smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C[n+]2ccc(/C=N/O)cc2)on1	ZINC000045255347	178059352	/nfs/dbraw/zinc/05/93/52/178059352.db2.gz	RZIGZBMEAHULNE-UHFFFAOYSA-O	1	0	218.236	1.127	1	30		BDEFRO
Cc1ccc(-n2cnc(C(=[NH2+])C#N)c2N)cc1	ZINC000005504066	178347720	/nfs/dbraw/zinc/34/77/20/178347720.db2.gz	TYZNVRLNICTQCG-UHFFFAOYSA-N	1	0	225.255	1.654	1	30		BDEFRO
Cc1ccc(C=NNC(N)=[NH2+])c2ccccc12	ZINC000095598645	178357872	/nfs/dbraw/zinc/35/78/72/178357872.db2.gz	RIGHXRZXELDLPK-LZYBPNLTSA-N	1	0	226.283	1.965	1	30		BDEFRO
CC(=O)N1CCCCC[C@@H]1C#CC[NH+]1CCCC1	ZINC000026938827	187207589	/nfs/dbraw/zinc/20/75/89/187207589.db2.gz	WULCBOSTMCYKCZ-OAHLLOKOSA-N	1	0	248.370	1.877	1	30		BDEFRO
CC1([C@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCC1	ZINC000026576208	187255244	/nfs/dbraw/zinc/25/52/44/187255244.db2.gz	NBDXZVDMVHEUKD-CHWFTXMASA-N	1	0	233.315	1.017	1	30		BDEFRO
C#CCOC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)[N+]1(C)C	ZINC000103040991	187363993	/nfs/dbraw/zinc/36/39/93/187363993.db2.gz	KOUZHGJGXFNSMI-DABQJJPHSA-N	1	0	249.334	1.510	1	30		BDEFRO
NC(=[NH2+])c1ccc2cccc(C(=O)NO)c2c1	ZINC000043070769	181195020	/nfs/dbraw/zinc/19/50/20/181195020.db2.gz	HATZQYOPSMRZJJ-UHFFFAOYSA-N	1	0	229.239	1.243	1	30		BDEFRO
C#CCN(C)C(=O)[C@@]1(c2ccsc2)C[C@H]1C[NH3+]	ZINC000029042747	166156657	/nfs/dbraw/zinc/15/66/57/166156657.db2.gz	BIHDNMFWZMAKEI-WCQYABFASA-N	1	0	248.351	1.056	1	30		BDEFRO
CC/C(C)=N\OC[C@@H](O)C[NH2+]C(C)C	ZINC000027706549	167826333	/nfs/dbraw/zinc/82/63/33/167826333.db2.gz	COGLDMCSUOOKEU-JMZICWNOSA-N	1	0	202.298	1.148	1	30		BDEFRO
CC1([C@@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCC1	ZINC000026576209	168071878	/nfs/dbraw/zinc/07/18/78/168071878.db2.gz	NBDXZVDMVHEUKD-RCWTZXSCSA-N	1	0	233.315	1.017	1	30		BDEFRO
CC1([C@@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCCC1	ZINC000026576935	168071966	/nfs/dbraw/zinc/07/19/66/168071966.db2.gz	ILKDJTUPKUDSIV-RHYQMDGZSA-N	1	0	247.342	1.407	1	30		BDEFRO
CCOC(=O)N(C)[C@H](C)C#CC[NH+]1CCCC1	ZINC000013823343	170237649	/nfs/dbraw/zinc/23/76/49/170237649.db2.gz	IXYXTXXZOXRCQY-GFCCVEGCSA-N	1	0	238.331	1.562	1	30		BDEFRO
C[NH+]1CCN(c2[nH]c3cccnc3c2C#N)CC1	ZINC000013490332	173094509	/nfs/dbraw/zinc/09/45/09/173094509.db2.gz	KQSUSHXEDWJKGU-UHFFFAOYSA-N	1	0	241.298	1.186	1	30		BDEFRO
Cc1ccc(C(=O)C[n+]2ccn(C)c2)c(C)c1	ZINC000026378502	187255278	/nfs/dbraw/zinc/25/52/78/187255278.db2.gz	LNWRQTHILORVSD-UHFFFAOYSA-N	1	0	229.303	1.812	1	30		BDEFRO
C=CC#C[C@@]1(O)C[C@H](C)[N+](C)(C)C[C@H]1C	ZINC000003656463	187255347	/nfs/dbraw/zinc/25/53/47/187255347.db2.gz	AZFNTQRIGXUFRT-FRRDWIJNSA-N	1	0	208.325	1.412	1	30		BDEFRO
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C1CCCC1	ZINC000026576886	181070726	/nfs/dbraw/zinc/07/07/26/181070726.db2.gz	YXAYKXKMMGMPEY-WYUUTHIRSA-N	1	0	233.315	1.017	1	30		BDEFRO
C#[N+][C@@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000084669145	166226209	/nfs/dbraw/zinc/22/62/09/166226209.db2.gz	DRZNGLNSNRRRIZ-GFCCVEGCSA-N	1	0	231.275	1.549	1	30		BDEFRO
C/[NH+]=C(/SCCc1c[nH]cn1)N(C)C	ZINC000028239916	187255631	/nfs/dbraw/zinc/25/56/31/187255631.db2.gz	OESRISPUBKZEHG-MDZDMXLPSA-N	1	0	212.322	1.233	1	30		BDEFRO
C=C(c1ccccc1)[C@H]1OC[C@@H]([NH3+])CO1	ZINC000101103640	188051749	/nfs/dbraw/zinc/05/17/49/188051749.db2.gz	PMIOQLXBGJWLBZ-HAQNSBGRSA-N	1	0	205.257	1.400	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+]C1CCCC1	ZINC000013522840	181058863	/nfs/dbraw/zinc/05/88/63/181058863.db2.gz	QQNHTINEHANVJY-NSHDSACASA-N	1	0	221.304	1.033	1	30		BDEFRO
N#C[C@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCCCC1	ZINC000040834809	181069095	/nfs/dbraw/zinc/06/90/95/181069095.db2.gz	SXNUNNAPZNTPQV-NEPJUHHUSA-N	1	0	235.331	1.409	1	30		BDEFRO
N/C(NCCc1cccc2ccccc21)=[NH+]\O	ZINC000096908104	181181001	/nfs/dbraw/zinc/18/10/01/181181001.db2.gz	JIKIBIVOCYVSQL-UHFFFAOYSA-N	1	0	229.283	1.676	1	30		BDEFRO
CC(C)(C)[NH2+]C[C@@H](O)CO/N=C\C1CC1	ZINC000028756457	166633771	/nfs/dbraw/zinc/63/37/71/166633771.db2.gz	VOHIPQMYFVAQPS-YRVKEHPISA-N	1	0	214.309	1.148	1	30		BDEFRO
C#C[C@@]1(O)C[C@H](C)[NH2+]C[C@]1(C)CCC#N	ZINC000004340200	166214089	/nfs/dbraw/zinc/21/40/89/166214089.db2.gz	GLAUMXWUXMHJQQ-SDDRHHMPSA-N	1	0	206.289	1.043	1	30		BDEFRO
CC[C@H](C)[C@H]([NH3+])C(=O)N1CSCC[C@@H]1C#N	ZINC000026664565	171394808	/nfs/dbraw/zinc/39/48/08/171394808.db2.gz	NMZWRTSAOXUWBU-AEJSXWLSSA-N	1	0	241.360	1.175	1	30		BDEFRO
C[N@@H+]1CCCC[C@@H]1CC#CCN1CCCC1=O	ZINC000029331503	173004557	/nfs/dbraw/zinc/00/45/57/173004557.db2.gz	QFYLZRHSADPAHY-CYBMUJFWSA-N	1	0	234.343	1.487	1	30		BDEFRO
COc1ccc(/[NH+]=C2\CCCN2CC(N)=O)cc1	ZINC000100305510	175049448	/nfs/dbraw/zinc/04/94/48/175049448.db2.gz	SZJLBGJDIHWDDB-FYWRMAATSA-N	1	0	247.298	1.306	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+]C1CCCCC1	ZINC000013522796	181058607	/nfs/dbraw/zinc/05/86/07/181058607.db2.gz	DMPIHMDCKUNNAH-LBPRGKRZSA-N	1	0	235.331	1.423	1	30		BDEFRO
c1nnnn1-c1ccc(NC2=[NH+]CCC2)cc1	ZINC000013778472	183334648	/nfs/dbraw/zinc/33/46/48/183334648.db2.gz	RTAUIYXSQYBDHY-UHFFFAOYSA-N	1	0	228.259	1.076	3	30		BDEFRO
CC(=O)N1CCCCC[C@@H]1C#CC[N+](C)(C)C	ZINC000026851423	717114194	/nfs/dbraw/zinc/11/41/94/717114194.db2.gz	BDPRKURSFHIECR-CQSZACIVSA-N	1	0	237.367	1.487	1	30		BDEFRO
