smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CC1	ZINC000117300294	415732983	/nfs/dbraw/zinc/73/29/83/415732983.db2.gz	ODOZTGGALLUVIV-KRWDZBQOSA-N	2	0	321.465	0.901	10	30		DCEERP
C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261958161	526347081	/nfs/dbraw/zinc/34/70/81/526347081.db2.gz	JIQMBAVOOAJTAI-CHWSQXEVSA-N	2	0	311.474	0.795	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261933389	526370311	/nfs/dbraw/zinc/37/03/11/526370311.db2.gz	LUVBNWAYLDYAFZ-AWEZNQCLSA-N	2	0	323.485	0.987	10	30		DCEERP
C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261953210	526382018	/nfs/dbraw/zinc/38/20/18/526382018.db2.gz	HYIAPVUZMWSTGM-DGCLKSJQSA-N	2	0	321.425	0.772	10	30		DCEERP
CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CCN(C(C)=O)CC1	ZINC000263275818	528805034	/nfs/dbraw/zinc/80/50/34/528805034.db2.gz	YJTREIVYTWELTB-HNNXBMFYSA-N	2	0	323.485	0.990	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCOCC1	ZINC000303875553	685207142	/nfs/dbraw/zinc/20/71/42/685207142.db2.gz	DMSGQPYVVKDAAU-HNNXBMFYSA-N	3	0	311.474	0.487	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CCOC	ZINC000303973006	685209597	/nfs/dbraw/zinc/20/95/97/685209597.db2.gz	GICMZCGWBWQPCQ-HUUCEWRRSA-N	3	0	311.474	0.486	10	30		DCEERP
C[NH+]=C(NC1CCC1)NC1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000262752252	526344005	/nfs/dbraw/zinc/34/40/05/526344005.db2.gz	AAAHRNNMYJPYOI-UHFFFAOYSA-N	2	0	309.458	0.647	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261933763	526371661	/nfs/dbraw/zinc/37/16/61/526371661.db2.gz	BZAKEKXHKLDKGK-LBPRGKRZSA-N	2	0	316.471	0.023	10	30		DCEERP
C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCCC[C@H]1C	ZINC000303902344	685208384	/nfs/dbraw/zinc/20/83/84/685208384.db2.gz	TWDKOAVJSGMAPD-OAHLLOKOSA-N	2	0	311.474	0.358	10	30		DCEERP
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=[NH2+])NC2CC2)CC1	ZINC000304791953	685212225	/nfs/dbraw/zinc/21/22/25/685212225.db2.gz	SLSJGSYNXTVBIM-UHFFFAOYSA-N	2	0	309.458	0.680	10	30		DCEERP
CCc1nc(CCNC(=[NH+]C)N2CC[C@H]([NH+]3CC=CC3)C2)no1	ZINC000262800375	529733444	/nfs/dbraw/zinc/73/34/44/529733444.db2.gz	QXPLPWDVABRIPZ-ZDUSSCGKSA-N	2	0	318.425	0.696	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1	ZINC000417537309	397373520	/nfs/dbraw/zinc/37/35/20/397373520.db2.gz	ZFPMRTLDPFMBNZ-LBPRGKRZSA-N	2	0	302.369	0.933	10	30		DCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NCC1(C(=O)N(C)C)CCCC1	ZINC000262341010	526377427	/nfs/dbraw/zinc/37/74/27/526377427.db2.gz	AIPVTKPYCRMMQC-CQSZACIVSA-N	2	0	323.485	0.894	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1	ZINC000172135040	526429363	/nfs/dbraw/zinc/42/93/63/526429363.db2.gz	CUMMTJNLKHBSCZ-HNNXBMFYSA-N	2	0	310.442	0.609	10	30		DCEERP
C=CCNC(=O)NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1	ZINC000600755590	396937998	/nfs/dbraw/zinc/93/79/98/396937998.db2.gz	GMJXWXMCTHQMHR-AWEZNQCLSA-N	2	0	324.425	0.089	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261840599	278167867	/nfs/dbraw/zinc/16/78/67/278167867.db2.gz	WOCQWGSGHVEGOE-YOEHRIQHSA-N	2	0	321.469	0.648	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](N2CCOCC2)C1	ZINC000262480835	528809710	/nfs/dbraw/zinc/80/97/10/528809710.db2.gz	RMUODRQTEXIXQW-HOTGVXAUSA-N	2	0	323.485	0.453	10	30		DCEERP
C#CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000710937569	667447250	/nfs/dbraw/zinc/44/72/50/667447250.db2.gz	GSPKOSBFQMTYGV-ZIAGYGMSSA-N	2	0	301.456	0.011	10	30		DCEERP
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1	ZINC000595900363	396679286	/nfs/dbraw/zinc/67/92/86/396679286.db2.gz	DDIRRECXPJSLCC-CQSZACIVSA-N	2	0	308.426	0.710	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1	ZINC000627386304	417387792	/nfs/dbraw/zinc/38/77/92/417387792.db2.gz	LKMKFODYAGEFOF-JSGCOSHPSA-N	2	0	308.426	0.010	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000262478047	526370556	/nfs/dbraw/zinc/37/05/56/526370556.db2.gz	QQLPRDVRFSADFK-HIFRSBDPSA-N	2	0	304.442	0.879	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000248345621	526371631	/nfs/dbraw/zinc/37/16/31/526371631.db2.gz	MZAYHYDLJSHTLP-UONOGXRCSA-N	2	0	304.442	0.737	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261862231	526376593	/nfs/dbraw/zinc/37/65/93/526376593.db2.gz	ZLNSFKYNDAWNOT-IEBDPFPHSA-N	2	0	308.348	0.557	10	30		DCEERP
CC[NH+]1CCN(c2ccc(CNC3=[NH+]C[C@@H](C)N3)cn2)CC1	ZINC000262675136	529152947	/nfs/dbraw/zinc/15/29/47/529152947.db2.gz	SVEYGRKAKHFWSC-CYBMUJFWSA-N	2	0	302.426	0.661	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1	ZINC000419726092	416406303	/nfs/dbraw/zinc/40/63/03/416406303.db2.gz	JKBLUJIOTQRAPG-OAHLLOKOSA-N	2	0	322.453	0.401	10	30		DCEERP
C[NH+]=C(NCC[NH+]1CCCC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261816460	526356306	/nfs/dbraw/zinc/35/63/06/526356306.db2.gz	TZZIHSVZENFKSD-INIZCTEOSA-N	2	0	307.442	0.260	10	30		DCEERP
C[NH+]=C(NCc1nnc(C)n1C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000261979665	526392084	/nfs/dbraw/zinc/39/20/84/526392084.db2.gz	ONVYJPRLSDCCGJ-AGUYFDCRSA-N	2	0	319.457	0.804	10	30		DCEERP
CNC(=O)C(C)(C)CNC(N[C@@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C	ZINC000153894170	526412929	/nfs/dbraw/zinc/41/29/29/526412929.db2.gz	JHQKQDNNRBJRLN-CYBMUJFWSA-N	2	0	323.485	0.941	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1CCc2ncnn2C1	ZINC000152104052	526354437	/nfs/dbraw/zinc/35/44/37/526354437.db2.gz	XLQGTJJCVUSIBL-CYBMUJFWSA-N	2	0	319.457	0.632	10	30		DCEERP
C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261715022	526365736	/nfs/dbraw/zinc/36/57/36/526365736.db2.gz	HQQWCQQNKOLJHL-GXFFZTMASA-N	2	0	306.414	0.568	10	30		DCEERP
CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@H](N2CCOCC2)C1	ZINC000175525283	528805517	/nfs/dbraw/zinc/80/55/17/528805517.db2.gz	ZCPIFRKQAVKTFX-INIZCTEOSA-N	2	0	323.485	0.454	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261689209	528809330	/nfs/dbraw/zinc/80/93/30/528809330.db2.gz	DYFQRCAYVLQRCT-YOEHRIQHSA-N	2	0	321.469	0.506	10	30		DCEERP
