309.816	3.572	10	30		DHEERO
C[C@H]1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21	ZINC000132358519	341121218	/nfs/dbraw/zinc/12/12/18/341121218.db2.gz	AQAAKRBYXJFINJ-IFXJQAMLSA-N	1	0	316.408	3.934	10	30		DHEERO
N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)C1	ZINC000248900620	341389783	/nfs/dbraw/zinc/38/97/83/341389783.db2.gz	ULDBGMHKFWBHOX-AABGKKOBSA-N	1	0	311.473	3.713	10	30		DHEERO
C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N+](C)(C)C1CCCC1	ZINC000029415396	717119236	/nfs/dbraw/zinc/11/92/36/717119236.db2.gz	IIVWGVWDELHFNA-UONOGXRCSA-O	1	0	323.888	3.925	10	30		DHEERO
C#CCCOc1ccc(C[NH2+]C(C)(C)C)cc1Br	ZINC000062727963	184250790	/nfs/dbraw/zinc/25/07/90/184250790.db2.gz	XFRPORYCKOWPED-UHFFFAOYSA-N	1	0	310.235	3.739	10	30		DHEERO
CC[C@H](C#N)Oc1ccc(C[NH2+]C(C)C)cc1Br	ZINC000062701745	184248217	/nfs/dbraw/zinc/24/82/17/184248217.db2.gz	PWSSICQGYWNKEU-GFCCVEGCSA-N	1	0	311.223	3.628	10	30		DHEERO
CCc1csc([C@H]2CCC[N@H+](CCCSCC#N)C2)n1	ZINC000173876780	333079394	/nfs/dbraw/zinc/07/93/94/333079394.db2.gz	SZDLSLKYYJTYJL-ZDUSSCGKSA-N	1	0	309.504	3.532	10	30		DHEERO
C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C	ZINC000181930037	333147062	/nfs/dbraw/zinc/14/70/62/333147062.db2.gz	KGOOXMRNXYHFRD-KGLIPLIRSA-N	1	0	317.433	3.512	10	30		DHEERO
C[NH+]=C(NCc1ncccc1C)N[C@@H](C)c1ccc(C(C)C)cc1	ZINC000176298869	337150843	/nfs/dbraw/zinc/15/08/43/337150843.db2.gz	QLKVVYVZWBUGFZ-INIZCTEOSA-N	1	0	324.472	3.940	10	30		DHEERO
Cc1ccc(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1	ZINC000003176776	526052588	/nfs/dbraw/zinc/05/25/88/526052588.db2.gz	OCVSQFJPRLHORH-UHFFFAOYSA-N	1	0	302.397	3.756	10	30		DHEERO
COc1cc(OC)cc([C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)c1	ZINC000093838139	1032560005	/nfs/dbraw/zinc/56/00/05/1032560005.db2.gz	KEZWEZJBGZEPEP-HNNXBMFYSA-N	1	0	316.445	3.823	10	30		DHEERO
CN(C)c1cc[n+]([C@H](C(=O)c2ccccc2)c2ccccc2)cc1	ZINC000005342505	181231765	/nfs/dbraw/zinc/23/17/65/181231765.db2.gz	KHMJJAZLOIJDRT-FQEVSTJZSA-N	1	0	317.412	3.512	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2Br)C1	ZINC000061892013	184192963	/nfs/dbraw/zinc/19/29/63/184192963.db2.gz	GYLBBCZUUXGRKD-ITDKRANNSA-N	1	0	319.246	3.977	10	30		DHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1	ZINC000061891995	184193231	/nfs/dbraw/zinc/19/32/31/184193231.db2.gz	JLBWHMDFQASLKD-XCAIRMDXSA-N	1	0	319.246	3.977	10	30		DHEERO
C#CCCOc1ccc(Br)cc1C[NH2+]CC(C)C	ZINC000062730005	184250456	/nfs/dbraw/zinc/25/04/56/184250456.db2.gz	ITNONMYNKGUOKP-UHFFFAOYSA-N	1	0	310.235	3.597	10	30		DHEERO
CC[N+](CC)=C1CC[C@@H]2Nc3c(cc(N)c4ccccc43)O[C@H]2C1	ZINC000504708263	257140548	/nfs/dbraw/zinc/14/05/48/257140548.db2.gz	RDQHBXBEAYEXPR-ROUUACIJSA-N	1	0	324.448	3.641	10	30		DHEERO
N#C[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1Br	ZINC000090251253	332084743	/nfs/dbraw/zinc/08/47/43/332084743.db2.gz	WXOXAXKXGYVLSM-NOZJJQNGSA-N	1	0	313.626	3.884	10	30		DHEERO
CC[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000188668124	333384987	/nfs/dbraw/zinc/38/49/87/333384987.db2.gz	GIBPNCCPXWFURE-CVEARBPZSA-N	1	0	323.481	3.838	10	30		DHEERO
CC[C@H]([NH2+]CCCCC#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000188668101	333385165	/nfs/dbraw/zinc/38/51/65/333385165.db2.gz	GIBPNCCPXWFURE-HOTGVXAUSA-N	1	0	323.481	3.838	10	30		DHEERO
N#Cc1nc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)ccc1Cl	ZINC000301172251	336293198	/nfs/dbraw/zinc/29/31/98/336293198.db2.gz	GVHXROKRSFUAMB-ZDUSSCGKSA-N	1	0	318.852	3.816	10	30		DHEERO
C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(CSC)cn1	ZINC000072480995	563813934	/nfs/dbraw/zinc/81/39/34/563813934.db2.gz	YHJYHMALRYUUGO-INIZCTEOSA-N	1	0	306.475	3.754	10	30		DHEERO
C[N+](C)(CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1	ZINC000007760674	717106270	/nfs/dbraw/zinc/10/62/70/717106270.db2.gz	VGHXQDRZAJABLC-UHFFFAOYSA-O	1	0	316.252	3.951	10	30		DHEERO
COc1ccc([C@H]2C[C@H](C)[N@H+](CCCSCC#N)C2)cc1	ZINC000074991209	1030627393	/nfs/dbraw/zinc/62/73/93/1030627393.db2.gz	HYDKPCYXHHRPEN-HOCLYGCPSA-N	1	0	304.459	3.520	10	30		DHEERO
C[NH+](C)CCCN1c2ccccc2CCc2ccc(C#N)cc21	ZINC000000001141	180667266	/nfs/dbraw/zinc/66/72/66/180667266.db2.gz	LQXYCDLHSKICDY-UHFFFAOYSA-N	1	0	305.425	3.747	10	30	in-man	DHEERO
CCCCn1c(C)[n+](CC(=O)c2ccccc2)c2ccccc21	ZINC000005310428	181228448	/nfs/dbraw/zinc/22/84/48/181228448.db2.gz	SGBAJTIEZFYTQL-UHFFFAOYSA-N	1	0	307.417	3.920	10	30		DHEERO
C=CC[NH+](CC=C)CC[C@H](O)c1ccc(Br)cc1	ZINC000041145248	183176024	/nfs/dbraw/zinc/17/60/24/183176024.db2.gz	IPTIRCGYRYOJNG-HNNXBMFYSA-N	1	0	310.235	3.547	10	30		DHEERO
CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000152351610	332278711	/nfs/dbraw/zinc/27/87/11/332278711.db2.gz	VKEQFWDAQJTYJW-SFHVURJKSA-N	1	0	321.424	3.536	10	30		DHEERO
N#Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCCCCC2)C1	ZINC000301990815	336341809	/nfs/dbraw/zinc/34/18/09/336341809.db2.gz	PEQHOAPAXCDHMA-KRWDZBQOSA-N	1	0	301.409	3.542	10	30		DHEERO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)c(F)c1	ZINC000301994056	336342106	/nfs/dbraw/zinc/34/21/06/336342106.db2.gz	RLPMXAPQHJZNMP-INIZCTEOSA-N	1	0	301.409	3.542	10	30		DHEERO