C=CC[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@H]2C#N)C1	ZINC000028714230	187255844	/nfs/dbraw/zinc/25/58/44/187255844.db2.gz	LEUYPJDURDVUOX-SRVKXCTJSA-N	1	0	233.315	1.055	1	30		BDEFRO
N/C(=[NH+]\O)N1Cc2cccc3cccc(c32)C1	ZINC000027765136	181180931	/nfs/dbraw/zinc/18/09/31/181180931.db2.gz	QHZZHVUHTFFNTO-UHFFFAOYSA-N	1	0	227.267	1.859	1	30		BDEFRO
O=C(C[n+]1ccccn1)c1ccc(F)cc1	ZINC000040833911	182033289	/nfs/dbraw/zinc/03/32/89/182033289.db2.gz	WORNJUQJCZWKKE-UHFFFAOYSA-N	1	0	217.223	1.391	1	30		BDEFRO
C#CC[C@@H]1Cc2c(O)c(O)ccc2[C@H](C[NH3+])O1	ZINC000013823822	166205925	/nfs/dbraw/zinc/20/59/25/166205925.db2.gz	LWUHQVZWIKZZFZ-PELKAZGASA-N	1	0	233.267	1.062	1	30		BDEFRO
C=CCC[C@@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C	ZINC000066074317	166297220	/nfs/dbraw/zinc/29/72/20/166297220.db2.gz	IDJOXOCYWHWEQT-ZIAGYGMSSA-N	1	0	235.327	1.850	1	30		BDEFRO
CC(C)[NH2+][C@@H](C)[C@@H](O)COc1ccccc1C#N	ZINC000028768496	167132555	/nfs/dbraw/zinc/13/25/55/167132555.db2.gz	PEKQOLFZURMVFB-AAEUAGOBSA-N	1	0	248.326	1.684	1	30		BDEFRO
Cc1ccccc1C(=O)C[n+]1ccn(C)c1	ZINC000026382041	179246016	/nfs/dbraw/zinc/24/60/16/179246016.db2.gz	VOTPKCGBMMJXOB-UHFFFAOYSA-N	1	0	215.276	1.504	1	30		BDEFRO
N#C[C@H]1CC=NN1C(=O)C[NH2+]C1CCCCC1	ZINC000028377031	181067512	/nfs/dbraw/zinc/06/75/12/181067512.db2.gz	UKNOPRISSXWHAU-LLVKDONJSA-N	1	0	234.303	1.019	1	30		BDEFRO
N#C[C@H]1CCCN1C(=O)[C@H]([NH3+])C1CCCCC1	ZINC000040834811	181068861	/nfs/dbraw/zinc/06/88/61/181068861.db2.gz	SXNUNNAPZNTPQV-VXGBXAGGSA-N	1	0	235.331	1.409	1	30		BDEFRO
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C1CCCCC1	ZINC000026577928	181070915	/nfs/dbraw/zinc/07/09/15/181070915.db2.gz	AUZKIXDVTSZLDZ-NDBYEHHHSA-N	1	0	247.342	1.407	1	30		BDEFRO
NC(=[NH2+])NN=CC(=O)Nc1ccc(Cl)cc1	ZINC000095616681	181187578	/nfs/dbraw/zinc/18/75/78/181187578.db2.gz	BIHJZKVZHYGANN-WLRTZDKTSA-N	1	0	239.666	1.397	1	30		BDEFRO
N#Cc1ccc2ccoc2c1N1CC[NH2+]CC1	ZINC000013741480	132322404	/nfs/dbraw/zinc/32/24/04/132322404.db2.gz	KCCAOGJTUVSJOJ-UHFFFAOYSA-N	1	0	227.267	1.714	1	30		BDEFRO
C#CC[NH2+]CCc1cccc(OC(=O)N(C)C)c1	ZINC000013492328	166187963	/nfs/dbraw/zinc/18/79/63/166187963.db2.gz	HYXHQZASJISSQN-UHFFFAOYSA-N	1	0	246.310	1.512	1	30		BDEFRO
CC1=C[C@@H](C)[C@@H](CN=NC(N)=[NH2+])[C@@H](C)C1	ZINC000169328304	168124918	/nfs/dbraw/zinc/12/49/18/168124918.db2.gz	ZAIQQVUSAHLLDH-DUHSQCTFSA-N	1	0	208.309	1.484	1	30		BDEFRO
CC1=C[C@H](C)[C@H](CN=NC(N)=[NH2+])[C@H](C)C1	ZINC000033927670	168131914	/nfs/dbraw/zinc/13/19/14/168131914.db2.gz	ZAIQQVUSAHLLDH-HXIGLMLUSA-N	1	0	208.309	1.484	1	30		BDEFRO
CCC(C)(C)[NH2+]CC(=O)N1CCC[C@H]1C#N	ZINC000013522908	168297456	/nfs/dbraw/zinc/29/74/56/168297456.db2.gz	DXLCUOPSMUWYFG-JTQLQIEISA-N	1	0	223.320	1.279	1	30		BDEFRO
CCC(C)(C)[C@@H]([NH3+])C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N	ZINC000058655290	168304155	/nfs/dbraw/zinc/30/41/55/168304155.db2.gz	APAZYVZBHAXPLE-ZDCRXTMVSA-N	1	0	235.331	1.263	1	30		BDEFRO
CC[C@H](C)[C@H]([NH3+])C(=O)N1CSCC[C@H]1C#N	ZINC000026664574	171394139	/nfs/dbraw/zinc/39/41/39/171394139.db2.gz	NMZWRTSAOXUWBU-GUBZILKMSA-N	1	0	241.360	1.175	1	30		BDEFRO
CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@]1(C)C#N	ZINC000026664584	171394597	/nfs/dbraw/zinc/39/45/97/171394597.db2.gz	FPVLYHRLWKMPCD-NHCYSSNCSA-N	1	0	223.320	1.264	1	30		BDEFRO
C[N@@H+]1CCC[C@@H]1CC#CCN1CCCC1=O	ZINC000029330758	173029223	/nfs/dbraw/zinc/02/92/23/173029223.db2.gz	FBTVOQXINZWZAL-LBPRGKRZSA-N	1	0	220.316	1.097	1	30		BDEFRO
C[C@H]1CCc2ccccc2C1=NNC(N)=[NH2+]	ZINC000029224529	177209965	/nfs/dbraw/zinc/20/99/65/177209965.db2.gz	DZRRZZJXFFZTBW-NIYMHHKZSA-N	1	0	216.288	1.246	1	30		BDEFRO
CC1([C@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCCC1	ZINC000026576934	187255265	/nfs/dbraw/zinc/25/52/65/187255265.db2.gz	ILKDJTUPKUDSIV-WISYIIOYSA-N	1	0	247.342	1.407	1	30		BDEFRO
N#Cc1cncc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)c1	ZINC000095576355	187288296	/nfs/dbraw/zinc/28/82/96/187288296.db2.gz	DEXLAAAKAUMETM-MNOVXSKESA-N	1	0	225.295	1.966	1	30		BDEFRO
CC(C)[NH2+]C[C@@H](O)CON=C1CCCCC1	ZINC000029343164	167111046	/nfs/dbraw/zinc/11/10/46/167111046.db2.gz	BYBBWQCRWPDTSQ-GFCCVEGCSA-N	1	0	228.336	1.682	1	30		BDEFRO
CC(C)[NH2+]C[C@H](O)CO/N=C/c1ccccc1	ZINC000038868637	167114468	/nfs/dbraw/zinc/11/44/68/167114468.db2.gz	WNESNTPIJYLZOA-LIOBOASVSA-N	1	0	236.315	1.396	1	30		BDEFRO
CCOC(=N)NC(=[NH2+])Nc1ccc(Cl)cc1	ZINC000005807828	170179110	/nfs/dbraw/zinc/17/91/10/170179110.db2.gz	QTAUDTFSFYDODX-UHFFFAOYSA-N	1	0	240.694	1.637	1	30		BDEFRO
COc1ccc(C[n+]2cccc(/C=N/O)c2)cc1	ZINC000045253614	175117945	/nfs/dbraw/zinc/11/79/45/175117945.db2.gz	XGZKPYKXSYDBQW-OQLLNIDSSA-O	1	0	243.286	1.839	1	30		BDEFRO
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H]([NH3+])C1CCCCC1	ZINC000026577929	181070733	/nfs/dbraw/zinc/07/07/33/181070733.db2.gz	AUZKIXDVTSZLDZ-FVCCEPFGSA-N	1	0	247.342	1.407	1	30		BDEFRO
CC[n+]1cnc2c(C#N)c(OC)nc(C)c2c1C	ZINC000072124566	183317037	/nfs/dbraw/zinc/31/70/37/183317037.db2.gz	FBMKBQKEMYIDKH-UHFFFAOYSA-N	1	0	242.282	1.308	1	30		BDEFRO
C=CC[N@@H+]1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21	ZINC000027554507	166354494	/nfs/dbraw/zinc/35/44/94/166354494.db2.gz	OICIDIZTEFPXQY-ZWNOBZJWSA-N	1	0	217.316	1.775	1	30		BDEFRO
