smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CCN(C(=[NH2+])NC[C@H]2CN(C3CC3)CCO2)CC1	ZINC000262724783	330028675	/nfs/dbraw/zinc/02/86/75/330028675.db2.gz	YGOBAPWZYMRXOC-AWEZNQCLSA-N	2	0	280.416	0.896	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(C2CC2)C1	ZINC000262779820	330031063	/nfs/dbraw/zinc/03/10/63/330031063.db2.gz	LGWGBQQDENUURD-JSGCOSHPSA-N	3	0	279.432	0.482	10	30		CCEERP
C[NH+]=C(NCCN1CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261998960	625009682	/nfs/dbraw/zinc/00/96/82/625009682.db2.gz	TVTVENBPYYWPPA-ZIAGYGMSSA-N	2	0	281.448	0.586	10	30		CCEERP
[NH2+]=C(NC[C@@H]1CN(C2CC2)CCO1)N1CCSCC1	ZINC000262724779	330028714	/nfs/dbraw/zinc/02/87/14/330028714.db2.gz	YFMNKMRDMXGZPT-GFCCVEGCSA-N	2	0	284.429	0.213	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@]1(C)CCCO1	ZINC000154583842	613219874	/nfs/dbraw/zinc/21/98/74/613219874.db2.gz	LKTANHKOYPBHDJ-GXTWGEPZSA-N	2	0	268.405	0.815	10	30		CCEERP
C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261980193	631741935	/nfs/dbraw/zinc/74/19/35/631741935.db2.gz	OSJSVGWGYRBDNQ-MGPQQGTHSA-N	2	0	298.431	0.296	10	30		CCEERP
C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1	ZINC000104408954	185990892	/nfs/dbraw/zinc/99/08/92/185990892.db2.gz	PXFKNXDNPQBDAW-GFCCVEGCSA-N	2	0	251.374	0.446	10	30		CCEERP
C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000330124818	289035946	/nfs/dbraw/zinc/03/59/46/289035946.db2.gz	BHNYGTUZEQJLRH-MGPQQGTHSA-N	2	0	298.431	0.382	10	30		CCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(C2CC2)C1	ZINC000262808221	330032998	/nfs/dbraw/zinc/03/29/98/330032998.db2.gz	QKQSIZFFNMOOBG-HIFRSBDPSA-N	3	0	293.459	0.872	10	30		CCEERP
C[NH+]=C(NCCn1cccn1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261976680	624949621	/nfs/dbraw/zinc/94/96/21/624949621.db2.gz	NVNZVJSSTORSBD-ZIAGYGMSSA-N	2	0	292.431	0.777	10	30		CCEERP
C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262012604	631755570	/nfs/dbraw/zinc/75/55/70/631755570.db2.gz	WYJXMAFKJUKUOR-CHWSQXEVSA-N	2	0	282.432	0.795	10	30		CCEERP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C[C@H]1C	ZINC000329817423	290086900	/nfs/dbraw/zinc/08/69/00/290086900.db2.gz	FTZKQHUHQOCZBW-RDBSUJKOSA-N	2	0	298.431	0.382	10	30		CCEERP
C/[NH+]=C(\N(C)C)N(C)/N=C/C(C)=N/N(C)/C(=[NH+]/C)N(C)C	ZINC000584652341	359186786	/nfs/dbraw/zinc/18/67/86/359186786.db2.gz	HHXPGYQGSYEGOH-DYJFOHJGSA-N	2	0	296.423	0.307	10	30		CCEERP
C[NH+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000594436666	360305857	/nfs/dbraw/zinc/30/58/57/360305857.db2.gz	PMCHGIDUQZRIQC-NWDGAFQWSA-N	2	0	252.362	0.560	10	30		CCEERP
N#Cc1cnc(Nc2cc(NCC[NH3+])c(N)c[nH+]2)cn1	ZINC000098178641	349653969	/nfs/dbraw/zinc/65/39/69/349653969.db2.gz	BOJRSQFDMHIPTI-UHFFFAOYSA-N	2	0	270.300	0.440	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC(=O)N1	ZINC000262926046	330036860	/nfs/dbraw/zinc/03/68/60/330036860.db2.gz	ZVAPMZLLJSSBPM-NWDGAFQWSA-N	2	0	281.404	0.044	10	30		CCEERP
C[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261983326	631741328	/nfs/dbraw/zinc/74/13/28/631741328.db2.gz	PJCDWMUWCHQFGM-ZYHUDNBSSA-N	2	0	294.403	0.772	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](COC)C1	ZINC000262470932	330015521	/nfs/dbraw/zinc/01/55/21/330015521.db2.gz	OUFIWOZZRZVUSN-OLZOCXBDSA-N	2	0	268.405	0.624	10	30		CCEERP
C[NH+]=C(NC[C@H]1CN(C2CC2)CCO1)NC1CC1	ZINC000262471767	330015666	/nfs/dbraw/zinc/01/56/66/330015666.db2.gz	ACUZVKCXWZCNFV-LBPRGKRZSA-N	2	0	252.362	0.177	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000262792569	330031862	/nfs/dbraw/zinc/03/18/62/330031862.db2.gz	OKQFFRXGCKREST-XPCVCDNBSA-N	2	0	294.443	0.938	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC(=O)N1	ZINC000262926051	330036884	/nfs/dbraw/zinc/03/68/84/330036884.db2.gz	ZVAPMZLLJSSBPM-VXGBXAGGSA-N	2	0	281.404	0.044	10	30		CCEERP