CC(=O)c1ccc(C#N)c(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1	ZINC000302132335	336349985	/nfs/dbraw/zinc/34/99/85/336349985.db2.gz	YRKNOIBDFCJSQW-KUHUBIRLSA-N	1	0	313.445	3.683	10	30		DHEERO
[NH2+]=C(NCC1(C(F)(F)F)CCC1)Nc1ccc2c(c1)CCC2	ZINC000262670935	337620330	/nfs/dbraw/zinc/62/03/30/337620330.db2.gz	QVRIBBWTQLXUDW-UHFFFAOYSA-N	1	0	311.351	3.635	10	30		DHEERO
N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br	ZINC000232467877	340632651	/nfs/dbraw/zinc/63/26/51/340632651.db2.gz	ZLIRBZLPNROIBR-COLVAYQJSA-N	1	0	305.219	3.718	10	30		DHEERO
C[N+](C)(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCC1	ZINC000007760631	717106286	/nfs/dbraw/zinc/10/62/86/717106286.db2.gz	UHMJGJYFFOLELR-UHFFFAOYSA-O	1	0	316.252	3.951	10	30		DHEERO
C[C@@H](NC(=O)C[N+](C)(C)C1CCCC1)c1ccccc1Cl	ZINC000029414107	717118284	/nfs/dbraw/zinc/11/82/84/717118284.db2.gz	RDRMKKURDXMXHO-CYBMUJFWSA-O	1	0	309.861	3.536	10	30		DHEERO
Cc1cccc([C@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4[NH+]=C3C2)c1	ZINC000017031801	182070231	/nfs/dbraw/zinc/07/02/31/182070231.db2.gz	RMNMSSDXBADCPS-NJAFHUGGSA-N	1	0	308.425	3.681	10	30		DHEERO
Cn1c2c(nc1[C@@H]1CCCN1c1cccc(F)c1C#N)CCCC2	ZINC000275664851	257257137	/nfs/dbraw/zinc/25/71/37/257257137.db2.gz	PEADOEWODQTWHD-SFHVURJKSA-N	1	0	324.403	3.651	10	30		DHEERO
N#Cc1cc(C(F)(F)F)ccc1N1CCC([NH2+]CC2CC2)CC1	ZINC000261740099	331909133	/nfs/dbraw/zinc/90/91/33/331909133.db2.gz	NUHGAZCDBDVZID-UHFFFAOYSA-N	1	0	323.362	3.545	10	30		DHEERO
N#CCCCOc1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1	ZINC000237825678	332392820	/nfs/dbraw/zinc/39/28/20/332392820.db2.gz	OVQSPILAFKWJGC-LJQANCHMSA-N	1	0	322.408	3.983	10	30		DHEERO
C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1	ZINC000181833217	333033700	/nfs/dbraw/zinc/03/37/00/333033700.db2.gz	BTEOMMGAZLLQHD-IRXDYDNUSA-N	1	0	324.424	3.845	10	30		DHEERO
C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2coc(C3CCCCC3)n2)C1	ZINC000328708634	334749930	/nfs/dbraw/zinc/74/99/30/334749930.db2.gz	BDSZHZBNDHBGGE-KGLIPLIRSA-N	1	0	305.422	3.510	10	30		DHEERO
C[C@H]([NH2+]CC#Cc1ccccc1)c1cccc(-n2ccnc2)c1	ZINC000192172371	337303674	/nfs/dbraw/zinc/30/36/74/337303674.db2.gz	VGJRSXSQBOOTJJ-KRWDZBQOSA-N	1	0	301.393	3.575	10	30		DHEERO
C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@H](C)C(C)C	ZINC000263248605	337625839	/nfs/dbraw/zinc/62/58/39/337625839.db2.gz	NYBRDCALYZMVIT-SNVBAGLBSA-N	1	0	324.881	3.659	10	30		DHEERO
C=CCOc1ccc(C[NH2+]Cc2ccccc2OC)cc1OC	ZINC000013720499	519034537	/nfs/dbraw/zinc/03/45/37/519034537.db2.gz	INALEHMBOIEQLN-UHFFFAOYSA-N	1	0	313.397	3.558	10	30		DHEERO
C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cccc(C#N)n1	ZINC000072429128	563813594	/nfs/dbraw/zinc/81/35/94/563813594.db2.gz	MLNGHHFJHHMWJF-ZIFCJYIRSA-N	1	0	323.440	3.565	10	30		DHEERO
CCCCCCCCCCCC[N+](C)(C)CCOCCO	ZINC000111903751	717149279	/nfs/dbraw/zinc/14/92/79/717149279.db2.gz	SZNWGQDZYCNQJL-UHFFFAOYSA-N	1	0	302.523	3.993	10	30		DHEERO
COC[C@H](C)n1c(C)cc(C(=O)C[N+](C)(C)C2CCCC2)c1C	ZINC000007760417	717106145	/nfs/dbraw/zinc/10/61/45/717106145.db2.gz	PXLCCGYIDHBXQT-HNNXBMFYSA-N	1	0	321.485	3.514	10	30		DHEERO
Cc1c(Cl)cccc1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1	ZINC000015457887	717112126	/nfs/dbraw/zinc/11/21/26/717112126.db2.gz	GUKPLPZJZVFCPD-ZDUSSCGKSA-O	1	0	309.861	3.994	10	30		DHEERO
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N+](C)(C)C1CCCC1	ZINC000029415313	717118840	/nfs/dbraw/zinc/11/88/40/717118840.db2.gz	RDKYJJHNMYUIEH-CVEARBPZSA-O	1	0	303.470	3.580	10	30		DHEERO
CC#CCOc1c(Br)cccc1C[NH2+]C(C)(C)C	ZINC000062733560	184251427	/nfs/dbraw/zinc/25/14/27/184251427.db2.gz	FTSWVKSPESSTBM-UHFFFAOYSA-N	1	0	310.235	3.739	10	30		DHEERO
CC[N+](CC)=C1CC[C@H]2Nc3c(cc(N)c4ccccc43)O[C@H]2C1	ZINC000504708259	257140696	/nfs/dbraw/zinc/14/06/96/257140696.db2.gz	RDQHBXBEAYEXPR-MSOLQXFVSA-N	1	0	324.448	3.641	10	30		DHEERO
Cn1c2c(nc1[C@H]1CCCN1c1cccc(F)c1C#N)CCCC2	ZINC000275664846	257256925	/nfs/dbraw/zinc/25/69/25/257256925.db2.gz	PEADOEWODQTWHD-GOSISDBHSA-N	1	0	324.403	3.651	10	30		DHEERO
N#Cc1ccc(N2CCC([NH2+]CC3CC3)CC2)cc1C(F)(F)F	ZINC000261766869	332021721	/nfs/dbraw/zinc/02/17/21/332021721.db2.gz	QKAKBXTZAZZJAI-UHFFFAOYSA-N	1	0	323.362	3.545	10	30		DHEERO
C=CCCCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000193325577	337310444	/nfs/dbraw/zinc/31/04/44/337310444.db2.gz	GSTBCQDXPINEAV-INIZCTEOSA-N	1	0	302.466	3.888	10	30		DHEERO
C[NH+]=C(NCc1sc2ccc(Cl)cc2c1C)NC1CC1	ZINC000262796202	337621268	/nfs/dbraw/zinc/62/12/68/337621268.db2.gz	POYOTCHHKDZXLS-UHFFFAOYSA-N	1	0	307.850	3.691	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1	ZINC000061891973	340746925	/nfs/dbraw/zinc/74/69/25/340746925.db2.gz	WUMFKQYTWIRJJB-QTISTPMNSA-N	1	0	319.246	3.977	10	30		DHEERO
Cc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1Cl	ZINC000029415042	717118768	/nfs/dbraw/zinc/11/87/68/717118768.db2.gz	AWWONTHLWQXAAW-CYBMUJFWSA-O	1	0	309.861	3.994	10	30		DHEERO
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N+](C)(C)C1CCCC1	ZINC000029415315	717119054	/nfs/dbraw/zinc/11/90/54/717119054.db2.gz	RDKYJJHNMYUIEH-HOTGVXAUSA-O	1	0	303.470	3.580	10	30		DHEERO
CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cc(Br)ccc1O	ZINC000061891403	184193243	/nfs/dbraw/zinc/19/32/43/184193243.db2.gz	CKRRCBPNWLDCHX-LERXQTSPSA-N	1	0	323.234	3.888	10	30		DHEERO
CC[N+](CC)=C1CC[C@@H]2Nc3c(cc(N)c4ccccc43)O[C@@H]2C1	ZINC000504708264	257140677	/nfs/dbraw/zinc/14/06/77/257140677.db2.gz	RDQHBXBEAYEXPR-ZWKOTPCHSA-N	1	0	324.448	3.641	10	30		DHEERO
C[N@@H+]1CC[C@@H](CNC(=O)CC2=CCCCC2)[C@@H]1c1cccnc1	ZINC000328633391	257263620	/nfs/dbraw/zinc/26/36/20/257263620.db2.gz	SPDBJDWFGFPQNK-HKUYNNGSSA-N	1	0	313.445	3.921	10	30		DHEERO
N#Cc1cc(C(F)(F)F)ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000261769606	332030013	/nfs/dbraw/zinc/03/00/13/332030013.db2.gz	QQZOXWBOENVCSM-HNNXBMFYSA-N	1	0	323.362	3.545	10	30		DHEERO
CC(=O)c1ccc(C#N)c(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1	ZINC000302132334	336350031	/nfs/dbraw/zinc/35/00/31/336350031.db2.gz	YRKNOIBDFCJSQW-IFXJQAMLSA-N	1	0	313.445	3.683	10	30		DHEERO
C=CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1	ZINC000123010311	337034034	/nfs/dbraw/zinc/03/40/34/337034034.db2.gz	MYEIWKFCQVUOAS-GOSISDBHSA-N	1	0	311.429	3.593	10	30		DHEERO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000176695344	337152719	/nfs/dbraw/zinc/15/27/19/337152719.db2.gz	WGGIEHZOHPCURR-HIFRSBDPSA-N	1	0	317.458	3.603	10	30		DHEERO
C=CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000193325562	337310472	/nfs/dbraw/zinc/31/04/72/337310472.db2.gz	GSTBCQDXPINEAV-MRXNPFEDSA-N	1	0	302.466	3.888	10	30		DHEERO
C=CC[NH2+]Cc1cc(Br)cc(OC)c1OCCC	ZINC000020934233	518952346	/nfs/dbraw/zinc/95/23/46/518952346.db2.gz	FXUVRURLBTVRKC-UHFFFAOYSA-N	1	0	314.223	3.522	10	30		DHEERO
C=CCC[C@H](C[NH+]1CCCC1)Oc1ccc(CSC)cn1	ZINC000072480996	563813873	/nfs/dbraw/zinc/81/38/73/563813873.db2.gz	YHJYHMALRYUUGO-MRXNPFEDSA-N	1	0	306.475	3.754	10	30		DHEERO
C[C@@H](NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1)c1ccc(Cl)cc1	ZINC000029415394	717119481	/nfs/dbraw/zinc/11/94/81/717119481.db2.gz	IIVWGVWDELHFNA-ZIAGYGMSSA-O	1	0	323.888	3.925	10	30		DHEERO
CSc1cccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c1	ZINC000029415051	717118774	/nfs/dbraw/zinc/11/87/74/717118774.db2.gz	NZTPKHVMFDPEKE-CYBMUJFWSA-O	1	0	307.483	3.755	10	30		DHEERO
CCC[NH2+]Cc1ccc(O[C@@H](C#N)CC)c(Br)c1	ZINC000062701330	184248125	/nfs/dbraw/zinc/24/81/25/184248125.db2.gz	AALOBDMZYRDQHM-GFCCVEGCSA-N	1	0	311.223	3.630	10	30		DHEERO
CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1	ZINC000152351707	332278786	/nfs/dbraw/zinc/27/87/86/332278786.db2.gz	VKEQFWDAQJTYJW-GOSISDBHSA-N	1	0	321.424	3.536	10	30		DHEERO
C=CCCCCC[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000195254452	335104816	/nfs/dbraw/zinc/10/48/16/335104816.db2.gz	SCCWYFQUKCDUNP-KRWDZBQOSA-N	1	0	321.534	3.952	10	30		DHEERO
CC[C@H]([NH2+]CCCCC#N)[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000188668144	333385092	/nfs/dbraw/zinc/38/50/92/333385092.db2.gz	GIBPNCCPXWFURE-JKSUJKDBSA-N	1	0	323.481	3.838	10	30		DHEERO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2coc(C3CCCCC3)n2)C1	ZINC000328711541	334750113	/nfs/dbraw/zinc/75/01/13/334750113.db2.gz	BDSZHZBNDHBGGE-UONOGXRCSA-N	1	0	305.422	3.510	10	30		DHEERO
C[C@@H]1CCc2nc(NC(=O)c3ccc4c[nH+]cn4c3)sc2C1	ZINC000328877111	334762838	/nfs/dbraw/zinc/76/28/38/334762838.db2.gz	SZDXPXUAUKCTKC-SNVBAGLBSA-N	1	0	312.398	3.552	10	30		DHEERO
Cc1cnn([C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)c1	ZINC000177142997	337154204	/nfs/dbraw/zinc/15/42/04/337154204.db2.gz	JAFDVKOZWLQABG-SFHVURJKSA-N	1	0	313.832	3.534	10	30		DHEERO
C[C@H](NC(=[NH2+])N[C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cc1Cl	ZINC000263189155	337625238	/nfs/dbraw/zinc/62/52/38/337625238.db2.gz	XQLZEUCZLNHBDD-IHBFAXJASA-N	1	0	322.186	3.612	10	30		DHEERO
N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br	ZINC000300534021	340230523	/nfs/dbraw/zinc/23/05/23/340230523.db2.gz	ZLIRBZLPNROIBR-VQISRLSMSA-N	1	0	305.219	3.718	10	30		DHEERO
C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(Br)c1	ZINC000135139167	341232113	/nfs/dbraw/zinc/23/21/13/341232113.db2.gz	GBHNBNYNQVSBSU-JTQLQIEISA-N	1	0	305.175	3.765	10	30		DHEERO
C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(OC)cc1	ZINC000036102134	518726412	/nfs/dbraw/zinc/72/64/12/518726412.db2.gz	MUYSBXBKTREPMV-KRWDZBQOSA-N	1	0	315.413	3.618	10	30		DHEERO
Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1	ZINC000029415109	717118803	/nfs/dbraw/zinc/11/88/03/717118803.db2.gz	JFLASPVOCZVCFL-ZDUSSCGKSA-O	1	0	309.861	3.994	10	30		DHEERO
COc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000039203977	183014760	/nfs/dbraw/zinc/01/47/60/183014760.db2.gz	XXKNWIAJOFDAHK-UHFFFAOYSA-N	1	0	321.424	3.665	10	30		DHEERO
CCCCCCCCCCc1ccc(C([NH3+])(CO)CO)cc1	ZINC000042989514	183326176	/nfs/dbraw/zinc/32/61/76/183326176.db2.gz	WFIAKGCLOHYWAM-UHFFFAOYSA-N	1	0	307.478	3.508	10	30		DHEERO
CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)CCO)cc1	ZINC000043328017	183355196	/nfs/dbraw/zinc/35/51/96/183355196.db2.gz	QPCJNLCDIUUPRH-HXUWFJFHSA-N	1	0	321.505	3.594	10	30		DHEERO
CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cc(Br)ccc1O	ZINC000061891402	184192930	/nfs/dbraw/zinc/19/29/30/184192930.db2.gz	CKRRCBPNWLDCHX-DDTOSNHZSA-N	1	0	323.234	3.888	10	30		DHEERO