C=CCN1CC[N+]2(CC1)C[C@H](C)O[C@@H](C)C2	ZINC000028961899	166358486	/nfs/dbraw/zinc/35/84/86/166358486.db2.gz	PUCGUMLSHPNNRL-STQMWFEESA-N	1	0	225.356	1.112	1	30		BDEFRO
CC1([C@@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCC1	ZINC000026576207	168071897	/nfs/dbraw/zinc/07/18/97/168071897.db2.gz	NBDXZVDMVHEUKD-ZNSHCXBVSA-N	1	0	233.315	1.017	1	30		BDEFRO
CC1=C[C@@H](C)[C@H](CN=NC(N)=[NH2+])[C@H](C)C1	ZINC000013810191	168125123	/nfs/dbraw/zinc/12/51/23/168125123.db2.gz	ZAIQQVUSAHLLDH-QRTNXLMBSA-N	1	0	208.309	1.484	1	30		BDEFRO
C[N@@H+]1CCCC[C@H]1CC#CCN1CCCC1=O	ZINC000029331509	173007397	/nfs/dbraw/zinc/00/73/97/173007397.db2.gz	QFYLZRHSADPAHY-ZDUSSCGKSA-N	1	0	234.343	1.487	1	30		BDEFRO
C[N+]1(C)CCN(C2=CC(=O)CCC2)CC1	ZINC000013470080	717107731	/nfs/dbraw/zinc/10/77/31/717107731.db2.gz	IMDHNAHBFKYIMT-UHFFFAOYSA-N	1	0	209.313	1.015	1	30		BDEFRO
CC(=O)N1CCCCC[C@H]1C#CC[NH+]1CCCC1	ZINC000026938833	187372101	/nfs/dbraw/zinc/37/21/01/187372101.db2.gz	WULCBOSTMCYKCZ-HNNXBMFYSA-N	1	0	248.370	1.877	1	30		BDEFRO
C#C[C@H](C)ON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780848	166218566	/nfs/dbraw/zinc/21/85/66/166218566.db2.gz	YKHUDEZNZSKVOC-ZMLRMANQSA-N	1	0	206.289	1.637	1	30		BDEFRO
C=CCN1c2ccccc2C[C@@H]1C1=[NH+]CCN1	ZINC000029339878	166361375	/nfs/dbraw/zinc/36/13/75/166361375.db2.gz	HONDEXWPXYFMFB-CYBMUJFWSA-N	1	0	227.311	1.605	1	30		BDEFRO
CCC(C)(C)[NH2+]CC(=O)N1[C@@H](C#N)CC[C@H]1C#N	ZINC000013687438	168298206	/nfs/dbraw/zinc/29/82/06/168298206.db2.gz	ZRWDNYUDHYWVBZ-PHIMTYICSA-N	1	0	248.330	1.171	1	30		BDEFRO
CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)[NH2+]1	ZINC000014947497	171028628	/nfs/dbraw/zinc/02/86/28/171028628.db2.gz	PZEFTXJEGXUMRS-VWYCJHECSA-N	1	0	221.304	1.032	1	30		BDEFRO
NC(=O)CCCC[C@H](S)CCSC[NH3+]	ZINC000012496810	571695388	/nfs/dbraw/zinc/69/53/88/571695388.db2.gz	KALYVIJGKPJBQV-QMMMGPOBSA-N	1	0	236.406	1.370	1	30	endogenous,in-man	BDEFRO
Cc1cccc(C)c1C=NNC1=[NH+]CCN1	ZINC000029223364	179029462	/nfs/dbraw/zinc/02/94/62/179029462.db2.gz	BFVAQVHVPJOERQ-OVCLIPMQSA-N	1	0	216.288	1.186	1	30		BDEFRO
C=CC[n+]1cc(C=NO)n(C)c1SC	ZINC000103021216	188150214	/nfs/dbraw/zinc/15/02/14/188150214.db2.gz	LWAMFNPIIMVHNO-POHAHGRESA-O	1	0	212.298	1.029	1	30		BDEFRO
N#Cc1ccc(C[N+]2=CN3CCCC[C@H]3C2)cc1	ZINC000072120611	181111027	/nfs/dbraw/zinc/11/10/27/181111027.db2.gz	YWWNSFXZKDVAKZ-HNNXBMFYSA-N	1	0	240.330	1.967	1	30		BDEFRO
CN1c2cc([N+](=O)[O-])ccc2[N+](C)(C)CC1=O	ZINC000028340220	132333939	/nfs/dbraw/zinc/33/39/39/132333939.db2.gz	SFPVKOVIRQBHMW-UHFFFAOYSA-N	1	0	236.251	1.138	1	30		BDEFRO
C#CC[NH2+]CCOc1ccc2ccc(=O)oc2c1	ZINC000103271097	166187288	/nfs/dbraw/zinc/18/72/88/166187288.db2.gz	PFYDYKKZITXWEE-UHFFFAOYSA-N	1	0	243.262	1.395	1	30		BDEFRO
CC(C)[NH2+][C@H](C)[C@@H](O)COc1ccccc1C#N	ZINC000028768498	167138610	/nfs/dbraw/zinc/13/86/10/167138610.db2.gz	PEKQOLFZURMVFB-YPMHNXCESA-N	1	0	248.326	1.684	1	30		BDEFRO
CC1=C[C@@H](C)[C@@H](CN=NC(N)=[NH2+])[C@@H](C)C1	ZINC000229794848	168124875	/nfs/dbraw/zinc/12/48/75/168124875.db2.gz	ZAIQQVUSAHLLDH-BZSBJFFQSA-N	1	0	208.309	1.694	1	30		BDEFRO
COCC(=O)Nc1ccc(/[NH+]=C(\C)N(C)C)cc1	ZINC000100300332	174057851	/nfs/dbraw/zinc/05/78/51/174057851.db2.gz	MKFMTNNOZQXQBP-GXDHUFHOSA-N	1	0	249.314	1.883	1	30		BDEFRO
C[C@@H]1CCc2ccccc2C1=NNC(N)=[NH2+]	ZINC000101192096	176240235	/nfs/dbraw/zinc/24/02/35/176240235.db2.gz	DZRRZZJXFFZTBW-JNFXEEFXSA-N	1	0	216.288	1.246	1	30		BDEFRO
Cc1c(NC2=[NH+]CCN2)ccc2nccnc21	ZINC000000014043	177616207	/nfs/dbraw/zinc/61/62/07/177616207.db2.gz	QZUXRMOPAGPTIY-UHFFFAOYSA-N	1	0	227.271	1.119	1	30		BDEFRO
C[N+](C)(C)CCC1=CC(=O)C(=O)C=C1N	ZINC000169344712	717155821	/nfs/dbraw/zinc/15/58/21/717155821.db2.gz	RGWHTKGQVULZOQ-UHFFFAOYSA-O	1	0	209.269	1.053	1	30		BDEFRO
Cc1cc(C[n+]2cccc(/C=N/O)c2)on1	ZINC000045321201	178059118	/nfs/dbraw/zinc/05/91/18/178059118.db2.gz	XEGPKNNARUTFEC-WUXMJOGZSA-O	1	0	218.236	1.127	1	30		BDEFRO
C=C(c1ccccc1)[C@H]1OC[C@@H]([NH3+])[C@H](C)O1	ZINC000028877208	188059335	/nfs/dbraw/zinc/05/93/35/188059335.db2.gz	KRFQUVCUCDFPGY-UHTWSYAYSA-N	1	0	219.284	1.789	1	30		BDEFRO
C#C[C@@]1(O)C[C@@H](C)[NH2+]C[C@]1(C)CCC#N	ZINC000004340198	166213347	/nfs/dbraw/zinc/21/33/47/166213347.db2.gz	GLAUMXWUXMHJQQ-GRYCIOLGSA-N	1	0	206.289	1.043	1	30		BDEFRO
C=CC[N@@H+]1CCC[C@@H]2Cc3n[nH]cc3C[C@@H]21	ZINC000027554505	166355828	/nfs/dbraw/zinc/35/58/28/166355828.db2.gz	OICIDIZTEFPXQY-MFKMUULPSA-N	1	0	217.316	1.775	1	30		BDEFRO
COc1ccc2c(c1)C(=NNC(N)=[NH2+])CCC2	ZINC000029226540	175206216	/nfs/dbraw/zinc/20/62/16/175206216.db2.gz	WFIFYMSOXCLBRU-PTNGSMBKSA-N	1	0	232.287	1.009	1	30		BDEFRO
CC(=O)N1CCCC[C@@H]1C#CC[N+](C)(C)C	ZINC000026952023	188110382	/nfs/dbraw/zinc/11/03/82/188110382.db2.gz	KOOSKUFQOQSXNG-CYBMUJFWSA-N	1	0	223.340	1.097	1	30		BDEFRO
COc1ccc(C[n+]2ccc(/C=N/O)cc2)cc1	ZINC000045290206	175117921	/nfs/dbraw/zinc/11/79/21/175117921.db2.gz	GYRBNNHPFQFVGF-UHFFFAOYSA-O	1	0	243.286	1.839	1	30		BDEFRO
COc1ccccc1/C=N/O[C@@H]1CC[N@H+](C)C1	ZINC000095591798	175315551	/nfs/dbraw/zinc/31/55/51/175315551.db2.gz	APPONWYHBMTEPB-ZMTLZGASSA-N	1	0	234.299	1.750	1	30		BDEFRO
C[C@H]1CC[C@@H](C#N)N1C(=O)C[NH2+]C1CCCC1	ZINC000014950324	177180487	/nfs/dbraw/zinc/18/04/87/177180487.db2.gz	GSVYWUKPDSZURO-JQWIXIFHSA-N	1	0	235.331	1.422	1	30		BDEFRO
