smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CCCCCCC[N@H+]1CCC[NH2+]CC1	ZINC000071978878	187276930	/nfs/dbraw/zinc/27/69/30/187276930.db2.gz	PYBRSVRELVUCGY-UHFFFAOYSA-N	1	1	209.337	1.756	40	30		BDEBMO
N#CCCCCCCN1CCC[NH2+]CC1	ZINC000071978878	187276931	/nfs/dbraw/zinc/27/69/31/187276931.db2.gz	PYBRSVRELVUCGY-UHFFFAOYSA-N	1	1	209.337	1.756	40	30		BDEBMO
N#CCCCCCC[N@@H+]1CCCNCC1	ZINC000071978878	187276933	/nfs/dbraw/zinc/27/69/33/187276933.db2.gz	PYBRSVRELVUCGY-UHFFFAOYSA-N	1	1	209.337	1.756	40	30		BDEBMO
N#CCCCCCC[N@H+]1CCCNCC1	ZINC000071978878	187276935	/nfs/dbraw/zinc/27/69/35/187276935.db2.gz	PYBRSVRELVUCGY-UHFFFAOYSA-N	1	1	209.337	1.756	40	30		BDEBMO
Cc1nc(Cl)c(C#N)c2c1C[N@@H+](C)CC2	ZINC000082363881	384218093	/nfs/dbraw/zinc/21/80/93/384218093.db2.gz	APOMEVXBSSRDLE-UHFFFAOYSA-N	1	1	221.691	1.903	40	30		BDEBMO
c1ccc2sc(NC3=[NH+]CCN3)nc2c1	ZINC000059955394	386485874	/nfs/dbraw/zinc/48/58/74/386485874.db2.gz	XZJXQDVYKGQZLY-UHFFFAOYSA-N	1	1	218.285	1.477	40	30	aggregator	BDEBMO
CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H]2CO2)C1	ZINC000242548060	388399807	/nfs/dbraw/zinc/39/98/07/388399807.db2.gz	LBACWQHVIOANBO-NEPJUHHUSA-N	1	1	235.331	1.481	40	30		BDEBMO
COc1cc(C#N)cc(C[NH+](C)C)c1O	ZINC000225722876	388843051	/nfs/dbraw/zinc/84/30/51/388843051.db2.gz	QUFCLGWAUITULJ-UHFFFAOYSA-N	1	1	206.245	1.334	40	30		BDEBMO
C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC1	ZINC000096056526	166350377	/nfs/dbraw/zinc/35/03/77/166350377.db2.gz	OMRYFKVJICJKSY-CHWSQXEVSA-N	1	1	234.343	1.648	40	30		BDEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc(F)cn1	ZINC000096184331	166358160	/nfs/dbraw/zinc/35/81/60/166358160.db2.gz	RSUKHAWZLPZCOT-NWDGAFQWSA-N	1	1	248.305	1.455	40	30		BDEBMO
CC[N@@H+](CCO)Cc1cccc(C#N)c1	ZINC000031945964	411189377	/nfs/dbraw/zinc/18/93/77/411189377.db2.gz	VMADJDUCCIGNMC-UHFFFAOYSA-N	1	1	204.273	1.372	40	30		BDEBMO
CCOC(=O)[C@@]1(C)O[C@]12C[C@H](C)[N@@H+](C)C[C@@H]2C	ZINC000005253537	170262661	/nfs/dbraw/zinc/26/26/61/170262661.db2.gz	NUSPFIPXZQKSOH-DJIHRAIXSA-N	1	1	241.331	1.437	40	30		BDEBMO
C[NH+]1CCN(/N=C/C2CCCCC2)CC1	ZINC000006452212	173065635	/nfs/dbraw/zinc/06/56/35/173065635.db2.gz	LUHYHUWKKCYFBX-ACCUITESSA-N	1	1	209.337	1.800	40	30		BDEBMO
C[C@@H]1CNCC[N@@H+]1CCCCCCC#N	ZINC000067799283	176327049	/nfs/dbraw/zinc/32/70/49/176327049.db2.gz	MAVOZJJJGVNXOK-GFCCVEGCSA-N	1	1	209.337	1.754	40	30		BDEBMO
C[C@@H]1CNCC[N@H+]1CCCCCCC#N	ZINC000067799283	176327050	/nfs/dbraw/zinc/32/70/50/176327050.db2.gz	MAVOZJJJGVNXOK-GFCCVEGCSA-N	1	1	209.337	1.754	40	30		BDEBMO
C=CCn1cc(C[N@H+]2CCC[C@@H](CO)C2)c(C)n1	ZINC000072397831	187359301	/nfs/dbraw/zinc/35/93/01/187359301.db2.gz	RUOSXOWXLKGBBP-CYBMUJFWSA-N	1	1	249.358	1.582	40	30		BDEBMO
CC[NH+]1CCN(C(=S)NCC(C)C)CC1	ZINC000008686293	346679032	/nfs/dbraw/zinc/67/90/32/346679032.db2.gz	VQGFLDTZOXLYDR-UHFFFAOYSA-N	1	1	229.393	1.566	40	30		BDEBMO
C#CCn1cc(NC2=[NH+]CCCCC2)cn1	ZINC000217813046	388381375	/nfs/dbraw/zinc/38/13/75/388381375.db2.gz	SIRKMZLMSGKSQI-UHFFFAOYSA-N	1	1	216.288	1.901	40	30		BDEBMO
C(=NNC1=[NH+]CCN1)c1ccc2ccccc2c1	ZINC000031862393	166230334	/nfs/dbraw/zinc/23/03/34/166230334.db2.gz	YGUBABMYJVJMMM-YVLHZVERSA-N	1	1	238.294	1.723	40	30		BDEBMO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)CC#N)C2	ZINC000096071467	166357162	/nfs/dbraw/zinc/35/71/62/166357162.db2.gz	RGBJIASSFMSIQD-AWEZNQCLSA-N	1	1	247.342	1.543	40	30		BDEBMO
C=CC[N@H+]1Cc2c(cnn2C)[C@@H](COC)C1	ZINC000096068255	166361231	/nfs/dbraw/zinc/36/12/31/166361231.db2.gz	LPUPKMGQZCHHII-SNVBAGLBSA-N	1	1	221.304	1.152	40	30		BDEBMO
CC[N@H+](CCO)Cc1ccccc1C#N	ZINC000031945813	411189466	/nfs/dbraw/zinc/18/94/66/411189466.db2.gz	WRKPYZVFOVGIFN-UHFFFAOYSA-N	1	1	204.273	1.372	40	30		BDEBMO
CC[N@@H+](CCO)Cc1ccccc1C#N	ZINC000031945813	411189469	/nfs/dbraw/zinc/18/94/69/411189469.db2.gz	WRKPYZVFOVGIFN-UHFFFAOYSA-N	1	1	204.273	1.372	40	30		BDEBMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1ccc(C#N)nc1)C2	ZINC000097227405	173206007	/nfs/dbraw/zinc/20/60/07/173206007.db2.gz	VHPRAULUNBLAQK-GXTWGEPZSA-N	1	1	242.326	1.626	40	30		BDEBMO
[NH3+][C@@H]1C=CC(=O)c2nc(-c3cccs3)nn21	ZINC000575602839	343592045	/nfs/dbraw/zinc/59/20/45/343592045.db2.gz	STIUERFTKFYCML-QMMMGPOBSA-N	1	1	232.268	1.216	40	30		BDEBMO
C=CCn1ncc(C[N@H+]2CCC[C@@H](CO)C2)c1C	ZINC000072397845	187359565	/nfs/dbraw/zinc/35/95/65/187359565.db2.gz	SAOOJVZRXJBWSR-CYBMUJFWSA-N	1	1	249.358	1.582	40	30		BDEBMO
CCCNC(=S)N1CC[NH+](CC)CC1	ZINC000008686292	346678673	/nfs/dbraw/zinc/67/86/73/346678673.db2.gz	PZDPHCDKNQFWGQ-UHFFFAOYSA-N	1	1	215.366	1.320	40	30		BDEBMO
C[N@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21	ZINC000096081674	388806396	/nfs/dbraw/zinc/80/63/96/388806396.db2.gz	GCXBDGBTTFVFSM-KGLIPLIRSA-N	1	1	243.310	1.077	40	30		BDEBMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1	ZINC000089933147	166298056	/nfs/dbraw/zinc/29/80/56/166298056.db2.gz	JZDDUWCUHABRTD-JHJVBQTASA-N	1	1	227.348	1.406	40	30		BDEBMO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1nccs1	ZINC000096184323	166358760	/nfs/dbraw/zinc/35/87/60/166358760.db2.gz	XSHYXQDJNMYLCV-NWDGAFQWSA-N	1	1	249.383	1.978	40	30		BDEBMO
C=CCNC(=O)c1cncc([C@@H]2CCC[N@H+]2C)n1	ZINC000257218101	166394854	/nfs/dbraw/zinc/39/48/54/166394854.db2.gz	DBXCOFRNQZPHMW-LBPRGKRZSA-N	1	1	246.314	1.159	40	30		BDEBMO
C=CCNC(=O)c1cncc([C@@H]2CCC[N@@H+]2C)n1	ZINC000257218101	166394855	/nfs/dbraw/zinc/39/48/55/166394855.db2.gz	DBXCOFRNQZPHMW-LBPRGKRZSA-N	1	1	246.314	1.159	40	30		BDEBMO
N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1	ZINC000042222031	181103786	/nfs/dbraw/zinc/10/37/86/181103786.db2.gz	SOHDKKWGVWTHRS-AWEZNQCLSA-N	1	1	230.311	1.905	40	30		BDEBMO