C[C@H]([NH2+]CCCSCC#N)c1ccccc1Br	ZINC000181574216	333170436	/nfs/dbraw/zinc/17/04/36/333170436.db2.gz	CLBAXTRMFJWEGL-NSHDSACASA-N	1	0	313.264	3.747	10	30		DHEERO
C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1scnc1C1CC1	ZINC000330156487	336118827	/nfs/dbraw/zinc/11/88/27/336118827.db2.gz	PFZOHZQCULUIHG-GFCCVEGCSA-N	1	0	322.478	3.611	10	30		DHEERO
N#Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCCCCC2)C1	ZINC000301990816	336341810	/nfs/dbraw/zinc/34/18/10/336341810.db2.gz	PEQHOAPAXCDHMA-QGZVFWFLSA-N	1	0	301.409	3.542	10	30		DHEERO
Cc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1sccc1C#N	ZINC000120494999	336912893	/nfs/dbraw/zinc/91/28/93/336912893.db2.gz	FDCUNXLSMMNJBK-ZDUSSCGKSA-N	1	0	313.426	3.608	10	30		DHEERO
N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)n2c1	ZINC000122355938	337005097	/nfs/dbraw/zinc/00/50/97/337005097.db2.gz	RYCZCZFOAMAUCK-GOSISDBHSA-N	1	0	320.371	3.512	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1F	ZINC000192049723	337302239	/nfs/dbraw/zinc/30/22/39/337302239.db2.gz	FVRJEFKPWFHBGV-AZUAARDMSA-N	1	0	324.399	3.785	10	30		DHEERO
C=CC[NH2+]CCN[C@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000584614316	337372627	/nfs/dbraw/zinc/37/26/27/337372627.db2.gz	AZAZPLXOPVDTOD-GOSISDBHSA-N	1	0	300.833	3.795	10	30		DHEERO
Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1	ZINC000156508982	525995175	/nfs/dbraw/zinc/99/51/75/525995175.db2.gz	IRLRGGHVOTZGFU-MSOLQXFVSA-N	1	0	310.397	3.720	10	30		DHEERO
C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1	ZINC000036115577	563894212	/nfs/dbraw/zinc/89/42/12/563894212.db2.gz	BGOAXHWDDAKLQR-HXUWFJFHSA-N	1	0	311.425	3.634	10	30		DHEERO
C[C@H](NC(=O)[C@H](C)[N+](C)(C)C1CCCC1)c1ccc(Cl)cc1	ZINC000029415402	717119462	/nfs/dbraw/zinc/11/94/62/717119462.db2.gz	IIVWGVWDELHFNA-KBPBESRZSA-O	1	0	323.888	3.925	10	30		DHEERO
COc1ccc([C@@H]2C[C@H](C)[N@H+](CCCSCC#N)C2)cc1	ZINC000074991211	1030629091	/nfs/dbraw/zinc/62/90/91/1030629091.db2.gz	HYDKPCYXHHRPEN-GOEBONIOSA-N	1	0	304.459	3.520	10	30		DHEERO
CCCCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1ccccc1	ZINC000165158494	197671141	/nfs/dbraw/zinc/67/11/41/197671141.db2.gz	NINZYOQOXHMNBQ-HIXWQLQUSA-N	1	0	323.507	3.746	10	30		DHEERO
CCC[NH+]1CCC(C#N)(Nc2ccccc2Br)CC1	ZINC000037938402	182940398	/nfs/dbraw/zinc/94/03/98/182940398.db2.gz	HREIEGDXSGVRIP-UHFFFAOYSA-N	1	0	322.250	3.629	10	30		DHEERO
CCC[NH2+][C@@H](C)c1ccc(N(C)CCC#N)c(Br)c1	ZINC000061694396	184183484	/nfs/dbraw/zinc/18/34/84/184183484.db2.gz	DQTAQNCIGMGICY-LBPRGKRZSA-N	1	0	324.266	3.860	10	30		DHEERO
COC(=O)c1scc(-c2ccc(F)cc2)c1[NH+]=CN(C)C	ZINC000252475340	257258601	/nfs/dbraw/zinc/25/86/01/257258601.db2.gz	YQWRDAKBLUVDAP-UHFFFAOYSA-N	1	0	306.362	3.562	10	30		DHEERO
C=CCCCCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000195278835	335102911	/nfs/dbraw/zinc/10/29/11/335102911.db2.gz	MMEHUUVZSUMMRM-LJQANCHMSA-N	1	0	301.478	3.582	10	30		DHEERO
C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1	ZINC000181833270	333033525	/nfs/dbraw/zinc/03/35/25/333033525.db2.gz	BTEOMMGAZLLQHD-IAGOWNOFSA-N	1	0	324.424	3.845	10	30		DHEERO
CCCCCCCCC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C#N	ZINC000584629157	337376406	/nfs/dbraw/zinc/37/64/06/337376406.db2.gz	JCGZDDPYKFOEFD-BZSNNMDCSA-N	1	0	321.509	3.995	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)C1	ZINC000248900630	341389799	/nfs/dbraw/zinc/38/97/99/341389799.db2.gz	ULDBGMHKFWBHOX-AQNXPRMDSA-N	1	0	311.473	3.713	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1	ZINC000248900645	341389820	/nfs/dbraw/zinc/38/98/20/341389820.db2.gz	ULDBGMHKFWBHOX-VAMGGRTRSA-N	1	0	311.473	3.713	10	30		DHEERO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21	ZINC000245427653	526769734	/nfs/dbraw/zinc/76/97/34/526769734.db2.gz	WGGIEHZOHPCURR-DZGCQCFKSA-N	1	0	317.458	3.603	10	30		DHEERO
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1	ZINC000015457946	717112363	/nfs/dbraw/zinc/11/23/63/717112363.db2.gz	XYGNLUULBGRNMA-CYBMUJFWSA-O	1	0	309.861	3.994	10	30		DHEERO
Cc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1Cl	ZINC000029415039	717118883	/nfs/dbraw/zinc/11/88/83/717118883.db2.gz	AWWONTHLWQXAAW-ZDUSSCGKSA-O	1	0	309.861	3.994	10	30		DHEERO
CCSc1nc2c(c(-c3ccccc3)c1C#N)C[N@H+](C)CC2	ZINC000040570067	183103996	/nfs/dbraw/zinc/10/39/96/183103996.db2.gz	JYZLFDXFXMTTJD-UHFFFAOYSA-N	1	0	309.438	3.720	10	30		DHEERO
COc1cccc(C2(C#N)CC[NH+](Cc3ccccc3)CC2)c1	ZINC000059689495	184139873	/nfs/dbraw/zinc/13/98/73/184139873.db2.gz	IQXIRWZTNFKBLE-UHFFFAOYSA-N	1	0	306.409	3.753	10	30		DHEERO
N#C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2Br)C1	ZINC000061892012	184192918	/nfs/dbraw/zinc/19/29/18/184192918.db2.gz	GYLBBCZUUXGRKD-PIISCBOPSA-N	1	0	319.246	3.977	10	30		DHEERO
N#Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C(F)(F)F	ZINC000261754568	331963824	/nfs/dbraw/zinc/96/38/24/331963824.db2.gz	PGIQEPRKHVBDBY-INIZCTEOSA-N	1	0	323.362	3.545	10	30		DHEERO
CCc1csc([C@@H]2CCC[N@H+](CCCSCC#N)C2)n1	ZINC000173876769	333079269	/nfs/dbraw/zinc/07/92/69/333079269.db2.gz	SZDLSLKYYJTYJL-CYBMUJFWSA-N	1	0	309.504	3.532	10	30		DHEERO