C[N+](C)(C)c1cccc2c1CC/C2=N\N	ZINC000169334195	717156030	/nfs/dbraw/zinc/15/60/30/717156030.db2.gz	VLMAQYFCQQKVLT-SDNWHVSQSA-N	1	0	204.297	1.492	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1	ZINC000053261860	181058983	/nfs/dbraw/zinc/05/89/83/181058983.db2.gz	YDVBKYKVTWRKIY-STQMWFEESA-N	1	0	243.310	1.071	1	30		BDEFRO
N#Cc1ccncc1C1=C[C@@H]2C[NH2+]C[C@H](C1)C2	ZINC000095572091	181159728	/nfs/dbraw/zinc/15/97/28/181159728.db2.gz	CHUVPNWRFUBJRL-MNOVXSKESA-N	1	0	225.295	1.966	1	30		BDEFRO
N/C(=[NH+]\O)N1Cc2cccc3c2[C@@H](CCC3)C1	ZINC000027763278	181179431	/nfs/dbraw/zinc/17/94/31/181179431.db2.gz	JPENUURSSUNMFN-NSHDSACASA-N	1	0	231.299	1.626	1	30		BDEFRO
NC(=[NH2+])N=NCC12CC3CC(CC(C3)C1)C2	ZINC000095553921	181187734	/nfs/dbraw/zinc/18/77/34/181187734.db2.gz	JQWIROUDWSKVDL-VIZOYTHASA-N	1	0	220.320	1.672	1	30		BDEFRO
NC(=[NH2+])NN=CC(=O)Nc1ccc(Cl)cc1	ZINC000095616679	181188274	/nfs/dbraw/zinc/18/82/74/181188274.db2.gz	BIHJZKVZHYGANN-ACAGNQJTSA-N	1	0	239.666	1.397	1	30		BDEFRO
CC(C)[NH2+]C[C@H](O)CON=C1CCCCC1	ZINC000029343167	167115531	/nfs/dbraw/zinc/11/55/31/167115531.db2.gz	BYBBWQCRWPDTSQ-LBPRGKRZSA-N	1	0	228.336	1.682	1	30		BDEFRO
CCC(=O)O/N=C1\COC2(C1)CC[NH+](C)CC2	ZINC000000013603	168248631	/nfs/dbraw/zinc/24/86/31/168248631.db2.gz	VOZJXCWIEUFQRY-RAXLEYEMSA-N	1	0	240.303	1.180	1	30		BDEFRO
CCC(C)(C)[C@@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N	ZINC000028462525	168304073	/nfs/dbraw/zinc/30/40/73/168304073.db2.gz	APAZYVZBHAXPLE-RCWTZXSCSA-N	1	0	235.331	1.263	1	30		BDEFRO
COc1ccc(NC(=O)CC[S+](C)C)cc1	ZINC000026990989	175141523	/nfs/dbraw/zinc/14/15/23/175141523.db2.gz	JGPZMEHJMLIJKC-UHFFFAOYSA-O	1	0	240.348	1.902	1	30		BDEFRO
COc1cccc(C(=O)C[n+]2ccn(C)c2)c1	ZINC000006068533	175242746	/nfs/dbraw/zinc/24/27/46/175242746.db2.gz	FAESCUANKBQSGZ-UHFFFAOYSA-N	1	0	231.275	1.204	1	30		BDEFRO
CSC(=O)C#CC(C)(C)[N+](C)(C)C	ZINC000001551316	717088316	/nfs/dbraw/zinc/08/83/16/717088316.db2.gz	WYZYRJSPHKRESC-UHFFFAOYSA-N	1	0	200.327	1.364	1	30		BDEFRO
C=CC(C)(C)[C@H]([NH3+])C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N	ZINC000169360065	188161242	/nfs/dbraw/zinc/16/12/42/188161242.db2.gz	GSCSWPJNZSKJNO-LNFKQOIKSA-N	1	0	233.315	1.039	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2	ZINC000026670741	181058909	/nfs/dbraw/zinc/05/89/09/181058909.db2.gz	SEENGFNRFCKZST-QNWHQSFQSA-N	1	0	247.342	1.279	1	30		BDEFRO
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])c1ccccc1	ZINC000095587042	181061703	/nfs/dbraw/zinc/06/17/03/181061703.db2.gz	OGMACLKCIMHDDI-VOAKCMCISA-N	1	0	241.294	1.199	1	30		BDEFRO
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C1CCCCC1	ZINC000013560893	181061766	/nfs/dbraw/zinc/06/17/66/181061766.db2.gz	AUZKIXDVTSZLDZ-VOAKCMCISA-N	1	0	247.342	1.407	1	30		BDEFRO
CCNc1ccc(NC2=[NH+]C[C@@H](C)N2)cc1	ZINC000169327382	170172605	/nfs/dbraw/zinc/17/26/05/170172605.db2.gz	DYLYMHZKAIELGD-SECBINFHSA-N	1	0	218.304	1.687	1	30		BDEFRO
CN(/N=C/c1c[nH]c2ccc(O)cc12)C(N)=[NH2+]	ZINC000013741843	172291470	/nfs/dbraw/zinc/29/14/70/172291470.db2.gz	HGXVYQOPHUPTBX-GIDUJCDVSA-N	1	0	231.259	1.033	1	30		BDEFRO
C[C@H]1CCc2ccccc2C1=NNC(N)=[NH2+]	ZINC000101192099	177209976	/nfs/dbraw/zinc/20/99/76/177209976.db2.gz	DZRRZZJXFFZTBW-XCWPYAQASA-N	1	0	216.288	1.246	1	30		BDEFRO
C=CC(C)(C)[C@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N	ZINC000013648731	188106210	/nfs/dbraw/zinc/10/62/10/188106210.db2.gz	GSCSWPJNZSKJNO-VPOLOUISSA-N	1	0	233.315	1.039	1	30		BDEFRO
[NH3+]CCO/N=C1/c2cccn2-c2ccccc21	ZINC000027521757	181398669	/nfs/dbraw/zinc/39/86/69/181398669.db2.gz	DNJXPDYLZIVHDP-FYWRMAATSA-N	1	0	227.267	1.518	1	30		BDEFRO
C(#CC[NH+]1CCCCC1)COC1=NOCC1	ZINC000028872718	166225279	/nfs/dbraw/zinc/22/52/79/166225279.db2.gz	WBNRFJKOFKXCFQ-UHFFFAOYSA-N	1	0	222.288	1.226	1	30		BDEFRO
C#[N+][C@H](C(=O)N1CCOCC1)c1ccccc1	ZINC000084669144	166226066	/nfs/dbraw/zinc/22/60/66/166226066.db2.gz	DRZNGLNSNRRRIZ-LBPRGKRZSA-N	1	0	231.275	1.549	1	30		BDEFRO
CC(C)[NH2+][C@@H](C)[C@H](O)COc1ccccc1C#N	ZINC000028768500	167132252	/nfs/dbraw/zinc/13/22/52/167132252.db2.gz	PEKQOLFZURMVFB-WCQYABFASA-N	1	0	248.326	1.684	1	30		BDEFRO
CC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)[NH2+]1	ZINC000014947495	171639874	/nfs/dbraw/zinc/63/98/74/171639874.db2.gz	PZEFTXJEGXUMRS-DCAQKATOSA-N	1	0	221.304	1.032	1	30		BDEFRO
C[N@@H+]1C[C@@H](CC#N)C[C@H]1c1cccnc1	ZINC000027107938	173181300	/nfs/dbraw/zinc/18/13/00/173181300.db2.gz	BRMNFBYIAHDWSW-JQWIXIFHSA-N	1	0	201.273	1.988	1	30		BDEFRO
C=CC#C[C@@]1(O)C[C@H](C)[N+](C)(C)C[C@@H]1C	ZINC000104756183	518669995	/nfs/dbraw/zinc/66/99/95/518669995.db2.gz	AZFNTQRIGXUFRT-RWMBFGLXSA-N	1	0	208.325	1.412	1	30		BDEFRO
N#Cc1cncc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)c1	ZINC000095576351	187454595	/nfs/dbraw/zinc/45/45/95/187454595.db2.gz	DEXLAAAKAUMETM-WDEREUQCSA-N	1	0	225.295	1.966	1	30		BDEFRO
C=C1C[C@@H]2C[C@@H](C)C[C@H](O)[C@]2(CCC[NH3+])[C@@H]1O	ZINC000005812828	187536786	/nfs/dbraw/zinc/53/67/86/187536786.db2.gz	PHZPENDKWOXXAB-FYGCWZCISA-N	1	0	239.359	1.440	1	30		BDEFRO