CCc1nc(CCNC(=[NH+]C)N2CC[C@@H]([NH+]3CC=CC3)C2)no1	ZINC000262800373	662583210	/nfs/dbraw/zinc/58/32/10/662583210.db2.gz	QXPLPWDVABRIPZ-CYBMUJFWSA-N	2	0	318.425	0.696	10	30		DCEERP
C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCCN1CCOCC1	ZINC000303904152	685208683	/nfs/dbraw/zinc/20/86/83/685208683.db2.gz	UTNVGKBZCGHWES-HNNXBMFYSA-N	2	0	311.474	0.487	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CC1	ZINC000419458432	416402063	/nfs/dbraw/zinc/40/20/63/416402063.db2.gz	ZUQITWFNAVBJTP-CABCVRRESA-N	2	0	324.469	0.733	10	30		DCEERP
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000248859160	277320480	/nfs/dbraw/zinc/32/04/80/277320480.db2.gz	FNSRSGVCTRACGX-UONOGXRCSA-N	2	0	311.474	0.747	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@](C)(O)c1ccc(C)o1	ZINC000262478065	526371431	/nfs/dbraw/zinc/37/14/31/526371431.db2.gz	XOWLDYLKCMSLBK-BBRMVZONSA-N	2	0	308.426	0.912	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1	ZINC000419733320	276894242	/nfs/dbraw/zinc/89/42/42/276894242.db2.gz	UDCUYUUODWVLTE-GASCZTMLSA-N	2	0	320.437	0.106	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261748911	277751804	/nfs/dbraw/zinc/75/18/04/277751804.db2.gz	NGKVAMGXWRQDQE-HRCADAONSA-N	2	0	305.470	0.684	10	30		DCEERP
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C	ZINC000330181699	336121681	/nfs/dbraw/zinc/12/16/81/336121681.db2.gz	GUFPRTJHQNGUAK-RRCSTGOVSA-N	2	0	324.469	0.770	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1	ZINC000419691798	337491472	/nfs/dbraw/zinc/49/14/72/337491472.db2.gz	AJHQLVWVSTWERB-DZGCQCFKSA-N	2	0	322.453	0.257	10	30		DCEERP
C[NH+]=C(NCC[NH+]1CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261816463	526355714	/nfs/dbraw/zinc/35/57/14/526355714.db2.gz	TZZIHSVZENFKSD-MRXNPFEDSA-N	2	0	307.442	0.260	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(F)cc1	ZINC000262764991	526373428	/nfs/dbraw/zinc/37/34/28/526373428.db2.gz	FXUBGXRTMMFCFU-MRXNPFEDSA-N	2	0	319.428	0.833	10	30		DCEERP
COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2	ZINC000178990880	237242508	/nfs/dbraw/zinc/24/25/08/237242508.db2.gz	RQGHMLYZEFSZOC-CQSZACIVSA-N	2	0	303.410	0.559	10	30		DCEERP
C=CCOc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1	ZINC000565417320	416978057	/nfs/dbraw/zinc/97/80/57/416978057.db2.gz	VVJCVBOPMDHVKS-QGZVFWFLSA-N	2	0	319.449	0.949	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1	ZINC000627386306	417387719	/nfs/dbraw/zinc/38/77/19/417387719.db2.gz	LKMKFODYAGEFOF-TZMCWYRMSA-N	2	0	308.426	0.010	10	30		DCEERP
C=CCN1CC[C@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O	ZINC000530243377	417557770	/nfs/dbraw/zinc/55/77/70/417557770.db2.gz	XRJKUFHERZIHBW-CVEARBPZSA-N	2	0	307.438	0.864	10	30		DCEERP
C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000245693451	526345432	/nfs/dbraw/zinc/34/54/32/526345432.db2.gz	WMPMRKVRQVTIEC-UONOGXRCSA-N	2	0	309.458	0.503	10	30		DCEERP
C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261953211	526382103	/nfs/dbraw/zinc/38/21/03/526382103.db2.gz	HYIAPVUZMWSTGM-WCQYABFASA-N	2	0	321.425	0.772	10	30		DCEERP
CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262820170	528814708	/nfs/dbraw/zinc/81/47/08/528814708.db2.gz	XYNHPBYVBHYMMM-RYUDHWBXSA-N	2	0	320.359	0.821	10	30		DCEERP
C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)CCO)[C@H]2C)C[N@@H+]1C1CC1	ZINC000330202821	336123742	/nfs/dbraw/zinc/12/37/42/336123742.db2.gz	ZVBBFCTVYGNFDW-IXYNUQLISA-N	2	0	324.469	0.913	10	30		DCEERP
C[NH+]=C(NCC[NH+]1CCCC1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261813417	526357110	/nfs/dbraw/zinc/35/71/10/526357110.db2.gz	HWDWJQDBCVIATA-UHFFFAOYSA-N	2	0	323.485	0.989	10	30		DCEERP
C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158409229	526365774	/nfs/dbraw/zinc/36/57/74/526365774.db2.gz	OFBSGAWJOKHNON-WCQYABFASA-N	2	0	308.430	0.814	10	30		DCEERP
CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000248859163	527383379	/nfs/dbraw/zinc/38/33/79/527383379.db2.gz	FNSRSGVCTRACGX-ZIAGYGMSSA-N	2	0	311.474	0.747	10	30		DCEERP
CC(C)[NH+]1CCC(NC(NCC(=O)N(C)C)=[NH+]C2CC2)CC1	ZINC000262223971	528991342	/nfs/dbraw/zinc/99/13/42/528991342.db2.gz	LXLHNCSVIPBNQN-UHFFFAOYSA-N	2	0	309.458	0.645	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc2ccnn21	ZINC000262289450	529074811	/nfs/dbraw/zinc/07/48/11/529074811.db2.gz	GNYABFJLONCFME-GFCCVEGCSA-N	2	0	301.398	0.618	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CC1	ZINC000419458435	416402171	/nfs/dbraw/zinc/40/21/71/416402171.db2.gz	ZUQITWFNAVBJTP-LSDHHAIUSA-N	2	0	324.469	0.733	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)CN2CC[NH+](CC)CC2)CC1	ZINC000345315115	335316429	/nfs/dbraw/zinc/31/64/29/335316429.db2.gz	JMBIAPPOYXABSS-UHFFFAOYSA-N	2	0	308.470	0.781	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC(C)C)N[C@H]1CCC(=O)NC1	ZINC000261704794	526369043	/nfs/dbraw/zinc/36/90/43/526369043.db2.gz	JNTRADCRNJGCCW-GJZGRUSLSA-N	2	0	323.485	0.941	10	30		DCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261933391	526377259	/nfs/dbraw/zinc/37/72/59/526377259.db2.gz	LUVBNWAYLDYAFZ-CQSZACIVSA-N	2	0	323.485	0.987	10	30		DCEERP
COCc1ccccc1NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2	ZINC000178990889	237245228	/nfs/dbraw/zinc/24/52/28/237245228.db2.gz	RQGHMLYZEFSZOC-AWEZNQCLSA-N	2	0	303.410	0.559	10	30		DCEERP
C[NH+]=C(NCC(=O)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262753110	526345278	/nfs/dbraw/zinc/34/52/78/526345278.db2.gz	GZCGXWBQQMQFNQ-AWEZNQCLSA-N	2	0	321.469	0.791	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(Cc2ccon2)CC1	ZINC000261699684	526371748	/nfs/dbraw/zinc/37/17/48/526371748.db2.gz	GAUHQTKBNAPXAK-AWEZNQCLSA-N	2	0	320.441	0.319	10	30		DCEERP