N#CCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161174824	333372137	/nfs/dbraw/zinc/37/21/37/333372137.db2.gz	PRGIHDDQCOXMKJ-HUUCEWRRSA-N	1	0	312.335	3.507	10	30		DHEERO
Cc1cc(SCC[N@@H+](C)Cc2ccccc2)c(C#N)c(C)n1	ZINC000302827074	336370893	/nfs/dbraw/zinc/37/08/93/336370893.db2.gz	BARKFYNUJDPUOY-UHFFFAOYSA-N	1	0	311.454	3.794	10	30		DHEERO
N#CCCCOc1cccc(C[NH2+][C@H]2COc3ccccc32)c1	ZINC000105468201	336387679	/nfs/dbraw/zinc/38/76/79/336387679.db2.gz	RBTNFNIACBLSGS-SFHVURJKSA-N	1	0	308.381	3.592	10	30		DHEERO
CCCCCCCC[C@@H](CCO)OC(=O)OCCC[NH+](C)C	ZINC000584601124	337370780	/nfs/dbraw/zinc/37/07/80/337370780.db2.gz	ONWLVKMEMLYQKW-INIZCTEOSA-N	1	0	317.470	3.593	10	30		DHEERO
Clc1ccc2c(N=NCC[NH+]3CCCCC3)ccnc2c1	ZINC000584620950	337374804	/nfs/dbraw/zinc/37/48/04/337374804.db2.gz	WVVFPNJYDHBCPV-UFWORHAWSA-N	1	0	302.809	3.772	10	30		DHEERO
CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1	ZINC000249414032	341397395	/nfs/dbraw/zinc/39/73/95/341397395.db2.gz	YPBRYABSRKXRLI-CRAIPNDOSA-N	1	0	308.429	3.715	10	30		DHEERO
C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1cccc(C#N)n1	ZINC000072429127	563813976	/nfs/dbraw/zinc/81/39/76/563813976.db2.gz	MLNGHHFJHHMWJF-SCTDSRPQSA-N	1	0	323.440	3.565	10	30		DHEERO
C[N+](C)(CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCC1	ZINC000024155940	717113533	/nfs/dbraw/zinc/11/35/33/717113533.db2.gz	QWAOJSCNLGZVAO-UHFFFAOYSA-O	1	0	315.359	3.663	10	30		DHEERO
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1	ZINC000029415112	717118937	/nfs/dbraw/zinc/11/89/37/717118937.db2.gz	JFLASPVOCZVCFL-CYBMUJFWSA-O	1	0	309.861	3.994	10	30		DHEERO
c1ccc2c(c1)NC(=NC1CCCCCC1)C1(CC[NH2+]CC1)N2	ZINC000015862363	182022693	/nfs/dbraw/zinc/02/26/93/182022693.db2.gz	ATDFUIBTCCPQGA-UHFFFAOYSA-N	1	0	312.461	3.768	10	30		DHEERO
C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000182173307	333037261	/nfs/dbraw/zinc/03/72/61/333037261.db2.gz	MTNSPKMOZFONGT-IRXDYDNUSA-N	1	0	307.441	3.729	10	30		DHEERO
CC[N@@H+]1CCc2c(cccc2Nc2ccc(C#N)cc2[N+](=O)[O-])C1	ZINC000301673748	336322560	/nfs/dbraw/zinc/32/25/60/336322560.db2.gz	BAVICJBOGXEJAG-UHFFFAOYSA-N	1	0	322.368	3.588	10	30		DHEERO
CC[N@@H+]1CCC[C@@H]1CNc1cc(C#N)c2cc(Cl)ccc2n1	ZINC000301940568	336339088	/nfs/dbraw/zinc/33/90/88/336339088.db2.gz	ZOCUHIOIETZFMR-CQSZACIVSA-N	1	0	314.820	3.656	10	30		DHEERO
CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C1	ZINC000302285250	336356703	/nfs/dbraw/zinc/35/67/03/336356703.db2.gz	LKJVSELFALJFII-IAQYHMDHSA-N	1	0	311.351	3.718	10	30		DHEERO
N#Cc1ccc2ncc(C[NH2+][C@H]3CCCc4cc(F)ccc43)n2c1	ZINC000122355713	337005075	/nfs/dbraw/zinc/00/50/75/337005075.db2.gz	RYCZCZFOAMAUCK-SFHVURJKSA-N	1	0	320.371	3.512	10	30		DHEERO
N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3c3ccco3)o2)cc1	ZINC000173653179	337137110	/nfs/dbraw/zinc/13/71/10/337137110.db2.gz	BZBFAACSORABIT-OAHLLOKOSA-N	1	0	320.352	3.538	10	30		DHEERO
C=CCN1CCC([NH2+][C@@H](Cc2ccccc2OC)C(C)C)CC1	ZINC000177913303	337158893	/nfs/dbraw/zinc/15/88/93/337158893.db2.gz	WXXVIIMFYMDWTB-IBGZPJMESA-N	1	0	316.489	3.502	10	30		DHEERO
Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1	ZINC000181409968	337183990	/nfs/dbraw/zinc/18/39/90/337183990.db2.gz	KJDGXLDKQTXLDJ-MRXNPFEDSA-N	1	0	323.440	3.775	10	30		DHEERO
C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(-n2ccnc2)c1	ZINC000189890888	340540813	/nfs/dbraw/zinc/54/08/13/340540813.db2.gz	ZQYMSQJFDQJNPS-CQSZACIVSA-N	1	0	320.371	3.734	10	30		DHEERO
N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1	ZINC000248900638	341389854	/nfs/dbraw/zinc/38/98/54/341389854.db2.gz	ULDBGMHKFWBHOX-HSALFYBXSA-N	1	0	311.473	3.713	10	30		DHEERO
CSc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1	ZINC000029415407	717119335	/nfs/dbraw/zinc/11/93/35/717119335.db2.gz	ZYSOXECDHYGVQY-ZDUSSCGKSA-O	1	0	307.483	3.755	10	30		DHEERO
C[N+](C)(CC(=O)Nc1ccc(Cl)cc1Cl)C1CCCC1	ZINC000007760756	717106098	/nfs/dbraw/zinc/10/60/98/717106098.db2.gz	NIAUZDDBIFZIJG-UHFFFAOYSA-O	1	0	316.252	3.951	10	30		DHEERO
Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1	ZINC000015457945	717112217	/nfs/dbraw/zinc/11/22/17/717112217.db2.gz	XYGNLUULBGRNMA-ZDUSSCGKSA-O	1	0	309.861	3.994	10	30		DHEERO
N#Cc1ccc(/C=C/C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1	ZINC000089789680	1019352575	/nfs/dbraw/zinc/35/25/75/1019352575.db2.gz	BWNYLJGJIFGXIN-QLAYCGNHSA-N	1	0	318.420	3.939	10	30		DHEERO
C=C[C@H]1C[NH2+]CC[C@H]1CCCc1ccnc2ccc(OC)cc12	ZINC000001841490	180898935	/nfs/dbraw/zinc/89/89/35/180898935.db2.gz	XFXANHWIBFMEOY-JKSUJKDBSA-N	1	0	310.441	3.978	10	30	in-man	DHEERO
C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000191460621	334997174	/nfs/dbraw/zinc/99/71/74/334997174.db2.gz	HOSZKXCQASIIQJ-INIZCTEOSA-N	1	0	315.461	3.706	10	30		DHEERO
C=CCOc1ccc(C[NH2+]CCCOCCCC)cc1OCC	ZINC000013719819	181883228	/nfs/dbraw/zinc/88/32/28/181883228.db2.gz	UUVGBGZMQRZUGM-UHFFFAOYSA-N	1	0	321.461	3.947	10	30		DHEERO
Cc1ccc([C@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4[NH+]=C3C2)cc1	ZINC000017031809	182070127	/nfs/dbraw/zinc/07/01/27/182070127.db2.gz	CSMWHVVZRQKPJK-NJAFHUGGSA-N	1	0	308.425	3.681	10	30		DHEERO