C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261988150	624997123	/nfs/dbraw/zinc/99/71/23/624997123.db2.gz	QPUZZVQCGXDNKL-TZMCWYRMSA-N	2	0	292.431	0.814	10	30		CCEERP
C[NH+]=C(NCc1nncn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261977883	631740630	/nfs/dbraw/zinc/74/06/30/631740630.db2.gz	ODEJYCDOEFMDPY-NWDGAFQWSA-N	2	0	293.419	0.209	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12	ZINC000249839934	261258524	/nfs/dbraw/zinc/25/85/24/261258524.db2.gz	NMASOULQNADSRA-SYQHCUMBSA-N	2	0	280.416	0.943	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1O	ZINC000262503268	330018315	/nfs/dbraw/zinc/01/83/15/330018315.db2.gz	ATGZVFYNLOMVKM-YNEHKIRRSA-N	2	0	268.405	0.536	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@]1(C)CCCO1	ZINC000154583945	613219835	/nfs/dbraw/zinc/21/98/35/613219835.db2.gz	LKTANHKOYPBHDJ-JSGCOSHPSA-N	2	0	268.405	0.815	10	30		CCEERP
C[NH+]=C(NCc1nncn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261977885	631741189	/nfs/dbraw/zinc/74/11/89/631741189.db2.gz	ODEJYCDOEFMDPY-VXGBXAGGSA-N	2	0	293.419	0.209	10	30		CCEERP
CC[NH+]=C(NCCO)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262010058	631754030	/nfs/dbraw/zinc/75/40/30/631754030.db2.gz	WKTOJVSRBONJES-VXGBXAGGSA-N	2	0	256.394	0.263	10	30		CCEERP
C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1	ZINC000188760412	329373033	/nfs/dbraw/zinc/37/30/33/329373033.db2.gz	OCWMGZHZMZZZFO-CMPLNLGQSA-N	2	0	255.337	0.453	10	30		CCEERP
C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261971666	631740035	/nfs/dbraw/zinc/74/00/35/631740035.db2.gz	MXWNRXNLKFTSPS-ZIAGYGMSSA-N	2	0	292.431	0.777	10	30		CCEERP
C[C@@H]1C[NH+]=C(NCc2ccncc2OCC[NH+](C)C)N1	ZINC000262262979	330003098	/nfs/dbraw/zinc/00/30/98/330003098.db2.gz	GRRMXLUAVVHVJI-LLVKDONJSA-N	2	0	277.372	0.459	10	30		CCEERP
C[NH+](C)CCN1CC[NH+](CCC[C@](C)(N)C#N)CC1	ZINC000061652850	521764690	/nfs/dbraw/zinc/76/46/90/521764690.db2.gz	PDHTXKZQYCHDBL-AWEZNQCLSA-N	2	0	267.421	0.187	10	30		CCEERP
CC[NH+]=C(NCCO)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158308032	622710933	/nfs/dbraw/zinc/71/09/33/622710933.db2.gz	WKTOJVSRBONJES-NWDGAFQWSA-N	2	0	256.394	0.263	10	30		CCEERP
CN(CC#CC[NH+]1CCCC1)C(=O)CCCC[NH3+]	ZINC000027857713	348102195	/nfs/dbraw/zinc/10/21/95/348102195.db2.gz	GWKYSTUNHIGTNS-UHFFFAOYSA-N	2	0	251.374	0.673	10	30		CCEERP
N#CCCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000594438295	360307354	/nfs/dbraw/zinc/30/73/54/360307354.db2.gz	NUIOESUWWXXLHC-STQMWFEESA-N	2	0	264.373	0.704	10	30		CCEERP
C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000247200856	389237128	/nfs/dbraw/zinc/23/71/28/389237128.db2.gz	OZMHUSFFPRXCMH-UONOGXRCSA-N	2	0	295.427	0.149	10	30		CCEERP
C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1C[C@H]1C	ZINC000172125942	329081538	/nfs/dbraw/zinc/08/15/38/329081538.db2.gz	DAYJWWQAZDSVKS-MGPQQGTHSA-N	2	0	282.432	0.917	10	30		CCEERP
CN1CC[NH+]=C1NCc1ccncc1OCC[NH+](C)C	ZINC000262246578	330002680	/nfs/dbraw/zinc/00/26/80/330002680.db2.gz	CLMSSXAFIQUZRL-UHFFFAOYSA-N	2	0	277.372	0.413	10	30		CCEERP
CN1CCC[NH+]=C1NC[C@H]1CN(C2CC2)CCO1	ZINC000263145213	330045718	/nfs/dbraw/zinc/04/57/18/330045718.db2.gz	ORNNCNZJDGNHLF-LBPRGKRZSA-N	2	0	252.362	0.131	10	30		CCEERP
CC[C@H]1CN(CCNC(=[NH2+])NC2CCC2)CCO1	ZINC000263165323	330046849	/nfs/dbraw/zinc/04/68/49/330046849.db2.gz	REUCWFAFVWRLHQ-LBPRGKRZSA-N	2	0	254.378	0.554	10	30		CCEERP
C[NH+](C)CCN1CC[NH+](CCC[C@@](C)(N)C#N)CC1	ZINC000061652849	521764706	/nfs/dbraw/zinc/76/47/06/521764706.db2.gz	PDHTXKZQYCHDBL-CQSZACIVSA-N	2	0	267.421	0.187	10	30		CCEERP
CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000594440499	360310148	/nfs/dbraw/zinc/31/01/48/360310148.db2.gz	DPJOYDCNXCQSFS-STQMWFEESA-N	2	0	266.389	0.998	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262821922	330034165	/nfs/dbraw/zinc/03/41/65/330034165.db2.gz	YOFKNSVOTZCFMR-KKUMJFAQSA-N	2	0	292.427	0.669	10	30		CCEERP