N#Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000038538971	181106247	/nfs/dbraw/zinc/10/62/47/181106247.db2.gz	HMOUQMPABXBVFZ-LBPRGKRZSA-N	1	1	202.257	1.125	40	30		BDEBMO
N#Cc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000061707921	181145684	/nfs/dbraw/zinc/14/56/84/181145684.db2.gz	LLUGSDLAUDJJCJ-LBPRGKRZSA-N	1	1	202.257	1.125	40	30		BDEBMO
N#Cc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000061707921	181145686	/nfs/dbraw/zinc/14/56/86/181145686.db2.gz	LLUGSDLAUDJJCJ-LBPRGKRZSA-N	1	1	202.257	1.125	40	30		BDEBMO
CCOC(=O)[C@@]1(C)O[C@]12C[C@@H](C)[N@@H+](C)C[C@@H]2C	ZINC000013786511	170262675	/nfs/dbraw/zinc/26/26/75/170262675.db2.gz	NUSPFIPXZQKSOH-YGNMPJRFSA-N	1	1	241.331	1.437	40	30		BDEBMO
CCOC(=O)[C@@]12CCC(=O)C=C1C[N@@H+](C)CC2	ZINC000001727027	170263292	/nfs/dbraw/zinc/26/32/92/170263292.db2.gz	SVIKZTQSFMSEJO-CYBMUJFWSA-N	1	1	237.299	1.161	40	30		BDEBMO
CCOC(=O)[C@@]12CCC(=O)C=C1C[N@H+](C)CC2	ZINC000001727027	170263293	/nfs/dbraw/zinc/26/32/93/170263293.db2.gz	SVIKZTQSFMSEJO-CYBMUJFWSA-N	1	1	237.299	1.161	40	30		BDEBMO
CCOC(=O)[C@]12CCC(=O)C=C1C[N@@H+](C)CC2	ZINC000005085173	170286568	/nfs/dbraw/zinc/28/65/68/170286568.db2.gz	SVIKZTQSFMSEJO-ZDUSSCGKSA-N	1	1	237.299	1.161	40	30		BDEBMO
CCOC(=O)[C@]12CCC(=O)C=C1C[N@H+](C)CC2	ZINC000005085173	170286570	/nfs/dbraw/zinc/28/65/70/170286570.db2.gz	SVIKZTQSFMSEJO-ZDUSSCGKSA-N	1	1	237.299	1.161	40	30		BDEBMO
C=CCn1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1	ZINC000072397828	188048027	/nfs/dbraw/zinc/04/80/27/188048027.db2.gz	NRVSAGHDWDPLET-CYBMUJFWSA-N	1	1	235.331	1.334	40	30		BDEBMO
N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CO)C1	ZINC000016337907	181146090	/nfs/dbraw/zinc/14/60/90/181146090.db2.gz	IWONZNMPDKMWRJ-GFCCVEGCSA-N	1	1	230.311	1.763	40	30		BDEBMO
N/[NH+]=C(\c1ccc(Cl)cc1)N1CCOCC1	ZINC000017105960	181185129	/nfs/dbraw/zinc/18/51/29/181185129.db2.gz	VQUOXJSYYUENBE-SDNWHVSQSA-N	1	1	239.706	1.293	40	30		BDEBMO
C[C@@H]1C[N@H+]([C@H]2CCC/C2=N/O)C[C@H](C)O1	ZINC000137451406	388561047	/nfs/dbraw/zinc/56/10/47/388561047.db2.gz	KOGWRFDTZPLOTK-XHTSPTIJSA-N	1	1	212.293	1.478	40	30		BDEBMO
C[C@@H]1C[N@@H+]([C@H]2CCC/C2=N/O)C[C@H](C)O1	ZINC000137451406	388561050	/nfs/dbraw/zinc/56/10/50/388561050.db2.gz	KOGWRFDTZPLOTK-XHTSPTIJSA-N	1	1	212.293	1.478	40	30		BDEBMO
C=CCN1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1=O	ZINC000096244999	166361699	/nfs/dbraw/zinc/36/16/99/166361699.db2.gz	JDUCSLVHCKFAGV-STQMWFEESA-N	1	1	236.359	1.609	40	30		BDEBMO
C=CCN1C[C@@H]2C[N@H+]([C@@H](C)CC)C[C@@H]2C1=O	ZINC000096245009	166362074	/nfs/dbraw/zinc/36/20/74/166362074.db2.gz	HVMCUILSZFLJOO-TUAOUCFPSA-N	1	1	222.332	1.361	40	30		BDEBMO
C[NH+]1CCN(/N=C/c2ccccc2F)CC1	ZINC000003225295	173063399	/nfs/dbraw/zinc/06/33/99/173063399.db2.gz	TZELVFPVVRYRCX-GXDHUFHOSA-N	1	1	221.279	1.407	40	30		BDEBMO
C[NH+]1CCN(/N=C/c2ccccc2)CC1	ZINC000006792277	173065458	/nfs/dbraw/zinc/06/54/58/173065458.db2.gz	XMKHKIYQYDPWJF-ACCUITESSA-N	1	1	203.289	1.268	40	30		BDEBMO
C[N@H+]1CCC[C@H](C=O)[C@H]1c1cccnc1	ZINC000110754787	369974758	/nfs/dbraw/zinc/97/47/58/369974758.db2.gz	KVAYLFGLTIJXOZ-VXGBXAGGSA-N	1	1	204.273	1.663	40	30		BDEBMO
Oc1ccc(C=NNc2cc[nH+]cc2)c(O)c1	ZINC000006828743	183265743	/nfs/dbraw/zinc/26/57/43/183265743.db2.gz	KHZUNDIGTGENQV-RIYZIHGNSA-N	1	1	229.239	1.939	40	30		BDEBMO
C[NH+](C)c1c(N)cc(C#N)n1C[C@@H]1CCCO1	ZINC000225863475	388848082	/nfs/dbraw/zinc/84/80/82/388848082.db2.gz	RDJDHSNUCMCKLW-JTQLQIEISA-N	1	1	234.303	1.187	40	30		BDEBMO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)CC#N)C2	ZINC000096071466	166355565	/nfs/dbraw/zinc/35/55/65/166355565.db2.gz	RGBJIASSFMSIQD-CQSZACIVSA-N	1	1	247.342	1.543	40	30		BDEBMO
C=CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc(F)cn1	ZINC000306138231	166358251	/nfs/dbraw/zinc/35/82/51/166358251.db2.gz	RSUKHAWZLPZCOT-VXGBXAGGSA-N	1	1	248.305	1.455	40	30		BDEBMO
C=CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc(F)cn1	ZINC000306138230	166359020	/nfs/dbraw/zinc/35/90/20/166359020.db2.gz	RSUKHAWZLPZCOT-NEPJUHHUSA-N	1	1	248.305	1.455	40	30		BDEBMO
C[C@@H]1C[NH+]([C@@H]2CCC/C2=N/O)C[C@@H](C)O1	ZINC000100964924	176316069	/nfs/dbraw/zinc/31/60/69/176316069.db2.gz	KOGWRFDTZPLOTK-PPELGGJNSA-N	1	1	212.293	1.478	40	30		BDEBMO
O=CC1=C(O)C[N@@H+](Cc2ccccc2)CC1	ZINC000199548523	527143110	/nfs/dbraw/zinc/14/31/10/527143110.db2.gz	YWIAKSINCGZDTE-LBPRGKRZSA-N	1	1	217.268	1.277	40	30		BDEBMO
O=CC1=C(O)C[N@H+](Cc2ccccc2)CC1	ZINC000199548523	527143114	/nfs/dbraw/zinc/14/31/14/527143114.db2.gz	YWIAKSINCGZDTE-LBPRGKRZSA-N	1	1	217.268	1.277	40	30		BDEBMO
O=CC1=C(O)C[N@@H+](Cc2ccccc2)CC1	ZINC000199548508	527143712	/nfs/dbraw/zinc/14/37/12/527143712.db2.gz	YWIAKSINCGZDTE-GFCCVEGCSA-N	1	1	217.268	1.277	40	30		BDEBMO
O=CC1=C(O)C[N@H+](Cc2ccccc2)CC1	ZINC000199548508	527143718	/nfs/dbraw/zinc/14/37/18/527143718.db2.gz	YWIAKSINCGZDTE-GFCCVEGCSA-N	1	1	217.268	1.277	40	30		BDEBMO
CC(=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1	ZINC000199883545	566471909	/nfs/dbraw/zinc/47/19/09/566471909.db2.gz	KVBXIOBAWAOKKO-LLVKDONJSA-N	1	1	220.228	1.681	40	30		BDEBMO
C[C@H]1C[NH+]([C@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)C[C@H](C)O1	ZINC000104861606	136215094	/nfs/dbraw/zinc/21/50/94/136215094.db2.gz	LBUFKKCLEPGQPI-SIXKUNPBSA-N	1	1	238.331	1.724	40	30		BDEBMO
C(=NNC1=[NH+]CCN1)c1ccc2ccccc2c1	ZINC000001645640	166229921	/nfs/dbraw/zinc/22/99/21/166229921.db2.gz	YGUBABMYJVJMMM-LICLKQGHSA-N	1	1	238.294	1.723	40	30		BDEBMO
C[NH+](C)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000014152887	136274792	/nfs/dbraw/zinc/27/47/92/136274792.db2.gz	VLJNPTAEZABPDG-UHFFFAOYSA-N	1	1	237.690	1.712	40	30		BDEBMO
C=CCn1ncc(C[N@H+]2CCC[C@H](O)C2)c1C	ZINC000072397842	188047170	/nfs/dbraw/zinc/04/71/70/188047170.db2.gz	CFYDHZIKRDIQKJ-ZDUSSCGKSA-N	1	1	235.331	1.334	40	30		BDEBMO