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261955193	526392519	/nfs/dbraw/zinc/39/25/19/526392519.db2.gz	INXSJKWQPQXTCW-DGCLKSJQSA-N	2	0	307.446	0.517	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1	ZINC000262405482	526444800	/nfs/dbraw/zinc/44/48/00/526444800.db2.gz	YWZAMIZKHHBGTO-CVEARBPZSA-N	2	0	317.437	0.490	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(Cc2ccon2)CC1	ZINC000261769846	526370630	/nfs/dbraw/zinc/37/06/30/526370630.db2.gz	NWVKHQXJKJNIPG-HNNXBMFYSA-N	2	0	320.441	0.462	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NCC1(C(=O)N(C)C)CCCC1	ZINC000262341000	526370660	/nfs/dbraw/zinc/37/06/60/526370660.db2.gz	AIPVTKPYCRMMQC-AWEZNQCLSA-N	2	0	323.485	0.894	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@](C)(O)c1ccc(C)o1	ZINC000262478075	526371329	/nfs/dbraw/zinc/37/13/29/526371329.db2.gz	XOWLDYLKCMSLBK-XJKSGUPXSA-N	2	0	308.426	0.912	10	30		DCEERP
C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CC[C@H](N2CCOCC2)C1	ZINC000262427536	526376410	/nfs/dbraw/zinc/37/64/10/526376410.db2.gz	DDTJIDZFQXYDSV-JKSUJKDBSA-N	2	0	323.485	0.309	10	30		DCEERP
CC[NH+]1CCN(CCNC(=[NH2+])NCCc2cccs2)CC1	ZINC000303874136	685207483	/nfs/dbraw/zinc/20/74/83/685207483.db2.gz	CURCVRMOKGUFIQ-UHFFFAOYSA-N	2	0	309.483	0.832	10	30		DCEERP
C[C@@H]1CN(C(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)CCO1	ZINC000262444948	534271902	/nfs/dbraw/zinc/27/19/02/534271902.db2.gz	IMLVBPVWSMCFEG-CQSZACIVSA-N	2	0	310.442	0.667	10	30		DCEERP
C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245610213	526346351	/nfs/dbraw/zinc/34/63/51/526346351.db2.gz	LDKVEDNGRRPUTF-HUUCEWRRSA-N	2	0	323.485	0.893	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000245628971	526369971	/nfs/dbraw/zinc/36/99/71/526369971.db2.gz	CXKPOTIJIROOLS-CVEARBPZSA-N	2	0	323.485	0.310	10	30		DCEERP
CNC(=O)CC1CCN(C(NC[C@H]2CCC[N@@H+]2C)=[NH+]C)CC1	ZINC000153063564	526377350	/nfs/dbraw/zinc/37/73/50/526377350.db2.gz	LUXCQNLSLDNKDF-CQSZACIVSA-N	2	0	309.458	0.504	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CN(C)C(NCc1nnc(C)n1C)=[NH+]C	ZINC000261999463	529059671	/nfs/dbraw/zinc/05/96/71/529059671.db2.gz	TYSXXAQPZSQWFO-CYBMUJFWSA-N	2	0	307.446	0.615	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](N2CCOCC2)C1	ZINC000175524012	278168022	/nfs/dbraw/zinc/16/80/22/278168022.db2.gz	MSFZWYZKEHJWAB-HOTGVXAUSA-N	2	0	323.485	0.310	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261815455	526371975	/nfs/dbraw/zinc/37/19/75/526371975.db2.gz	TWXCVZMGGKZEDD-BBRMVZONSA-N	2	0	307.442	0.116	10	30		DCEERP
C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262814477	526372594	/nfs/dbraw/zinc/37/25/94/526372594.db2.gz	ROHFTQHRKYHRAR-UKRRQHHQSA-N	2	0	310.442	0.584	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000262421775	662377685	/nfs/dbraw/zinc/37/76/85/662377685.db2.gz	BGBSXFMGFGVZKO-HZPDHXFCSA-N	2	0	323.485	0.453	10	30		DCEERP
COc1cc(CN(C)CC(=O)N2CC[NH2+]CC2)ccc1C#N	ZINC000262469907	396143834	/nfs/dbraw/zinc/14/38/34/396143834.db2.gz	JEZBDQZSERISJF-UHFFFAOYSA-N	2	0	302.378	0.430	10	30		DCEERP
C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000261853226	526360613	/nfs/dbraw/zinc/36/06/13/526360613.db2.gz	YGQGTMHYKMOPNP-AWEZNQCLSA-N	2	0	322.457	0.757	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccco1	ZINC000303771043	685206203	/nfs/dbraw/zinc/20/62/03/685206203.db2.gz	CGRZIZGZVDSURX-LBPRGKRZSA-N	2	0	307.398	0.284	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1	ZINC000417537308	334957104	/nfs/dbraw/zinc/95/71/04/334957104.db2.gz	ZFPMRTLDPFMBNZ-GFCCVEGCSA-N	2	0	302.369	0.933	10	30		DCEERP
CCN(CCC#N)C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000171589099	279171583	/nfs/dbraw/zinc/17/15/83/279171583.db2.gz	FJMLETJQEMXSQV-OAHLLOKOSA-N	2	0	324.469	0.773	10	30		DCEERP
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)CCO)[C@H]2C)C[N@@H+]1C1CC1	ZINC000330202820	336123889	/nfs/dbraw/zinc/12/38/89/336123889.db2.gz	ZVBBFCTVYGNFDW-HGTKMLMNSA-N	2	0	324.469	0.913	10	30		DCEERP
CC[NH+](CC)[C@H](C)CNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261781830	528263505	/nfs/dbraw/zinc/26/35/05/528263505.db2.gz	PJSAEDHELOKTPG-RHSMWYFYSA-N	2	0	323.485	0.894	10	30		DCEERP
CC[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)N1CCN(C(C)=O)CC1	ZINC000263275824	528805454	/nfs/dbraw/zinc/80/54/54/528805454.db2.gz	YJTREIVYTWELTB-OAHLLOKOSA-N	2	0	323.485	0.990	10	30		DCEERP
C[C@H](CNC(=[NH2+])NCCc1cccs1)N1CC[NH+](C)CC1	ZINC000303984543	685209989	/nfs/dbraw/zinc/20/99/89/685209989.db2.gz	SEPFCVKYZXSELZ-CYBMUJFWSA-N	2	0	309.483	0.831	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)CC1	ZINC000246843309	416332436	/nfs/dbraw/zinc/33/24/36/416332436.db2.gz	MNILAHPZZZJRLM-DOTOQJQBSA-N	2	0	321.465	0.635	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@H](C[NH+]2CCCC2)C1	ZINC000262793440	526376066	/nfs/dbraw/zinc/37/60/66/526376066.db2.gz	PAUNMIAAJWMHKL-NEPJUHHUSA-N	2	0	322.375	0.903	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CCN(C(=O)CC)C1	ZINC000262014469	528810054	/nfs/dbraw/zinc/81/00/54/528810054.db2.gz	XKQSVINAZYHZCC-KBPBESRZSA-N	2	0	309.458	0.647	10	30		DCEERP
CC[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000262017985	528819067	/nfs/dbraw/zinc/81/90/67/528819067.db2.gz	YFPBVGQJTVJKPF-IUODEOHRSA-N	2	0	304.442	0.958	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179084902	526369875	/nfs/dbraw/zinc/36/98/75/526369875.db2.gz	CXKPOTIJIROOLS-HOTGVXAUSA-N	2	0	323.485	0.310	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1C[NH+](C(C)C)C[C@H]1C	ZINC000261993701	526373275	/nfs/dbraw/zinc/37/32/75/526373275.db2.gz	RXJMNXNGJHQZTO-BZUAXINKSA-N	3	0	324.517	0.126	10	30		DCEERP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1csc(C)n1	ZINC000261665123	526377550	/nfs/dbraw/zinc/37/75/50/526377550.db2.gz	GHVMIGQKEWLPSW-AWEZNQCLSA-N	2	0	324.498	0.705	10	30		DCEERP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc(F)cc1	ZINC000262764988	526378620	/nfs/dbraw/zinc/37/86/20/526378620.db2.gz	FXUBGXRTMMFCFU-INIZCTEOSA-N	2	0	319.428	0.833	10	30		DCEERP