C[NH2+][C@@H](C)c1ccc(N(CCC#N)C2CC2)c(Br)c1	ZINC000061697661	184183742	/nfs/dbraw/zinc/18/37/42/184183742.db2.gz	QCABLLBDEACHPB-NSHDSACASA-N	1	0	322.250	3.612	10	30		DHEERO
C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C)o1)[C@@H]2CC	ZINC000248054803	257109111	/nfs/dbraw/zinc/10/91/11/257109111.db2.gz	BTUJPDBTTIFKRH-IEBWSBKVSA-N	1	0	316.445	3.510	10	30		DHEERO
C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)c1ccsc1	ZINC000329815861	336085471	/nfs/dbraw/zinc/08/54/71/336085471.db2.gz	DQLGEHNXGMUCDG-UONOGXRCSA-N	1	0	323.462	3.597	10	30		DHEERO
C#CCCOc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1	ZINC000172112114	337089816	/nfs/dbraw/zinc/08/98/16/337089816.db2.gz	XLMXNTKWCIOCSN-LJQANCHMSA-N	1	0	307.393	3.702	10	30		DHEERO
Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccs2)c(C#N)c1C	ZINC000193217178	337309426	/nfs/dbraw/zinc/30/94/26/337309426.db2.gz	UMHOIDQJFYNSEX-MNOVXSKESA-N	1	0	317.414	3.507	10	30		DHEERO
CC(C)c1cccc(NC(=[NH2+])N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1	ZINC000262529651	337619052	/nfs/dbraw/zinc/61/90/52/337619052.db2.gz	PIBGKDLLMUWJDZ-IPMKNSEASA-N	1	0	305.425	3.875	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2Br	ZINC000300534020	340230546	/nfs/dbraw/zinc/23/05/46/340230546.db2.gz	ZLIRBZLPNROIBR-LKTVYLICSA-N	1	0	305.219	3.718	10	30		DHEERO
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C(C)(C)C#N	ZINC000245938170	341319023	/nfs/dbraw/zinc/31/90/23/341319023.db2.gz	AJBYZDGDDZTSNY-ROUUACIJSA-N	1	0	311.473	3.546	10	30		DHEERO
CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1	ZINC000249414036	341397464	/nfs/dbraw/zinc/39/74/64/341397464.db2.gz	YPBRYABSRKXRLI-QAPCUYQASA-N	1	0	308.429	3.715	10	30		DHEERO
C=CC[NH+](CC=C)Cc1cc(=O)oc2cc(C)c(Cl)cc12	ZINC000072141036	191049876	/nfs/dbraw/zinc/04/98/76/191049876.db2.gz	QHBCECAGWVXRIH-UHFFFAOYSA-N	1	0	303.789	3.929	10	30		DHEERO
CN(C)c1cc[n+]([C@@H](C(=O)c2ccccc2)c2ccccc2)cc1	ZINC000005342518	181231685	/nfs/dbraw/zinc/23/16/85/181231685.db2.gz	KHMJJAZLOIJDRT-HXUWFJFHSA-N	1	0	317.412	3.512	10	30		DHEERO
C/[NH+]=C1\c2c(-c3ccccc3)c3cc(OC)ccc3n2CCN1C	ZINC000101376076	193812236	/nfs/dbraw/zinc/81/22/36/193812236.db2.gz	ASODCVVTIYBPJW-QZQOTICOSA-N	1	0	319.408	3.639	10	30		DHEERO
C=C(Br)COc1c(C)cc(C[C@H]([NH3+])CC)cc1C	ZINC000037723387	182920584	/nfs/dbraw/zinc/92/05/84/182920584.db2.gz	USFTZKCHJHSNKE-CQSZACIVSA-N	1	0	312.251	3.871	10	30		DHEERO
CCOc1ccc2c(NN=Cc3ccncc3)cc(C)[nH+]c2c1	ZINC000038889689	183012159	/nfs/dbraw/zinc/01/21/59/183012159.db2.gz	QFKCAHLRTVJTKE-UDWIEESQSA-N	1	0	306.369	3.783	10	30		DHEERO
C[NH2+][C@H](C)c1ccc(N(CCC#N)C2CC2)c(Br)c1	ZINC000061697662	184183928	/nfs/dbraw/zinc/18/39/28/184183928.db2.gz	QCABLLBDEACHPB-LLVKDONJSA-N	1	0	322.250	3.612	10	30		DHEERO
CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C1	ZINC000302285256	336356689	/nfs/dbraw/zinc/35/66/89/336356689.db2.gz	LKJVSELFALJFII-XHDPSFHLSA-N	1	0	311.351	3.718	10	30		DHEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@@H]1C1CCCCC1	ZINC000262426147	337617552	/nfs/dbraw/zinc/61/75/52/337617552.db2.gz	RQWRPAVZWVHILY-NVXWUHKLSA-N	1	0	301.434	3.528	10	30		DHEERO
C=CC[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1	ZINC000020932868	518949799	/nfs/dbraw/zinc/94/97/99/518949799.db2.gz	FKUKUXFAQFLVBX-UHFFFAOYSA-N	1	0	314.223	3.522	10	30		DHEERO
C=CCOc1ccc(C[NH2+]CCCOCCCC)cc1OC	ZINC000013719816	563839430	/nfs/dbraw/zinc/83/94/30/563839430.db2.gz	LVVGBBFKEJZODL-UHFFFAOYSA-N	1	0	307.434	3.556	10	30		DHEERO
C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N+](C)(C)C1CCCC1	ZINC000015457899	717112249	/nfs/dbraw/zinc/11/22/49/717112249.db2.gz	UGKNCWGXYIFHBL-NSHDSACASA-O	1	0	313.824	3.825	10	30		DHEERO
C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[N+](C)(C)C1CCCC1	ZINC000015457897	717112360	/nfs/dbraw/zinc/11/23/60/717112360.db2.gz	DRPWECFJJFXLBB-NSHDSACASA-O	1	0	313.824	3.825	10	30		DHEERO
Cc1cc(C)c(NC(=O)C[N+](C)(C)C2CCCC2)c(Cl)c1	ZINC000029413831	717118349	/nfs/dbraw/zinc/11/83/49/717118349.db2.gz	QBXMJOYDVLEDHZ-UHFFFAOYSA-O	1	0	309.861	3.914	10	30		DHEERO
CCCCCCCCc1ccc(CO[C@@H]2C[NH2+][C@@H](CO)C2)cc1	ZINC000096938577	185393027	/nfs/dbraw/zinc/39/30/27/185393027.db2.gz	PZGMTDCHGJZERG-UXHICEINSA-N	1	0	319.489	3.829	10	30		DHEERO
N#C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1	ZINC000061891997	184193276	/nfs/dbraw/zinc/19/32/76/184193276.db2.gz	JLBWHMDFQASLKD-QTISTPMNSA-N	1	0	319.246	3.977	10	30		DHEERO
CC[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)CC#N)c(Br)c1	ZINC000063087079	184269651	/nfs/dbraw/zinc/26/96/51/184269651.db2.gz	NQTXKTWUFQUSJW-RYUDHWBXSA-N	1	0	324.266	3.858	10	30		DHEERO
C[N@@H+]1CC[C@@H](CNC(=O)C2=CCCCCC2)[C@@H]1c1cccnc1	ZINC000328641459	257263085	/nfs/dbraw/zinc/26/30/85/257263085.db2.gz	XWXGFAKCSPRJPZ-ROUUACIJSA-N	1	0	313.445	3.921	10	30		DHEERO
CC[C@@H]([NH2+]CCCCC#N)[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000188668166	333385163	/nfs/dbraw/zinc/38/51/63/333385163.db2.gz	GIBPNCCPXWFURE-HZPDHXFCSA-N	1	0	323.481	3.838	10	30		DHEERO
N#Cc1cc(F)c(N2CCC[C@H]([NH+]3CCCCCC3)C2)c(F)c1	ZINC000301989730	336341655	/nfs/dbraw/zinc/34/16/55/336341655.db2.gz	OTGKPAYRABPGPG-HNNXBMFYSA-N	1	0	319.399	3.681	10	30		DHEERO