CC[C@@H]1CN(CCNC(=[NH2+])NC2CCC2)CCO1	ZINC000263165322	330046870	/nfs/dbraw/zinc/04/68/70/330046870.db2.gz	REUCWFAFVWRLHQ-GFCCVEGCSA-N	2	0	254.378	0.554	10	30		CCEERP
NC(=[NH2+])NC(=[NH2+])NCc1ccc(Br)s1	ZINC000215765917	351937385	/nfs/dbraw/zinc/93/73/85/351937385.db2.gz	VWBHFGRHHLUTFW-UHFFFAOYSA-N	2	0	276.163	0.599	10	30		CCEERP
Cn1cncc1CNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1	ZINC000329639224	389181417	/nfs/dbraw/zinc/18/14/17/389181417.db2.gz	ZEAYEOWHRNOZSQ-QWHCGFSZSA-N	2	0	293.371	0.239	10	30		CCEERP
CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000594440498	360310233	/nfs/dbraw/zinc/31/02/33/360310233.db2.gz	DPJOYDCNXCQSFS-QWHCGFSZSA-N	2	0	266.389	0.998	10	30		CCEERP
C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C[C@@H]1C	ZINC000329817420	290086571	/nfs/dbraw/zinc/08/65/71/290086571.db2.gz	FTZKQHUHQOCZBW-IHRRRGAJSA-N	2	0	298.431	0.382	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@](C)(O)c1ccco1	ZINC000262402227	330008111	/nfs/dbraw/zinc/00/81/11/330008111.db2.gz	OGPHDOJEEPATQG-WFASDCNBSA-N	2	0	294.399	0.746	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245613775	649646591	/nfs/dbraw/zinc/64/65/91/649646591.db2.gz	MBVVYVCTTNRFCI-CHWSQXEVSA-N	2	0	297.447	0.405	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C	ZINC000261968824	631739193	/nfs/dbraw/zinc/73/91/93/631739193.db2.gz	MDVBVXDEUWHZLH-AEGPPILISA-N	3	0	293.459	0.728	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1	ZINC000248637640	389247567	/nfs/dbraw/zinc/24/75/67/389247567.db2.gz	QRLQYVULABFYNW-SOUVJXGZSA-N	2	0	275.396	0.527	10	30		CCEERP
C[NH+]=C(NCC1CCC1)N1CC[C@H](N2CCOCC2)C1	ZINC000262429427	330010030	/nfs/dbraw/zinc/01/00/30/330010030.db2.gz	DMRJWTLULKCUFI-AWEZNQCLSA-N	2	0	280.416	0.768	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CC2)CC1	ZINC000262777934	330030802	/nfs/dbraw/zinc/03/08/02/330030802.db2.gz	KBPCTRKOBLLVKM-SWLSCSKDSA-N	2	0	294.443	0.939	10	30		CCEERP
C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261958237	631731177	/nfs/dbraw/zinc/73/11/77/631731177.db2.gz	JJRSCFURJDLKGP-DGCLKSJQSA-N	2	0	295.431	0.159	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C	ZINC000261968833	631739325	/nfs/dbraw/zinc/73/93/25/631739325.db2.gz	MDVBVXDEUWHZLH-VHDGCEQUSA-N	3	0	293.459	0.728	10	30		CCEERP
N#CCCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000594438291	360306867	/nfs/dbraw/zinc/30/68/67/360306867.db2.gz	NUIOESUWWXXLHC-CHWSQXEVSA-N	2	0	264.373	0.704	10	30		CCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)[nH]c1=O	ZINC000262299049	330004868	/nfs/dbraw/zinc/00/48/68/330004868.db2.gz	ZFYSWGDBEWQBMS-LBPRGKRZSA-N	2	0	292.387	0.379	10	30		CCEERP
CNC(=[NH+]N)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000306498809	354175205	/nfs/dbraw/zinc/17/52/05/354175205.db2.gz	HDEKDGMFKGEVBD-UHFFFAOYSA-N	2	0	261.373	0.643	10	30		CCEERP
C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261988149	624997098	/nfs/dbraw/zinc/99/70/98/624997098.db2.gz	QPUZZVQCGXDNKL-GXTWGEPZSA-N	2	0	292.431	0.814	10	30		CCEERP
NC(=[NH2+])NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1	ZINC000215550552	351936823	/nfs/dbraw/zinc/93/68/23/351936823.db2.gz	CVMSVKYODUNEEA-UHFFFAOYSA-N	3	0	274.372	0.239	10	30		CCEERP
C[NH+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000594436668	360305587	/nfs/dbraw/zinc/30/55/87/360305587.db2.gz	PMCHGIDUQZRIQC-VXGBXAGGSA-N	2	0	252.362	0.560	10	30		CCEERP
C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262326084	262767806	/nfs/dbraw/zinc/76/78/06/262767806.db2.gz	TXWZQOGOSBZFQR-LBPRGKRZSA-N	2	0	295.431	0.257	10	30		CCEERP
CC[C@H]1CN(CCNC(=[NH2+])NC(C)(C)C)CCO1	ZINC000262814241	330033532	/nfs/dbraw/zinc/03/35/32/330033532.db2.gz	VDBJCEDOMFDGRK-NSHDSACASA-N	2	0	256.394	0.800	10	30		CCEERP
