smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1(CC)CC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000820958490	945598980	/nfs/dbraw/zinc/59/89/80/945598980.db2.gz	WCFIDRNUCVPFJQ-UHFFFAOYSA-N	1	0	371.445	1.140	20	50		FDGDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000824199622	607464399	/nfs/dbraw/zinc/46/43/99/607464399.db2.gz	KEVOGQMEVITHSS-HNNXBMFYSA-N	1	0	359.434	1.103	20	50		FDGDRO
CCC(CC)(CC)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825089341	607925069	/nfs/dbraw/zinc/92/50/69/607925069.db2.gz	DLKQQJJXGQHMMW-UHFFFAOYSA-N	1	0	359.434	1.186	20	50		FDGDRO
CC[N@@H+]1CCC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1	ZINC000736564433	944843678	/nfs/dbraw/zinc/84/36/78/944843678.db2.gz	BFYCHDWJFBHTRL-LBPRGKRZSA-N	1	0	357.418	1.079	20	50		FDGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)NC1CC[NH+](C2CCCC2)CC1	ZINC000823281807	606386532	/nfs/dbraw/zinc/38/65/32/606386532.db2.gz	YFRIRCWXMUCSOO-UHFFFAOYSA-N	1	0	370.461	1.900	20	50		FDGDRO
CC(C)[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1	ZINC000735690300	944691240	/nfs/dbraw/zinc/69/12/40/944691240.db2.gz	IWGICOYARMBVBL-OAHLLOKOSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736535266	944842014	/nfs/dbraw/zinc/84/20/14/944842014.db2.gz	WDRRBQJUPXUOOJ-AAWHYMEISA-N	1	0	370.461	1.267	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212140	944990906	/nfs/dbraw/zinc/99/09/06/944990906.db2.gz	HWYUZYZXGUSQDL-MWMICKBXSA-N	1	0	368.445	1.020	20	50		FDGDRO
C[C@H](C[NH+]1CCCCC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736582721	978344038	/nfs/dbraw/zinc/34/40/38/978344038.db2.gz	NKMMUARBPODIJY-OAHLLOKOSA-N	1	0	352.479	1.541	20	50		FDGDRO
CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000824261157	607514447	/nfs/dbraw/zinc/51/44/47/607514447.db2.gz	CNUPDFZMTHJWHT-AWEZNQCLSA-N	1	0	372.477	1.861	20	50		FDGDRO
Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NNc1cc[nH+]cc1	ZINC000826340495	609172574	/nfs/dbraw/zinc/17/25/74/609172574.db2.gz	AGNDNTUFGQVOJO-UHFFFAOYSA-N	1	0	350.342	1.133	20	50		FDGDRO
CCC[NH+](CCC)CCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736472987	944830784	/nfs/dbraw/zinc/83/07/84/944830784.db2.gz	FSICXPNZFFOWOJ-UHFFFAOYSA-N	1	0	373.461	1.530	20	50		FDGDRO
CCCN(CC[NH+](C)C)C(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000821099617	945636133	/nfs/dbraw/zinc/63/61/33/945636133.db2.gz	LJWQFEIBEHONCC-XNTDXEJSSA-N	1	0	370.461	1.221	20	50		FDGDRO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000824261113	607782036	/nfs/dbraw/zinc/78/20/36/607782036.db2.gz	AQDBSJKEVAPNBT-OAHLLOKOSA-N	1	0	358.450	1.613	20	50		FDGDRO
C[N@@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1Br	ZINC000139237914	671849118	/nfs/dbraw/zinc/84/91/18/671849118.db2.gz	UMEYYMVWXQZDAG-JTQLQIEISA-N	1	0	355.236	1.487	20	50		FDGDRO
O=C(CCl)Nc1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967506	722074938	/nfs/dbraw/zinc/07/49/38/722074938.db2.gz	SKITYNWDEXUVOY-OKILXGFUSA-N	1	0	350.850	1.558	20	50		FDGDRO
C[NH+](C)CC[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)(C)C	ZINC000736758636	944883216	/nfs/dbraw/zinc/88/32/16/944883216.db2.gz	HOMYRRPDJSHHPN-AWEZNQCLSA-N	1	0	360.466	1.859	20	50		FDGDRO
C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000820261325	945401336	/nfs/dbraw/zinc/40/13/36/945401336.db2.gz	MWIOMZZNKJZVIK-GFCCVEGCSA-N	1	0	361.475	1.890	20	50		FDGDRO
O=C(NNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1cccc(-c2nn[nH]n2)c1	ZINC000826444529	607462762	/nfs/dbraw/zinc/46/27/62/607462762.db2.gz	KEOZVVPWCAIYLO-HNNXBMFYSA-N	1	0	369.429	1.035	20	50		FDGDRO
O=C(NNc1cc[nH+]cc1)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1	ZINC000826449803	609172964	/nfs/dbraw/zinc/17/29/64/609172964.db2.gz	KISPFOBSNJCRBF-UHFFFAOYSA-N	1	0	374.364	1.628	20	50		FDGDRO
C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1Br	ZINC000139237785	671849169	/nfs/dbraw/zinc/84/91/69/671849169.db2.gz	UMEYYMVWXQZDAG-SNVBAGLBSA-N	1	0	355.236	1.487	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820262041	945402698	/nfs/dbraw/zinc/40/26/98/945402698.db2.gz	QVNQWYZXJWWBRT-ZDUSSCGKSA-N	1	0	373.436	1.968	20	50		FDGDRO
CC[NH+](CC)Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)o1	ZINC000821198786	945653137	/nfs/dbraw/zinc/65/31/37/945653137.db2.gz	WCKQWSAOTJMECS-UHFFFAOYSA-N	1	0	357.374	1.658	20	50		FDGDRO
C[C@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824983931	607884289	/nfs/dbraw/zinc/88/42/89/607884289.db2.gz	DFVCCJGNZMLJOT-MCIONIFRSA-N	1	0	371.445	1.062	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824228080	608489075	/nfs/dbraw/zinc/48/90/75/608489075.db2.gz	DRZROSOYOODJMR-VXGBXAGGSA-N	1	0	359.434	1.099	20	50		FDGDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2NC(=O)CCl)C1	ZINC001164732592	720522674	/nfs/dbraw/zinc/52/26/74/720522674.db2.gz	FOCDKCTVLGYTNU-ZDUSSCGKSA-N	1	0	362.865	1.653	20	50		FDGDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(NC(=O)CCl)cn2)C1	ZINC001164733185	720530389	/nfs/dbraw/zinc/53/03/89/720530389.db2.gz	CAAGACIHUDILKO-ZDUSSCGKSA-N	1	0	362.865	1.653	20	50		FDGDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736323192	944801307	/nfs/dbraw/zinc/80/13/07/944801307.db2.gz	VNMSBQMTHRRIMN-ZENNRRHLSA-N	1	0	370.461	1.267	20	50		FDGDRO
O=C(NNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444463	607462759	/nfs/dbraw/zinc/46/27/59/607462759.db2.gz	HOAXRQGKZBULAG-OAHLLOKOSA-N	1	0	369.429	1.035	20	50		FDGDRO
CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824080128	607922113	/nfs/dbraw/zinc/92/21/13/607922113.db2.gz	UYEOVVDPUVHRPT-AWEZNQCLSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(C)[C@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824214440	607923271	/nfs/dbraw/zinc/92/32/71/607923271.db2.gz	GKGJVANXGCBZNN-OAHLLOKOSA-N	1	0	371.445	1.138	20	50		FDGDRO
C[C@H]1CCC[C@H](C)[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824927278	607923339	/nfs/dbraw/zinc/92/33/39/607923339.db2.gz	NKVZVLFYJUYKEG-STQMWFEESA-N	1	0	371.445	1.138	20	50		FDGDRO