Cc1ccsc1/C=N/N1CC[NH+](C)CC1	ZINC000019681318	371182506	/nfs/dbraw/zinc/18/25/06/371182506.db2.gz	UFDJNLNAPHINKD-FMIVXFBMSA-N	1	1	223.345	1.638	40	30		BDEBMO
CCOCCn1c(C#N)cc(N)c1[NH+](C)C	ZINC000225863785	386224318	/nfs/dbraw/zinc/22/43/18/386224318.db2.gz	LAMWGDQHDJQBPZ-UHFFFAOYSA-N	1	1	222.292	1.044	40	30		BDEBMO
Cc1nccn1[C@@H]1CCC[N@@H+](C[C@H]2CO2)C1	ZINC000242548480	388399415	/nfs/dbraw/zinc/39/94/15/388399415.db2.gz	LMWGTGDTFNJUHL-NEPJUHHUSA-N	1	1	221.304	1.227	40	30		BDEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cnn(C)c1	ZINC000096055799	166359132	/nfs/dbraw/zinc/35/91/32/166359132.db2.gz	HOBGTZSDKOBYRW-UONOGXRCSA-N	1	1	246.358	1.255	40	30		BDEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnn(C)c1	ZINC000096055799	166359135	/nfs/dbraw/zinc/35/91/35/166359135.db2.gz	HOBGTZSDKOBYRW-UONOGXRCSA-N	1	1	246.358	1.255	40	30		BDEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnn(C)c1	ZINC000096055799	166359137	/nfs/dbraw/zinc/35/91/37/166359137.db2.gz	HOBGTZSDKOBYRW-UONOGXRCSA-N	1	1	246.358	1.255	40	30		BDEBMO
C=CCN1C[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1=O	ZINC000096244998	166361914	/nfs/dbraw/zinc/36/19/14/166361914.db2.gz	TXQAGDSXDXOSEU-RYUDHWBXSA-N	1	1	222.332	1.219	40	30		BDEBMO
N#Cc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1	ZINC000079439222	181109349	/nfs/dbraw/zinc/10/93/49/181109349.db2.gz	IXLABWAWHXNGCL-AWEZNQCLSA-N	1	1	229.327	1.647	40	30		BDEBMO
N#CCCCC[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@H]2C1	ZINC000074993846	384038916	/nfs/dbraw/zinc/03/89/16/384038916.db2.gz	CXKSZLDEFRQWJK-ZDEQEGDKSA-N	1	1	220.316	1.789	40	30		BDEBMO
O/N=C1\[C@H]([NH2+]Cc2ccco2)[C@@H]2CC[C@H]1C2	ZINC000100964769	384365075	/nfs/dbraw/zinc/36/50/75/384365075.db2.gz	NSLUZWCCCMAJIH-PJLYRLJOSA-N	1	1	220.272	1.998	40	30		BDEBMO
O/N=C1/CCC=CCC[C@H]1[NH+]1CCOCC1	ZINC000016136412	384453072	/nfs/dbraw/zinc/45/30/72/384453072.db2.gz	BXSRHSKFDYXSCZ-XZDQOPSCSA-N	1	1	224.304	1.648	40	30		BDEBMO
CC[NH+](CC)[C@H]1C(=O)N[C@@H]1C#Cc1ccccc1	ZINC000001651620	397935732	/nfs/dbraw/zinc/93/57/32/397935732.db2.gz	CNJGEBDMMZACBG-ZIAGYGMSSA-N	1	1	242.322	1.247	40	30		BDEBMO
C#CCC1([N@H+](CCO)Cc2ccccc2)COC1	ZINC000306145945	166118727	/nfs/dbraw/zinc/11/87/27/166118727.db2.gz	WVOCMNATBXAZGT-UHFFFAOYSA-N	1	1	245.322	1.273	40	30		BDEBMO
C#CCC1([N@@H+](CCO)Cc2ccccc2)COC1	ZINC000306145945	166118733	/nfs/dbraw/zinc/11/87/33/166118733.db2.gz	WVOCMNATBXAZGT-UHFFFAOYSA-N	1	1	245.322	1.273	40	30		BDEBMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1	ZINC000089933149	166298311	/nfs/dbraw/zinc/29/83/11/166298311.db2.gz	JZDDUWCUHABRTD-FRRDWIJNSA-N	1	1	227.348	1.406	40	30		BDEBMO
CCOC(=O)[C@]1(C)O[C@@]12C[C@H](C)[N@@H+](C)C[C@@H]2C	ZINC000005253534	170286121	/nfs/dbraw/zinc/28/61/21/170286121.db2.gz	NUSPFIPXZQKSOH-XRRVDJEJSA-N	1	1	241.331	1.437	40	30		BDEBMO
C#Cc1ccc([C@@H]2C[C@@]2([NH3+])C(=O)OC)cc1	ZINC000242581750	345159572	/nfs/dbraw/zinc/15/95/72/345159572.db2.gz	OEJHOECLGURUEW-AAEUAGOBSA-N	1	1	215.252	1.026	40	30		BDEBMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1	ZINC000015260710	181103105	/nfs/dbraw/zinc/10/31/05/181103105.db2.gz	HZSLDZRQZSKBKA-AWEZNQCLSA-N	1	1	230.311	1.763	40	30		BDEBMO
O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1[NH2+]Cc1ccco1	ZINC000100964772	384364888	/nfs/dbraw/zinc/36/48/88/384364888.db2.gz	NSLUZWCCCMAJIH-ZLRNHXPPSA-N	1	1	220.272	1.998	40	30		BDEBMO
C=CC[N@@H+]1CCC2(CN(c3ccc(C)nn3)C2)C1	ZINC000096070817	166352811	/nfs/dbraw/zinc/35/28/11/166352811.db2.gz	SYCGIVIAZJUHIC-UHFFFAOYSA-N	1	1	244.342	1.483	40	30		BDEBMO
C=CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc(F)cn1	ZINC000096184332	166359693	/nfs/dbraw/zinc/35/96/93/166359693.db2.gz	RSUKHAWZLPZCOT-RYUDHWBXSA-N	1	1	248.305	1.455	40	30		BDEBMO
N#C[C@]1(CO)CC[N@H+](Cc2ccccc2)C1	ZINC000091305016	188144429	/nfs/dbraw/zinc/14/44/29/188144429.db2.gz	QRYMNVQUHVGPCK-CYBMUJFWSA-N	1	1	216.284	1.395	40	30		BDEBMO
N#C[C@]1(CO)CC[N@@H+](Cc2ccccc2)C1	ZINC000091305016	188144431	/nfs/dbraw/zinc/14/44/31/188144431.db2.gz	QRYMNVQUHVGPCK-CYBMUJFWSA-N	1	1	216.284	1.395	40	30		BDEBMO
N#Cc1ccccc1C[N@@H+](CCO)C1CC1	ZINC000048065214	181145188	/nfs/dbraw/zinc/14/51/88/181145188.db2.gz	PLEMSLULMOQVSN-UHFFFAOYSA-N	1	1	216.284	1.515	40	30		BDEBMO
N#Cc1ccccc1C[N@H+](CCO)C1CC1	ZINC000048065214	181145189	/nfs/dbraw/zinc/14/51/89/181145189.db2.gz	PLEMSLULMOQVSN-UHFFFAOYSA-N	1	1	216.284	1.515	40	30		BDEBMO
C[N+](C)(C)c1ccc(/C(C#N)=N/O)cc1	ZINC000104165740	384806141	/nfs/dbraw/zinc/80/61/41/384806141.db2.gz	VIOVZYCFVUICLE-ACCUITESSA-O	1	1	204.253	1.585	40	30		BDEBMO
C[NH+]1CCN(/N=C/c2ccccc2Cl)CC1	ZINC000003225348	173065167	/nfs/dbraw/zinc/06/51/67/173065167.db2.gz	RFLFSXYEWCRZGJ-GXDHUFHOSA-N	1	1	237.734	1.921	40	30		BDEBMO
C#Cc1ccc([C@@H]2C[C@]2([NH3+])C(=O)OC)cc1	ZINC000242581752	345159448	/nfs/dbraw/zinc/15/94/48/345159448.db2.gz	OEJHOECLGURUEW-WCQYABFASA-N	1	1	215.252	1.026	40	30		BDEBMO
C=CCOC(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000019594747	187370667	/nfs/dbraw/zinc/37/06/67/187370667.db2.gz	CDFATPKAADNQOR-LLVKDONJSA-N	1	1	205.257	1.286	40	30		BDEBMO
C#CC[N@H+](C)Cc1ccc2c(c1C)OCO2	ZINC000038917492	348797422	/nfs/dbraw/zinc/79/74/22/348797422.db2.gz	CNJDDYITSWAMBY-UHFFFAOYSA-N	1	1	217.268	1.789	40	30		BDEBMO
C[N@H+]1CCC[C@@H](C=O)[C@@H]1c1cccnc1	ZINC000096515815	188147653	/nfs/dbraw/zinc/14/76/53/188147653.db2.gz	KVAYLFGLTIJXOZ-RYUDHWBXSA-N	1	1	204.273	1.663	40	30		BDEBMO
N#Cc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000061707922	181145078	/nfs/dbraw/zinc/14/50/78/181145078.db2.gz	LLUGSDLAUDJJCJ-GFCCVEGCSA-N	1	1	202.257	1.125	40	30		BDEBMO
N#Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000061707922	181145079	/nfs/dbraw/zinc/14/50/79/181145079.db2.gz	LLUGSDLAUDJJCJ-GFCCVEGCSA-N	1	1	202.257	1.125	40	30		BDEBMO