CC[C@@H]1CN(CCNC(=[NH2+])NC(C)(C)C)CCO1	ZINC000262814237	330033545	/nfs/dbraw/zinc/03/35/45/330033545.db2.gz	VDBJCEDOMFDGRK-LLVKDONJSA-N	2	0	256.394	0.800	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCO[C@H](COC)C1	ZINC000261644271	624812847	/nfs/dbraw/zinc/81/28/47/624812847.db2.gz	ALJDAEVIWZJILR-STQMWFEESA-N	2	0	284.404	0.003	10	30		CCEERP
C[NH+]=C(NCCn1cccn1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261976678	631740739	/nfs/dbraw/zinc/74/07/39/631740739.db2.gz	NVNZVJSSTORSBD-UONOGXRCSA-N	2	0	292.431	0.777	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000131910640	264385198	/nfs/dbraw/zinc/38/51/98/264385198.db2.gz	FLLXXIQMVXIHEY-ZDUSSCGKSA-N	2	0	293.415	0.033	10	30		CCEERP
[NH2+]=C(NC[C@H]1CN(C2CC2)CCO1)N1CCSCC1	ZINC000262724780	330028837	/nfs/dbraw/zinc/02/88/37/330028837.db2.gz	YFMNKMRDMXGZPT-LBPRGKRZSA-N	2	0	284.429	0.213	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261966695	631736859	/nfs/dbraw/zinc/73/68/59/631736859.db2.gz	LQVJQLJCHSTNCB-VIRABCJISA-N	2	0	294.443	0.795	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000131910842	264385245	/nfs/dbraw/zinc/38/52/45/264385245.db2.gz	FLLXXIQMVXIHEY-CYBMUJFWSA-N	2	0	293.415	0.033	10	30		CCEERP
C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C	ZINC000330124786	279111642	/nfs/dbraw/zinc/11/16/42/279111642.db2.gz	BHNYGTUZEQJLRH-HZSPNIEDSA-N	2	0	298.431	0.382	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1	ZINC000262777936	330030876	/nfs/dbraw/zinc/03/08/76/330030876.db2.gz	KBPCTRKOBLLVKM-WFASDCNBSA-N	2	0	294.443	0.939	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1	ZINC000116788826	389134737	/nfs/dbraw/zinc/13/47/37/389134737.db2.gz	JBDFWPWJEJYDOI-OAHLLOKOSA-N	2	0	293.411	0.121	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)NC1CC[NH+](C2CC2)CC1	ZINC000131450580	264371884	/nfs/dbraw/zinc/37/18/84/264371884.db2.gz	UTLVZJGLVBLLMM-UHFFFAOYSA-N	2	0	295.431	0.303	10	30		CCEERP
CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C	ZINC000262682510	330026766	/nfs/dbraw/zinc/02/67/66/330026766.db2.gz	WVQXJTDDBPHZDQ-WCQYABFASA-N	2	0	278.404	0.679	10	30		CCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCOC1	ZINC000262832188	330034632	/nfs/dbraw/zinc/03/46/32/330034632.db2.gz	RRTXHYKUXAHPDW-NWDGAFQWSA-N	2	0	254.378	0.282	10	30		CCEERP
C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000105862497	330330385	/nfs/dbraw/zinc/33/03/85/330330385.db2.gz	OZMHUSFFPRXCMH-KBPBESRZSA-N	2	0	295.427	0.149	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)C[C@H]1CCOC1	ZINC000261726191	631549752	/nfs/dbraw/zinc/54/97/52/631549752.db2.gz	XPFTYLARUHCFDA-OLZOCXBDSA-N	2	0	268.405	0.624	10	30		CCEERP
C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000594436665	360306038	/nfs/dbraw/zinc/30/60/38/360306038.db2.gz	PMCHGIDUQZRIQC-NEPJUHHUSA-N	2	0	252.362	0.560	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+]1C	ZINC000113862077	526370274	/nfs/dbraw/zinc/37/02/74/526370274.db2.gz	DUBZVYFFFLMVMN-RYUDHWBXSA-N	2	0	254.378	0.425	10	30		CCEERP
C#CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]CC	ZINC000262007608	352569468	/nfs/dbraw/zinc/56/94/68/352569468.db2.gz	VYDAQRMLSOACAK-CHWSQXEVSA-N	2	0	250.390	0.903	10	30		CCEERP
CC[N@H+](CCNC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C	ZINC000262435167	330010469	/nfs/dbraw/zinc/01/04/69/330010469.db2.gz	GCQYURXGXYMZHY-LBPRGKRZSA-N	2	0	256.394	0.752	10	30		CCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC(=O)N1	ZINC000262926041	330036901	/nfs/dbraw/zinc/03/69/01/330036901.db2.gz	ZVAPMZLLJSSBPM-NEPJUHHUSA-N	2	0	281.404	0.044	10	30		CCEERP
CN1CCC[NH+]=C1NCc1ccncc1OCC[NH+](C)C	ZINC000263156368	330046368	/nfs/dbraw/zinc/04/63/68/330046368.db2.gz	PYRVFCFTZGLLGU-UHFFFAOYSA-N	2	0	291.399	0.803	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261966693	624920227	/nfs/dbraw/zinc/92/02/27/624920227.db2.gz	LQVJQLJCHSTNCB-OSRDXIQISA-N	2	0	294.443	0.795	10	30		CCEERP