CC[C@@H]1CCCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825194078	607923454	/nfs/dbraw/zinc/92/34/54/607923454.db2.gz	OXSADZLEGWKEID-OAHLLOKOSA-N	1	0	371.445	1.282	20	50		FDGDRO
CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000736400981	944814529	/nfs/dbraw/zinc/81/45/29/944814529.db2.gz	UMAMYYCRDPAVQK-OAHLLOKOSA-N	1	0	358.450	1.757	20	50		FDGDRO
CCCN(CC[NH+](C)C)C(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000821099616	945635816	/nfs/dbraw/zinc/63/58/16/945635816.db2.gz	LJWQFEIBEHONCC-GDNBJRDFSA-N	1	0	370.461	1.221	20	50		FDGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000826446535	607356770	/nfs/dbraw/zinc/35/67/70/607356770.db2.gz	PHTWLEJWKFFYDV-KRWDZBQOSA-N	1	0	363.425	1.974	20	50		FDGDRO
C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824925239	607921527	/nfs/dbraw/zinc/92/15/27/607921527.db2.gz	CANRVZRWJJVOPN-IUODEOHRSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(CCCC[NH+](C)C)=NNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000824401242	609275955	/nfs/dbraw/zinc/27/59/55/609275955.db2.gz	OQIXQQHWKZLOFR-UHFFFAOYSA-N	1	0	359.434	1.470	20	50		FDGDRO
O=C(NN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCC1	ZINC000738130007	945207731	/nfs/dbraw/zinc/20/77/31/945207731.db2.gz	ZVVGENZPTSIUOU-UHFFFAOYSA-N	1	0	353.430	1.735	20	50		FDGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000826446637	607355995	/nfs/dbraw/zinc/35/59/95/607355995.db2.gz	SLNXPXPEOQIHSL-CQSZACIVSA-N	1	0	355.446	1.964	20	50		FDGDRO
C[N+](C)(C)CC(=O)NN=C1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1	ZINC001116886569	717196952	/nfs/dbraw/zinc/19/69/52/717196952.db2.gz	NEAFJUYDRXWOSX-HNNXBMFYSA-O	1	0	371.461	1.794	20	50		FDGDRO
CCCCCC[N@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736448320	944825478	/nfs/dbraw/zinc/82/54/78/944825478.db2.gz	LTRRYSPZCUTNFE-UHFFFAOYSA-N	1	0	359.434	1.140	20	50		FDGDRO
C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000820722706	945536882	/nfs/dbraw/zinc/53/68/82/945536882.db2.gz	MCOLVFNXFKOVBN-LBPRGKRZSA-N	1	0	361.475	1.746	20	50		FDGDRO
CC(C)[N@H+]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@H](C)C1	ZINC000820744322	945545397	/nfs/dbraw/zinc/54/53/97/945545397.db2.gz	XYKBZBRUBMQNCB-GFCCVEGCSA-N	1	0	357.418	1.078	20	50		FDGDRO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(NC(=O)CCl)cn1	ZINC001164931459	721886158	/nfs/dbraw/zinc/88/61/58/721886158.db2.gz	FLUOJKIKFIQAOM-LSDHHAIUSA-N	1	0	351.882	1.474	20	50		FDGDRO
C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCCC1	ZINC000821593894	945731688	/nfs/dbraw/zinc/73/16/88/945731688.db2.gz	OZHGXCAWCCMWBK-UHFFFAOYSA-N	1	0	371.445	1.140	20	50		FDGDRO
C[N+](C)(C)CC(=O)NN=C1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1	ZINC001116886570	717196895	/nfs/dbraw/zinc/19/68/95/717196895.db2.gz	NEAFJUYDRXWOSX-OAHLLOKOSA-O	1	0	371.461	1.794	20	50		FDGDRO
CC(C)[N@H+]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1	ZINC000820743036	945542587	/nfs/dbraw/zinc/54/25/87/945542587.db2.gz	POKODDAKKCOCGP-GFCCVEGCSA-N	1	0	357.418	1.078	20	50		FDGDRO
CC[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+](C)C	ZINC000825039123	607394069	/nfs/dbraw/zinc/39/40/69/607394069.db2.gz	MPXFXKSIHKXMMA-LLVKDONJSA-N	1	0	357.340	1.669	20	50		FDGDRO
C[NH+](C)CCOc1ccccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825870645	607713467	/nfs/dbraw/zinc/71/34/67/607713467.db2.gz	WVFGNFGWZYJHQM-UHFFFAOYSA-N	1	0	367.413	1.564	20	50		FDGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948393	609157315	/nfs/dbraw/zinc/15/73/15/609157315.db2.gz	KQDVOWSGQRELKE-GFCCVEGCSA-N	1	0	373.436	1.968	20	50		FDGDRO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000736253236	944778900	/nfs/dbraw/zinc/77/89/00/944778900.db2.gz	UAEDOVQEKLCDMC-CHWSQXEVSA-N	1	0	358.450	1.756	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820254241	945399764	/nfs/dbraw/zinc/39/97/64/945399764.db2.gz	OBAXJAMGBLFHPD-LBPRGKRZSA-N	1	0	359.409	1.578	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736582718	978343605	/nfs/dbraw/zinc/34/36/05/978343605.db2.gz	NKMMUARBPODIJY-HNNXBMFYSA-N	1	0	352.479	1.541	20	50		FDGDRO
C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1	ZINC000824563345	608484158	/nfs/dbraw/zinc/48/41/58/608484158.db2.gz	NBJSKUQSXMDILX-SNVBAGLBSA-N	1	0	371.426	1.040	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824229457	608466133	/nfs/dbraw/zinc/46/61/33/608466133.db2.gz	QWOMBWHJRDRGPC-NWDGAFQWSA-N	1	0	359.434	1.099	20	50		FDGDRO
CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+](C)C	ZINC000820015983	945328830	/nfs/dbraw/zinc/32/88/30/945328830.db2.gz	IRKWOIFTRAEQOU-LBPRGKRZSA-N	1	0	371.367	1.915	20	50		FDGDRO
O=C(CCl)Nc1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1	ZINC001164967933	722076905	/nfs/dbraw/zinc/07/69/05/722076905.db2.gz	MZKPCRVYFYGDNT-GASCZTMLSA-N	1	0	350.850	1.558	20	50		FDGDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736323191	944801210	/nfs/dbraw/zinc/80/12/10/944801210.db2.gz	VNMSBQMTHRRIMN-KMHUVPDISA-N	1	0	370.461	1.267	20	50		FDGDRO
CC[N@@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736572605	944846645	/nfs/dbraw/zinc/84/66/45/944846645.db2.gz	VXGXSSUUHHKKCL-CKNOQMABSA-N	1	0	368.445	1.021	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213480	945004112	/nfs/dbraw/zinc/00/41/12/945004112.db2.gz	UGGBUTJNQMPQDM-LLUUXILJSA-N	1	0	368.445	1.020	20	50		FDGDRO
C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000820260543	945398853	/nfs/dbraw/zinc/39/88/53/945398853.db2.gz	IGQWYDPJSHUISG-GFCCVEGCSA-N	1	0	361.475	1.890	20	50		FDGDRO
CC1(C)CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000820597099	945497149	/nfs/dbraw/zinc/49/71/49/945497149.db2.gz	YQSAPMBYOLYTFM-UHFFFAOYSA-N	1	0	371.445	1.140	20	50		FDGDRO
CCC1(CC)CC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000820956613	945596647	/nfs/dbraw/zinc/59/66/47/945596647.db2.gz	JOLJNQWDQQKNDA-UHFFFAOYSA-N	1	0	371.445	1.140	20	50		FDGDRO
CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1	ZINC000825394617	607921381	/nfs/dbraw/zinc/92/13/81/607921381.db2.gz	FVIZWFNHYPDDBS-UHFFFAOYSA-N	1	0	371.445	1.282	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212142	944990674	/nfs/dbraw/zinc/99/06/74/944990674.db2.gz	HWYUZYZXGUSQDL-SXEFYWFXSA-N	1	0	368.445	1.020	20	50		FDGDRO
C[N+](C)(C)CC(=O)NN=Cc1cn(-c2ccc(Cl)cc2Cl)nn1	ZINC001116871741	717196981	/nfs/dbraw/zinc/19/69/81/717196981.db2.gz	SJAGPCGRXQKSOV-UHFFFAOYSA-O	1	0	356.237	1.730	20	50		FDGDRO
CCC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821039516	945621049	/nfs/dbraw/zinc/62/10/49/945621049.db2.gz	DAIDYHCGAGOOCF-CYBMUJFWSA-N	1	0	371.445	1.140	20	50		FDGDRO
C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824927275	607923309	/nfs/dbraw/zinc/92/33/09/607923309.db2.gz	NKVZVLFYJUYKEG-CHWSQXEVSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(C)C[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824244022	607922257	/nfs/dbraw/zinc/92/22/57/607922257.db2.gz	PGPUUDLUMDROMT-OAHLLOKOSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824214438	607923166	/nfs/dbraw/zinc/92/31/66/607923166.db2.gz	GKGJVANXGCBZNN-HNNXBMFYSA-N	1	0	371.445	1.138	20	50		FDGDRO
Cc1nn(-c2cc[nH+]cc2)cc1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826332872	609467879	/nfs/dbraw/zinc/46/78/79/609467879.db2.gz	LAMPHKVFLFNGSV-UHFFFAOYSA-N	1	0	373.380	1.520	20	50		FDGDRO
CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C)C1CC1	ZINC000736538470	944840082	/nfs/dbraw/zinc/84/00/82/944840082.db2.gz	XEVKTNMNFYJDRA-ZROIWOOFSA-N	1	0	368.445	1.021	20	50		FDGDRO
CC[N@@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736572608	944847334	/nfs/dbraw/zinc/84/73/34/944847334.db2.gz	VXGXSSUUHHKKCL-UJMHRVFCSA-N	1	0	368.445	1.021	20	50		FDGDRO
C[N+](C)(C)CC(=O)NN=C1CCOc2c(F)cc(Br)cc21	ZINC000794454850	717189531	/nfs/dbraw/zinc/18/95/31/717189531.db2.gz	CLLUAENRLSCGTD-UHFFFAOYSA-O	1	0	359.219	1.897	20	50		FDGDRO
CC(C)[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+](C)C	ZINC000820015981	945328819	/nfs/dbraw/zinc/32/88/19/945328819.db2.gz	IRKWOIFTRAEQOU-GFCCVEGCSA-N	1	0	371.367	1.915	20	50		FDGDRO
CC[N@@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736572606	944846882	/nfs/dbraw/zinc/84/68/82/944846882.db2.gz	VXGXSSUUHHKKCL-NHXNDTTKSA-N	1	0	368.445	1.021	20	50		FDGDRO
CCC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821040327	945620754	/nfs/dbraw/zinc/62/07/54/945620754.db2.gz	KDFNOEOWMLYMQP-ZDUSSCGKSA-N	1	0	371.445	1.140	20	50		FDGDRO
CCC[N@H+](CC)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000821095115	945634387	/nfs/dbraw/zinc/63/43/87/945634387.db2.gz	YCDABSKKTFIGBJ-XNTDXEJSSA-N	1	0	370.461	1.269	20	50		FDGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000826447959	607334841	/nfs/dbraw/zinc/33/48/41/607334841.db2.gz	CESMOWKJCBADIW-AWEZNQCLSA-N	1	0	355.446	1.964	20	50		FDGDRO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000824199691	607462734	/nfs/dbraw/zinc/46/27/34/607462734.db2.gz	LKSJUTOGMKFVOH-HNNXBMFYSA-N	1	0	359.434	1.103	20	50		FDGDRO
COc1ccc(C=NNC(=O)CC[NH+]2CCCCCC2)cc1-c1nn[nH]n1	ZINC000737081159	944952955	/nfs/dbraw/zinc/95/29/55/944952955.db2.gz	LFOLDFDREYIHFL-UHFFFAOYSA-N	1	0	371.445	1.592	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213479	945004364	/nfs/dbraw/zinc/00/43/64/945004364.db2.gz	UGGBUTJNQMPQDM-DKTFCQPKSA-N	1	0	368.445	1.020	20	50		FDGDRO
C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820262040	945402213	/nfs/dbraw/zinc/40/22/13/945402213.db2.gz	QVNQWYZXJWWBRT-CYBMUJFWSA-N	1	0	373.436	1.968	20	50		FDGDRO
C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncccc1NC(=O)CCl	ZINC001164932879	721877045	/nfs/dbraw/zinc/87/70/45/721877045.db2.gz	KEDGMSJSRCLULJ-GJZGRUSLSA-N	1	0	351.882	1.474	20	50		FDGDRO
CCC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000821039520	945620362	/nfs/dbraw/zinc/62/03/62/945620362.db2.gz	DAIDYHCGAGOOCF-ZDUSSCGKSA-N	1	0	371.445	1.140	20	50		FDGDRO
CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NNc1cc[nH+]cc1	ZINC000824319269	609263467	/nfs/dbraw/zinc/26/34/67/609263467.db2.gz	KOJBCABKPYBVAC-UHFFFAOYSA-N	1	0	354.374	1.619	20	50		FDGDRO
COc1ccc(C=NNC(=O)[C@H](C)C[NH+]2CCCCC2)cc1-c1nn[nH]n1	ZINC000737082759	944955686	/nfs/dbraw/zinc/95/56/86/944955686.db2.gz	ZDMUAEBJZSOEDW-CYBMUJFWSA-N	1	0	371.445	1.447	20	50		FDGDRO
CC[NH+](CC)CCC(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21	ZINC000821189642	945649366	/nfs/dbraw/zinc/64/93/66/945649366.db2.gz	QYMYBNOIRYQEKO-UHFFFAOYSA-N	1	0	355.446	1.755	20	50		FDGDRO
C[NH+](C)CC1CCC(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000825859938	607561252	/nfs/dbraw/zinc/56/12/52/607561252.db2.gz	IXDCYZWQTZJABB-UHFFFAOYSA-N	1	0	358.450	1.613	20	50		FDGDRO
C[NH+](C)CCOc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825870602	607340327	/nfs/dbraw/zinc/34/03/27/607340327.db2.gz	ULEPYECAXWSGRV-UHFFFAOYSA-N	1	0	367.413	1.564	20	50		FDGDRO
C[C@H](C[NH+]1CCCCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820254240	945397807	/nfs/dbraw/zinc/39/78/07/945397807.db2.gz	OBAXJAMGBLFHPD-GFCCVEGCSA-N	1	0	359.409	1.578	20	50		FDGDRO
C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000820722705	945538341	/nfs/dbraw/zinc/53/83/41/945538341.db2.gz	MCOLVFNXFKOVBN-GFCCVEGCSA-N	1	0	361.475	1.746	20	50		FDGDRO
O=C([O-])CCC[NH+]1CCC(=NNC(=O)CC[NH+]2CCCCCC2)CC1	ZINC000739672485	978648134	/nfs/dbraw/zinc/64/81/34/978648134.db2.gz	KLPMYMCHJUZVIL-UHFFFAOYSA-N	1	0	352.479	1.685	20	50		FDGDRO
O=C(NNc1cc[nH+]c2ccccc12)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000823280850	606696659	/nfs/dbraw/zinc/69/66/59/606696659.db2.gz	HEZRWRHMBHUIJY-UHFFFAOYSA-N	1	0	367.319	1.872	20	50		FDGDRO
C[C@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824983933	607884309	/nfs/dbraw/zinc/88/43/09/607884309.db2.gz	DFVCCJGNZMLJOT-MGPQQGTHSA-N	1	0	371.445	1.062	20	50		FDGDRO
C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824927277	607923171	/nfs/dbraw/zinc/92/31/71/607923171.db2.gz	NKVZVLFYJUYKEG-QWHCGFSZSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1	ZINC000823948394	609157403	/nfs/dbraw/zinc/15/74/03/609157403.db2.gz	KQDVOWSGQRELKE-LBPRGKRZSA-N	1	0	373.436	1.968	20	50		FDGDRO