C#CCn1c[nH+]c(-c2cccc(F)c2)c1N	ZINC000100761239	219931173	/nfs/dbraw/zinc/93/11/73/219931173.db2.gz	BVQPQNWCZLPSGH-UHFFFAOYSA-N	1	1	215.231	1.905	40	30		BDEBMO
C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CO1	ZINC000095095880	385149401	/nfs/dbraw/zinc/14/94/01/385149401.db2.gz	VGHVJYWAZOHUPH-UPJWGTAASA-N	1	1	225.332	1.666	40	30		BDEBMO
c1ccc(C[N@@H+]2CC[C@@H](OC[C@H]3CO3)C2)cc1	ZINC000242677105	388400851	/nfs/dbraw/zinc/40/08/51/388400851.db2.gz	SYSOBSUBLWSICT-KGLIPLIRSA-N	1	1	233.311	1.676	40	30		BDEBMO
C[C@@H]1C[NH+]([C@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)C[C@@H](C)O1	ZINC000104861609	136215014	/nfs/dbraw/zinc/21/50/14/136215014.db2.gz	LBUFKKCLEPGQPI-FJDWBKHGSA-N	1	1	238.331	1.724	40	30		BDEBMO
C[C@@H]1C[N@H+]([C@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)C[C@H](C)O1	ZINC000104861602	136215133	/nfs/dbraw/zinc/21/51/33/136215133.db2.gz	LBUFKKCLEPGQPI-WNKWMICYSA-N	1	1	238.331	1.724	40	30		BDEBMO
C[C@@H]1C[N@@H+]([C@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)C[C@H](C)O1	ZINC000104861602	136215134	/nfs/dbraw/zinc/21/51/34/136215134.db2.gz	LBUFKKCLEPGQPI-WNKWMICYSA-N	1	1	238.331	1.724	40	30		BDEBMO
C=CCn1cc(C[N@H+]2CCC[C@H](CO)C2)c(C)n1	ZINC000072397830	188221611	/nfs/dbraw/zinc/22/16/11/188221611.db2.gz	RUOSXOWXLKGBBP-ZDUSSCGKSA-N	1	1	249.358	1.582	40	30		BDEBMO
CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CO1	ZINC000252487134	388653384	/nfs/dbraw/zinc/65/33/84/388653384.db2.gz	SESQQHGOEZIHFX-RYUDHWBXSA-N	1	1	240.347	1.108	40	30		BDEBMO
CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C[C@H]1CO1	ZINC000252487133	388653490	/nfs/dbraw/zinc/65/34/90/388653490.db2.gz	SESQQHGOEZIHFX-NWDGAFQWSA-N	1	1	240.347	1.108	40	30		BDEBMO
CC[C@@H](C)n1c(C#N)cc(N)c1[NH+](C)C	ZINC000225863382	388848385	/nfs/dbraw/zinc/84/83/85/388848385.db2.gz	JCNXMWLSJZIISJ-MRVPVSSYSA-N	1	1	206.293	1.979	40	30		BDEBMO
C=CCN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccco1	ZINC000096245849	166351102	/nfs/dbraw/zinc/35/11/02/166351102.db2.gz	WGCMFQXHOACCJP-STQMWFEESA-N	1	1	246.310	1.641	40	30		BDEBMO
CC[N@@H+](CC#CCO)Cc1ccc(OC)cc1	ZINC000065740979	488014186	/nfs/dbraw/zinc/01/41/86/488014186.db2.gz	ZBWGWOJBMMIYJB-UHFFFAOYSA-N	1	1	233.311	1.513	40	30	in-vitro	BDEBMO
C=CCOC[C@H]1C[NH2+]Cc2nnn(CC3CC3)c21	ZINC000107488376	518996581	/nfs/dbraw/zinc/99/65/81/518996581.db2.gz	GCDAJKSTSMTNAY-LLVKDONJSA-N	1	1	248.330	1.078	40	30		BDEBMO
C=CCn1ncc(C[N@H+]2CCC[C@@H](O)C2)c1C	ZINC000072397843	188221393	/nfs/dbraw/zinc/22/13/93/188221393.db2.gz	CFYDHZIKRDIQKJ-CYBMUJFWSA-N	1	1	235.331	1.334	40	30		BDEBMO
N#Cc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000245318989	181103259	/nfs/dbraw/zinc/10/32/59/181103259.db2.gz	YRMLYZYGBMZMGW-HNNXBMFYSA-N	1	1	241.338	1.838	40	30		BDEBMO
C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CO1	ZINC000109687407	369517860	/nfs/dbraw/zinc/51/78/60/369517860.db2.gz	VGHVJYWAZOHUPH-JHJVBQTASA-N	1	1	225.332	1.666	40	30		BDEBMO
C[C@]1(c2ccccc2)CCC(=NNC(N)=[NH2+])NC1	ZINC000001620760	383912988	/nfs/dbraw/zinc/91/29/88/383912988.db2.gz	ICVLISNZYCQEEK-ZDUSSCGKSA-N	1	1	245.330	1.124	40	30		BDEBMO
C=CCOC(=O)[C@H]([NH3+])CCc1ccccc1	ZINC000071788301	384699203	/nfs/dbraw/zinc/69/92/03/384699203.db2.gz	QZNGCXZNIWEMQK-GFCCVEGCSA-N	1	1	219.284	1.676	40	30		BDEBMO
C=CCn1cc(C[N@H+]2CCC[C@H](O)C2)c(C)n1	ZINC000072397827	385923442	/nfs/dbraw/zinc/92/34/42/385923442.db2.gz	NRVSAGHDWDPLET-ZDUSSCGKSA-N	1	1	235.331	1.334	40	30		BDEBMO
CC[N@@H+](CCO)Cc1ccc(C#N)cc1	ZINC000031945976	411189330	/nfs/dbraw/zinc/18/93/30/411189330.db2.gz	VINHYKOXLZLCOW-UHFFFAOYSA-N	1	1	204.273	1.372	40	30		BDEBMO
CCOC(=O)[C@@]1(C)O[C@@]12C[C@@H](C)[N@@H+](C)C[C@@H]2C	ZINC000002428609	170262725	/nfs/dbraw/zinc/26/27/25/170262725.db2.gz	NUSPFIPXZQKSOH-XKAARJIMSA-N	1	1	241.331	1.437	40	30		BDEBMO
Cc1nc(NC(N)=[NH2+])nc2c(Cl)cccc12	ZINC000016971854	136275388	/nfs/dbraw/zinc/27/53/88/136275388.db2.gz	VPXDNWYQGDRGJM-UHFFFAOYSA-N	1	1	235.678	1.497	40	30		BDEBMO
N/[NH+]=C(/c1ccc(Cl)cc1)N1CCOCC1	ZINC000001565110	181184514	/nfs/dbraw/zinc/18/45/14/181184514.db2.gz	VQUOXJSYYUENBE-KAMYIIQDSA-N	1	1	239.706	1.293	40	30		BDEBMO
C#CCC[N@H+](C)[C@H](C)Cc1cccnc1	ZINC000022066118	166134333	/nfs/dbraw/zinc/13/43/33/166134333.db2.gz	BARYOSPPJCHJAO-GFCCVEGCSA-N	1	1	202.301	1.968	40	30	in-vitro	BDEBMO
CCNC(=O)N1CC[NH+](CCCCC#N)CC1	ZINC000076553867	170074054	/nfs/dbraw/zinc/07/40/54/170074054.db2.gz	PYSWPTYNVGYXHF-UHFFFAOYSA-N	1	1	238.335	1.027	40	30		BDEBMO
C[C@H]1CNCC[N@@H+]1CCCCCCC#N	ZINC000067799284	177284145	/nfs/dbraw/zinc/28/41/45/177284145.db2.gz	MAVOZJJJGVNXOK-LBPRGKRZSA-N	1	1	209.337	1.754	40	30		BDEBMO
C[C@H]1CNCC[N@H+]1CCCCCCC#N	ZINC000067799284	177284146	/nfs/dbraw/zinc/28/41/46/177284146.db2.gz	MAVOZJJJGVNXOK-LBPRGKRZSA-N	1	1	209.337	1.754	40	30		BDEBMO
Cc1cc(C#N)cnc1N1CC[NH+](C)CC1	ZINC000072222553	259320757	/nfs/dbraw/zinc/32/07/57/259320757.db2.gz	YMPYEPAXFYURBU-UHFFFAOYSA-N	1	1	216.288	1.014	40	30		BDEBMO
[NH3+][C@H]1C=CC(=O)c2nc(-c3cccs3)nn21	ZINC000575602837	343591680	/nfs/dbraw/zinc/59/16/80/343591680.db2.gz	STIUERFTKFYCML-MRVPVSSYSA-N	1	1	232.268	1.216	40	30		BDEBMO
Cc1[nH+]ccn1[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000005642175	346629038	/nfs/dbraw/zinc/62/90/38/346629038.db2.gz	MDLXDHLELOXKBA-HGSASVAXSA-N	1	1	205.261	1.993	40	30		BDEBMO
CC(C)(C)OC(=O)c1ccc([C@@H]([NH3+])C=O)cc1	ZINC000604937801	352389333	/nfs/dbraw/zinc/38/93/33/352389333.db2.gz	SCPOOUZYZUGONV-NSHDSACASA-N	1	1	235.283	1.841	40	30		BDEBMO
C=C[C@H]1[C@@H](C(=O)Nc2ccccc2)C[N@@H+]1C	ZINC000005064108	188225427	/nfs/dbraw/zinc/22/54/27/188225427.db2.gz	IRXXHPHZAMIKON-RYUDHWBXSA-N	1	1	216.284	1.741	40	30		BDEBMO