C[NH+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000594436667	360305489	/nfs/dbraw/zinc/30/54/89/360305489.db2.gz	PMCHGIDUQZRIQC-RYUDHWBXSA-N	2	0	252.362	0.560	10	30		CCEERP
CC[C@](C)(C=O)C[NH+]1CCN(CC[NH+](C)C)CC1	ZINC000061653414	523451819	/nfs/dbraw/zinc/45/18/19/523451819.db2.gz	AGPHLFLHEJLDOP-AWEZNQCLSA-N	2	0	255.406	0.781	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC(C(=O)OC)CC1	ZINC000114077833	526370685	/nfs/dbraw/zinc/37/06/85/526370685.db2.gz	FNHMUJVCVCBTCM-ZDUSSCGKSA-N	2	0	296.415	0.541	10	30		CCEERP
C[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261983321	624974629	/nfs/dbraw/zinc/97/46/29/624974629.db2.gz	PJCDWMUWCHQFGM-CMPLNLGQSA-N	2	0	294.403	0.772	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000132241356	264386323	/nfs/dbraw/zinc/38/63/23/264386323.db2.gz	NCHWNAAYSXSLKX-VXGBXAGGSA-N	2	0	295.431	0.301	10	30		CCEERP
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1	ZINC000171737229	329079727	/nfs/dbraw/zinc/07/97/27/329079727.db2.gz	SMFQREHMODTOPJ-CQSZACIVSA-N	2	0	280.416	0.982	10	30		CCEERP
C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261996559	631746939	/nfs/dbraw/zinc/74/69/39/631746939.db2.gz	SPQCENJUBBUGRP-HZSPNIEDSA-N	3	0	283.464	0.830	10	30		CCEERP
C[C@H]1C[NH+]=C(NCc2ccncc2OCC[NH+](C)C)N1	ZINC000262262981	330003021	/nfs/dbraw/zinc/00/30/21/330003021.db2.gz	GRRMXLUAVVHVJI-NSHDSACASA-N	2	0	277.372	0.459	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@](C)(O)c1ccco1	ZINC000262402225	330008105	/nfs/dbraw/zinc/00/81/05/330008105.db2.gz	OGPHDOJEEPATQG-SWLSCSKDSA-N	2	0	294.399	0.746	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](COC)C1	ZINC000262470934	330015566	/nfs/dbraw/zinc/01/55/66/330015566.db2.gz	OUFIWOZZRZVUSN-STQMWFEESA-N	2	0	268.405	0.624	10	30		CCEERP
CC1CCN(C(=[NH2+])NC[C@@H]2CN(C3CC3)CCO2)CC1	ZINC000262724784	330028771	/nfs/dbraw/zinc/02/87/71/330028771.db2.gz	YGOBAPWZYMRXOC-CQSZACIVSA-N	2	0	280.416	0.896	10	30		CCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCC(C(=O)OC)CC1	ZINC000114077835	526377240	/nfs/dbraw/zinc/37/72/40/526377240.db2.gz	FNHMUJVCVCBTCM-CYBMUJFWSA-N	2	0	296.415	0.541	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1	ZINC000195336398	389124354	/nfs/dbraw/zinc/12/43/54/389124354.db2.gz	IZJAKAVHNWQMAA-HNNXBMFYSA-N	2	0	275.396	0.638	10	30		CCEERP
C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N[C@@H]1C[C@@H]1C	ZINC000172125946	329081596	/nfs/dbraw/zinc/08/15/96/329081596.db2.gz	DAYJWWQAZDSVKS-BFHYXJOUSA-N	2	0	282.432	0.917	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)[nH]c1=O	ZINC000262299047	330004984	/nfs/dbraw/zinc/00/49/84/330004984.db2.gz	ZFYSWGDBEWQBMS-GFCCVEGCSA-N	2	0	292.387	0.379	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000261955821	624882599	/nfs/dbraw/zinc/88/25/99/624882599.db2.gz	IQXBSXRKGXUGQP-SOUVJXGZSA-N	3	0	295.475	0.974	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1C[NH+](C(C)C)C[C@H]1C	ZINC000261955820	631729328	/nfs/dbraw/zinc/72/93/28/631729328.db2.gz	IQXBSXRKGXUGQP-QLFBSQMISA-N	3	0	295.475	0.974	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000132241570	264386722	/nfs/dbraw/zinc/38/67/22/264386722.db2.gz	NCHWNAAYSXSLKX-NWDGAFQWSA-N	2	0	295.431	0.301	10	30		CCEERP
NC(=[NH2+])NC(=[NH2+])NCc1cc(Br)cs1	ZINC000215901632	351938860	/nfs/dbraw/zinc/93/88/60/351938860.db2.gz	GYSSIMTUKGYSMO-UHFFFAOYSA-N	2	0	276.163	0.599	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1O	ZINC000262503263	330018270	/nfs/dbraw/zinc/01/82/70/330018270.db2.gz	ATGZVFYNLOMVKM-JHJVBQTASA-N	2	0	268.405	0.536	10	30		CCEERP
CN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H](C[NH3+])C1	ZINC000127871914	350179922	/nfs/dbraw/zinc/17/99/22/350179922.db2.gz	BWQMVRNDALEUHD-GFCCVEGCSA-N	2	0	275.312	0.546	10	30		CCEERP