C[NH+]1CCC(OC(=O)c2ccccc2C#N)CC1	ZINC000029311954	188110205	/nfs/dbraw/zinc/11/02/05/188110205.db2.gz	XMPOVPHYOASHHH-UHFFFAOYSA-N	1	0	244.294	1.809	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccsc1	ZINC000103248353	181058681	/nfs/dbraw/zinc/05/86/81/181058681.db2.gz	RBFAXCGIKFUXBC-QWRGUYRKSA-N	1	0	249.339	1.132	1	30		BDEFRO
CCCCc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000095598664	169019044	/nfs/dbraw/zinc/01/90/44/169019044.db2.gz	DRXWBNQRNITDHK-OQLLNIDSSA-N	1	0	218.304	1.846	1	30		BDEFRO
C=CC[N@H+]1CCN2C[C@@H]1Cc1ccc(N)cc12	ZINC000027846450	132267380	/nfs/dbraw/zinc/26/73/80/132267380.db2.gz	BQODMLOJIJEJTH-ZDUSSCGKSA-N	1	0	229.327	1.502	1	30		BDEFRO
C#CCCON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780853	166149006	/nfs/dbraw/zinc/14/90/06/166149006.db2.gz	ZCLISQUOMJQNHZ-TXEJJXNPSA-N	1	0	206.289	1.639	1	30		BDEFRO
CC(C)(C)CC[NH2+]CC(=O)N1CCC[C@H]1C#N	ZINC000013522886	166570393	/nfs/dbraw/zinc/57/03/93/166570393.db2.gz	CNSBOKOASQAEIA-NSHDSACASA-N	1	0	237.347	1.527	1	30		BDEFRO
C=CC(C)(C)[C@@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N	ZINC000028469434	188283736	/nfs/dbraw/zinc/28/37/36/188283736.db2.gz	GSCSWPJNZSKJNO-ZNSHCXBVSA-N	1	0	233.315	1.039	1	30		BDEFRO
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H]([NH3+])C1CCCCC1	ZINC000026577930	181061724	/nfs/dbraw/zinc/06/17/24/181061724.db2.gz	AUZKIXDVTSZLDZ-MROQNXINSA-N	1	0	247.342	1.407	1	30		BDEFRO
O/N=C/c1ccc[n+](Cc2ccco2)c1	ZINC000045302890	181826683	/nfs/dbraw/zinc/82/66/83/181826683.db2.gz	INLAQIROCYYSGF-KPKJPENVSA-O	1	0	203.221	1.424	1	30		BDEFRO
C#C[C@@]1(O)C[C@@H](c2ccccc2)[N@H+](C)C[C@@]1(C)O	ZINC000004468815	166214112	/nfs/dbraw/zinc/21/41/12/166214112.db2.gz	CCFDMNFFOBENMZ-RRFJBIMHSA-N	1	0	245.322	1.179	2	30		BDEFRO
C=CCN1c2ccccc2C[C@H]1C1=[NH+]CCN1	ZINC000029339881	166361500	/nfs/dbraw/zinc/36/15/00/166361500.db2.gz	HONDEXWPXYFMFB-ZDUSSCGKSA-N	1	0	227.311	1.605	1	30		BDEFRO
CCC(C)(C)N=C(NC#N)Nc1ccc[n+](C)c1	ZINC000033855168	168288197	/nfs/dbraw/zinc/28/81/97/168288197.db2.gz	JGZYAIJKHGBPHI-UHFFFAOYSA-N	1	0	246.338	1.347	1	30		BDEFRO
CCOC(=O)[C@H](CS)CCCCC[NH3+]	ZINC000095554101	170274077	/nfs/dbraw/zinc/27/40/77/170274077.db2.gz	OCHZJRQCQXNQFN-VIFPVBQESA-N	1	0	219.350	1.615	1	30		BDEFRO
C[N@@H+]1CCC[C@H]1CC#CCN1CCCC1=O	ZINC000029330763	173050960	/nfs/dbraw/zinc/05/09/60/173050960.db2.gz	FBTVOQXINZWZAL-GFCCVEGCSA-N	1	0	220.316	1.097	1	30		BDEFRO
NC(=O)CCCC[C@@H](S)CCSC[NH3+]	ZINC000012496817	571696097	/nfs/dbraw/zinc/69/60/97/571696097.db2.gz	KALYVIJGKPJBQV-MRVPVSSYSA-N	1	0	236.406	1.370	1	30	endogenous,in-man	BDEFRO
Cc1cccc(C(=O)C[n+]2ccn(C)c2)c1	ZINC000026378505	179004424	/nfs/dbraw/zinc/00/44/24/179004424.db2.gz	NINCDWRCZSNYKO-UHFFFAOYSA-N	1	0	215.276	1.504	1	30		BDEFRO
C=C1C[C@@H]2C[C@@H](C)C[C@@H](O)[C@]2(CCC[NH3+])[C@H]1O	ZINC000005812823	188407745	/nfs/dbraw/zinc/40/77/45/188407745.db2.gz	PHZPENDKWOXXAB-RMTQGBGSSA-N	1	0	239.359	1.440	1	30		BDEFRO
C(#Cc1ccccc1)CO/N=C1/CNC=[NH+]C1	ZINC000028242982	166225607	/nfs/dbraw/zinc/22/56/07/166225607.db2.gz	FUNMGGAELKEYAB-UHFFFAOYSA-N	1	0	227.267	1.042	1	30		BDEFRO
CC(C)Oc1noc2c1C[S@@+](C)CC2	ZINC000028761552	167316364	/nfs/dbraw/zinc/31/63/64/167316364.db2.gz	QNEJTDJPQWBZQP-CQSZACIVSA-N	1	0	214.310	1.766	1	30		BDEFRO
C#C[C@@H](C)ON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780847	166212510	/nfs/dbraw/zinc/21/25/10/166212510.db2.gz	YKHUDEZNZSKVOC-JLLWLGSASA-N	1	0	206.289	1.637	1	30		BDEFRO
Cc1ccc(C(=O)C[n+]2ccccn2)cc1	ZINC000026387746	187592645	/nfs/dbraw/zinc/59/26/45/187592645.db2.gz	LZIQISHHRZOGLA-UHFFFAOYSA-N	1	0	213.260	1.560	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CCCCC1	ZINC000035931844	181059006	/nfs/dbraw/zinc/05/90/06/181059006.db2.gz	SXNUNNAPZNTPQV-NWDGAFQWSA-N	1	0	235.331	1.409	1	30		BDEFRO
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H]([NH3+])C1CCCC1	ZINC000026576888	181061820	/nfs/dbraw/zinc/06/18/20/181061820.db2.gz	YXAYKXKMMGMPEY-NOOOWODRSA-N	1	0	233.315	1.017	1	30		BDEFRO
N#Cc1cc(CO/N=C2\C[NH+]3CCC2CC3)on1	ZINC000026728478	181086353	/nfs/dbraw/zinc/08/63/53/181086353.db2.gz	BRSYXCLITOMVBD-NTCAYCPXSA-N	1	0	246.270	1.144	1	30		BDEFRO
C=CCNC1=[NH+]CCN1OCc1ccccc1	ZINC000013539025	166397947	/nfs/dbraw/zinc/39/79/47/166397947.db2.gz	DCTHOIIQQFAOKB-UHFFFAOYSA-N	1	0	231.299	1.565	1	30		BDEFRO
CCC(C)(C)[C@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N	ZINC000013648745	168303994	/nfs/dbraw/zinc/30/39/94/168303994.db2.gz	APAZYVZBHAXPLE-VPOLOUISSA-N	1	0	235.331	1.263	1	30		BDEFRO
C=CC#C[C@@]1(O)C[C@@H](C)[N+](C)(C)C[C@@H]1C	ZINC000104756181	717147611	/nfs/dbraw/zinc/14/76/11/717147611.db2.gz	AZFNTQRIGXUFRT-YNEHKIRRSA-N	1	0	208.325	1.412	1	30		BDEFRO
C[N+](C)(C)c1ccc2c(c1)/C(=N/N)CCC2	ZINC000169334192	717155981	/nfs/dbraw/zinc/15/59/81/717155981.db2.gz	DUTUCSFJFBVTTE-FYWRMAATSA-N	1	0	218.324	1.882	1	30		BDEFRO
CCC/C(C)=N\OC[C@H](O)C[NH2+]C(C)(C)C	ZINC000027708788	168426307	/nfs/dbraw/zinc/42/63/07/168426307.db2.gz	ZRWSRKSEDNNCSK-UXEDPAHQSA-N	1	0	230.352	1.928	1	30		BDEFRO
C[S+](C)CCC(=O)NC1CCCCC1	ZINC000027074576	188283236	/nfs/dbraw/zinc/28/32/36/188283236.db2.gz	NXOOSGKNXRWCNA-UHFFFAOYSA-O	1	0	216.370	1.703	1	30		BDEFRO
C=C1C[C@@H]2C[C@@H](C)C[C@@H](O)[C@]2(CCC[NH3+])[C@@H]1O	ZINC000005812824	188407293	/nfs/dbraw/zinc/40/72/93/188407293.db2.gz	PHZPENDKWOXXAB-RHZHCTOVSA-N	1	0	239.359	1.440	1	30		BDEFRO