N#Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000022763314	181103824	/nfs/dbraw/zinc/10/38/24/181103824.db2.gz	YRMLYZYGBMZMGW-OAHLLOKOSA-N	1	1	241.338	1.838	40	30		BDEBMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000038538973	181105348	/nfs/dbraw/zinc/10/53/48/181105348.db2.gz	HMOUQMPABXBVFZ-GFCCVEGCSA-N	1	1	202.257	1.125	40	30		BDEBMO
[NH3+]C/C(=N/O)c1ccc2ccccc2c1	ZINC000016941272	181323898	/nfs/dbraw/zinc/32/38/98/181323898.db2.gz	YCIAVKKYOYVBMO-OWBHPGMISA-N	1	1	200.241	1.977	40	30		BDEBMO
C=CCOC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000006375394	386823697	/nfs/dbraw/zinc/82/36/97/386823697.db2.gz	HNETUZWEGUBQHT-ZDUSSCGKSA-N	1	1	227.348	1.814	40	30		BDEBMO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccoc1	ZINC000096184333	166358603	/nfs/dbraw/zinc/35/86/03/166358603.db2.gz	HRHCAWNEAFSJHD-QWHCGFSZSA-N	1	1	246.310	1.754	40	30		BDEBMO
C=CC[N@H+]1Cc2c(cnn2C)[C@H](COC)C1	ZINC000096068254	166361602	/nfs/dbraw/zinc/36/16/02/166361602.db2.gz	LPUPKMGQZCHHII-JTQLQIEISA-N	1	1	221.304	1.152	40	30		BDEBMO
C[N@H+]1CCC[C@H](C=O)[C@@H]1c1cccnc1	ZINC000096515814	173039504	/nfs/dbraw/zinc/03/95/04/173039504.db2.gz	KVAYLFGLTIJXOZ-NEPJUHHUSA-N	1	1	204.273	1.663	40	30		BDEBMO
COc1ccccc1-c1csc(NC(N)=[NH2+])n1	ZINC000020275114	175310136	/nfs/dbraw/zinc/31/01/36/175310136.db2.gz	LLSWLZYANQRDTN-UHFFFAOYSA-N	1	1	248.311	1.724	40	30		BDEBMO
CCN(CC)CC[NH2+]CC#Cc1ccccc1	ZINC000022075931	136278164	/nfs/dbraw/zinc/27/81/64/136278164.db2.gz	CQFDFPZOGLYLQV-UHFFFAOYSA-N	1	1	230.355	1.970	40	30		BDEBMO
CC1(C)OC[C@H](C[N+](=O)Cc2ccccc2)O1	ZINC000100099064	187629650	/nfs/dbraw/zinc/62/96/50/187629650.db2.gz	SBWVZNCDVKIVPK-IGVUGNCQSA-N	1	1	235.283	1.919	40	30		BDEBMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1	ZINC000015260708	181103692	/nfs/dbraw/zinc/10/36/92/181103692.db2.gz	HZSLDZRQZSKBKA-CQSZACIVSA-N	1	1	230.311	1.763	40	30		BDEBMO
C=CCn1ncc(C[N@H+]2CC[C@H](CO)C2)c1C	ZINC000013570106	385351824	/nfs/dbraw/zinc/35/18/24/385351824.db2.gz	YXZQJXLLNFZGAX-LBPRGKRZSA-N	1	1	235.331	1.192	40	30		BDEBMO
C=CCn1ncc(C[N@H+]2CCC[C@H](CO)C2)c1C	ZINC000072397844	385923845	/nfs/dbraw/zinc/92/38/45/385923845.db2.gz	SAOOJVZRXJBWSR-ZDUSSCGKSA-N	1	1	249.358	1.582	40	30		BDEBMO
C=CCOC[C@@H](O)C[N@H+](C)CCCC	ZINC000001640257	386642872	/nfs/dbraw/zinc/64/28/72/386642872.db2.gz	PROKNPGXDURANR-NSHDSACASA-N	1	1	201.310	1.282	40	30		BDEBMO
CC(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1	ZINC000199883522	566471850	/nfs/dbraw/zinc/47/18/50/566471850.db2.gz	KVBXIOBAWAOKKO-NSHDSACASA-N	1	1	220.228	1.681	40	30		BDEBMO
CC[N@H+]1CCC[C@@H](Oc2nccnc2C#N)C1	ZINC000096530033	343761580	/nfs/dbraw/zinc/76/15/80/343761580.db2.gz	UCLJYYIKMYYZMG-SNVBAGLBSA-N	1	1	232.287	1.211	40	30		BDEBMO
N#CCCCC[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1	ZINC000074993845	384038402	/nfs/dbraw/zinc/03/84/02/384038402.db2.gz	CXKSZLDEFRQWJK-FNFFVJSTSA-N	1	1	220.316	1.789	40	30		BDEBMO
O/N=C1/CCC=CCC[C@@H]1[NH+]1CCOCC1	ZINC000016136410	384453763	/nfs/dbraw/zinc/45/37/63/384453763.db2.gz	BXSRHSKFDYXSCZ-WYTWTNIASA-N	1	1	224.304	1.648	40	30		BDEBMO
c1ccc(C[N@@H+]2CC[C@H](OC[C@@H]3CO3)C2)cc1	ZINC000095095887	385148205	/nfs/dbraw/zinc/14/82/05/385148205.db2.gz	SYSOBSUBLWSICT-UONOGXRCSA-N	1	1	233.311	1.676	40	30		BDEBMO
c1ccc(C[N@H+]2CC[C@H]([C@H]3CO3)C2)cc1	ZINC000252515328	388653866	/nfs/dbraw/zinc/65/38/66/388653866.db2.gz	IUMMLOACSOTXSI-QWHCGFSZSA-N	1	1	203.285	1.907	40	30		BDEBMO
c1ccc(C[N@H+]2CC[C@@H]([C@H]3CO3)C2)cc1	ZINC000252515327	388654123	/nfs/dbraw/zinc/65/41/23/388654123.db2.gz	IUMMLOACSOTXSI-CHWSQXEVSA-N	1	1	203.285	1.907	40	30		BDEBMO
C[C@H]1C[NH+]([C@@H]2CCC/C2=N/O)C[C@H](C)O1	ZINC000100964920	134830092	/nfs/dbraw/zinc/83/00/92/134830092.db2.gz	KOGWRFDTZPLOTK-DSHQRIBQSA-N	1	1	212.293	1.478	40	30		BDEBMO
C#CCC[N@H+](C)[C@@H](C)Cc1cccnc1	ZINC000022066115	166135080	/nfs/dbraw/zinc/13/50/80/166135080.db2.gz	BARYOSPPJCHJAO-LBPRGKRZSA-N	1	1	202.301	1.968	40	30	in-vitro	BDEBMO
CC(C)[N@@H+](CCO)Cc1ccccc1C#N	ZINC000049825115	411298149	/nfs/dbraw/zinc/29/81/49/411298149.db2.gz	DDNSSMXLHAYUSR-UHFFFAOYSA-N	1	1	218.300	1.761	40	30		BDEBMO
COc1ccccc1/C=C/C(=O)[C@H]1COC[NH2+]1	ZINC000038187204	175314296	/nfs/dbraw/zinc/31/42/96/175314296.db2.gz	BAVZROYHOCSCFZ-XUIVZRPNSA-N	1	1	233.267	1.223	40	30		BDEBMO
COc1ccccc1/C=C\C(=O)[C@H]1COC[NH2+]1	ZINC000073296600	175315570	/nfs/dbraw/zinc/31/55/70/175315570.db2.gz	BAVZROYHOCSCFZ-JMEBYUIHSA-N	1	1	233.267	1.223	40	30		BDEBMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]2O[C@@H]21	ZINC000252506366	259326273	/nfs/dbraw/zinc/32/62/73/259326273.db2.gz	WAJZNQCSIZHBAX-KGYLQXTDSA-N	1	1	203.285	1.906	40	30		BDEBMO
CC(C)(C)OC(=O)c1ccc([C@H]([NH3+])C=O)cc1	ZINC000604937800	352389657	/nfs/dbraw/zinc/38/96/57/352389657.db2.gz	SCPOOUZYZUGONV-LLVKDONJSA-N	1	1	235.283	1.841	40	30		BDEBMO
C#CC[N@H+](C)Cc1ccc2c(c1O)OCO2	ZINC000039149936	384903604	/nfs/dbraw/zinc/90/36/04/384903604.db2.gz	PCSQOANOCZFWDX-UHFFFAOYSA-N	1	1	219.240	1.186	40	30		BDEBMO
Cc1ccc(/C=N/N2CC[NH+](C)CC2)cc1	ZINC000008302456	178357408	/nfs/dbraw/zinc/35/74/08/178357408.db2.gz	CVXLVHYVAOQDLK-SDNWHVSQSA-N	1	1	217.316	1.576	40	30		BDEBMO
O=[N+]([O-])c1ccccc1/C=C\C=[NH+]/n1cnnc1	ZINC000033935095	343262954	/nfs/dbraw/zinc/26/29/54/343262954.db2.gz	NYSKTVRREGDPSR-WCLDZYLVSA-N	1	1	243.226	1.734	40	30		BDEBMO
N#Cc1ccccc1CN1CCC(C[NH3+])CC1	ZINC000044513195	181145159	/nfs/dbraw/zinc/14/51/59/181145159.db2.gz	UXBPNBNYACSNIV-UHFFFAOYSA-N	1	1	229.327	1.729	40	30		BDEBMO
N#C[C@@]1(CO)CC[N@H+](Cc2ccccc2)C1	ZINC000091305018	384117426	/nfs/dbraw/zinc/11/74/26/384117426.db2.gz	QRYMNVQUHVGPCK-ZDUSSCGKSA-N	1	1	216.284	1.395	40	30		BDEBMO
N#C[C@@]1(CO)CC[N@@H+](Cc2ccccc2)C1	ZINC000091305018	384117433	/nfs/dbraw/zinc/11/74/33/384117433.db2.gz	QRYMNVQUHVGPCK-ZDUSSCGKSA-N	1	1	216.284	1.395	40	30		BDEBMO