Cc1cc(C(=O)NNc2cc[nH+]cc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	ZINC000826260384	609172501	/nfs/dbraw/zinc/17/25/01/609172501.db2.gz	LMTTZIMCYRGULB-UHFFFAOYSA-N	1	0	374.408	1.848	20	50		FDGDRO
CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000735880995	944709356	/nfs/dbraw/zinc/70/93/56/944709356.db2.gz	FHTJOBCFDWGSJY-ZDUSSCGKSA-N	1	0	358.450	1.613	20	50		FDGDRO
CCCCCC[N@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736448601	944826224	/nfs/dbraw/zinc/82/62/24/944826224.db2.gz	NUWFAXALDJDVCI-UHFFFAOYSA-N	1	0	359.434	1.140	20	50		FDGDRO
C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736798072	978355931	/nfs/dbraw/zinc/35/59/31/978355931.db2.gz	QXQLZWOFYAIDCL-INIZCTEOSA-N	1	0	366.506	1.787	20	50		FDGDRO
C[N+](C)(C)CC(=O)NN=C1c2ccccc2N(Cc2ccccc2)C1=O	ZINC000916270611	717193287	/nfs/dbraw/zinc/19/32/87/717193287.db2.gz	LAVCTZMKDQPRSZ-UHFFFAOYSA-O	1	0	351.430	1.760	20	50		FDGDRO
CCOC(=O)CCc1c(C)c(C=NNC(=O)C[N+](C)(C)C)c2ccccn21	ZINC001115850417	717196623	/nfs/dbraw/zinc/19/66/23/717196623.db2.gz	PYYXAVVGZGMZNF-UHFFFAOYSA-O	1	0	373.477	1.900	20	50		FDGDRO
CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C)C1CC1	ZINC000736538469	944841927	/nfs/dbraw/zinc/84/19/27/944841927.db2.gz	XEVKTNMNFYJDRA-NTEUORMPSA-N	1	0	368.445	1.021	20	50		FDGDRO
C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000820722664	945537036	/nfs/dbraw/zinc/53/70/36/945537036.db2.gz	LGYUXRNPWCIQON-GFCCVEGCSA-N	1	0	361.475	1.746	20	50		FDGDRO
CC(C)[N@H+]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1	ZINC000820743037	945542500	/nfs/dbraw/zinc/54/25/00/945542500.db2.gz	POKODDAKKCOCGP-LBPRGKRZSA-N	1	0	357.418	1.078	20	50		FDGDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000824199692	607462431	/nfs/dbraw/zinc/46/24/31/607462431.db2.gz	LKSJUTOGMKFVOH-OAHLLOKOSA-N	1	0	359.434	1.103	20	50		FDGDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncccc1NC(=O)CCl	ZINC001164932881	721877141	/nfs/dbraw/zinc/87/71/41/721877141.db2.gz	KEDGMSJSRCLULJ-LSDHHAIUSA-N	1	0	351.882	1.474	20	50		FDGDRO
CC[C@@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736323189	944803131	/nfs/dbraw/zinc/80/31/31/944803131.db2.gz	VNMSBQMTHRRIMN-CDCQXCROSA-N	1	0	370.461	1.267	20	50		FDGDRO
CC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000820981331	945603180	/nfs/dbraw/zinc/60/31/80/945603180.db2.gz	RDXJSGAVHSCNAU-ZDUSSCGKSA-N	1	0	371.445	1.140	20	50		FDGDRO
CCC[N@H+](CC)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000821095113	945632319	/nfs/dbraw/zinc/63/23/19/945632319.db2.gz	YCDABSKKTFIGBJ-GDNBJRDFSA-N	1	0	370.461	1.269	20	50		FDGDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826404031	607348398	/nfs/dbraw/zinc/34/83/98/607348398.db2.gz	LXYBSRLIXJGCJW-UHFFFAOYSA-N	1	0	371.445	1.345	20	50		FDGDRO
CC(C)C[NH+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C	ZINC000824255625	607920445	/nfs/dbraw/zinc/92/04/45/607920445.db2.gz	QJHPCSREUQRNFR-UHFFFAOYSA-N	1	0	373.461	1.242	20	50		FDGDRO
CC(C)CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC000824249685	607921163	/nfs/dbraw/zinc/92/11/63/607921163.db2.gz	RRFLLQDUIWMGRB-UHFFFAOYSA-N	1	0	371.445	1.138	20	50		FDGDRO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(NC(=O)CCl)cn1	ZINC001164931456	721886216	/nfs/dbraw/zinc/88/62/16/721886216.db2.gz	FLUOJKIKFIQAOM-CABCVRRESA-N	1	0	351.882	1.474	20	50		FDGDRO
CC[N@H+](CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CC1	ZINC000825396050	607570353	/nfs/dbraw/zinc/57/03/53/607570353.db2.gz	ZZAJBVFJVXPNBP-UHFFFAOYSA-N	1	0	369.351	1.813	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000820260545	945398968	/nfs/dbraw/zinc/39/89/68/945398968.db2.gz	IGQWYDPJSHUISG-LBPRGKRZSA-N	1	0	361.475	1.890	20	50		FDGDRO
C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000820722665	945536293	/nfs/dbraw/zinc/53/62/93/945536293.db2.gz	LGYUXRNPWCIQON-LBPRGKRZSA-N	1	0	361.475	1.746	20	50		FDGDRO
C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820723088	945538068	/nfs/dbraw/zinc/53/80/68/945538068.db2.gz	VPOIYHODELEXQO-CYBMUJFWSA-N	1	0	373.436	1.824	20	50		FDGDRO
CC(C)(C)CC(C)(C)[NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824079122	607922315	/nfs/dbraw/zinc/92/23/15/607922315.db2.gz	MUXSEOYFIMZFGG-UHFFFAOYSA-N	1	0	373.461	1.432	20	50		FDGDRO
CC(C)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1	ZINC000824288426	607924840	/nfs/dbraw/zinc/92/48/40/607924840.db2.gz	FUBRDQNOSOTVSE-UHFFFAOYSA-N	1	0	371.445	1.281	20	50		FDGDRO
CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NNc1cc[nH+]cc1	ZINC000824207309	609171787	/nfs/dbraw/zinc/17/17/87/609171787.db2.gz	SYNVJRRYHPOHNZ-OAHLLOKOSA-N	1	0	353.386	1.230	20	50		FDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1I	ZINC000794456955	717189863	/nfs/dbraw/zinc/18/98/63/717189863.db2.gz	NXXGCINJIYTZNK-UHFFFAOYSA-O	1	0	360.219	1.838	20	50		FDGDRO
CCCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736453973	944826298	/nfs/dbraw/zinc/82/62/98/944826298.db2.gz	VJRQFIPSFVPNJB-GDNBJRDFSA-N	1	0	370.461	1.269	20	50		FDGDRO
CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C)C(C)C	ZINC000736537348	944840724	/nfs/dbraw/zinc/84/07/24/944840724.db2.gz	MYQSVFYBAMCSRM-OQLLNIDSSA-N	1	0	370.461	1.267	20	50		FDGDRO
C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824927276	607923077	/nfs/dbraw/zinc/92/30/77/607923077.db2.gz	NKVZVLFYJUYKEG-OLZOCXBDSA-N	1	0	371.445	1.138	20	50		FDGDRO
C=CCCCCC[N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000819739906	945276940	/nfs/dbraw/zinc/27/69/40/945276940.db2.gz	KIYUGTXREBFZLH-UHFFFAOYSA-N	1	0	371.445	1.306	20	50		FDGDRO
CC(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCC1	ZINC000735691236	944691830	/nfs/dbraw/zinc/69/18/30/944691830.db2.gz	NQCSFQGMIGBIMX-OAHLLOKOSA-N	1	0	371.445	1.138	20	50		FDGDRO
CCC[N@H+](C)CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000821088595	945632789	/nfs/dbraw/zinc/63/27/89/945632789.db2.gz	PHPZBHKTKWATHA-UHFFFAOYSA-N	1	0	357.340	1.670	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)N(C)CCCC[NH+](C)C)cc(-c2nn[nH]n2)n1C	ZINC000822020688	945924089	/nfs/dbraw/zinc/92/40/89/945924089.db2.gz	GXIZEYLHJKYPOR-GDNBJRDFSA-N	1	0	370.461	1.221	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824228078	608489054	/nfs/dbraw/zinc/48/90/54/608489054.db2.gz	DRZROSOYOODJMR-RYUDHWBXSA-N	1	0	359.434	1.099	20	50		FDGDRO