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@H]([NH3+])C1CCCC1	ZINC000026576887	181070826	/nfs/dbraw/zinc/07/08/26/181070826.db2.gz	YXAYKXKMMGMPEY-WISYIIOYSA-N	1	0	233.315	1.017	1	30		BDEFRO
C=CCC[N@@H+]1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2	ZINC000033903676	166267384	/nfs/dbraw/zinc/26/73/84/166267384.db2.gz	OKTIETCHYDTVGN-HZSPNIEDSA-N	1	0	248.370	1.895	1	30		BDEFRO
CC[NH2+]CC(=O)N(O)c1c(C)cccc1C	ZINC000005852934	170109860	/nfs/dbraw/zinc/10/98/60/170109860.db2.gz	VSTJVDRXFOQUHB-UHFFFAOYSA-N	1	0	222.288	1.635	1	30		BDEFRO
COc1cccc(C(=O)C[n+]2ccsc2)c1	ZINC000026380698	175242134	/nfs/dbraw/zinc/24/21/34/175242134.db2.gz	GOWJISRHZDIAAG-UHFFFAOYSA-N	1	0	234.300	1.927	1	30		BDEFRO
COc1ccccc1C(=O)C[n+]1ccn(C)c1	ZINC000026388205	175316225	/nfs/dbraw/zinc/31/62/25/175316225.db2.gz	DILZJSZTKAHWLQ-UHFFFAOYSA-N	1	0	231.275	1.204	1	30		BDEFRO
Cc1ccc(-[n+]2cc(C=NO)n(C)c2)cc1	ZINC000029253473	178346360	/nfs/dbraw/zinc/34/63/60/178346360.db2.gz	OTPDUGMCLGBITD-NTUHNPAUSA-O	1	0	216.264	1.418	1	30		BDEFRO
C#CC[C@H]1Cc2c(O)c(O)ccc2[C@H](C[NH3+])O1	ZINC000026575532	188233799	/nfs/dbraw/zinc/23/37/99/188233799.db2.gz	LWUHQVZWIKZZFZ-UFBFGSQYSA-N	1	0	233.267	1.062	1	30		BDEFRO
N/C(NCCCCc1ccccc1)=[NH+]\O	ZINC000096908099	181181471	/nfs/dbraw/zinc/18/14/71/181181471.db2.gz	ZKEQNQWTPBPBJI-UHFFFAOYSA-N	1	0	207.277	1.303	1	30		BDEFRO
C=CCN1CC[N+]2(CC1)C[C@@H](C)O[C@@H](C)C2	ZINC000028961893	166359643	/nfs/dbraw/zinc/35/96/43/166359643.db2.gz	PUCGUMLSHPNNRL-BETUJISGSA-N	1	0	225.356	1.112	1	30		BDEFRO
CC1([C@@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@@H]2C#N)CCCC1	ZINC000026576933	168071953	/nfs/dbraw/zinc/07/19/53/168071953.db2.gz	ILKDJTUPKUDSIV-WYUUTHIRSA-N	1	0	247.342	1.407	1	30		BDEFRO
C[C@@H]1CC[C@@H](C#N)N1C(=O)[C@@H]([NH3+])C1CCCC1	ZINC000036310855	176194681	/nfs/dbraw/zinc/19/46/81/176194681.db2.gz	MRERLGSGIBCVRW-USWWRNFRSA-N	1	0	235.331	1.407	1	30		BDEFRO
Cc1cc(OCC#CC[N+](C)(C)C)no1	ZINC000028872502	178208926	/nfs/dbraw/zinc/20/89/26/178208926.db2.gz	SHEUDFANHWXKDD-UHFFFAOYSA-N	1	0	209.269	1.071	1	30		BDEFRO
C=CC1([C@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCC1	ZINC000013648735	188280171	/nfs/dbraw/zinc/28/01/71/188280171.db2.gz	DVSHKRPWQKYTCX-NOOOWODRSA-N	1	0	245.326	1.183	1	30		BDEFRO
CC(=O)N1CCCC[C@H]1C#CC[N+](C)(C)C	ZINC000026952035	188283176	/nfs/dbraw/zinc/28/31/76/188283176.db2.gz	KOOSKUFQOQSXNG-ZDUSSCGKSA-N	1	0	223.340	1.097	1	30		BDEFRO
C[NH+]1CCC(OC(=O)c2cccc(C#N)c2)CC1	ZINC000029315833	188283783	/nfs/dbraw/zinc/28/37/83/188283783.db2.gz	WJPOVMCSOZQPRJ-UHFFFAOYSA-N	1	0	244.294	1.809	1	30		BDEFRO
O/N=C/c1cc[n+](Cc2ccccc2)cc1	ZINC000000565319	181825406	/nfs/dbraw/zinc/82/54/06/181825406.db2.gz	IKOSIHNIYGTSRI-UHFFFAOYSA-O	1	0	213.260	1.831	1	30		BDEFRO
C#C[C@@]1(O)C[C@@H](C)[NH2+]C[C@@]1(C)CCC#N	ZINC000169294500	166214149	/nfs/dbraw/zinc/21/41/49/166214149.db2.gz	GLAUMXWUXMHJQQ-IJLUTSLNSA-N	1	0	206.289	1.043	1	30		BDEFRO
CC(C)Oc1noc2c1C[S@+](C)CC2	ZINC000028761550	167315798	/nfs/dbraw/zinc/31/57/98/167315798.db2.gz	QNEJTDJPQWBZQP-AWEZNQCLSA-N	1	0	214.310	1.766	1	30		BDEFRO
CCNc1ccc(NC2=[NH+]C[C@H](C)N2)cc1	ZINC000169327384	170173076	/nfs/dbraw/zinc/17/30/76/170173076.db2.gz	DYLYMHZKAIELGD-VIFPVBQESA-N	1	0	218.304	1.687	1	30		BDEFRO
COc1cccc2c1CCCC2=NNC(N)=[NH2+]	ZINC000101193024	175301307	/nfs/dbraw/zinc/30/13/07/175301307.db2.gz	CWTBQMUSTWSRPA-XNTDXEJSSA-N	1	0	232.287	1.009	1	30		BDEFRO
COc1ccccc1/C=N/O[C@H]1CC[N@H+](C)C1	ZINC000095591797	175315204	/nfs/dbraw/zinc/31/52/04/175315204.db2.gz	APPONWYHBMTEPB-IGVUGNCQSA-N	1	0	234.299	1.750	1	30		BDEFRO
C[N+]1(CC#CCOC2=NOCC2)CCCCC1	ZINC000028872743	717116151	/nfs/dbraw/zinc/11/61/51/717116151.db2.gz	IFCVLDPNTNJJNR-UHFFFAOYSA-N	1	0	237.323	1.371	1	30		BDEFRO
CC[N+](C)(C)CC#CCN1C(=O)CC[C@H]1C	ZINC000027733792	717115298	/nfs/dbraw/zinc/11/52/98/717115298.db2.gz	NNSCGZRCMFGKNM-GFCCVEGCSA-N	1	0	223.340	1.097	1	30		BDEFRO
CCOc1cccc(C(=O)C[n+]2ccn(C)c2)c1	ZINC000026381662	188282659	/nfs/dbraw/zinc/28/26/59/188282659.db2.gz	LWKHUYGUXPKXHE-UHFFFAOYSA-N	1	0	245.302	1.594	1	30		BDEFRO
N#CCCCc1cn(-c2ccncc2)nn1	ZINC000045245281	188297626	/nfs/dbraw/zinc/29/76/26/188297626.db2.gz	RELFLWKRVGGHIF-UHFFFAOYSA-N	1	0	213.244	1.509	1	30		BDEFRO
O=C1CCCN1CC#CC[C@H]1CCCC[NH2+]1	ZINC000029326991	182730249	/nfs/dbraw/zinc/73/02/49/182730249.db2.gz	MCBPVVDYNHLGEL-GFCCVEGCSA-N	1	0	220.316	1.144	1	30		BDEFRO
CC(C)[NH2+]C[C@@H](O)CO/N=C/c1ccccc1	ZINC000038868639	167111555	/nfs/dbraw/zinc/11/15/55/167111555.db2.gz	WNESNTPIJYLZOA-MGMWDDNKSA-N	1	0	236.315	1.396	1	30		BDEFRO
CCC(C)(C)[C@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N	ZINC000028462521	168304316	/nfs/dbraw/zinc/30/43/16/168304316.db2.gz	APAZYVZBHAXPLE-CHWFTXMASA-N	1	0	235.331	1.263	1	30		BDEFRO
COC1c2ccccc2CCC1=CN=NC(N)=[NH2+]	ZINC000040380506	174011362	/nfs/dbraw/zinc/01/13/62/174011362.db2.gz	HJRUQCVPHRPUOK-LZYBPNLTSA-N	1	0	244.298	1.250	1	30		BDEFRO
C[N+](C)(C)c1ccc2c(c1)/C(=N/N)CC2	ZINC000169334197	177486528	/nfs/dbraw/zinc/48/65/28/177486528.db2.gz	WZYAKVKYKGRQGE-WYMLVPIESA-N	1	0	204.297	1.492	1	30		BDEFRO
O=C1C=CN2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@H]2C1	ZINC000014610699	560222890	/nfs/dbraw/zinc/22/28/90/560222890.db2.gz	HQSKZPOVBDNEGN-NZBPQXDJSA-N	1	0	246.354	1.648	1	30	biogenic,in-vitro	BDEFRO