C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCCN1CCOCC1	ZINC000303904153	685208553	/nfs/dbraw/zinc/20/85/53/685208553.db2.gz	UTNVGKBZCGHWES-OAHLLOKOSA-N	2	0	311.474	0.487	10	30		DCEERP
C=CCN1CC[C@@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O	ZINC000530243383	340783538	/nfs/dbraw/zinc/78/35/38/340783538.db2.gz	XRJKUFHERZIHBW-JKSUJKDBSA-N	2	0	307.438	0.864	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1csc(C)n1	ZINC000261665125	526372982	/nfs/dbraw/zinc/37/29/82/526372982.db2.gz	GHVMIGQKEWLPSW-CQSZACIVSA-N	2	0	324.498	0.705	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1	ZINC000627386305	417387760	/nfs/dbraw/zinc/38/77/60/417387760.db2.gz	LKMKFODYAGEFOF-OCCSQVGLSA-N	2	0	308.426	0.010	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261842485	526372622	/nfs/dbraw/zinc/37/26/22/526372622.db2.gz	WLGZMNWHLCGPDQ-HRCADAONSA-N	2	0	307.486	0.930	10	30		DCEERP
C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261835466	526376607	/nfs/dbraw/zinc/37/66/07/526376607.db2.gz	VYVRFFBWBVLEGD-RHSMWYFYSA-N	2	0	321.469	0.504	10	30		DCEERP
C=CCNC(NCC(=O)N(C)C)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000262262108	526956909	/nfs/dbraw/zinc/95/69/09/526956909.db2.gz	DZXVQKFWRINVOK-GOOCMWNKSA-N	2	0	321.469	0.811	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261837359	528811601	/nfs/dbraw/zinc/81/16/01/528811601.db2.gz	WHFMDKQUVKHJHD-FVQBIDKESA-N	2	0	323.485	0.355	10	30		DCEERP
COC1CC[NH+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1	ZINC000262488279	238175515	/nfs/dbraw/zinc/17/55/15/238175515.db2.gz	UBNXUXBRFYFRNR-ZDUSSCGKSA-N	2	0	312.458	0.911	10	30		DCEERP
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C	ZINC000330181698	336121470	/nfs/dbraw/zinc/12/14/70/336121470.db2.gz	GUFPRTJHQNGUAK-LUYZLQTOSA-N	2	0	324.469	0.770	10	30		DCEERP
C[NH+]=C(NCCn1cncn1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262922720	526368781	/nfs/dbraw/zinc/36/87/81/526368781.db2.gz	LBZDGLSQWXXVEZ-ZDUSSCGKSA-N	2	0	305.430	0.460	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1	ZINC000627386164	417388391	/nfs/dbraw/zinc/38/83/91/417388391.db2.gz	HVWUUYGETMOWIT-AWEZNQCLSA-N	2	0	320.437	0.154	10	30		DCEERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N(C)CCC#N)CC1	ZINC000131513148	341093255	/nfs/dbraw/zinc/09/32/55/341093255.db2.gz	KOTCMEMCFCAORW-HNNXBMFYSA-N	2	0	324.469	0.773	10	30		DCEERP
C=CCNC(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119644619	415747375	/nfs/dbraw/zinc/74/73/75/415747375.db2.gz	YWQFFVJQGAUKPZ-PMRDEQMMSA-N	2	0	320.481	0.920	10	30		DCEERP
C=C(C)CCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	ZINC000351846066	336073198	/nfs/dbraw/zinc/07/31/98/336073198.db2.gz	ZMRAIVPYBKCXST-UHFFFAOYSA-N	2	0	316.471	0.062	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc2ccnn21	ZINC000262289453	529101267	/nfs/dbraw/zinc/10/12/67/529101267.db2.gz	GNYABFJLONCFME-LBPRGKRZSA-N	2	0	301.398	0.618	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCOCC1	ZINC000303875554	685207282	/nfs/dbraw/zinc/20/72/82/685207282.db2.gz	DMSGQPYVVKDAAU-OAHLLOKOSA-N	3	0	311.474	0.487	10	30		DCEERP
CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C	ZINC000261983357	661941706	/nfs/dbraw/zinc/94/17/06/661941706.db2.gz	PJWIZBYOELWAMA-CHWSQXEVSA-N	2	0	311.474	0.652	10	30		DCEERP
CCn1cnnc1CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)=[NH+]C	ZINC000262010040	238169675	/nfs/dbraw/zinc/16/96/75/238169675.db2.gz	WKDXQGOHNFYHPH-CHWSQXEVSA-N	2	0	307.446	0.692	10	30		DCEERP
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2	ZINC000602876630	397509187	/nfs/dbraw/zinc/50/91/87/397509187.db2.gz	HPDHTWHBTLXFFX-CYBMUJFWSA-N	2	0	308.426	0.804	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CCN(CCOC)[C@@H](C)C2)CC1	ZINC000117285652	415733456	/nfs/dbraw/zinc/73/34/56/415733456.db2.gz	PUYRQDQZVJVCRO-HNNXBMFYSA-N	2	0	307.438	0.511	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@H]1CCc2ncnn2C1	ZINC000152104150	526353874	/nfs/dbraw/zinc/35/38/74/526353874.db2.gz	XLQGTJJCVUSIBL-ZDUSSCGKSA-N	2	0	319.457	0.632	10	30		DCEERP
C=CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000710331797	667446057	/nfs/dbraw/zinc/44/60/57/667446057.db2.gz	JLRDQQBJDXZVCW-ZIAGYGMSSA-N	2	0	303.472	0.564	10	30		DCEERP
C(CCC[NH+]=C(N1CC1)N1CC1)CC[NH+]=C(N1CC1)N1CC1	ZINC000584615811	337372685	/nfs/dbraw/zinc/37/26/85/337372685.db2.gz	HBAIAWCFOYGBOA-UHFFFAOYSA-N	2	0	304.442	0.521	10	30		DCEERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N(C)CCC#N)CC1	ZINC000131513324	341093233	/nfs/dbraw/zinc/09/32/33/341093233.db2.gz	KOTCMEMCFCAORW-OAHLLOKOSA-N	2	0	324.469	0.773	10	30		DCEERP
C[NH+]=C(NCC(=O)NC1CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262733207	526347347	/nfs/dbraw/zinc/34/73/47/526347347.db2.gz	BEAMPKXXOBMGQG-ZDUSSCGKSA-N	2	0	307.442	0.447	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261827094	526369943	/nfs/dbraw/zinc/36/99/43/526369943.db2.gz	VDFHFHIQWNQQJA-BBRMVZONSA-N	2	0	307.442	0.258	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N[C@H]1CCC(=O)NC1	ZINC000262830161	528809350	/nfs/dbraw/zinc/80/93/50/528809350.db2.gz	ZRRWRJLFQUXVJO-KBPBESRZSA-N	2	0	309.458	0.695	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261838463	528811427	/nfs/dbraw/zinc/81/14/27/528811427.db2.gz	WHFMDKQUVKHJHD-NUEKZKHPSA-N	2	0	323.485	0.355	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@H]1CCC(=O)N(C)C1	ZINC000262758567	662568435	/nfs/dbraw/zinc/56/84/35/662568435.db2.gz	CLHVYLONJPCQHU-ZDUSSCGKSA-N	2	0	309.458	0.647	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CCOC	ZINC000303973004	685209197	/nfs/dbraw/zinc/20/91/97/685209197.db2.gz	GICMZCGWBWQPCQ-CABCVRRESA-N	3	0	311.474	0.486	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1	ZINC000419726091	239934103	/nfs/dbraw/zinc/93/41/03/239934103.db2.gz	JKBLUJIOTQRAPG-HNNXBMFYSA-N	2	0	322.453	0.401	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCN(C2CC2)C(=O)C1	ZINC000262814107	526353821	/nfs/dbraw/zinc/35/38/21/526353821.db2.gz	WDRLBBVVSMXKRW-UHFFFAOYSA-N	2	0	321.469	0.743	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)N1CC[C@@]2(CCOC2)C1	ZINC000261937752	526370433	/nfs/dbraw/zinc/37/04/33/526370433.db2.gz	CWAJWJUHGHUVDE-DOTOQJQBSA-N	2	0	324.469	0.785	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261986496	526372487	/nfs/dbraw/zinc/37/24/87/526372487.db2.gz	QEYASFJJKGQEEW-RBSFLKMASA-N	2	0	311.474	0.211	10	30		DCEERP