C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC[C@@H]21	ZINC000139875080	671850359	/nfs/dbraw/zinc/85/03/59/671850359.db2.gz	ZCUBGOLRHRSTRB-HOCLYGCPSA-N	1	0	364.877	1.517	20	50		FDGDRO
CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)=NNC(=O)C[N+](C)(C)C	ZINC001116871161	717196912	/nfs/dbraw/zinc/19/69/12/717196912.db2.gz	JTKUWBHZUKSINI-CQSZACIVSA-O	1	0	357.475	1.211	20	50		FDGDRO
CCCC[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736453975	944826395	/nfs/dbraw/zinc/82/63/95/944826395.db2.gz	VJRQFIPSFVPNJB-XNTDXEJSSA-N	1	0	370.461	1.269	20	50		FDGDRO
COc1ccc(C=NNC(=O)[C@@H](C)C[NH+]2CCCCC2)cc1-c1nn[nH]n1	ZINC000737082762	944954155	/nfs/dbraw/zinc/95/41/55/944954155.db2.gz	ZDMUAEBJZSOEDW-ZDUSSCGKSA-N	1	0	371.445	1.447	20	50		FDGDRO
C[C@@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824983930	607884345	/nfs/dbraw/zinc/88/43/45/607884345.db2.gz	DFVCCJGNZMLJOT-BFHYXJOUSA-N	1	0	371.445	1.062	20	50		FDGDRO
CCCCC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C	ZINC000825271624	607920631	/nfs/dbraw/zinc/92/06/31/607920631.db2.gz	LUCMRLGZDCZQQX-UHFFFAOYSA-N	1	0	373.461	1.528	20	50		FDGDRO
CN(C)c1nc(C=NNC(=O)C[N+](C)(C)C)c(Cl)n1-c1ccccc1	ZINC001115825409	717196447	/nfs/dbraw/zinc/19/64/47/717196447.db2.gz	MBUSAIXMOUKUFL-UHFFFAOYSA-O	1	0	363.873	1.748	20	50		FDGDRO
C[C@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824414318	607884225	/nfs/dbraw/zinc/88/42/25/607884225.db2.gz	ZHEZMGVOOUKWDA-CQSZACIVSA-N	1	0	355.446	1.829	20	50		FDGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000826448561	608815549	/nfs/dbraw/zinc/81/55/49/608815549.db2.gz	ZZPXEWKKTINYNL-UHFFFAOYSA-N	1	0	362.357	1.596	20	50		FDGDRO
C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1NC(=O)CCl	ZINC001164932877	721876895	/nfs/dbraw/zinc/87/68/95/721876895.db2.gz	KEDGMSJSRCLULJ-CABCVRRESA-N	1	0	351.882	1.474	20	50		FDGDRO
CC(C)C[N@@H+]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000820092767	945348781	/nfs/dbraw/zinc/34/87/81/945348781.db2.gz	PBAICYZFZXMRJT-CYBMUJFWSA-N	1	0	358.450	1.471	20	50		FDGDRO
CC[NH+](CC)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736535271	944840667	/nfs/dbraw/zinc/84/06/67/944840667.db2.gz	WDRRBQJUPXUOOJ-IYVNWDGISA-N	1	0	370.461	1.267	20	50		FDGDRO
CC(C)[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1	ZINC000735690299	944692051	/nfs/dbraw/zinc/69/20/51/944692051.db2.gz	IWGICOYARMBVBL-HNNXBMFYSA-N	1	0	371.445	1.138	20	50		FDGDRO
C[NH+](C)Cc1cccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000736772054	944888452	/nfs/dbraw/zinc/88/84/52/944888452.db2.gz	VTDFKUGJFNLLHB-UHFFFAOYSA-N	1	0	365.397	1.003	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000820261326	945402405	/nfs/dbraw/zinc/40/24/05/945402405.db2.gz	MWIOMZZNKJZVIK-LBPRGKRZSA-N	1	0	361.475	1.890	20	50		FDGDRO
C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCCC1	ZINC000825892979	607920852	/nfs/dbraw/zinc/92/08/52/607920852.db2.gz	XVADLEHECZAWNG-UHFFFAOYSA-N	1	0	371.445	1.282	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824228076	608489035	/nfs/dbraw/zinc/48/90/35/608489035.db2.gz	DRZROSOYOODJMR-NWDGAFQWSA-N	1	0	359.434	1.099	20	50		FDGDRO
O=C(COc1ccc(-c2nn[nH]n2)cc1)NNc1cc[nH+]c2ccccc12	ZINC000737918500	945151637	/nfs/dbraw/zinc/15/16/37/945151637.db2.gz	IBSONTLSPJYLIR-UHFFFAOYSA-N	1	0	361.365	1.359	20	50		FDGDRO
CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000820092769	945350668	/nfs/dbraw/zinc/35/06/68/945350668.db2.gz	PBAICYZFZXMRJT-ZDUSSCGKSA-N	1	0	358.450	1.471	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212146	944991453	/nfs/dbraw/zinc/99/14/53/944991453.db2.gz	HWYUZYZXGUSQDL-XPCDHTMISA-N	1	0	368.445	1.020	20	50		FDGDRO
CC[NH+]1CCC(CCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000821242539	945657991	/nfs/dbraw/zinc/65/79/91/945657991.db2.gz	UYNCDLYEQSLDLA-UHFFFAOYSA-N	1	0	358.450	1.615	20	50		FDGDRO
CC[NH+](CC)CCC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12	ZINC000821188632	945649186	/nfs/dbraw/zinc/64/91/86/945649186.db2.gz	BHCAQYZHILPFLS-UHFFFAOYSA-N	1	0	354.418	1.530	20	50		FDGDRO
C[N@@H+]1CC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1	ZINC000821621923	945750297	/nfs/dbraw/zinc/75/02/97/945750297.db2.gz	LHCOGVUDDRKRLH-MRVPVSSYSA-N	1	0	355.324	1.280	20	50		FDGDRO
CCC(CC)C[N@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825107088	607920898	/nfs/dbraw/zinc/92/08/98/607920898.db2.gz	LEKMHQNGTVEZCN-UHFFFAOYSA-N	1	0	373.461	1.386	20	50		FDGDRO
CC[N@@H+]1CCC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1	ZINC000736564432	944843093	/nfs/dbraw/zinc/84/30/93/944843093.db2.gz	BFYCHDWJFBHTRL-GFCCVEGCSA-N	1	0	357.418	1.079	20	50		FDGDRO
Cc1nn(-c2cc[nH+]cc2)cc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826332717	609469940	/nfs/dbraw/zinc/46/99/40/609469940.db2.gz	DYVFAUCAWCXWPY-UHFFFAOYSA-N	1	0	373.380	1.520	20	50		FDGDRO
CC(C[C@H]1COCCN1C(=O)OC(C)(C)C)=NNC(=O)C[N+](C)(C)C	ZINC001116871159	717196940	/nfs/dbraw/zinc/19/69/40/717196940.db2.gz	JTKUWBHZUKSINI-AWEZNQCLSA-O	1	0	357.475	1.211	20	50		FDGDRO
C[NH+]1CCC(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CC1	ZINC000826021928	607394309	/nfs/dbraw/zinc/39/43/09/607394309.db2.gz	FLBZIVLORNPEDN-UHFFFAOYSA-N	1	0	369.351	1.670	20	50		FDGDRO
O=C(CCc1ccc(-c2nn[nH]n2)cc1)NNc1cc[nH+]c2ccccc12	ZINC000737853972	945138872	/nfs/dbraw/zinc/13/88/72/945138872.db2.gz	PJLYJGDCZKAYFB-UHFFFAOYSA-N	1	0	359.393	1.913	20	50		FDGDRO
O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNc1cc[nH+]c2ccccc12	ZINC000737896795	945148324	/nfs/dbraw/zinc/14/83/24/945148324.db2.gz	ZEYDCHNBCNNXEF-UHFFFAOYSA-N	1	0	360.381	1.392	20	50		FDGDRO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000735880993	944709942	/nfs/dbraw/zinc/70/99/42/944709942.db2.gz	FHTJOBCFDWGSJY-CYBMUJFWSA-N	1	0	358.450	1.613	20	50		FDGDRO