C=CC(C)(C)[C@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N	ZINC000028469438	188283891	/nfs/dbraw/zinc/28/38/91/188283891.db2.gz	GSCSWPJNZSKJNO-CHWFTXMASA-N	1	0	233.315	1.039	1	30		BDEFRO
CC(C)(O)C#Cc1cccc([C@H]2C[C@@H]2C[NH3+])c1	ZINC000040913337	188396554	/nfs/dbraw/zinc/39/65/54/188396554.db2.gz	FEFBEWJQHPLKSR-ZIAGYGMSSA-N	1	0	229.323	1.871	1	30		BDEFRO
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C1CCCC1	ZINC000013560892	181061758	/nfs/dbraw/zinc/06/17/58/181061758.db2.gz	YXAYKXKMMGMPEY-RHYQMDGZSA-N	1	0	233.315	1.017	1	30		BDEFRO
Oc1ccc(C#C[C@@]2(O)C[NH+]3CCC2CC3)cc1	ZINC000040977490	183266828	/nfs/dbraw/zinc/26/68/28/183266828.db2.gz	KIQSHQOQPFUQOO-OAHLLOKOSA-N	1	0	243.306	1.200	1	30		BDEFRO
CCOC(=O)N(C)[C@@H](C)C#CC[NH+]1CCCC1	ZINC000013823341	170237884	/nfs/dbraw/zinc/23/78/84/170237884.db2.gz	IXYXTXXZOXRCQY-LBPRGKRZSA-N	1	0	238.331	1.562	1	30		BDEFRO
CO/N=C1/CC2(CC[NH+](C)CC2)O[C@@H]1C	ZINC000004789005	173492875	/nfs/dbraw/zinc/49/28/75/173492875.db2.gz	ZSDUQBKMTMIGEO-IHHQEMEHSA-N	1	0	212.293	1.262	1	30		BDEFRO
CO/N=C1/CC2(CC[NH+](C)CC2)O[C@H]1C	ZINC000013741167	173493226	/nfs/dbraw/zinc/49/32/26/173493226.db2.gz	ZSDUQBKMTMIGEO-ZJVCQKQLSA-N	1	0	212.293	1.262	1	30		BDEFRO
C#CC[n+]1cccc(-c2nc(C)ns2)c1	ZINC000103193892	187874932	/nfs/dbraw/zinc/87/49/32/187874932.db2.gz	BJIHAEGWWZHHEX-UHFFFAOYSA-N	1	0	216.289	1.434	1	30		BDEFRO
C/C(=N/OC[C@@H](O)C[NH2+]C(C)(C)C)C(C)C	ZINC000028755714	188465241	/nfs/dbraw/zinc/46/52/41/188465241.db2.gz	WODBODFWXCRXHY-HKLRHMNMSA-N	1	0	230.352	1.784	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCCCC1	ZINC000013473901	181058783	/nfs/dbraw/zinc/05/87/83/181058783.db2.gz	SXNUNNAPZNTPQV-RYUDHWBXSA-N	1	0	235.331	1.409	1	30	in-vivo	BDEFRO
N#Cc1ccc(C[N+]2=CN3CCCC[C@@H]3C2)cc1	ZINC000072120610	181110703	/nfs/dbraw/zinc/11/07/03/181110703.db2.gz	YWWNSFXZKDVAKZ-OAHLLOKOSA-N	1	0	240.330	1.967	1	30		BDEFRO
CC1=C[C@@H](C)[C@H](CN=NC(N)=[NH2+])[C@@H](C)C1	ZINC000000519888	168124885	/nfs/dbraw/zinc/12/48/85/168124885.db2.gz	ZAIQQVUSAHLLDH-SCTSFSIWSA-N	1	0	208.309	1.694	1	30		BDEFRO
CO/N=C/[C@@H](C)CC#CC[NH+]1CCCC1	ZINC000027875623	173492114	/nfs/dbraw/zinc/49/21/14/173492114.db2.gz	KADNFWFERWWRPI-OWRWYXLESA-N	1	0	208.305	1.744	1	30		BDEFRO
COc1cccc2c1CCCC2=NNC(N)=[NH2+]	ZINC000029224536	175301248	/nfs/dbraw/zinc/30/12/48/175301248.db2.gz	CWTBQMUSTWSRPA-GDNBJRDFSA-N	1	0	232.287	1.009	1	30		BDEFRO
C[N+](C)(C)c1ccc2c(c1)CC/C2=N\N	ZINC000169334193	717155842	/nfs/dbraw/zinc/15/58/42/717155842.db2.gz	NDWPEJWVXDNHIF-WYMLVPIESA-N	1	0	204.297	1.492	1	30		BDEFRO
Cc1cc(OCC#CC[N+]2(C)CCCC2)no1	ZINC000028872549	178208928	/nfs/dbraw/zinc/20/89/28/178208928.db2.gz	XQCTWLUZMMUIIQ-UHFFFAOYSA-N	1	0	235.307	1.606	1	30		BDEFRO
Cn1cc[n+](CC(=O)c2ccc(C#N)cc2)c1	ZINC000026382703	180680306	/nfs/dbraw/zinc/68/03/06/180680306.db2.gz	JEKWTTPZIPYHGI-UHFFFAOYSA-N	1	0	226.259	1.067	1	30		BDEFRO
N#CC1(C#N)C=CC(=C2OC[C@H]3CCC[N@H+]23)C=C1	ZINC000005600321	181027927	/nfs/dbraw/zinc/02/79/27/181027927.db2.gz	DRFRNKRZIJVYAZ-GFCCVEGCSA-N	1	0	239.278	1.852	1	30		BDEFRO
CCN1CCOc2cc(NC3=[NH+]CCN3)ccc21	ZINC000029347058	132334404	/nfs/dbraw/zinc/33/44/04/132334404.db2.gz	PZGKFJXMYVVXJN-UHFFFAOYSA-N	1	0	246.314	1.086	1	30		BDEFRO
C=CCN1CC[N+]2(CC1)C[C@@H](C)O[C@H](C)C2	ZINC000028961889	166358744	/nfs/dbraw/zinc/35/87/44/166358744.db2.gz	PUCGUMLSHPNNRL-CHWSQXEVSA-N	1	0	225.356	1.112	1	30		BDEFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C#N)cn1	ZINC000039247429	166634258	/nfs/dbraw/zinc/63/42/58/166634258.db2.gz	WCMWJZKFCFDZMZ-LLVKDONJSA-N	1	0	249.314	1.081	1	30		BDEFRO
CCC(C)(C)[C@H]([NH3+])C(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C#N	ZINC000169360003	168304044	/nfs/dbraw/zinc/30/40/44/168304044.db2.gz	APAZYVZBHAXPLE-LNFKQOIKSA-N	1	0	235.331	1.263	1	30		BDEFRO
CC[C@@H](C)[C@H]([NH3+])C(=O)N1CSCC[C@@H]1C#N	ZINC000026664560	170794104	/nfs/dbraw/zinc/79/41/04/170794104.db2.gz	NMZWRTSAOXUWBU-BBBLOLIVSA-N	1	0	241.360	1.175	1	30		BDEFRO
CCc1ccc(C(=O)C[N+]2(C)CCOCC2)cc1	ZINC000036381135	343317434	/nfs/dbraw/zinc/31/74/34/343317434.db2.gz	PQYZWRIGCMXIED-UHFFFAOYSA-N	1	0	248.346	1.909	1	30		BDEFRO
NC(=[NH2+])N=NC=C1Cc2ccccc2C1Cl	ZINC000040848966	181187492	/nfs/dbraw/zinc/18/74/92/181187492.db2.gz	OYRANEHEWBHSDB-GIDUJCDVSA-N	1	0	234.690	1.661	1	30		BDEFRO
C[N+]1(C)CCN(c2cccc(C#N)c2)CC1	ZINC000013470067	132321770	/nfs/dbraw/zinc/32/17/70/132321770.db2.gz	GHIGIIVRHYILQC-UHFFFAOYSA-N	1	0	216.308	1.455	1	30		BDEFRO
C=CC#C[C@@]1(O)C[C@@H](C)[N+](C)(C)C[C@H]1C	ZINC000004362126	717097904	/nfs/dbraw/zinc/09/79/04/717097904.db2.gz	AZFNTQRIGXUFRT-JHJVBQTASA-N	1	0	208.325	1.412	1	30		BDEFRO
CC[N+](C)(C)CC#CCN1C(=O)CC[C@@H]1C	ZINC000027733786	717115310	/nfs/dbraw/zinc/11/53/10/717115310.db2.gz	NNSCGZRCMFGKNM-LBPRGKRZSA-N	1	0	223.340	1.097	1	30		BDEFRO
CCC(CC)=NOC[C@@H](O)C[NH2+]C(C)(C)C	ZINC000029347448	168332264	/nfs/dbraw/zinc/33/22/64/168332264.db2.gz	JMJKPXUUIQYECI-NSHDSACASA-N	1	0	230.352	1.928	1	30		BDEFRO
CCC(CC)=NOC[C@H](O)C[NH2+]C(C)(C)C	ZINC000029347452	168332835	/nfs/dbraw/zinc/33/28/35/168332835.db2.gz	JMJKPXUUIQYECI-LLVKDONJSA-N	1	0	230.352	1.928	1	30		BDEFRO