C=CCOC[C@H](O)C[N@H+](C)CCCC	ZINC000005783475	386816855	/nfs/dbraw/zinc/81/68/55/386816855.db2.gz	PROKNPGXDURANR-LLVKDONJSA-N	1	1	201.310	1.282	40	30		BDEBMO
C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CO1	ZINC000242688118	388400843	/nfs/dbraw/zinc/40/08/43/388400843.db2.gz	VGHVJYWAZOHUPH-AGIUHOORSA-N	1	1	225.332	1.666	40	30		BDEBMO
C=CCNC(=O)[C@H](C)[NH2+]Cc1ccco1	ZINC000004969177	166388694	/nfs/dbraw/zinc/38/86/94/166388694.db2.gz	OXHMDODNMPMECD-VIFPVBQESA-N	1	1	208.261	1.060	40	30		BDEBMO
C[NH+]1CCN(/N=C/c2ccc(F)cc2)CC1	ZINC000003226103	173065123	/nfs/dbraw/zinc/06/51/23/173065123.db2.gz	GQAHXGTUJDQGRX-GXDHUFHOSA-N	1	1	221.279	1.407	40	30		BDEBMO
C[C@@]1(c2ccccc2)CCC(=NNC(N)=[NH2+])NC1	ZINC000004775343	342752050	/nfs/dbraw/zinc/75/20/50/342752050.db2.gz	ICVLISNZYCQEEK-CYBMUJFWSA-N	1	1	245.330	1.124	40	30		BDEBMO
C#Cc1ccc([C@H]2C[C@]2([NH3+])C(=O)OC)cc1	ZINC000242581751	345159500	/nfs/dbraw/zinc/15/95/00/345159500.db2.gz	OEJHOECLGURUEW-DGCLKSJQSA-N	1	1	215.252	1.026	40	30		BDEBMO
C[N@H+]1CCC[C@@H](C=O)[C@H]1c1cccnc1	ZINC000110754785	369974440	/nfs/dbraw/zinc/97/44/40/369974440.db2.gz	KVAYLFGLTIJXOZ-NWDGAFQWSA-N	1	1	204.273	1.663	40	30		BDEBMO
C=CCC1([N@@H+](CCO)Cc2ccccc2)COC1	ZINC000306145479	385253023	/nfs/dbraw/zinc/25/30/23/385253023.db2.gz	GODHKWJVOBFESY-UHFFFAOYSA-N	1	1	247.338	1.826	40	30		BDEBMO
CC(C)[N@@H+](CCO)Cc1cccc(C#N)c1	ZINC000049857630	387271472	/nfs/dbraw/zinc/27/14/72/387271472.db2.gz	WTNIJVIBNAMCHX-UHFFFAOYSA-N	1	1	218.300	1.761	40	30		BDEBMO
N#Cc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000038538870	388404804	/nfs/dbraw/zinc/40/48/04/388404804.db2.gz	XHSBPUZJUGKTEG-LBPRGKRZSA-N	1	1	202.257	1.125	40	30		BDEBMO
Cc1[nH+]ccn1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000005642173	346628778	/nfs/dbraw/zinc/62/87/78/346628778.db2.gz	MDLXDHLELOXKBA-WUQWAXGUSA-N	1	1	205.261	1.993	40	30		BDEBMO
N#Cc1ccc(C[N@H+](CCO)C2CC2)cc1	ZINC000048065320	181102538	/nfs/dbraw/zinc/10/25/38/181102538.db2.gz	MWQNRBKPYJFEES-UHFFFAOYSA-N	1	1	216.284	1.515	40	30		BDEBMO
C[NH+]1CCN(/C=C/C(=O)c2ccccc2)CC1	ZINC000024716719	173065067	/nfs/dbraw/zinc/06/50/67/173065067.db2.gz	TWASTAPFCBOUHF-BQYQJAHWSA-N	1	1	230.311	1.630	40	30		BDEBMO
C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1	ZINC000096184219	173135334	/nfs/dbraw/zinc/13/53/34/173135334.db2.gz	SRMUXSFASIGTPI-LSDHHAIUSA-N	1	1	241.338	1.837	40	30		BDEBMO
OC[C@H]1CCCC[N@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016138009	136274997	/nfs/dbraw/zinc/27/49/97/136274997.db2.gz	NNCGJXHCTDUHAH-UQOJHRKSSA-N	1	1	238.331	1.462	40	30		BDEBMO
[N-]=[N+]=Nc1ccc2[nH+]c(N)nc(N)c2c1	ZINC000017109067	347232842	/nfs/dbraw/zinc/23/28/42/347232842.db2.gz	DGWQDPLZGIMZQD-UHFFFAOYSA-N	1	1	201.193	1.736	40	30		BDEBMO
CC[NH+](CC)[C@@H]1C(=O)N[C@H]1C#Cc1ccccc1	ZINC000001651621	355910240	/nfs/dbraw/zinc/91/02/40/355910240.db2.gz	CNJGEBDMMZACBG-KBPBESRZSA-N	1	1	242.322	1.247	40	30		BDEBMO
C#CC[N@H+](C)Cc1ccc2c(c1)OCO2	ZINC000032154613	356696934	/nfs/dbraw/zinc/69/69/34/356696934.db2.gz	SGRNTWZMVNGHLS-UHFFFAOYSA-N	1	1	203.241	1.480	40	30		BDEBMO
CC(C)(C)NN=C1NC(=[NH2+])c2ccccc21	ZINC000070503734	383931087	/nfs/dbraw/zinc/93/10/87/383931087.db2.gz	QWSGBQJFCFCUNQ-UHFFFAOYSA-N	1	1	216.288	1.455	40	30		BDEBMO
Cc1c(C#N)c(Cl)nc2c1C[N@@H+](C)CC2	ZINC000096511123	385250529	/nfs/dbraw/zinc/25/05/29/385250529.db2.gz	OCYCNCZSZKGBGG-UHFFFAOYSA-N	1	1	221.691	1.903	40	30		BDEBMO
C=CCn1ncc(C[N@H+]2CC[C@@H](CO)C2)c1C	ZINC000013570104	385352217	/nfs/dbraw/zinc/35/22/17/385352217.db2.gz	YXZQJXLLNFZGAX-GFCCVEGCSA-N	1	1	235.331	1.192	40	30		BDEBMO
C#Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000114135151	388591620	/nfs/dbraw/zinc/59/16/20/388591620.db2.gz	OZKXSTLYLNSXRE-UHFFFAOYSA-N	1	1	201.269	1.500	40	30		BDEBMO
C[C@@H]1C[NH+]([C@H]2CCC/C2=N/O)C[C@@H](C)O1	ZINC000137451329	388561293	/nfs/dbraw/zinc/56/12/93/388561293.db2.gz	KOGWRFDTZPLOTK-NGYIJTTASA-N	1	1	212.293	1.478	40	30		BDEBMO
CC[N@H+]1CCc2nc(Cl)c(C#N)cc2C1	ZINC000062720767	388655601	/nfs/dbraw/zinc/65/56/01/388655601.db2.gz	JJNOSFBCPPJWNM-UHFFFAOYSA-N	1	1	221.691	1.985	40	30		BDEBMO
COc1ccccc1/C=C/C(=O)[C@@H]1COC[NH2+]1	ZINC000038187203	175313544	/nfs/dbraw/zinc/31/35/44/175313544.db2.gz	BAVZROYHOCSCFZ-MLRMMBSGSA-N	1	1	233.267	1.223	40	30		BDEBMO
c1ccc(CC[N@H+]2CC[C@H]3O[C@H]3C2)cc1	ZINC000242688424	259326180	/nfs/dbraw/zinc/32/61/80/259326180.db2.gz	VPVIXOOQCRNCHK-OLZOCXBDSA-N	1	1	203.285	1.702	40	30		BDEBMO
N#Cc1cccc(C[N@@H+]2CC[C@H]3NC(=O)C[C@@H]32)c1	ZINC000096183744	188321696	/nfs/dbraw/zinc/32/16/96/188321696.db2.gz	OVNLZVYUXONNGM-OLZOCXBDSA-N	1	1	241.294	1.021	40	30		BDEBMO
[NH3+]C/C(=N\O)c1ccc2ccccc2c1	ZINC000005552722	181324905	/nfs/dbraw/zinc/32/49/05/181324905.db2.gz	YCIAVKKYOYVBMO-WYMLVPIESA-N	1	1	200.241	1.977	40	30		BDEBMO
C#CCn1c[nH+]c(-c2ccc(F)cc2)c1N	ZINC000100761251	166207429	/nfs/dbraw/zinc/20/74/29/166207429.db2.gz	SMQAEUZBMMSYES-UHFFFAOYSA-N	1	1	215.231	1.905	40	30		BDEBMO
C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccco1	ZINC000004969178	166382283	/nfs/dbraw/zinc/38/22/83/166382283.db2.gz	OXHMDODNMPMECD-SECBINFHSA-N	1	1	208.261	1.060	40	30		BDEBMO
C=CCOC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000001640255	166421542	/nfs/dbraw/zinc/42/15/42/166421542.db2.gz	HNETUZWEGUBQHT-CYBMUJFWSA-N	1	1	227.348	1.814	40	30		BDEBMO
c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CO3)C2)cc1	ZINC000217533604	411181273	/nfs/dbraw/zinc/18/12/73/411181273.db2.gz	IUMMLOACSOTXSI-OLZOCXBDSA-N	1	1	203.285	1.907	40	30		BDEBMO
CCOC(=O)[C@@]1(C)O[C@@]12C[C@H](C)[N@@H+](C)C[C@@H]2C	ZINC000005253532	170262699	/nfs/dbraw/zinc/26/26/99/170262699.db2.gz	NUSPFIPXZQKSOH-YRRQLQLVSA-N	1	1	241.331	1.437	40	30		BDEBMO