CC[N@@H+]1CCC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H](C)C1	ZINC000736566117	944844254	/nfs/dbraw/zinc/84/42/54/944844254.db2.gz	WJCVZGNGOIBAAN-LBPRGKRZSA-N	1	0	357.418	1.079	20	50		FDGDRO
C[NH+](C)C1(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CCC1	ZINC000825851278	607396204	/nfs/dbraw/zinc/39/62/04/607396204.db2.gz	VPYHRKCMHIXHSX-UHFFFAOYSA-N	1	0	369.351	1.813	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824414317	607884349	/nfs/dbraw/zinc/88/43/49/607884349.db2.gz	ZHEZMGVOOUKWDA-AWEZNQCLSA-N	1	0	355.446	1.829	20	50		FDGDRO
O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NNc1cc[nH+]cc1	ZINC000826406267	609172872	/nfs/dbraw/zinc/17/28/72/609172872.db2.gz	OYAKVEFAPYQHJF-UHFFFAOYSA-N	1	0	353.386	1.376	20	50		FDGDRO
O=C(NNc1cc[nH+]cc1)c1c(Cl)cc(-c2nn[nH]n2)cc1Cl	ZINC000826449502	609263380	/nfs/dbraw/zinc/26/33/80/609263380.db2.gz	VZZCAMCJJVGRFJ-UHFFFAOYSA-N	1	0	350.169	1.747	20	50		FDGDRO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000736253238	944778850	/nfs/dbraw/zinc/77/88/50/944778850.db2.gz	UAEDOVQEKLCDMC-STQMWFEESA-N	1	0	358.450	1.756	20	50		FDGDRO
C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736798073	978355732	/nfs/dbraw/zinc/35/57/32/978355732.db2.gz	QXQLZWOFYAIDCL-MRXNPFEDSA-N	1	0	366.506	1.787	20	50		FDGDRO
C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCCC1	ZINC000821593810	945731976	/nfs/dbraw/zinc/73/19/76/945731976.db2.gz	LDWYFGSZUFQWNH-UHFFFAOYSA-N	1	0	371.445	1.140	20	50		FDGDRO
CCO/C=C(/C#N)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000825582746	607526108	/nfs/dbraw/zinc/52/61/08/607526108.db2.gz	MKFGZZOVXUIMCI-SSZFMOIBSA-N	1	0	369.429	1.201	20	50		FDGDRO
O=C(COc1ccccc1-c1nn[nH]n1)NNc1cc[nH+]c2ccccc12	ZINC000737930014	945158174	/nfs/dbraw/zinc/15/81/74/945158174.db2.gz	MEONVHOGYVPNLO-UHFFFAOYSA-N	1	0	361.365	1.359	20	50		FDGDRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000736253234	944779115	/nfs/dbraw/zinc/77/91/15/944779115.db2.gz	UAEDOVQEKLCDMC-BETUJISGSA-N	1	0	358.450	1.756	20	50		FDGDRO
CCC[NH+](CCC)CCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736474241	944831112	/nfs/dbraw/zinc/83/11/12/944831112.db2.gz	YQDLRNJNSNCLON-UHFFFAOYSA-N	1	0	373.461	1.530	20	50		FDGDRO
CC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000820981330	945604216	/nfs/dbraw/zinc/60/42/16/945604216.db2.gz	RDXJSGAVHSCNAU-CYBMUJFWSA-N	1	0	371.445	1.140	20	50		FDGDRO
CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000824261158	607514285	/nfs/dbraw/zinc/51/42/85/607514285.db2.gz	CNUPDFZMTHJWHT-CQSZACIVSA-N	1	0	372.477	1.861	20	50		FDGDRO
C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824952810	607884206	/nfs/dbraw/zinc/88/42/06/607884206.db2.gz	BFBJECADMHZASU-AWEZNQCLSA-N	1	0	355.446	1.685	20	50		FDGDRO
C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1NC(=O)CCl	ZINC001164932880	721876870	/nfs/dbraw/zinc/87/68/70/721876870.db2.gz	KEDGMSJSRCLULJ-HUUCEWRRSA-N	1	0	351.882	1.474	20	50		FDGDRO
CC[N@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C)C(C)C	ZINC000736537347	944839990	/nfs/dbraw/zinc/83/99/90/944839990.db2.gz	MYQSVFYBAMCSRM-DHDCSXOGSA-N	1	0	370.461	1.267	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(-c2nn[nH]n2)n1C	ZINC000737212144	944991096	/nfs/dbraw/zinc/99/10/96/944991096.db2.gz	HWYUZYZXGUSQDL-UQWTUQMWSA-N	1	0	368.445	1.020	20	50		FDGDRO
CC(CCCC[NH+](C)C)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000824402314	609275967	/nfs/dbraw/zinc/27/59/67/609275967.db2.gz	VQUVZBMLFBOCDO-UHFFFAOYSA-N	1	0	359.434	1.470	20	50		FDGDRO
CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824244021	607922012	/nfs/dbraw/zinc/92/20/12/607922012.db2.gz	PGPUUDLUMDROMT-HNNXBMFYSA-N	1	0	371.445	1.138	20	50		FDGDRO
O=C(NN=C1CC[NH+](C2CCCC2)CC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738129111	945198970	/nfs/dbraw/zinc/19/89/70/945198970.db2.gz	OMEWNBXNPSXEJO-UHFFFAOYSA-N	1	0	353.430	1.991	20	50		FDGDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736535268	944841250	/nfs/dbraw/zinc/84/12/50/944841250.db2.gz	WDRRBQJUPXUOOJ-AZZDOICSSA-N	1	0	370.461	1.267	20	50		FDGDRO
C=CCC[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001573334125	947446307	/nfs/dbraw/zinc/44/63/07/947446307.db2.gz	JXRRHGGSSVWCLG-HNNXBMFYSA-N	1	0	369.429	1.058	20	50		FDGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000826446536	607357314	/nfs/dbraw/zinc/35/73/14/607357314.db2.gz	PHTWLEJWKFFYDV-QGZVFWFLSA-N	1	0	363.425	1.974	20	50		FDGDRO
CCC(CC)[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1	ZINC000825106600	607922250	/nfs/dbraw/zinc/92/22/50/607922250.db2.gz	GJEFGIVHYNZWTN-UHFFFAOYSA-N	1	0	371.445	1.281	20	50		FDGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823948403	608094232	/nfs/dbraw/zinc/09/42/32/608094232.db2.gz	KVPSVFUOPMFZPH-NSHDSACASA-N	1	0	361.475	1.890	20	50		FDGDRO
Cc1nc(SCC(=O)NNc2cc[nH+]cc2)c(-c2nn[nH]n2)c(C)c1C	ZINC000826327472	609262642	/nfs/dbraw/zinc/26/26/42/609262642.db2.gz	JGHCBCOLSZSQTG-UHFFFAOYSA-N	1	0	370.442	1.239	20	50		FDGDRO
CC[N@@H+]1CCC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@H](C)C1	ZINC000736566116	944843455	/nfs/dbraw/zinc/84/34/55/944843455.db2.gz	WJCVZGNGOIBAAN-GFCCVEGCSA-N	1	0	357.418	1.079	20	50		FDGDRO
C[NH+](C)CC[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)(C)C	ZINC000736758638	944882850	/nfs/dbraw/zinc/88/28/50/944882850.db2.gz	HOMYRRPDJSHHPN-CQSZACIVSA-N	1	0	360.466	1.859	20	50		FDGDRO
O=C(CC[NH+]1CCCCCC1)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000822964144	946235742	/nfs/dbraw/zinc/23/57/42/946235742.db2.gz	DXBWDSHVJYXIOJ-UHFFFAOYSA-N	1	0	359.409	1.722	20	50		FDGDRO
C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824925238	607921554	/nfs/dbraw/zinc/92/15/54/607921554.db2.gz	CANRVZRWJJVOPN-DOMZBBRYSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(I)cc1	ZINC000916270696	717193400	/nfs/dbraw/zinc/19/34/00/717193400.db2.gz	OBXWRFGOZXRGLQ-UHFFFAOYSA-O	1	0	360.219	1.838	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213481	945004085	/nfs/dbraw/zinc/00/40/85/945004085.db2.gz	UGGBUTJNQMPQDM-NGPAHMQLSA-N	1	0	368.445	1.020	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc(-c2nn[nH]n2)n1C	ZINC000737213482	945004284	/nfs/dbraw/zinc/00/42/84/945004284.db2.gz	UGGBUTJNQMPQDM-ODYDIQAQSA-N	1	0	368.445	1.020	20	50		FDGDRO