C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1	ZINC000171737233	329079680	/nfs/dbraw/zinc/07/96/80/329079680.db2.gz	SMFQREHMODTOPJ-AWEZNQCLSA-N	2	0	280.416	0.982	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1	ZINC000116788828	329545326	/nfs/dbraw/zinc/54/53/26/329545326.db2.gz	JBDFWPWJEJYDOI-HNNXBMFYSA-N	2	0	293.411	0.121	10	30		CCEERP
CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1	ZINC000594440496	360308848	/nfs/dbraw/zinc/30/88/48/360308848.db2.gz	DPJOYDCNXCQSFS-CHWSQXEVSA-N	2	0	266.389	0.998	10	30		CCEERP
C#CCNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]CC	ZINC000158206322	389337953	/nfs/dbraw/zinc/33/79/53/389337953.db2.gz	VYDAQRMLSOACAK-QWHCGFSZSA-N	2	0	250.390	0.903	10	30		CCEERP
CC[N@H+](CCNC(=[NH2+])N1CCO[C@H](C)C1)C(C)C	ZINC000262435165	330010453	/nfs/dbraw/zinc/01/04/53/330010453.db2.gz	GCQYURXGXYMZHY-GFCCVEGCSA-N	2	0	256.394	0.752	10	30		CCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1CCC(=O)NC1	ZINC000262785812	330031351	/nfs/dbraw/zinc/03/13/51/330031351.db2.gz	MMNKAGMYMCWPAT-GFCCVEGCSA-N	2	0	295.431	0.304	10	30		CCEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H](C)C(C)C	ZINC000262799832	330032342	/nfs/dbraw/zinc/03/23/42/330032342.db2.gz	VHESSPPMLYGOOJ-UONOGXRCSA-N	2	0	281.448	0.586	10	30		CCEERP
CC[C@@](C)(C=O)C[NH+]1CCN(CC[NH+](C)C)CC1	ZINC000061653415	523629772	/nfs/dbraw/zinc/62/97/72/523629772.db2.gz	AGPHLFLHEJLDOP-CQSZACIVSA-N	2	0	255.406	0.781	10	30		CCEERP
C[NH+]=C(NCCO)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262785769	330031399	/nfs/dbraw/zinc/03/13/99/330031399.db2.gz	MJQPDHZPSQFBNC-NSHDSACASA-N	2	0	254.378	0.161	10	30		CCEERP
CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H](C)C(C)C	ZINC000262799833	330032297	/nfs/dbraw/zinc/03/22/97/330032297.db2.gz	VHESSPPMLYGOOJ-ZIAGYGMSSA-N	2	0	281.448	0.586	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(C2CC2)C1	ZINC000262779824	330031171	/nfs/dbraw/zinc/03/11/71/330031171.db2.gz	LGWGBQQDENUURD-OCCSQVGLSA-N	3	0	279.432	0.482	10	30		CCEERP
C=CC[NH+]1CCC(NC(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)CC1	ZINC000262820207	330034054	/nfs/dbraw/zinc/03/40/54/330034054.db2.gz	XYVPMYHGJNODLZ-ZFWWWQNUSA-N	2	0	294.443	0.963	10	30		CCEERP
C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000262025111	631761008	/nfs/dbraw/zinc/76/10/08/631761008.db2.gz	ZNDBPFOELBWDQE-ZYHUDNBSSA-N	2	0	294.403	0.772	10	30		CCEERP
C=CC[NH+]1CCC(NC(NC[C@@H]2CCC[C@H]2O)=[NH+]C)CC1	ZINC000262820200	330034070	/nfs/dbraw/zinc/03/40/70/330034070.db2.gz	XYVPMYHGJNODLZ-DZGCQCFKSA-N	2	0	294.443	0.963	10	30		CCEERP
C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262326082	330006171	/nfs/dbraw/zinc/00/61/71/330006171.db2.gz	TXWZQOGOSBZFQR-GFCCVEGCSA-N	2	0	295.431	0.257	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CN(C2CC2)CCO1)NC1CC1	ZINC000262471758	330015643	/nfs/dbraw/zinc/01/56/43/330015643.db2.gz	ACUZVKCXWZCNFV-GFCCVEGCSA-N	2	0	252.362	0.177	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000262791786	330031795	/nfs/dbraw/zinc/03/17/95/330031795.db2.gz	OKQFFRXGCKREST-COMQUAJESA-N	2	0	294.443	0.938	10	30		CCEERP
C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000245613790	649646546	/nfs/dbraw/zinc/64/65/46/649646546.db2.gz	MBVVYVCTTNRFCI-QWHCGFSZSA-N	2	0	297.447	0.405	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1	ZINC000248637639	389247504	/nfs/dbraw/zinc/24/75/04/389247504.db2.gz	QRLQYVULABFYNW-KKUMJFAQSA-N	2	0	275.396	0.527	10	30		CCEERP
C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261958239	631731301	/nfs/dbraw/zinc/73/13/01/631731301.db2.gz	JJRSCFURJDLKGP-WCQYABFASA-N	2	0	295.431	0.159	10	30		CCEERP
N#Cc1cnc(Nc2cc(NCCC[NH3+])c(N)c[nH+]2)cn1	ZINC000098178643	349654082	/nfs/dbraw/zinc/65/40/82/349654082.db2.gz	DRSNLIAXOITDFE-UHFFFAOYSA-N	2	0	284.327	0.830	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1	ZINC000186925231	329350257	/nfs/dbraw/zinc/35/02/57/329350257.db2.gz	QRLQYVULABFYNW-RRFJBIMHSA-N	2	0	275.396	0.527	10	30		CCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC(=O)N1	ZINC000262926048	330036914	/nfs/dbraw/zinc/03/69/14/330036914.db2.gz	ZVAPMZLLJSSBPM-RYUDHWBXSA-N	2	0	281.404	0.044	10	30		CCEERP