C[NH+]1CCN(/N=C/c2cccc(Cl)c2)CC1	ZINC000003225505	173065365	/nfs/dbraw/zinc/06/53/65/173065365.db2.gz	PFBROYNJDXFSCD-GXDHUFHOSA-N	1	1	237.734	1.921	40	30		BDEBMO
C[N@H+]1CCc2nc(Cl)c(C#N)cc2C1	ZINC000062720764	173173581	/nfs/dbraw/zinc/17/35/81/173173581.db2.gz	HUNBSCGFAVDODA-UHFFFAOYSA-N	1	1	207.664	1.595	40	30		BDEBMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]2O[C@H]21	ZINC000252506368	259325938	/nfs/dbraw/zinc/32/59/38/259325938.db2.gz	WAJZNQCSIZHBAX-RTXFEEFZSA-N	1	1	203.285	1.906	40	30		BDEBMO
Cc1cc(/C=N/CCC[NH+]2CCOCC2)ccn1	ZINC000038954514	343380732	/nfs/dbraw/zinc/38/07/32/343380732.db2.gz	CGKPAXBRIWFOOH-NTCAYCPXSA-N	1	1	247.342	1.531	40	30		BDEBMO
C=C[C@H]1[C@H](C(=O)Nc2ccccc2)C[N@@H+]1C	ZINC000001692654	355910248	/nfs/dbraw/zinc/91/02/48/355910248.db2.gz	IRXXHPHZAMIKON-NEPJUHHUSA-N	1	1	216.284	1.741	40	30		BDEBMO
N#Cc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1	ZINC000079439219	181108547	/nfs/dbraw/zinc/10/85/47/181108547.db2.gz	IXLABWAWHXNGCL-CQSZACIVSA-N	1	1	229.327	1.647	40	30		BDEBMO
C#CCn1c[nH+]c(-c2ccccc2F)c1N	ZINC000100761229	386778629	/nfs/dbraw/zinc/77/86/29/386778629.db2.gz	CCZLMGKCVLJOBM-UHFFFAOYSA-N	1	1	215.231	1.905	40	30		BDEBMO
CCOC(=O)[C@H]1C[N@H+](C)CC2=CC(=O)CC[C@H]21	ZINC000005080271	170282120	/nfs/dbraw/zinc/28/21/20/170282120.db2.gz	BJXZZVJRHFBTCN-NEPJUHHUSA-N	1	1	237.299	1.017	40	30		BDEBMO
CCOC(=O)[C@H]1C[N@@H+](C)CC2=CC(=O)CC[C@H]21	ZINC000005080271	170282121	/nfs/dbraw/zinc/28/21/21/170282121.db2.gz	BJXZZVJRHFBTCN-NEPJUHHUSA-N	1	1	237.299	1.017	40	30		BDEBMO
Cc1cc(Nc2ccc(C#N)cc2)nc(N)[nH+]1	ZINC000001675989	178191856	/nfs/dbraw/zinc/19/18/56/178191856.db2.gz	LDKAFKDCQRUJLA-UHFFFAOYSA-N	1	1	225.255	1.983	40	30		BDEBMO
C=CCOC[C@@H]1C[NH2+]Cc2nnn(CC3CC3)c21	ZINC000107488373	119110962	/nfs/dbraw/zinc/11/09/62/119110962.db2.gz	GCDAJKSTSMTNAY-NSHDSACASA-N	1	1	248.330	1.078	40	30		BDEBMO
C#Cc1ccc([C@H]2C[C@@]2([NH3+])C(=O)OC)cc1	ZINC000242581753	345159838	/nfs/dbraw/zinc/15/98/38/345159838.db2.gz	OEJHOECLGURUEW-YPMHNXCESA-N	1	1	215.252	1.026	40	30		BDEBMO
CC[NH+](CC)[C@@H]1C(=O)N[C@@H]1C#Cc1ccccc1	ZINC000001651619	355910063	/nfs/dbraw/zinc/91/00/63/355910063.db2.gz	CNJGEBDMMZACBG-KGLIPLIRSA-N	1	1	242.322	1.247	40	30		BDEBMO
C[N+](C)(C)c1ccc(/C(C#N)=N\O)cc1	ZINC000017024340	384479600	/nfs/dbraw/zinc/47/96/00/384479600.db2.gz	VIOVZYCFVUICLE-QBFSEMIESA-O	1	1	204.253	1.585	40	30		BDEBMO
CC1(C)OC[C@H](C[N+](=O)Cc2ccccc2)O1	ZINC000004292822	384945543	/nfs/dbraw/zinc/94/55/43/384945543.db2.gz	SBWVZNCDVKIVPK-CJAAZZPWSA-N	1	1	235.283	1.919	40	30		BDEBMO
N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1	ZINC000042222030	388274280	/nfs/dbraw/zinc/27/42/80/388274280.db2.gz	SOHDKKWGVWTHRS-CQSZACIVSA-N	1	1	230.311	1.905	40	30		BDEBMO
C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CO1	ZINC000242688120	388400880	/nfs/dbraw/zinc/40/08/80/388400880.db2.gz	VGHVJYWAZOHUPH-FRRDWIJNSA-N	1	1	225.332	1.666	40	30		BDEBMO
C(#CC[NH+]1CCCCC1)CN1CCCCC1	ZINC000001599822	166225830	/nfs/dbraw/zinc/22/58/30/166225830.db2.gz	IGBKLEILPKRTFQ-UHFFFAOYSA-N	1	1	220.360	1.962	40	30		BDEBMO
C=CCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2CC1CC1	ZINC000096055624	166351473	/nfs/dbraw/zinc/35/14/73/166351473.db2.gz	JMBALFCEJXDGCM-NWDGAFQWSA-N	1	1	220.316	1.258	40	30		BDEBMO
OC[C@@H]1CCCC[N@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016138007	136275066	/nfs/dbraw/zinc/27/50/66/136275066.db2.gz	NNCGJXHCTDUHAH-HENGRXDRSA-N	1	1	238.331	1.462	40	30		BDEBMO
Cc1nc(NC(N)=[NH2+])nc2ccc(Cl)cc12	ZINC000006280268	180005116	/nfs/dbraw/zinc/00/51/16/180005116.db2.gz	ROVKPIHVVRWXAJ-UHFFFAOYSA-N	1	1	235.678	1.497	40	30		BDEBMO
N#Cc1ccc(SC2=[NH+]CCN2)c([N+](=O)[O-])c1	ZINC000006862859	384791403	/nfs/dbraw/zinc/79/14/03/384791403.db2.gz	YCQIFBRLHSAFMT-UHFFFAOYSA-N	1	1	248.267	1.518	40	30		BDEBMO
C#Cc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000226076985	386593196	/nfs/dbraw/zinc/59/31/96/386593196.db2.gz	JEZCZUJKWYMVNA-UHFFFAOYSA-N	1	1	228.339	1.805	40	30		BDEBMO
N#CCCCC[N@H+]1C[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C1	ZINC000195532086	388167850	/nfs/dbraw/zinc/16/78/50/388167850.db2.gz	CXKSZLDEFRQWJK-LPWJVIDDSA-N	1	1	220.316	1.789	40	30		BDEBMO
N#CCCCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1	ZINC000195532085	388168117	/nfs/dbraw/zinc/16/81/17/388168117.db2.gz	CXKSZLDEFRQWJK-MPZDIEGVSA-N	1	1	220.316	1.789	40	30		BDEBMO
CCc1nccn1[C@H]1CCC[N@@H+](C[C@H]2CO2)C1	ZINC000242548061	388399684	/nfs/dbraw/zinc/39/96/84/388399684.db2.gz	LBACWQHVIOANBO-RYUDHWBXSA-N	1	1	235.331	1.481	40	30		BDEBMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1	ZINC000089933148	166298292	/nfs/dbraw/zinc/29/82/92/166298292.db2.gz	JZDDUWCUHABRTD-RWMBFGLXSA-N	1	1	227.348	1.406	40	30		BDEBMO
C[N@H+]1CC[C@H](c2nc3cc(C#N)ccc3[nH]2)C1	ZINC000035446852	173157443	/nfs/dbraw/zinc/15/74/43/173157443.db2.gz	KVASDMAGUYUERI-JTQLQIEISA-N	1	1	226.283	1.854	40	30	biogenic,in-vitro	BDEBMO
C[N@@H+]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1	ZINC000035446852	173157444	/nfs/dbraw/zinc/15/74/44/173157444.db2.gz	KVASDMAGUYUERI-JTQLQIEISA-N	1	1	226.283	1.854	40	30	biogenic,in-vitro	BDEBMO
C[N@H+]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1	ZINC000035446852	173157446	/nfs/dbraw/zinc/15/74/46/173157446.db2.gz	KVASDMAGUYUERI-JTQLQIEISA-N	1	1	226.283	1.854	40	30	biogenic,in-vitro	BDEBMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1ccc(C#N)cn1)C2	ZINC000075061360	173207186	/nfs/dbraw/zinc/20/71/86/173207186.db2.gz	WPHDVDDZTLKMEA-QWHCGFSZSA-N	1	1	242.326	1.626	40	30		BDEBMO
c1ccc(C[N@@H+]2CC[C@@H](OC[C@@H]3CO3)C2)cc1	ZINC000095095888	385148850	/nfs/dbraw/zinc/14/88/50/385148850.db2.gz	SYSOBSUBLWSICT-ZIAGYGMSSA-N	1	1	233.311	1.676	40	30		BDEBMO