CC[NH+]1CCN(c2ccc(CNC3=[NH+]C[C@H](C)N3)cn2)CC1	ZINC000262675139	529152999	/nfs/dbraw/zinc/15/29/99/529152999.db2.gz	SVEYGRKAKHFWSC-ZDUSSCGKSA-N	2	0	302.426	0.661	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CCN(CCOC)[C@H](C)C2)CC1	ZINC000117285650	415732512	/nfs/dbraw/zinc/73/25/12/415732512.db2.gz	PUYRQDQZVJVCRO-OAHLLOKOSA-N	2	0	307.438	0.511	10	30		DCEERP
C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261845778	275732959	/nfs/dbraw/zinc/73/29/59/275732959.db2.gz	XGXSAELAVLCMCZ-MRXNPFEDSA-N	2	0	309.458	0.552	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000261993699	526372998	/nfs/dbraw/zinc/37/29/98/526372998.db2.gz	RXJMNXNGJHQZTO-ARFHVFGLSA-N	3	0	324.517	0.126	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261655976	528812788	/nfs/dbraw/zinc/81/27/88/528812788.db2.gz	ADLFBDOBAZXANA-RBSFLKMASA-N	2	0	312.458	0.686	10	30		DCEERP
CC[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000262017987	528818966	/nfs/dbraw/zinc/81/89/66/528818966.db2.gz	YFPBVGQJTVJKPF-SWLSCSKDSA-N	2	0	304.442	0.958	10	30		DCEERP
CC[C@H](C)[N@H+](C)CCNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261755658	529687740	/nfs/dbraw/zinc/68/77/40/529687740.db2.gz	MJVPLWHZZCRSHQ-YOEHRIQHSA-N	2	0	323.485	0.894	10	30		DCEERP
CC[NH+]=C(NCCN1CCC1)N1CCN(C(=O)C(C)C)CC1	ZINC000261940845	658843193	/nfs/dbraw/zinc/84/31/93/658843193.db2.gz	XIJVCONFMQSUEU-UHFFFAOYSA-N	2	0	309.458	0.458	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)nn(C)c1C	ZINC000303868776	685206931	/nfs/dbraw/zinc/20/69/31/685206931.db2.gz	DNFNEFPDSLDURH-CQSZACIVSA-N	2	0	306.458	0.968	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1	ZINC000458334004	397429411	/nfs/dbraw/zinc/42/94/11/397429411.db2.gz	MDUATNPNMOZXLQ-MRXNPFEDSA-N	2	0	324.469	0.783	10	30		DCEERP
C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261990726	526392217	/nfs/dbraw/zinc/39/22/17/526392217.db2.gz	RDUIKYDLKGNTDP-QWHCGFSZSA-N	2	0	319.457	0.618	10	30		DCEERP
C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000261951597	526392315	/nfs/dbraw/zinc/39/23/15/526392315.db2.gz	HOJUECSLMUTNHB-ZDUSSCGKSA-N	2	0	319.457	0.805	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1	ZINC000358819502	526432318	/nfs/dbraw/zinc/43/23/18/526432318.db2.gz	QLVBDAKDNNKBAM-UHFFFAOYSA-N	2	0	303.410	0.865	10	30		DCEERP
CCN1CC[NH+](CCCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1	ZINC000303268244	662445910	/nfs/dbraw/zinc/44/59/10/662445910.db2.gz	YOGFYEPEAOGCCC-HNNXBMFYSA-N	2	0	311.474	0.487	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261699485	285253565	/nfs/dbraw/zinc/25/35/65/285253565.db2.gz	FYTNHZUSKLKLJA-PBHICJAKSA-N	2	0	321.469	0.648	10	30		DCEERP
C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262733204	526347466	/nfs/dbraw/zinc/34/74/66/526347466.db2.gz	BEAMPKXXOBMGQG-CYBMUJFWSA-N	2	0	307.442	0.447	10	30		DCEERP
C[NH+]=C(NCC(C)(C)[NH+](C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261666622	526348863	/nfs/dbraw/zinc/34/88/63/526348863.db2.gz	BMQLNDWLCDTDQV-INIZCTEOSA-N	2	0	309.458	0.504	10	30		DCEERP
C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261656830	526361270	/nfs/dbraw/zinc/36/12/70/526361270.db2.gz	AFIFJHAFJIUUAV-UHFFFAOYSA-N	2	0	318.487	0.459	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CCOC	ZINC000303973007	685209415	/nfs/dbraw/zinc/20/94/15/685209415.db2.gz	GICMZCGWBWQPCQ-LSDHHAIUSA-N	3	0	311.474	0.486	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)NC1CC[NH+](C2CC2)CC1	ZINC000262813200	276843540	/nfs/dbraw/zinc/84/35/40/276843540.db2.gz	VUZCICUOQBBORN-NSHDSACASA-N	2	0	308.348	0.701	10	30		DCEERP
C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261670503	526348988	/nfs/dbraw/zinc/34/89/88/526348988.db2.gz	BYVPQJOMYWSJBP-QGZVFWFLSA-N	2	0	323.485	0.752	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)nn(C)c1C	ZINC000303868773	685207423	/nfs/dbraw/zinc/20/74/23/685207423.db2.gz	DNFNEFPDSLDURH-AWEZNQCLSA-N	2	0	306.458	0.968	10	30		DCEERP
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1	ZINC000595900362	396679504	/nfs/dbraw/zinc/67/95/04/396679504.db2.gz	DDIRRECXPJSLCC-AWEZNQCLSA-N	2	0	308.426	0.710	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1	ZINC000419691802	416405245	/nfs/dbraw/zinc/40/52/45/416405245.db2.gz	AJHQLVWVSTWERB-UKRRQHHQSA-N	2	0	322.453	0.257	10	30		DCEERP
C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261835859	526377579	/nfs/dbraw/zinc/37/75/79/526377579.db2.gz	JKUKNWUBJRXFRA-CQSZACIVSA-N	2	0	323.485	0.845	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CN(C)C(NCc1nnc(C)n1C)=[NH+]C	ZINC000261999466	529092508	/nfs/dbraw/zinc/09/25/08/529092508.db2.gz	TYSXXAQPZSQWFO-ZDUSSCGKSA-N	2	0	307.446	0.615	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CCN(CCOCC)[C@@H](C)C2)CC1	ZINC000117275866	415733369	/nfs/dbraw/zinc/73/33/69/415733369.db2.gz	PSYNCVGJTFUJSD-INIZCTEOSA-N	2	0	321.465	0.901	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1	ZINC000627385931	417387042	/nfs/dbraw/zinc/38/70/42/417387042.db2.gz	AGUYYTCFLZYVSA-UKRRQHHQSA-N	2	0	322.453	0.400	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1	ZINC000627386165	417387453	/nfs/dbraw/zinc/38/74/53/417387453.db2.gz	HVWUUYGETMOWIT-CQSZACIVSA-N	2	0	320.437	0.154	10	30		DCEERP