CN1CCC[NH+]=C1NC[C@@H]1CN(C2CC2)CCO1	ZINC000263145211	330045598	/nfs/dbraw/zinc/04/55/98/330045598.db2.gz	ORNNCNZJDGNHLF-GFCCVEGCSA-N	2	0	252.362	0.131	10	30		CCEERP
CC[N@H+](CCO)Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609417	521121993	/nfs/dbraw/zinc/12/19/93/521121993.db2.gz	JCXDQRIJEFMIRI-UHFFFAOYSA-N	2	0	250.317	0.950	10	30		CCEERP
COc1ccc(C#CC[NH3+])cc1C[N@@H+]1CC[C@@H](O)C1	ZINC000061711461	523514008	/nfs/dbraw/zinc/51/40/08/523514008.db2.gz	YVSSJYBYAUMKPB-CQSZACIVSA-N	2	0	260.337	0.572	10	30		CCEERP
C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261980190	624962278	/nfs/dbraw/zinc/96/22/78/624962278.db2.gz	OSJSVGWGYRBDNQ-BFHYXJOUSA-N	2	0	298.431	0.296	10	30		CCEERP
C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000262012606	631755362	/nfs/dbraw/zinc/75/53/62/631755362.db2.gz	WYJXMAFKJUKUOR-QWHCGFSZSA-N	2	0	282.432	0.795	10	30		CCEERP
C[NH+](C)[C@H]1CCN(C(=O)c2sccc2C#CC[NH3+])C1	ZINC000104292856	185957541	/nfs/dbraw/zinc/95/75/41/185957541.db2.gz	PKHHOQMXFYSAOD-LBPRGKRZSA-N	2	0	277.393	0.834	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1	ZINC000195336389	389124450	/nfs/dbraw/zinc/12/44/50/389124450.db2.gz	IZJAKAVHNWQMAA-OAHLLOKOSA-N	2	0	275.396	0.638	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCC[N@@H+]1C	ZINC000262832190	330034713	/nfs/dbraw/zinc/03/47/13/330034713.db2.gz	RRTXHYKUXAHPDW-RYUDHWBXSA-N	2	0	254.378	0.282	10	30		CCEERP
CC[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+]1C	ZINC000113869205	528809264	/nfs/dbraw/zinc/80/92/64/528809264.db2.gz	JYDPAERJVGAABX-STQMWFEESA-N	2	0	268.405	0.815	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12	ZINC000249839931	261258695	/nfs/dbraw/zinc/25/86/95/261258695.db2.gz	NMASOULQNADSRA-RQJABVFESA-N	2	0	280.416	0.943	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12	ZINC000249839937	261258705	/nfs/dbraw/zinc/25/87/05/261258705.db2.gz	NMASOULQNADSRA-XJFOESAGSA-N	2	0	280.416	0.943	10	30		CCEERP
C[NH+]=C(NCC1CCC1)N1CC[C@@H](N2CCOCC2)C1	ZINC000262429430	330009990	/nfs/dbraw/zinc/00/99/90/330009990.db2.gz	DMRJWTLULKCUFI-CQSZACIVSA-N	2	0	280.416	0.768	10	30		CCEERP
C[NH+]=C(NCCNC(C)=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262882542	330036006	/nfs/dbraw/zinc/03/60/06/330036006.db2.gz	FPPHKALEDWDFIR-ZDUSSCGKSA-N	2	0	295.431	0.304	10	30		CCEERP
Cn1cc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1C#N	ZINC000190972818	130166558	/nfs/dbraw/zinc/16/65/58/130166558.db2.gz	SAQJYIKYWCADRQ-UHFFFAOYSA-N	2	0	276.384	0.691	10	30		CCEERP
C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000105862500	330330512	/nfs/dbraw/zinc/33/05/12/330330512.db2.gz	OZMHUSFFPRXCMH-KGLIPLIRSA-N	2	0	295.427	0.149	10	30		CCEERP
CC[N@H+](CCO)Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609416	521121970	/nfs/dbraw/zinc/12/19/70/521121970.db2.gz	DQQHGSKZPXKBPU-UHFFFAOYSA-N	2	0	250.317	0.950	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCO[C@@H](COC)C1	ZINC000261644270	624812983	/nfs/dbraw/zinc/81/29/83/624812983.db2.gz	ALJDAEVIWZJILR-QWHCGFSZSA-N	2	0	284.404	0.003	10	30		CCEERP
C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261996566	631747092	/nfs/dbraw/zinc/74/70/92/631747092.db2.gz	SPQCENJUBBUGRP-MELADBBJSA-N	3	0	283.464	0.830	10	30		CCEERP
C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000247200871	389236729	/nfs/dbraw/zinc/23/67/29/389236729.db2.gz	OZMHUSFFPRXCMH-ZIAGYGMSSA-N	2	0	295.427	0.149	10	30		CCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(C2CC2)C1	ZINC000262808225	330033041	/nfs/dbraw/zinc/03/30/41/330033041.db2.gz	QKQSIZFFNMOOBG-ZFWWWQNUSA-N	3	0	293.459	0.872	10	30		CCEERP