CC(=O)c1ccc(C#N)c(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1	ZINC000302132333	336350032	/nfs/dbraw/zinc/35/00/32/336350032.db2.gz	YRKNOIBDFCJSQW-AUUYWEPGSA-N	1	0	313.445	3.683	10	30		DHEERO
C[NH+]=C(NCc1csc(-c2ccccc2)n1)N[C@@H](C)C(C)C	ZINC000103908772	336383177	/nfs/dbraw/zinc/38/31/77/336383177.db2.gz	PWCLQSRVJQCGKZ-ZDUSSCGKSA-N	1	0	316.474	3.520	10	30		DHEERO
CCc1csc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n1	ZINC000157040456	522117320	/nfs/dbraw/zinc/11/73/20/522117320.db2.gz	VHKPAWDOLISVTL-INIZCTEOSA-N	1	0	311.454	3.957	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)s1	ZINC000180241331	526611436	/nfs/dbraw/zinc/61/14/36/526611436.db2.gz	HPWNMQNELXFIQR-CRAIPNDOSA-N	1	0	312.438	3.708	10	30		DHEERO
Cc1cccc(C)c1NC(=O)C[N+](C)(C)CCc1ccccc1	ZINC000002033065	717093635	/nfs/dbraw/zinc/09/36/35/717093635.db2.gz	BGZPIBGRIJKNLY-UHFFFAOYSA-O	1	0	311.449	3.561	10	30		DHEERO
Cc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)c(Cl)c1	ZINC000029415122	717118817	/nfs/dbraw/zinc/11/88/17/717118817.db2.gz	RECIJGUMHPBJLB-CYBMUJFWSA-O	1	0	309.861	3.994	10	30		DHEERO
N#Cc1ccc(C[NH+]2CCC3(CNc4ccccc43)CC2)cc1	ZINC000095616887	185382632	/nfs/dbraw/zinc/38/26/32/185382632.db2.gz	AUCFDEOJVVSVPC-UHFFFAOYSA-N	1	0	303.409	3.518	10	30		DHEERO
COc1ccc([N+](C)=NC=C2N(C)c3ccccc3C2(C)C)cc1	ZINC000005456685	181245677	/nfs/dbraw/zinc/24/56/77/181245677.db2.gz	VRAOBFWNUBUCRN-UHFFFAOYSA-N	1	0	322.432	3.823	10	30		DHEERO
C=C(C)COc1c(Cl)cc(Cl)cc1C[NH2+]CCOC	ZINC000062733026	184251580	/nfs/dbraw/zinc/25/15/80/184251580.db2.gz	MOGNAQJYRAJKSN-UHFFFAOYSA-N	1	0	304.217	3.684	10	30		DHEERO
CC(C)[NH2+]Cc1ccc(OCCCC#N)c(Br)c1	ZINC000062701963	184248203	/nfs/dbraw/zinc/24/82/03/184248203.db2.gz	FPPPVFXLWLRTJS-UHFFFAOYSA-N	1	0	311.223	3.630	10	30		DHEERO
Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1	ZINC000121312910	332394894	/nfs/dbraw/zinc/39/48/94/332394894.db2.gz	XAYQXQQGTKWGQF-KRWDZBQOSA-N	1	0	321.424	3.593	10	30		DHEERO
N#CCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161174580	333372105	/nfs/dbraw/zinc/37/21/05/333372105.db2.gz	PRGIHDDQCOXMKJ-LSDHHAIUSA-N	1	0	312.335	3.507	10	30		DHEERO
N#C[C@@H]1CC[C@H]([NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)C1	ZINC000328749309	334751796	/nfs/dbraw/zinc/75/17/96/334751796.db2.gz	MIEIMHRLJFHVSN-QIIPPGSGSA-N	1	0	309.413	3.776	10	30		DHEERO
Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)c(C#N)c(C)n1	ZINC000301791076	336330014	/nfs/dbraw/zinc/33/00/14/336330014.db2.gz	QUXNKNSJRACUDF-HNNXBMFYSA-N	1	0	300.450	3.637	10	30		DHEERO
C=C(C)C[NH+]1CCC(Nc2ccnc3c(F)cc(F)cc23)CC1	ZINC000302530058	336361004	/nfs/dbraw/zinc/36/10/04/336361004.db2.gz	QAMRCDWPRMNJJG-UHFFFAOYSA-N	1	0	317.383	3.965	10	30		DHEERO
C#CCCOc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1	ZINC000172112119	337089824	/nfs/dbraw/zinc/08/98/24/337089824.db2.gz	XLMXNTKWCIOCSN-IBGZPJMESA-N	1	0	307.393	3.702	10	30		DHEERO
Cc1ccc(C(=O)ON=C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000000262174	563413526	/nfs/dbraw/zinc/41/35/26/563413526.db2.gz	PWZABEALFZGBFA-UHFFFAOYSA-N	1	0	322.408	3.804	10	30		DHEERO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21	ZINC000074022742	1018906132	/nfs/dbraw/zinc/90/61/32/1018906132.db2.gz	ODTSYAVYIRMXHK-QAPCUYQASA-N	1	0	311.429	3.541	10	30		DHEERO
C=C[C@H](CC(=O)N1CCC[C@@H]1Cn1ccnc1C)c1ccccc1	ZINC000120742935	334334124	/nfs/dbraw/zinc/33/41/24/334334124.db2.gz	QCZOIQZSBFUHDI-IEBWSBKVSA-N	1	0	323.440	3.542	10	30		DHEERO
C=CCN1CCC([NH2+][C@H](Cc2ccccc2OC)C(C)C)CC1	ZINC000177913289	337158938	/nfs/dbraw/zinc/15/89/38/337158938.db2.gz	WXXVIIMFYMDWTB-LJQANCHMSA-N	1	0	316.489	3.502	10	30		DHEERO
CC[NH+](CC)CC#CCNc1ccnc2cc(Cl)ccc21	ZINC000584624418	337375336	/nfs/dbraw/zinc/37/53/36/337375336.db2.gz	FXFZQWXJXDXZGX-UHFFFAOYSA-N	1	0	301.821	3.645	10	30		DHEERO
C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000235489262	340660190	/nfs/dbraw/zinc/66/01/90/340660190.db2.gz	QOSMSRVKGKWZHV-UXIGCNINSA-N	1	0	307.235	3.662	10	30		DHEERO
C[C@H]1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21	ZINC000132358127	341121171	/nfs/dbraw/zinc/12/11/71/341121171.db2.gz	AQAAKRBYXJFINJ-LIRRHRJNSA-N	1	0	316.408	3.934	10	30		DHEERO
C[C@@H]1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21	ZINC000132357912	341121240	/nfs/dbraw/zinc/12/12/40/341121240.db2.gz	AQAAKRBYXJFINJ-KUHUBIRLSA-N	1	0	316.408	3.934	10	30		DHEERO
C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1	ZINC000036102492	518718400	/nfs/dbraw/zinc/71/84/00/518718400.db2.gz	QHPNPLUAMVZTPV-QGZVFWFLSA-N	1	0	303.377	3.748	10	30		DHEERO
C[S+](C)CCOC(=O)[C@H](c1ccccc1)C1CCCCC1	ZINC000005377707	525360220	/nfs/dbraw/zinc/36/02/20/525360220.db2.gz	NRZPIZQZOQMVFZ-QGZVFWFLSA-N	1	0	307.479	3.772	10	30	in-man	DHEERO
N#CCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161174458	333371787	/nfs/dbraw/zinc/37/17/87/333371787.db2.gz	PRGIHDDQCOXMKJ-GJZGRUSLSA-N	1	0	312.335	3.507	10	30		DHEERO
CC[N@@H+]1CCc2c(cccc2Nc2ccc(Cl)c(C#N)n2)C1	ZINC000301689867	336323635	/nfs/dbraw/zinc/32/36/35/336323635.db2.gz	JUBNGXAFUFMQMW-UHFFFAOYSA-N	1	0	312.804	3.728	10	30		DHEERO
CC[NH+](CC)CCNc1cc(C#N)c2cc(Cl)ccc2n1	ZINC000301742145	336326903	/nfs/dbraw/zinc/32/69/03/336326903.db2.gz	YLSWYUIBMDUTRY-UHFFFAOYSA-N	1	0	302.809	3.514	10	30		DHEERO