C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261952715	526347596	/nfs/dbraw/zinc/34/75/96/526347596.db2.gz	HUENXHAGKMFXKK-DGCLKSJQSA-N	2	0	309.458	0.549	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1	ZINC000458334002	397429301	/nfs/dbraw/zinc/42/93/01/397429301.db2.gz	MDUATNPNMOZXLQ-INIZCTEOSA-N	2	0	324.469	0.783	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1	ZINC000627386303	417388516	/nfs/dbraw/zinc/38/85/16/417388516.db2.gz	LKMKFODYAGEFOF-GXTWGEPZSA-N	2	0	308.426	0.010	10	30		DCEERP
C(#CCN1CC[NH+](C2CC2)CC1)CN1CC[NH+](C2CC2)CC1	ZINC000429684323	338087323	/nfs/dbraw/zinc/08/73/23/338087323.db2.gz	JUKWKOBRMXMBOH-UHFFFAOYSA-N	2	0	302.466	0.550	10	30		DCEERP
C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@H](N2CCOCC2)C1	ZINC000175519676	526356591	/nfs/dbraw/zinc/35/65/91/526356591.db2.gz	VTPFIYSEZDAPSY-OAHLLOKOSA-N	2	0	309.458	0.064	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2nnc(C)n2C1	ZINC000262514432	529072822	/nfs/dbraw/zinc/07/28/22/529072822.db2.gz	FNZNDGGAIIQEGK-ZIAGYGMSSA-N	2	0	319.457	0.538	10	30		DCEERP
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261976724	661938929	/nfs/dbraw/zinc/93/89/29/661938929.db2.gz	NWLNZFACQQQYNR-GZBFAFLISA-N	2	0	314.499	0.748	10	30		DCEERP
C=CCNC(=O)NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1	ZINC000600755591	396938012	/nfs/dbraw/zinc/93/80/12/396938012.db2.gz	GMJXWXMCTHQMHR-CQSZACIVSA-N	2	0	324.425	0.089	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1	ZINC000171740249	526433590	/nfs/dbraw/zinc/43/35/90/526433590.db2.gz	ANNNCFQKTSDMFU-MRXNPFEDSA-N	2	0	324.469	0.783	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262514429	529075151	/nfs/dbraw/zinc/07/51/51/529075151.db2.gz	FNZNDGGAIIQEGK-UONOGXRCSA-N	2	0	319.457	0.538	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1CCC(=O)N(C)C1	ZINC000262758566	658204600	/nfs/dbraw/zinc/20/46/00/658204600.db2.gz	CLHVYLONJPCQHU-CYBMUJFWSA-N	2	0	309.458	0.647	10	30		DCEERP
C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000245610217	685157971	/nfs/dbraw/zinc/15/79/71/685157971.db2.gz	LDKVEDNGRRPUTF-LSDHHAIUSA-N	2	0	323.485	0.893	10	30		DCEERP
C[N@@H+]1CCCN(CCNC(=[NH2+])NCCc2cccs2)CC1	ZINC000303875169	685207394	/nfs/dbraw/zinc/20/73/94/685207394.db2.gz	HMDIFSCNTKCJIY-UHFFFAOYSA-N	2	0	309.483	0.832	10	30		DCEERP
C=CCN1CC[C@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O	ZINC000530243379	417557816	/nfs/dbraw/zinc/55/78/16/417557816.db2.gz	XRJKUFHERZIHBW-HOTGVXAUSA-N	2	0	307.438	0.864	10	30		DCEERP
CNC(=O)CC1CCN(C(NC[C@@H]2CCC[N@@H+]2C)=[NH+]C)CC1	ZINC000153063468	526370343	/nfs/dbraw/zinc/37/03/43/526370343.db2.gz	LUXCQNLSLDNKDF-AWEZNQCLSA-N	2	0	309.458	0.504	10	30		DCEERP
C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261933762	526377151	/nfs/dbraw/zinc/37/71/51/526377151.db2.gz	BZAKEKXHKLDKGK-GFCCVEGCSA-N	2	0	316.471	0.023	10	30		DCEERP
C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261958167	526347057	/nfs/dbraw/zinc/34/70/57/526347057.db2.gz	JIQMBAVOOAJTAI-QWHCGFSZSA-N	2	0	311.474	0.795	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262835376	528813282	/nfs/dbraw/zinc/81/32/82/528813282.db2.gz	WECGLXKJDNOLDQ-GDBMZVCRSA-N	2	0	324.469	0.974	10	30		DCEERP
CC[NH+]=C(NCC[N@H+](C)C(C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261774662	528828935	/nfs/dbraw/zinc/82/89/35/528828935.db2.gz	ONTDYUAVTKFXHS-KRWDZBQOSA-N	2	0	323.485	0.894	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CN(C)C(NC[C@@]1(O)CCSC1)=[NH+]C	ZINC000262343854	285232840	/nfs/dbraw/zinc/23/28/40/285232840.db2.gz	DAMHTRXIXMGESP-HIFRSBDPSA-N	2	0	314.499	0.846	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CCN(CCOCC)[C@H](C)C2)CC1	ZINC000117275870	415731376	/nfs/dbraw/zinc/73/13/76/415731376.db2.gz	PSYNCVGJTFUJSD-MRXNPFEDSA-N	2	0	321.465	0.901	10	30		DCEERP
C[NH+]1CCC(O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1	ZINC000329809963	336084649	/nfs/dbraw/zinc/08/46/49/336084649.db2.gz	QKTIPCTUQZMTGA-GOOCMWNKSA-N	2	0	324.469	0.962	10	30		DCEERP
C[C@H]1CN(C(=[NH2+])NCC2([NH+]3CCCC3)CCOCC2)CCO1	ZINC000262444946	533791384	/nfs/dbraw/zinc/79/13/84/533791384.db2.gz	IMLVBPVWSMCFEG-AWEZNQCLSA-N	2	0	310.442	0.667	10	30		DCEERP
C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261978256	526365902	/nfs/dbraw/zinc/36/59/02/526365902.db2.gz	OFBSGAWJOKHNON-DGCLKSJQSA-N	2	0	308.430	0.814	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262772573	526376038	/nfs/dbraw/zinc/37/60/38/526376038.db2.gz	IFDMBOXUHZBKFS-MNOVXSKESA-N	2	0	306.332	0.431	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261965004	526376268	/nfs/dbraw/zinc/37/62/68/526376268.db2.gz	LENGDZJUXMWPCX-AXFHLTTASA-N	2	0	310.364	0.803	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C(C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261757771	526413238	/nfs/dbraw/zinc/41/32/38/526413238.db2.gz	MPSMICLMNRGEFC-INIZCTEOSA-N	2	0	309.458	0.504	10	30		DCEERP
CC[NH+]=C(NCC[N@H+](C)C(C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261774663	528828418	/nfs/dbraw/zinc/82/84/18/528828418.db2.gz	ONTDYUAVTKFXHS-QGZVFWFLSA-N	2	0	323.485	0.894	10	30		DCEERP
C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261976729	657862200	/nfs/dbraw/zinc/86/22/00/657862200.db2.gz	NWLNZFACQQQYNR-UMVBOHGHSA-N	2	0	314.499	0.748	10	30		DCEERP
CSC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CC[NH+](C)CC1	ZINC000262368134	238173004	/nfs/dbraw/zinc/17/30/04/238173004.db2.gz	KZOVYNQCIVSXKI-LBPRGKRZSA-N	2	0	300.472	0.897	10	30		DCEERP
CSC1(CNC(=[NH2+])N2CCO[C@@H](C)C2)CC[NH+](C)CC1	ZINC000262414676	238173545	/nfs/dbraw/zinc/17/35/45/238173545.db2.gz	YQDLIYKGIDHALU-LBPRGKRZSA-N	2	0	300.472	0.849	10	30		DCEERP
COC1CC[NH+](C(C)(C)CNC(=[NH2+])N2CCO[C@H](C)C2)CC1	ZINC000262488278	238175853	/nfs/dbraw/zinc/17/58/53/238175853.db2.gz	UBNXUXBRFYFRNR-CYBMUJFWSA-N	2	0	312.458	0.911	10	30		DCEERP