CCC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1	ZINC000821040326	945620646	/nfs/dbraw/zinc/62/06/46/945620646.db2.gz	KDFNOEOWMLYMQP-CYBMUJFWSA-N	1	0	371.445	1.140	20	50		FDGDRO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000826446636	607356033	/nfs/dbraw/zinc/35/60/33/607356033.db2.gz	SLNXPXPEOQIHSL-AWEZNQCLSA-N	1	0	355.446	1.964	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824229459	608465994	/nfs/dbraw/zinc/46/59/94/608465994.db2.gz	QWOMBWHJRDRGPC-RYUDHWBXSA-N	1	0	359.434	1.099	20	50		FDGDRO
CC(C)[N@H+](C)CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000820111978	945353620	/nfs/dbraw/zinc/35/36/20/945353620.db2.gz	HGOGGIFTFQWZQJ-UHFFFAOYSA-N	1	0	357.340	1.669	20	50		FDGDRO
CC[C@H](C)[N@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736323190	944802000	/nfs/dbraw/zinc/80/20/00/944802000.db2.gz	VNMSBQMTHRRIMN-DGGAMASNSA-N	1	0	370.461	1.267	20	50		FDGDRO
C[C@@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820723089	945537383	/nfs/dbraw/zinc/53/73/83/945537383.db2.gz	VPOIYHODELEXQO-ZDUSSCGKSA-N	1	0	373.436	1.824	20	50		FDGDRO
CCC(CC)C[N@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825107463	608152520	/nfs/dbraw/zinc/15/25/20/608152520.db2.gz	PAKQBRXOTVKRLY-UHFFFAOYSA-N	1	0	373.461	1.386	20	50		FDGDRO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(NC(=O)CCl)cn1	ZINC001164931458	721886248	/nfs/dbraw/zinc/88/62/48/721886248.db2.gz	FLUOJKIKFIQAOM-HUUCEWRRSA-N	1	0	351.882	1.474	20	50		FDGDRO
C[C@H](C[NH+]1CCCCCC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736580972	978343939	/nfs/dbraw/zinc/34/39/39/978343939.db2.gz	GMQCLODRHLGOAQ-MRXNPFEDSA-N	1	0	366.506	1.931	20	50		FDGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823948402	608094011	/nfs/dbraw/zinc/09/40/11/608094011.db2.gz	KVPSVFUOPMFZPH-LLVKDONJSA-N	1	0	361.475	1.890	20	50		FDGDRO
C[NH+](C)Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1	ZINC000736771802	944888699	/nfs/dbraw/zinc/88/86/99/944888699.db2.gz	SPDHSHZYWLJFFB-UHFFFAOYSA-N	1	0	365.397	1.003	20	50		FDGDRO
CCCC[NH+](CCCC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825282133	607920784	/nfs/dbraw/zinc/92/07/84/607920784.db2.gz	OAMAIQVAUMXAAD-UHFFFAOYSA-N	1	0	373.461	1.530	20	50		FDGDRO
CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824080129	607922160	/nfs/dbraw/zinc/92/21/60/607922160.db2.gz	UYEOVVDPUVHRPT-CQSZACIVSA-N	1	0	371.445	1.138	20	50		FDGDRO
O=C(C[NH+]1C2CCCC1CCC2)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409549	607923982	/nfs/dbraw/zinc/92/39/82/607923982.db2.gz	FKIZZOLXRJSCSW-UHFFFAOYSA-N	1	0	369.429	1.035	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824229461	608466051	/nfs/dbraw/zinc/46/60/51/608466051.db2.gz	QWOMBWHJRDRGPC-VXGBXAGGSA-N	1	0	359.434	1.099	20	50		FDGDRO
Cc1cc2c(c(Br)c1)NC(=O)C2=NNC(=O)C[N+](C)(C)C	ZINC001116886919	717196625	/nfs/dbraw/zinc/19/66/25/717196625.db2.gz	UGUQTNXXSDHLNR-UHFFFAOYSA-O	1	0	354.228	1.236	20	50		FDGDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(NC(=O)CCl)cn2)C1	ZINC001164733183	720530685	/nfs/dbraw/zinc/53/06/85/720530685.db2.gz	CAAGACIHUDILKO-CYBMUJFWSA-N	1	0	362.865	1.653	20	50		FDGDRO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(NC(=O)CCl)cn1	ZINC001164931457	721886008	/nfs/dbraw/zinc/88/60/08/721886008.db2.gz	FLUOJKIKFIQAOM-GJZGRUSLSA-N	1	0	351.882	1.474	20	50		FDGDRO
CCCN(Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C)C(=O)NNC(=O)CC	ZINC000736479380	944830458	/nfs/dbraw/zinc/83/04/58/944830458.db2.gz	GLUSTIWBNQRPCD-GFCCVEGCSA-N	1	0	359.434	1.025	20	50		FDGDRO
Cc1c(C=C(C#N)C(=O)N(C)CCCC[NH+](C)C)cc(-c2nn[nH]n2)n1C	ZINC000822020689	945922405	/nfs/dbraw/zinc/92/24/05/945922405.db2.gz	GXIZEYLHJKYPOR-XNTDXEJSSA-N	1	0	370.461	1.221	20	50		FDGDRO
CC[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)[NH+](C)C	ZINC000825039124	607394116	/nfs/dbraw/zinc/39/41/16/607394116.db2.gz	MPXFXKSIHKXMMA-NSHDSACASA-N	1	0	357.340	1.669	20	50		FDGDRO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000824199623	607464139	/nfs/dbraw/zinc/46/41/39/607464139.db2.gz	KEVOGQMEVITHSS-OAHLLOKOSA-N	1	0	359.434	1.103	20	50		FDGDRO
CCO/C=C(\C#N)C(=O)N(CC[NH+](C)C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000825582745	607526161	/nfs/dbraw/zinc/52/61/61/607526161.db2.gz	MKFGZZOVXUIMCI-DTQAZKPQSA-N	1	0	369.429	1.201	20	50		FDGDRO
C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824952812	607884114	/nfs/dbraw/zinc/88/41/14/607884114.db2.gz	BFBJECADMHZASU-CQSZACIVSA-N	1	0	355.446	1.685	20	50		FDGDRO
CC[C@H]1CCCCC[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825194077	607923402	/nfs/dbraw/zinc/92/34/02/607923402.db2.gz	OXSADZLEGWKEID-HNNXBMFYSA-N	1	0	371.445	1.282	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000824229455	608466333	/nfs/dbraw/zinc/46/63/33/608466333.db2.gz	QWOMBWHJRDRGPC-NEPJUHHUSA-N	1	0	359.434	1.099	20	50		FDGDRO
CC[C@H]1CCCC[N@@H+]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000736400980	944815835	/nfs/dbraw/zinc/81/58/35/944815835.db2.gz	UMAMYYCRDPAVQK-HNNXBMFYSA-N	1	0	358.450	1.757	20	50		FDGDRO
CC[NH+](CC)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C	ZINC000736535273	944841624	/nfs/dbraw/zinc/84/16/24/944841624.db2.gz	WDRRBQJUPXUOOJ-PWDRSIHYSA-N	1	0	370.461	1.267	20	50		FDGDRO
C[C@H]([NH2+]CC(=O)NNC(=O)c1cccs1)c1cccc(-c2nn[nH]n2)c1	ZINC000824563344	608484140	/nfs/dbraw/zinc/48/41/40/608484140.db2.gz	NBJSKUQSXMDILX-JTQLQIEISA-N	1	0	371.426	1.040	20	50		FDGDRO
C[N+](C)(C)CC(=O)NN=Cc1cc(Br)c2c(c1)OCCO2	ZINC001115862652	717196888	/nfs/dbraw/zinc/19/68/88/717196888.db2.gz	BXULVQCEDBUUHL-UHFFFAOYSA-O	1	0	357.228	1.377	20	50		FDGDRO
C=CCCCCC[N@@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819740271	945278031	/nfs/dbraw/zinc/27/80/31/945278031.db2.gz	WWGBJJGSMLMXPU-UHFFFAOYSA-N	1	0	371.445	1.306	20	50		FDGDRO