CCC(CC)[NH2+]CC(=O)N1CCC[C@H]1C#N	ZINC000013522889	168386914	/nfs/dbraw/zinc/38/69/14/168386914.db2.gz	JDGWUMGBSVHJDY-NSHDSACASA-N	1	0	223.320	1.279	1	30		BDEFRO
C#C[C@@]1(O)C[C@@H](c2ccccc2)[N@H+](C)C[C@]1(C)O	ZINC000004468812	166213438	/nfs/dbraw/zinc/21/34/38/166213438.db2.gz	CCFDMNFFOBENMZ-SOUVJXGZSA-N	1	0	245.322	1.179	2	30		BDEFRO
CO/N=C/c1ccccc1O[C@H](C)C1=[NH+]CCN1	ZINC000040822924	173493102	/nfs/dbraw/zinc/49/31/02/173493102.db2.gz	YTQHOBJMFUQZEK-VCBXAZPMSA-N	1	0	247.298	1.436	1	30		BDEFRO
COc1ccc(-[n+]2cc(C=NO)n(C)c2)cc1	ZINC000029309522	175043888	/nfs/dbraw/zinc/04/38/88/175043888.db2.gz	GOTLMMYMXWIIJP-NTUHNPAUSA-O	1	0	232.263	1.119	1	30		BDEFRO
N#C[C@@H]1CC=NN1C(=O)C[NH2+]C1CCCCC1	ZINC000028377038	181059126	/nfs/dbraw/zinc/05/91/26/181059126.db2.gz	UKNOPRISSXWHAU-NSHDSACASA-N	1	0	234.303	1.019	1	30		BDEFRO
N#Cc1ccncc1C1=C[C@H]2C[NH2+]C[C@@H](C1)C2	ZINC000095572092	181158990	/nfs/dbraw/zinc/15/89/90/181158990.db2.gz	CHUVPNWRFUBJRL-WDEREUQCSA-N	1	0	225.295	1.966	1	30		BDEFRO
Oc1ccc(C#C[C@]2(O)C[NH+]3CCC2CC3)cc1	ZINC000040977488	183267429	/nfs/dbraw/zinc/26/74/29/183267429.db2.gz	KIQSHQOQPFUQOO-HNNXBMFYSA-N	1	0	243.306	1.200	1	30		BDEFRO
CCCO/N=C/[C@@H](O)C[NH2+]C(C)(C)C	ZINC000011422455	169297851	/nfs/dbraw/zinc/29/78/51/169297851.db2.gz	SMJOAFHPQBEWCA-KWINOFQJSA-N	1	0	202.298	1.148	1	30		BDEFRO
CC(C)[NH2+][C@H](C)[C@H](O)COc1ccccc1C#N	ZINC000028768502	167138815	/nfs/dbraw/zinc/13/88/15/167138815.db2.gz	PEKQOLFZURMVFB-DGCLKSJQSA-N	1	0	248.326	1.684	1	30		BDEFRO
CCC(C)(C)[C@@H]([NH3+])C(=O)N1[C@H]2C[C@H]2C[C@@H]1C#N	ZINC000028462517	168303893	/nfs/dbraw/zinc/30/38/93/168303893.db2.gz	APAZYVZBHAXPLE-ZNSHCXBVSA-N	1	0	235.331	1.263	1	30		BDEFRO
CCOC(=O)[C@@H](CS)CCCCC[NH3+]	ZINC000095554102	170251579	/nfs/dbraw/zinc/25/15/79/170251579.db2.gz	OCHZJRQCQXNQFN-SECBINFHSA-N	1	0	219.350	1.615	1	30		BDEFRO
CC1([C@H]([NH3+])C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CCC1	ZINC000013560894	581092255	/nfs/dbraw/zinc/09/22/55/581092255.db2.gz	NBDXZVDMVHEUKD-VPOLOUISSA-N	1	0	233.315	1.017	1	30		BDEFRO
N#CC1(NC(=O)[C@@H]([NH3+])Cc2cccs2)CCC1	ZINC000049033873	181029991	/nfs/dbraw/zinc/02/99/91/181029991.db2.gz	FBEOUNUQLZYLAX-JTQLQIEISA-N	1	0	249.339	1.180	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+]C1CCCCCC1	ZINC000013522853	181058638	/nfs/dbraw/zinc/05/86/38/181058638.db2.gz	YZGRXGXVYGAUPJ-ZDUSSCGKSA-N	1	0	249.358	1.813	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2	ZINC000026670744	181058875	/nfs/dbraw/zinc/05/88/75/181058875.db2.gz	SEENGFNRFCKZST-RNJOBUHISA-N	1	0	247.342	1.279	1	30		BDEFRO
N#C[C@@H]1CCCN1C(=O)C[NH2+]Cc1ccccc1	ZINC000013522925	181059109	/nfs/dbraw/zinc/05/91/09/181059109.db2.gz	LXYAXEZVPDDTIJ-ZDUSSCGKSA-N	1	0	243.310	1.291	1	30		BDEFRO
N#Cc1[nH]c(Nc2nc3ccccc3[nH]2)nc1N	ZINC000073199546	181169787	/nfs/dbraw/zinc/16/97/87/181169787.db2.gz	VEQGBVUPWAMUNT-UHFFFAOYSA-N	1	0	239.242	1.483	1	30		BDEFRO
N/C(=[NH+]\O)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000027763287	181179257	/nfs/dbraw/zinc/17/92/57/181179257.db2.gz	JPENUURSSUNMFN-LLVKDONJSA-N	1	0	231.299	1.626	1	30		BDEFRO
CCCO/N=C/[C@H](O)C[NH2+]C(C)(C)C	ZINC000011422454	169298130	/nfs/dbraw/zinc/29/81/30/169298130.db2.gz	SMJOAFHPQBEWCA-YXYQAXARSA-N	1	0	202.298	1.148	1	30		BDEFRO
C(#Cc1cccnc1)CC[NH+]1CCCC1	ZINC000013589045	166226283	/nfs/dbraw/zinc/22/62/83/166226283.db2.gz	DJTLMEINQSXGMN-UHFFFAOYSA-N	1	0	200.285	1.919	1	30		BDEFRO
CC1=C(C[NH3+])C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1	ZINC000084375212	168086229	/nfs/dbraw/zinc/08/62/29/168086229.db2.gz	XTOIGLSELYOCSH-AWEZNQCLSA-N	1	0	245.322	1.632	1	30		BDEFRO
CN(C)C(=O)c1cccc([C@H]([NH3+])CS)c1	ZINC000027090889	172392404	/nfs/dbraw/zinc/39/24/04/172392404.db2.gz	HMJGOOGWOLAOJW-SNVBAGLBSA-N	1	0	224.329	1.318	1	30		BDEFRO
Cc1cc(OCC#CC[NH+]2CCCC2)no1	ZINC000028872545	178207732	/nfs/dbraw/zinc/20/77/32/178207732.db2.gz	PZXCPJHNCXGCGK-UHFFFAOYSA-N	1	0	220.272	1.461	1	30		BDEFRO
N#CC1(C#N)C=CC(=C2OC[C@@H]3CCC[N@H+]23)C=C1	ZINC000001620167	181027681	/nfs/dbraw/zinc/02/76/81/181027681.db2.gz	DRFRNKRZIJVYAZ-LBPRGKRZSA-N	1	0	239.278	1.852	1	30		BDEFRO
CCC(C)(C)NC(=NCCC[NH+](C)C)NC#N	ZINC000033855216	168259992	/nfs/dbraw/zinc/25/99/92/168259992.db2.gz	RWTYCVWZPAKQAJ-UHFFFAOYSA-N	1	0	239.367	1.143	1	30		BDEFRO
CN(C)C(=O)c1cccc([C@@H]([NH3+])CS)c1	ZINC000027090882	172392658	/nfs/dbraw/zinc/39/26/58/172392658.db2.gz	HMJGOOGWOLAOJW-JTQLQIEISA-N	1	0	224.329	1.318	1	30		BDEFRO
COc1ccc(NC(=O)C[n+]2ccccc2)cc1	ZINC000039193863	175142432	/nfs/dbraw/zinc/14/24/32/175142432.db2.gz	IPSNLPUHPYIRCQ-UHFFFAOYSA-O	1	0	243.286	1.621	1	30		BDEFRO
CC(=O)N1CCCCC[C@H]1C#CC[N+](C)(C)C	ZINC000026851429	717114188	/nfs/dbraw/zinc/11/41/88/717114188.db2.gz	BDPRKURSFHIECR-AWEZNQCLSA-N	1	0	237.367	1.487	1	30		BDEFRO
NC(=[NH2+])N=NC=CC(Cl)c1ccccc1	ZINC000040862002	181187671	/nfs/dbraw/zinc/18/76/71/181187671.db2.gz	SKTBDZTXCXMFAZ-WLZNRRLWSA-N	1	0	222.679	1.735	1	30		BDEFRO
C#C[C@@]1(O)C[C@H](C)[NH2+]C[C@@]1(C)CCC#N	ZINC000169294502	166214163	/nfs/dbraw/zinc/21/41/63/166214163.db2.gz	GLAUMXWUXMHJQQ-QJPTWQEYSA-N	1	0	206.289	1.043	1	30		BDEFRO
C[C@@H]1CCc2ccccc2C1=NNC(N)=[NH2+]	ZINC000029224520	176240388	/nfs/dbraw/zinc/24/03/88/176240388.db2.gz	DZRRZZJXFFZTBW-ACKYCBKBSA-N	1	0	216.288	1.246	1	30		BDEFRO