C=CCOc1ccccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1	ZINC000569837527	417302837	/nfs/dbraw/zinc/30/28/37/417302837.db2.gz	SQFIFUBZBSUMBY-KRWDZBQOSA-N	2	0	319.449	0.949	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CCN(C(=O)CC)C1	ZINC000262014470	528810103	/nfs/dbraw/zinc/81/01/03/528810103.db2.gz	XKQSVINAZYHZCC-KGLIPLIRSA-N	2	0	309.458	0.647	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CC1	ZINC000246843321	416332313	/nfs/dbraw/zinc/33/23/13/416332313.db2.gz	MNILAHPZZZJRLM-RDJZCZTQSA-N	2	0	321.465	0.635	10	30		DCEERP
CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261681413	275802193	/nfs/dbraw/zinc/80/21/93/275802193.db2.gz	DEDAIMIMYYYEAV-QGZVFWFLSA-N	2	0	323.485	0.942	10	30		DCEERP
C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261670502	526348109	/nfs/dbraw/zinc/34/81/09/526348109.db2.gz	BYVPQJOMYWSJBP-KRWDZBQOSA-N	2	0	323.485	0.752	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)N1CC[C@]2(CCOC2)C1	ZINC000261937756	526370545	/nfs/dbraw/zinc/37/05/45/526370545.db2.gz	CWAJWJUHGHUVDE-RDJZCZTQSA-N	2	0	324.469	0.785	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2nnc(C)n2C1	ZINC000262514423	529100588	/nfs/dbraw/zinc/10/05/88/529100588.db2.gz	FNZNDGGAIIQEGK-KBPBESRZSA-N	2	0	319.457	0.538	10	30		DCEERP
CC[C@H](C)[N@H+](C)CCNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261755653	529687814	/nfs/dbraw/zinc/68/78/14/529687814.db2.gz	MJVPLWHZZCRSHQ-WMLDXEAASA-N	2	0	323.485	0.894	10	30		DCEERP
[NH2+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCCC2)CCOCC1	ZINC000262430260	238173583	/nfs/dbraw/zinc/17/35/83/238173583.db2.gz	SVGYMZPRFGLGIE-AWEZNQCLSA-N	2	0	310.442	0.715	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC(C)C)N[C@@H]1CCC(=O)NC1	ZINC000261704792	526369320	/nfs/dbraw/zinc/36/93/20/526369320.db2.gz	JNTRADCRNJGCCW-CABCVRRESA-N	2	0	323.485	0.941	10	30		DCEERP
C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CC[C@@H](N2CCOCC2)C1	ZINC000262427533	526376327	/nfs/dbraw/zinc/37/63/27/526376327.db2.gz	DDTJIDZFQXYDSV-HZPDHXFCSA-N	2	0	323.485	0.309	10	30		DCEERP
CC[NH+]=C(NCC[NH+]1CCCC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261776882	528804879	/nfs/dbraw/zinc/80/48/79/528804879.db2.gz	OTBIABXGWSVVEY-KRWDZBQOSA-N	2	0	321.469	0.650	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1	ZINC000627385930	417388402	/nfs/dbraw/zinc/38/84/02/417388402.db2.gz	AGUYYTCFLZYVSA-HIFRSBDPSA-N	2	0	322.453	0.400	10	30		DCEERP
C=CCOc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1	ZINC000565417315	333494873	/nfs/dbraw/zinc/49/48/73/333494873.db2.gz	VVJCVBOPMDHVKS-KRWDZBQOSA-N	2	0	319.449	0.949	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1	ZINC000419691804	337491531	/nfs/dbraw/zinc/49/15/31/337491531.db2.gz	AJHQLVWVSTWERB-ZFWWWQNUSA-N	2	0	322.453	0.257	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1	ZINC000529310012	340753021	/nfs/dbraw/zinc/75/30/21/340753021.db2.gz	ZLULAEQNEBIGNT-UHFFFAOYSA-N	2	0	310.442	0.834	10	30		DCEERP
C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@H](N2CCOCC2)C1	ZINC000262492955	526352580	/nfs/dbraw/zinc/35/25/80/526352580.db2.gz	VKTYFTKASZYKQG-INIZCTEOSA-N	2	0	323.485	0.310	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000262794091	526376363	/nfs/dbraw/zinc/37/63/63/526376363.db2.gz	PAUNMIAAJWMHKL-RYUDHWBXSA-N	2	0	322.375	0.903	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261965006	526376440	/nfs/dbraw/zinc/37/64/40/526376440.db2.gz	LENGDZJUXMWPCX-MXWKQRLJSA-N	2	0	310.364	0.803	10	30		DCEERP
CC[NH+](CC)[C@H](C)CNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261781829	528263066	/nfs/dbraw/zinc/26/30/66/528263066.db2.gz	PJSAEDHELOKTPG-PBHICJAKSA-N	2	0	323.485	0.894	10	30		DCEERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C1	ZINC000262302239	657515487	/nfs/dbraw/zinc/51/54/87/657515487.db2.gz	NYLZOKNMZGKARP-OCCSQVGLSA-N	2	0	309.458	0.501	10	30		DCEERP
C[NH+]=C(NC[C@@H](O)C(F)(F)F)NC1CC[NH+](C2CC2)CC1	ZINC000262813198	662872125	/nfs/dbraw/zinc/87/21/25/662872125.db2.gz	VUZCICUOQBBORN-LLVKDONJSA-N	2	0	308.348	0.701	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CC1	ZINC000419458434	416402142	/nfs/dbraw/zinc/40/21/42/416402142.db2.gz	ZUQITWFNAVBJTP-HUUCEWRRSA-N	2	0	324.469	0.733	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)CC1	ZINC000174601250	340392715	/nfs/dbraw/zinc/39/27/15/340392715.db2.gz	MNILAHPZZZJRLM-WBVHZDCISA-N	2	0	321.465	0.635	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](N2CCOCC2)C1	ZINC000262439150	526370099	/nfs/dbraw/zinc/37/00/99/526370099.db2.gz	HDEMNONNVFBWTC-GJZGRUSLSA-N	2	0	309.458	0.063	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261862229	526376187	/nfs/dbraw/zinc/37/61/87/526376187.db2.gz	ZLNSFKYNDAWNOT-GDPRMGEGSA-N	2	0	308.348	0.557	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@H](N2CCOCC2)C1	ZINC000248345364	278167947	/nfs/dbraw/zinc/16/79/47/278167947.db2.gz	MSFZWYZKEHJWAB-JKSUJKDBSA-N	2	0	323.485	0.310	10	30		DCEERP
CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261937513	528820483	/nfs/dbraw/zinc/82/04/83/528820483.db2.gz	CTILMADIRFXYTG-ZWNOBZJWSA-N	2	0	306.414	0.916	10	30		DCEERP
C=CCOc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	ZINC000569837528	417303029	/nfs/dbraw/zinc/30/30/29/417303029.db2.gz	SQFIFUBZBSUMBY-QGZVFWFLSA-N	2	0	319.449	0.949	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1	ZINC000553396847	341427845	/nfs/dbraw/zinc/42/78/45/341427845.db2.gz	ILLSSHJARAWULD-UHFFFAOYSA-N	2	0	324.469	0.553	10	30		DCEERP
C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262753112	526345394	/nfs/dbraw/zinc/34/53/94/526345394.db2.gz	GZCGXWBQQMQFNQ-CQSZACIVSA-N	2	0	321.469	0.791	10	30		DCEERP