CC(C)[N@H+]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)[C@@H](C)C1	ZINC000302285253	336356691	/nfs/dbraw/zinc/35/66/91/336356691.db2.gz	LKJVSELFALJFII-NHYWBVRUSA-N	1	0	311.351	3.718	10	30		DHEERO
[NH2+]=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC1CCCCC1	ZINC000262371871	337617831	/nfs/dbraw/zinc/61/78/31/337617831.db2.gz	FOJPDPKWEDAULX-AAEUAGOBSA-N	1	0	305.388	3.592	10	30		DHEERO
C[C@@H](NC(=[NH2+])N[C@H]1C[C@@H]1C(F)F)c1ccc(Cl)cc1Cl	ZINC000263189158	337625255	/nfs/dbraw/zinc/62/52/55/337625255.db2.gz	XQLZEUCZLNHBDD-PUMQYWBSSA-N	1	0	322.186	3.612	10	30		DHEERO
N#C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1	ZINC000061891971	340746858	/nfs/dbraw/zinc/74/68/58/340746858.db2.gz	WUMFKQYTWIRJJB-XCAIRMDXSA-N	1	0	319.246	3.977	10	30		DHEERO
N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)s1	ZINC000180241294	526613362	/nfs/dbraw/zinc/61/33/62/526613362.db2.gz	HPWNMQNELXFIQR-MAUKXSAKSA-N	1	0	312.438	3.708	10	30		DHEERO
COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCSCC#N)C2)cc1	ZINC000074991210	1030627233	/nfs/dbraw/zinc/62/72/33/1030627233.db2.gz	HYDKPCYXHHRPEN-GDBMZVCRSA-N	1	0	304.459	3.520	10	30		DHEERO
COc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OC	ZINC000180845752	333028772	/nfs/dbraw/zinc/02/87/72/333028772.db2.gz	JIDFRDHLBBVLMQ-LBPRGKRZSA-N	1	0	314.360	3.565	10	30		DHEERO
N#CCCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161174700	333372113	/nfs/dbraw/zinc/37/21/13/333372113.db2.gz	PRGIHDDQCOXMKJ-CABCVRRESA-N	1	0	312.335	3.507	10	30		DHEERO
N#Cc1nc(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)ccc1Cl	ZINC000301172250	336293246	/nfs/dbraw/zinc/29/32/46/336293246.db2.gz	GVHXROKRSFUAMB-CYBMUJFWSA-N	1	0	318.852	3.816	10	30		DHEERO
CCC[N@@H+]1CCCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1	ZINC000301395271	336304205	/nfs/dbraw/zinc/30/42/05/336304205.db2.gz	LHIBYWZKRWCWAQ-UHFFFAOYSA-N	1	0	322.456	3.645	10	30		DHEERO
Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)c(C#N)c(C)n1	ZINC000301791077	336330043	/nfs/dbraw/zinc/33/00/43/336330043.db2.gz	QUXNKNSJRACUDF-OAHLLOKOSA-N	1	0	300.450	3.637	10	30		DHEERO
C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1	ZINC000178273782	337161355	/nfs/dbraw/zinc/16/13/55/337161355.db2.gz	YTWYJZRPAHQIDI-BEFAXECRSA-N	1	0	307.393	3.873	10	30		DHEERO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc(C#N)c1	ZINC000189877828	337282611	/nfs/dbraw/zinc/28/26/11/337282611.db2.gz	AHYUXTQPQJAEQO-KSSFIOAISA-N	1	0	308.429	3.807	10	30		DHEERO
c1ccc(NC(=[NH+][C@@H]2C[C@@H]3OCCC[C@@H]23)N2CCCCC2)cc1	ZINC000262791376	337621235	/nfs/dbraw/zinc/62/12/35/337621235.db2.gz	KVSGHXASKKVJSK-KSZLIROESA-N	1	0	313.445	3.508	10	30		DHEERO
C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H]1C#N	ZINC000300423273	340225783	/nfs/dbraw/zinc/22/57/83/340225783.db2.gz	QOSMSRVKGKWZHV-ZLDLUXBVSA-N	1	0	307.235	3.662	10	30		DHEERO
C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21	ZINC000132358311	341121227	/nfs/dbraw/zinc/12/12/27/341121227.db2.gz	AQAAKRBYXJFINJ-AUUYWEPGSA-N	1	0	316.408	3.934	10	30		DHEERO
C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(-n2ccnc2)c1	ZINC000177707871	341924597	/nfs/dbraw/zinc/92/45/97/341924597.db2.gz	RCVTVWYFHYVMII-CYBMUJFWSA-N	1	0	308.410	3.656	10	30		DHEERO
Cc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)c(Cl)c1	ZINC000029415119	717118779	/nfs/dbraw/zinc/11/87/79/717118779.db2.gz	RECIJGUMHPBJLB-ZDUSSCGKSA-O	1	0	309.861	3.994	10	30		DHEERO
COc1cc2[nH+]ccc(Nc3ccc(C#N)cc3)c2cc1OC	ZINC000065005296	184308681	/nfs/dbraw/zinc/30/86/81/184308681.db2.gz	DBDDCENEKKBPLV-UHFFFAOYSA-N	1	0	305.337	3.867	10	30		DHEERO
N#CCCCOc1cccc(C[NH2+][C@H]2CCOc3ccccc32)c1	ZINC000237826224	332392844	/nfs/dbraw/zinc/39/28/44/332392844.db2.gz	OVQSPILAFKWJGC-IBGZPJMESA-N	1	0	322.408	3.983	10	30		DHEERO
Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)c(C#N)c(C)n1	ZINC000301651753	336320905	/nfs/dbraw/zinc/32/09/05/336320905.db2.gz	GLBQTZASABLIBB-UHFFFAOYSA-N	1	0	308.429	3.504	10	30		DHEERO
Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C#N)c(C)n1	ZINC000301769565	336328696	/nfs/dbraw/zinc/32/86/96/336328696.db2.gz	IPTIVNOBZJXOIE-FQEVSTJZSA-N	1	0	320.440	3.819	10	30		DHEERO
N#Cc1cc(F)c(N2CCC[C@@H]([NH+]3CCCCCC3)C2)c(F)c1	ZINC000301989735	336341713	/nfs/dbraw/zinc/34/17/13/336341713.db2.gz	OTGKPAYRABPGPG-OAHLLOKOSA-N	1	0	319.399	3.681	10	30		DHEERO
N#Cc1ccc(-c2nnc(CN3CCC[C@H]3c3ccco3)o2)cc1	ZINC000173653165	337137119	/nfs/dbraw/zinc/13/71/19/337137119.db2.gz	BZBFAACSORABIT-HNNXBMFYSA-N	1	0	320.352	3.538	10	30		DHEERO
N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1	ZINC000250221387	340612547	/nfs/dbraw/zinc/61/25/47/340612547.db2.gz	SPNWWLWDCCPMOO-CWRNSKLLSA-N	1	0	319.246	3.588	10	30		DHEERO
C=CC[N@H+](Cc1ccc(C)s1)Cc1c(O)cccc1OC	ZINC000067561356	518778777	/nfs/dbraw/zinc/77/87/77/518778777.db2.gz	GQDJZGXIYMZFRN-UHFFFAOYSA-N	1	0	303.427	3.959	10	30		DHEERO
CCc1csc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n1	ZINC000157045985	522118092	/nfs/dbraw/zinc/11/80/92/522118092.db2.gz	AOSCSPJPXGANIO-INIZCTEOSA-N	1	0	311.454	3.957	10	30		DHEERO