c1cc([NH+]=C(N2CC2)N2CC2)ccc1[NH+]=C(N1CC1)N1CC1	ZINC000584614838	534974943	/nfs/dbraw/zinc/97/49/43/534974943.db2.gz	JGZGILJELWGPJI-UHFFFAOYSA-N	2	0	296.378	0.924	10	30		CCEERP
Cn1cncc1CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1	ZINC000329639222	389181663	/nfs/dbraw/zinc/18/16/63/389181663.db2.gz	ZEAYEOWHRNOZSQ-CHWSQXEVSA-N	2	0	293.371	0.239	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@]2(CCOC2)C1	ZINC000261991806	631745177	/nfs/dbraw/zinc/74/51/77/631745177.db2.gz	RLUMQVKZQVLHIZ-DZGCQCFKSA-N	2	0	280.416	0.768	10	30		CCEERP
C[NH+]=C(NCCNC(C)=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262882537	330036103	/nfs/dbraw/zinc/03/61/03/330036103.db2.gz	FPPHKALEDWDFIR-CYBMUJFWSA-N	2	0	295.431	0.304	10	30		CCEERP
C[NH2+]CC1CC[NH+](CC(=O)N(C)CCC#N)CC1	ZINC000063165893	517971366	/nfs/dbraw/zinc/97/13/66/517971366.db2.gz	XAKWAOZQMCRXNV-UHFFFAOYSA-N	2	0	252.362	0.290	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12	ZINC000190092650	264390895	/nfs/dbraw/zinc/39/08/95/264390895.db2.gz	NMASOULQNADSRA-AAVRWANBSA-N	2	0	280.416	0.943	10	30		CCEERP
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1	ZINC000186925196	329350371	/nfs/dbraw/zinc/35/03/71/329350371.db2.gz	QRLQYVULABFYNW-ZNMIVQPWSA-N	2	0	275.396	0.527	10	30		CCEERP
C[NH+]=C(NCCO)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262785768	330031360	/nfs/dbraw/zinc/03/13/60/330031360.db2.gz	MJQPDHZPSQFBNC-LLVKDONJSA-N	2	0	254.378	0.161	10	30		CCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCCO1	ZINC000113862079	526413892	/nfs/dbraw/zinc/41/38/92/526413892.db2.gz	DUBZVYFFFLMVMN-NEPJUHHUSA-N	2	0	254.378	0.425	10	30		CCEERP
N#CCCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000594438294	360306769	/nfs/dbraw/zinc/30/67/69/360306769.db2.gz	NUIOESUWWXXLHC-QWHCGFSZSA-N	2	0	264.373	0.704	10	30		CCEERP
CC[N@H+](CCO)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609414	521119589	/nfs/dbraw/zinc/11/95/89/521119589.db2.gz	FIBYIBASYHNVOC-UHFFFAOYSA-N	2	0	250.317	0.950	10	30		CCEERP
CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCCO1	ZINC000113869208	528828492	/nfs/dbraw/zinc/82/84/92/528828492.db2.gz	JYDPAERJVGAABX-OLZOCXBDSA-N	2	0	268.405	0.815	10	30		CCEERP
C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261971665	631740325	/nfs/dbraw/zinc/74/03/25/631740325.db2.gz	MXWNRXNLKFTSPS-UONOGXRCSA-N	2	0	292.431	0.777	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@]2(CCOC2)C1	ZINC000261991811	631745230	/nfs/dbraw/zinc/74/52/30/631745230.db2.gz	RLUMQVKZQVLHIZ-ZFWWWQNUSA-N	2	0	280.416	0.768	10	30		CCEERP
N#CCCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000594438293	360307695	/nfs/dbraw/zinc/30/76/95/360307695.db2.gz	NUIOESUWWXXLHC-OLZOCXBDSA-N	2	0	264.373	0.704	10	30		CCEERP
C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158430819	649306135	/nfs/dbraw/zinc/30/61/35/649306135.db2.gz	ZNDBPFOELBWDQE-CMPLNLGQSA-N	2	0	294.403	0.772	10	30		CCEERP
CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1	ZINC000594440497	360310499	/nfs/dbraw/zinc/31/04/99/360310499.db2.gz	DPJOYDCNXCQSFS-OLZOCXBDSA-N	2	0	266.389	0.998	10	30		CCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1O	ZINC000262503267	330018389	/nfs/dbraw/zinc/01/83/89/330018389.db2.gz	ATGZVFYNLOMVKM-XQQFMLRXSA-N	2	0	268.405	0.536	10	30		CCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@H]1CCC(=O)NC1	ZINC000262785814	330031371	/nfs/dbraw/zinc/03/13/71/330031371.db2.gz	MMNKAGMYMCWPAT-LBPRGKRZSA-N	2	0	295.431	0.304	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262821928	330034262	/nfs/dbraw/zinc/03/42/62/330034262.db2.gz	YOFKNSVOTZCFMR-ZNMIVQPWSA-N	2	0	292.427	0.669	10	30		CCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N(C)C[C@@H]1CCOC1	ZINC000261726194	631549948	/nfs/dbraw/zinc/54/99/48/631549948.db2.gz	XPFTYLARUHCFDA-STQMWFEESA-N	2	0	268.405	0.624	10	30		CCEERP