C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001573334126	947446835	/nfs/dbraw/zinc/44/68/35/947446835.db2.gz	JXRRHGGSSVWCLG-OAHLLOKOSA-N	1	0	369.429	1.058	20	50		FDGDRO
O=C(NNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444462	607462634	/nfs/dbraw/zinc/46/26/34/607462634.db2.gz	HOAXRQGKZBULAG-HNNXBMFYSA-N	1	0	369.429	1.035	20	50		FDGDRO
C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824925240	607921483	/nfs/dbraw/zinc/92/14/83/607921483.db2.gz	CANRVZRWJJVOPN-SWLSCSKDSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC(=NNC(=O)[C@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948213	609275470	/nfs/dbraw/zinc/27/54/70/609275470.db2.gz	HPIARQREZVNVBZ-GFCCVEGCSA-N	1	0	373.436	1.968	20	50		FDGDRO
C#CC[NH+]1CCC(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000105965287	671604719	/nfs/dbraw/zinc/60/47/19/671604719.db2.gz	REPJPQBUVSTQLT-UHFFFAOYSA-N	1	0	353.344	1.812	20	50		FDGDRO
O=C(COc1cccc(-c2nn[nH]n2)c1)NNc1cc[nH+]c2ccccc12	ZINC000737924182	945154738	/nfs/dbraw/zinc/15/47/38/945154738.db2.gz	CMOCVRNFOGVMNA-UHFFFAOYSA-N	1	0	361.365	1.359	20	50		FDGDRO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000826447960	607335113	/nfs/dbraw/zinc/33/51/13/607335113.db2.gz	CESMOWKJCBADIW-CQSZACIVSA-N	1	0	355.446	1.964	20	50		FDGDRO
O=C(NNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1cccc(-c2nn[nH]n2)c1	ZINC000826444530	607462755	/nfs/dbraw/zinc/46/27/55/607462755.db2.gz	KEOZVVPWCAIYLO-OAHLLOKOSA-N	1	0	369.429	1.035	20	50		FDGDRO
O=C(C[N@H+](C1CC1)C1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826410020	607922981	/nfs/dbraw/zinc/92/29/81/607922981.db2.gz	YMOIROJGHPSBRS-UHFFFAOYSA-N	1	0	369.429	1.035	20	50		FDGDRO
C=C(C)C[NH+]1CCC(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000735399957	944646152	/nfs/dbraw/zinc/64/61/52/944646152.db2.gz	XPNLQGXHPYCADQ-UHFFFAOYSA-N	1	0	356.434	1.533	20	50		FDGDRO
C/C(NNC(=O)C[N+](C)(C)C)=C1/C=C(Br)C=C(Cl)C1=O	ZINC000794457476	717190321	/nfs/dbraw/zinc/19/03/21/717190321.db2.gz	RSDHBZXJCZCTPY-UHFFFAOYSA-O	1	0	363.663	1.572	20	50		FDGDRO
CC(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[NH+]1CCCCC1	ZINC000735691232	944692010	/nfs/dbraw/zinc/69/20/10/944692010.db2.gz	NQCSFQGMIGBIMX-HNNXBMFYSA-N	1	0	371.445	1.138	20	50		FDGDRO
CC[NH+](CC)CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000821181673	945648905	/nfs/dbraw/zinc/64/89/05/945648905.db2.gz	OEHXYXXMFUMBOU-UHFFFAOYSA-N	1	0	357.340	1.670	20	50		FDGDRO
C[C@@H](C[NH+]1CCCCCC1)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736580971	978343675	/nfs/dbraw/zinc/34/36/75/978343675.db2.gz	GMQCLODRHLGOAQ-INIZCTEOSA-N	1	0	366.506	1.931	20	50		FDGDRO
CC[NH+](CC)Cc1ccc(C(=O)NN=C2CC[NH+](CCC(=O)[O-])CC2)o1	ZINC001596275508	983693982	/nfs/dbraw/zinc/69/39/82/983693982.db2.gz	HRMBSDAVOZPEPU-UHFFFAOYSA-N	1	0	364.446	1.778	20	50		FDGDRO
CC(C)CC(=O)NNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1	ZINC000824228074	608489229	/nfs/dbraw/zinc/48/92/29/608489229.db2.gz	DRZROSOYOODJMR-NEPJUHHUSA-N	1	0	359.434	1.099	20	50		FDGDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2NC(=O)CCl)C1	ZINC001164732591	720522615	/nfs/dbraw/zinc/52/26/15/720522615.db2.gz	FOCDKCTVLGYTNU-CYBMUJFWSA-N	1	0	362.865	1.653	20	50		FDGDRO
CC[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000820979423	945603785	/nfs/dbraw/zinc/60/37/85/945603785.db2.gz	IBWPCKSDWOFHGA-ZDUSSCGKSA-N	1	0	371.445	1.140	20	50		FDGDRO
CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NNc1cc[nH+]cc1	ZINC000824207308	609170864	/nfs/dbraw/zinc/17/08/64/609170864.db2.gz	SYNVJRRYHPOHNZ-HNNXBMFYSA-N	1	0	353.386	1.230	20	50		FDGDRO
CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F	ZINC000823948214	609275410	/nfs/dbraw/zinc/27/54/10/609275410.db2.gz	HPIARQREZVNVBZ-LBPRGKRZSA-N	1	0	373.436	1.968	20	50		FDGDRO
CCCN(Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)C(=O)NNC(=O)CC	ZINC000736479381	944830752	/nfs/dbraw/zinc/83/07/52/944830752.db2.gz	GLUSTIWBNQRPCD-LBPRGKRZSA-N	1	0	359.434	1.025	20	50		FDGDRO
CC[N@@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1	ZINC000736572607	944846395	/nfs/dbraw/zinc/84/63/95/944846395.db2.gz	VXGXSSUUHHKKCL-OWTLUSIOSA-N	1	0	368.445	1.021	20	50		FDGDRO
CC1(C)CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000820595414	945494518	/nfs/dbraw/zinc/49/45/18/945494518.db2.gz	IRRNKQVBNXAJNA-UHFFFAOYSA-N	1	0	371.445	1.140	20	50		FDGDRO
C[C@@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824983932	607884159	/nfs/dbraw/zinc/88/41/59/607884159.db2.gz	DFVCCJGNZMLJOT-MELADBBJSA-N	1	0	371.445	1.062	20	50		FDGDRO
CC1CCC([N@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824917064	607920573	/nfs/dbraw/zinc/92/05/73/607920573.db2.gz	MAEPBAJEBBKKNX-UHFFFAOYSA-N	1	0	371.445	1.138	20	50		FDGDRO
C[NH+](C)Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1	ZINC000736771132	944885695	/nfs/dbraw/zinc/88/56/95/944885695.db2.gz	IEILZGUNYSXJMN-UHFFFAOYSA-N	1	0	365.397	1.003	20	50		FDGDRO
CC(C)[N@H+]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H](C)C1	ZINC000820744324	945544675	/nfs/dbraw/zinc/54/46/75/945544675.db2.gz	XYKBZBRUBMQNCB-LBPRGKRZSA-N	1	0	357.418	1.078	20	50		FDGDRO
CC[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000820979421	945604107	/nfs/dbraw/zinc/60/41/07/945604107.db2.gz	IBWPCKSDWOFHGA-CYBMUJFWSA-N	1	0	371.445	1.140	20	50		FDGDRO
C[N@@H+]1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1	ZINC000821621924	945751928	/nfs/dbraw/zinc/75/19/28/945751928.db2.gz	LHCOGVUDDRKRLH-QMMMGPOBSA-N	1	0	355.324	1.280	20	50		FDGDRO
O=C(CC1([NH+]2CCOCC2)CCCC1)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826404096	607724931	/nfs/dbraw/zinc/72/49/31/607724931.db2.gz	ODXGSBAHISBFTN-UHFFFAOYSA-N	1	0	371.445	1.345	20	50		FDGDRO
C[C@H]1CCC[C@H]([N@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1	ZINC000824925241	607921302	/nfs/dbraw/zinc/92/13/02/607921302.db2.gz	CANRVZRWJJVOPN-WFASDCNBSA-N	1	0	371.445	1.138	20	50		FDGDRO
C[N@@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC[C@@H]21	ZINC000139875236	671850299	/nfs/dbraw/zinc/85/02/99/671850299.db2.gz	ZCUBGOLRHRSTRB-ZBFHGGJFSA-N	1	0	364.877	1.517	20	50		FDGDRO