C=CC[N@@H+]1CCC2(CN(Cc3cccn3C)C2)C1	ZINC000096202490	166352166	/nfs/dbraw/zinc/35/21/66/166352166.db2.gz	KTZIAVKFQGUGRY-UHFFFAOYSA-N	1	1	245.370	1.719	40	30		BDEBMO
COc1cccc(/C=N/N2CC[NH+](C)CC2)c1	ZINC000003225496	175240398	/nfs/dbraw/zinc/24/03/98/175240398.db2.gz	FQTLWCOBUPFDSK-SDNWHVSQSA-N	1	1	233.315	1.277	40	30		BDEBMO
c1ccc(CC[N@H+]2CC[C@@H]3O[C@@H]3C2)cc1	ZINC000118233887	345285048	/nfs/dbraw/zinc/28/50/48/345285048.db2.gz	VPVIXOOQCRNCHK-QWHCGFSZSA-N	1	1	203.285	1.702	40	30		BDEBMO
N#Cc1ccccc1C[N@@H+]1CCC[C@H](CO)C1	ZINC000016337909	181145672	/nfs/dbraw/zinc/14/56/72/181145672.db2.gz	IWONZNMPDKMWRJ-LBPRGKRZSA-N	1	1	230.311	1.763	40	30		BDEBMO
O=[N+]([O-])c1ccccc1/C=C\C=[NH+]\n1cnnc1	ZINC000028349910	182947680	/nfs/dbraw/zinc/94/76/80/182947680.db2.gz	NYSKTVRREGDPSR-QBAARWIOSA-N	1	1	243.226	1.734	40	30		BDEBMO
CCCCn1c(C#N)cc(N)c1[NH+](C)C	ZINC000225863342	169033142	/nfs/dbraw/zinc/03/31/42/169033142.db2.gz	DFCAXFIEIPMHNQ-UHFFFAOYSA-N	1	1	206.293	1.808	40	30		BDEBMO
C=CCOCc1ncn2c1C[N@@H+](CC1CC1)CC2	ZINC000096094727	386587634	/nfs/dbraw/zinc/58/76/34/386587634.db2.gz	GFEUGHDFOPFABJ-UHFFFAOYSA-N	1	1	247.342	1.811	40	30		BDEBMO
CC(C)[N@@H+](CCO)Cc1ccc(C#N)cc1	ZINC000049802011	387054090	/nfs/dbraw/zinc/05/40/90/387054090.db2.gz	LUHYOXIMZWOZLJ-UHFFFAOYSA-N	1	1	218.300	1.761	40	30		BDEBMO
CC(C)Cn1c(C#N)cc(N)c1[NH+](C)C	ZINC000225863362	388848374	/nfs/dbraw/zinc/84/83/74/388848374.db2.gz	LPNKSIWWDWVELK-UHFFFAOYSA-N	1	1	206.293	1.664	40	30		BDEBMO
C[NH+](C)c1c(N)cc(C#N)n1C[C@H]1CCCO1	ZINC000225863486	388848433	/nfs/dbraw/zinc/84/84/33/388848433.db2.gz	RDJDHSNUCMCKLW-SNVBAGLBSA-N	1	1	234.303	1.187	40	30		BDEBMO
C=CCN1C[C@@H]2C[N@H+]([C@H](C)CC)C[C@@H]2C1=O	ZINC000096245008	166361752	/nfs/dbraw/zinc/36/17/52/166361752.db2.gz	HVMCUILSZFLJOO-UTUOFQBUSA-N	1	1	222.332	1.361	40	30		BDEBMO
C=CCNC(=O)c1cncc([C@H]2CCC[N@H+]2C)n1	ZINC000257218100	166395663	/nfs/dbraw/zinc/39/56/63/166395663.db2.gz	DBXCOFRNQZPHMW-GFCCVEGCSA-N	1	1	246.314	1.159	40	30		BDEBMO
C=CCNC(=O)c1cncc([C@H]2CCC[N@@H+]2C)n1	ZINC000257218100	166395664	/nfs/dbraw/zinc/39/56/64/166395664.db2.gz	DBXCOFRNQZPHMW-GFCCVEGCSA-N	1	1	246.314	1.159	40	30		BDEBMO
CCOC(=O)[C@@H]1C[N@H+](C)CC2=CC(=O)CC[C@H]21	ZINC000001714069	170259091	/nfs/dbraw/zinc/25/90/91/170259091.db2.gz	BJXZZVJRHFBTCN-VXGBXAGGSA-N	1	1	237.299	1.017	40	30		BDEBMO
CCOC(=O)[C@@H]1C[N@@H+](C)CC2=CC(=O)CC[C@H]21	ZINC000001714069	170259092	/nfs/dbraw/zinc/25/90/92/170259092.db2.gz	BJXZZVJRHFBTCN-VXGBXAGGSA-N	1	1	237.299	1.017	40	30		BDEBMO
CCOC(=O)[C@]1(C)O[C@@]12C[C@@H](C)[N@@H+](C)C[C@@H]2C	ZINC000013786509	170285970	/nfs/dbraw/zinc/28/59/70/170285970.db2.gz	NUSPFIPXZQKSOH-JULQROHOSA-N	1	1	241.331	1.437	40	30		BDEBMO
CN(C)/N=C/c1cccc(/C=[NH+]/N(C)C)c1	ZINC000003132112	172352072	/nfs/dbraw/zinc/35/20/72/172352072.db2.gz	AJVDKYMLZAOGGB-UTLPMFLDSA-N	1	1	218.304	1.478	40	30		BDEBMO
N#Cc1cccc(C[N@H+](CCO)C2CC2)c1	ZINC000048065178	342796170	/nfs/dbraw/zinc/79/61/70/342796170.db2.gz	IDTFJORFAGRPLX-UHFFFAOYSA-N	1	1	216.284	1.515	40	30		BDEBMO
C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CO1	ZINC000095095881	385148086	/nfs/dbraw/zinc/14/80/86/385148086.db2.gz	VGHVJYWAZOHUPH-XQQFMLRXSA-N	1	1	225.332	1.666	40	30		BDEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC1	ZINC000096057836	386583298	/nfs/dbraw/zinc/58/32/98/386583298.db2.gz	XHFWYRQEXFUYSW-BFHYXJOUSA-N	1	1	237.343	1.831	40	30		BDEBMO
N#Cc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000038538872	388404875	/nfs/dbraw/zinc/40/48/75/388404875.db2.gz	XHSBPUZJUGKTEG-GFCCVEGCSA-N	1	1	202.257	1.125	40	30		BDEBMO
Cc1nccn1[C@H]1CCC[N@@H+](C[C@H]2CO2)C1	ZINC000242548481	388399574	/nfs/dbraw/zinc/39/95/74/388399574.db2.gz	LMWGTGDTFNJUHL-RYUDHWBXSA-N	1	1	221.304	1.227	40	30		BDEBMO
CC[C@H](C)n1c(C#N)cc(N)c1[NH+](C)C	ZINC000225863396	388848213	/nfs/dbraw/zinc/84/82/13/388848213.db2.gz	JCNXMWLSJZIISJ-QMMMGPOBSA-N	1	1	206.293	1.979	40	30		BDEBMO
c1ccc(C[N@H+]2CC[C@H]([C@@H]3CO3)C2)cc1	ZINC000217533529	411181542	/nfs/dbraw/zinc/18/15/42/411181542.db2.gz	IUMMLOACSOTXSI-STQMWFEESA-N	1	1	203.285	1.907	40	30		BDEBMO
CC[N@H+]1CCC[C@H](Oc2nccnc2C#N)C1	ZINC000096530031	343761417	/nfs/dbraw/zinc/76/14/17/343761417.db2.gz	UCLJYYIKMYYZMG-JTQLQIEISA-N	1	1	232.287	1.211	40	30		BDEBMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1	ZINC000089933146	166298485	/nfs/dbraw/zinc/29/84/85/166298485.db2.gz	JZDDUWCUHABRTD-YNEHKIRRSA-N	1	1	227.348	1.406	40	30		BDEBMO
CC(C)(C=NO)N[N+](=O)C(C)(C)C=NO	ZINC000002294708	384565499	/nfs/dbraw/zinc/56/54/99/384565499.db2.gz	IUZOTYLWUPOGAH-UQJNHALASA-N	1	1	216.241	1.426	40	30		BDEBMO
CC[NH+](CC)[C@H]1C(=O)N[C@H]1C#Cc1ccccc1	ZINC000001651622	397935999	/nfs/dbraw/zinc/93/59/99/397935999.db2.gz	CNJGEBDMMZACBG-UONOGXRCSA-N	1	1	242.322	1.247	40	30		BDEBMO
C=CCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1ccoc1	ZINC000096055612	166351279	/nfs/dbraw/zinc/35/12/79/166351279.db2.gz	RAGBAWRDLQLOBD-QWHCGFSZSA-N	1	1	246.310	1.641	40	30		BDEBMO
C=CCN1CC[N@H+](CC)Cc2cccnc21	ZINC000096198891	166354924	/nfs/dbraw/zinc/35/49/24/166354924.db2.gz	PGRMAFVVNNXFRY-UHFFFAOYSA-N	1	1	217.316	1.910	40	30		BDEBMO
C[N@H+]1CCc2[nH]c(=S)c(C#N)cc2C1	ZINC000005343344	173168780	/nfs/dbraw/zinc/16/87/80/173168780.db2.gz	WKHDSLWYTOIAGN-UHFFFAOYSA-N	1	1	205.286	1.604	40	30		BDEBMO
COc1ccccc1/C=C\C(=O)[C@@H]1COC[NH2+]1	ZINC000073296598	175315326	/nfs/dbraw/zinc/31/53/26/175315326.db2.gz	BAVZROYHOCSCFZ-ZADCQDASSA-N	1	1	233.267	1.223	40	30		BDEBMO
C[C@@H]1C[N@H+]([C@@H]2CCC/C2=N/O)C[C@H](C)O1	ZINC000100964918	177274681	/nfs/dbraw/zinc/27/46/81/177274681.db2.gz	KOGWRFDTZPLOTK-KTTKTODOSA-N	1	1	212.293	1.478	40	30		BDEBMO
C[C@@H]1C[N@@H+]([C@@H]2CCC/C2=N/O)C[C@H](C)O1	ZINC000100964918	177274682	/nfs/dbraw/zinc/27/46/82/177274682.db2.gz	KOGWRFDTZPLOTK-KTTKTODOSA-N	1	1	212.293	1.478	40	30		BDEBMO