C[NH+]=C(NCC[NH+]1CCCCC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261699668	526356389	/nfs/dbraw/zinc/35/63/89/526356389.db2.gz	GAQVRJOACGUUOI-KRWDZBQOSA-N	2	0	321.469	0.650	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2nnc(C)n2C1	ZINC000262514426	529100650	/nfs/dbraw/zinc/10/06/50/529100650.db2.gz	FNZNDGGAIIQEGK-KGLIPLIRSA-N	2	0	319.457	0.538	10	30		DCEERP
CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)=[NH+]C1CC1	ZINC000262268854	662279352	/nfs/dbraw/zinc/27/93/52/662279352.db2.gz	GKVGHTADKANQEN-GOOCMWNKSA-N	2	0	321.469	0.788	10	30		DCEERP
C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000303902342	685208641	/nfs/dbraw/zinc/20/86/41/685208641.db2.gz	TWDKOAVJSGMAPD-HNNXBMFYSA-N	2	0	311.474	0.358	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CN(C)C(NC[C@]1(O)CCSC1)=[NH+]C	ZINC000262343857	285232865	/nfs/dbraw/zinc/23/28/65/285232865.db2.gz	DAMHTRXIXMGESP-UKRRQHHQSA-N	2	0	314.499	0.846	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261986497	526372665	/nfs/dbraw/zinc/37/26/65/526372665.db2.gz	QEYASFJJKGQEEW-RRFJBIMHSA-N	2	0	311.474	0.211	10	30		DCEERP
C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(Cc2ccon2)CC1	ZINC000261699688	526377736	/nfs/dbraw/zinc/37/77/36/526377736.db2.gz	GAUHQTKBNAPXAK-CQSZACIVSA-N	2	0	320.441	0.319	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1	ZINC000117046836	415732547	/nfs/dbraw/zinc/73/25/47/415732547.db2.gz	XLZYFLDTAIUUQP-INIZCTEOSA-N	2	0	324.469	0.999	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1	ZINC000419691800	337491558	/nfs/dbraw/zinc/49/15/58/337491558.db2.gz	AJHQLVWVSTWERB-HIFRSBDPSA-N	2	0	322.453	0.257	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](N2CCOCC2)C1	ZINC000262480839	528809304	/nfs/dbraw/zinc/80/93/04/528809304.db2.gz	RMUODRQTEXIXQW-JKSUJKDBSA-N	2	0	323.485	0.453	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)CC1	ZINC000117300291	415732846	/nfs/dbraw/zinc/73/28/46/415732846.db2.gz	ODOZTGGALLUVIV-QGZVFWFLSA-N	2	0	321.465	0.901	10	30		DCEERP
C=CCN1CC[C@@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O	ZINC000530243381	340783569	/nfs/dbraw/zinc/78/35/69/340783569.db2.gz	XRJKUFHERZIHBW-HZPDHXFCSA-N	2	0	307.438	0.864	10	30		DCEERP
C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@@H](N2CCOCC2)C1	ZINC000262492956	526353308	/nfs/dbraw/zinc/35/33/08/526353308.db2.gz	VKTYFTKASZYKQG-MRXNPFEDSA-N	2	0	323.485	0.310	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](c2cnn(C)c2)C1	ZINC000262478053	526370158	/nfs/dbraw/zinc/37/01/58/526370158.db2.gz	QQLPRDVRFSADFK-ZFWWWQNUSA-N	2	0	304.442	0.879	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262753095	526373092	/nfs/dbraw/zinc/37/30/92/526373092.db2.gz	GYSJHBWZBDAOIB-GDBMZVCRSA-N	2	0	323.485	0.499	10	30		DCEERP
C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262814472	526373508	/nfs/dbraw/zinc/37/35/08/526373508.db2.gz	ROHFTQHRKYHRAR-DZGCQCFKSA-N	2	0	310.442	0.584	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000262800410	526375937	/nfs/dbraw/zinc/37/59/37/526375937.db2.gz	QZBLTKXHHYWTOH-KKZNHRDASA-N	2	0	308.348	0.700	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1	ZINC000172135036	526428223	/nfs/dbraw/zinc/42/82/23/526428223.db2.gz	CUMMTJNLKHBSCZ-OAHLLOKOSA-N	2	0	310.442	0.609	10	30		DCEERP
CC[N@H+](CCNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1)C(C)C	ZINC000261819972	528475901	/nfs/dbraw/zinc/47/59/01/528475901.db2.gz	UJOWPZHAFWWXPY-QGZVFWFLSA-N	2	0	323.485	0.894	10	30		DCEERP
CSC1(CNC(=[NH2+])N2CCO[C@H](C)C2)CC[NH+](C)CC1	ZINC000262414668	238173774	/nfs/dbraw/zinc/17/37/74/238173774.db2.gz	YQDLIYKGIDHALU-GFCCVEGCSA-N	2	0	300.472	0.849	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](N2CCOCC2)C1	ZINC000262439156	526370199	/nfs/dbraw/zinc/37/01/99/526370199.db2.gz	HDEMNONNVFBWTC-LSDHHAIUSA-N	2	0	309.458	0.063	10	30		DCEERP
C[NH+]=C(NCC[N@H+](C)C(C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261757772	526413109	/nfs/dbraw/zinc/41/31/09/526413109.db2.gz	MPSMICLMNRGEFC-MRXNPFEDSA-N	2	0	309.458	0.504	10	30		DCEERP
CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@H](N2CCOCC2)C1	ZINC000175525304	528805496	/nfs/dbraw/zinc/80/54/96/528805496.db2.gz	ZCPIFRKQAVKTFX-MRXNPFEDSA-N	2	0	323.485	0.454	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccco1	ZINC000303771042	685205849	/nfs/dbraw/zinc/20/58/49/685205849.db2.gz	CGRZIZGZVDSURX-GFCCVEGCSA-N	2	0	307.398	0.284	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000262800413	526376210	/nfs/dbraw/zinc/37/62/10/526376210.db2.gz	QZBLTKXHHYWTOH-NGZCFLSTSA-N	2	0	308.348	0.700	10	30		DCEERP
C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCN(Cc2ccon2)CC1	ZINC000261769847	526377450	/nfs/dbraw/zinc/37/74/50/526377450.db2.gz	NWVKHQXJKJNIPG-OAHLLOKOSA-N	2	0	320.441	0.462	10	30		DCEERP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1csc(C)n1	ZINC000261744409	526378332	/nfs/dbraw/zinc/37/83/32/526378332.db2.gz	MUVUBMUYDKMLML-AWEZNQCLSA-N	2	0	322.482	0.459	10	30		DCEERP
CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261937508	528819920	/nfs/dbraw/zinc/81/99/20/528819920.db2.gz	CTILMADIRFXYTG-GXFFZTMASA-N	2	0	306.414	0.916	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1	ZINC000117046833	415732729	/nfs/dbraw/zinc/73/27/29/415732729.db2.gz	XLZYFLDTAIUUQP-MRXNPFEDSA-N	2	0	324.469	0.999	10	30		DCEERP
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)CC1	ZINC000174601239	340392704	/nfs/dbraw/zinc/39/27/04/340392704.db2.gz	MNILAHPZZZJRLM-NVXWUHKLSA-N	2	0	321.465	0.635	10	30		DCEERP
C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261792878	526374492	/nfs/dbraw/zinc/37/44/92/526374492.db2.gz	QPTHKOVFCIIEBS-SUMWQHHRSA-N	2	0	321.469	0.647	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@H]([NH+]2CCCCC2)C1	ZINC000262421779	662377798	/nfs/dbraw/zinc/37/77/98/662377798.db2.gz	BGBSXFMGFGVZKO-JKSUJKDBSA-N	2	0	323.485	0.453	10	30		DCEERP
C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1	ZINC000132231538	669709312	/nfs/dbraw/zinc/70/93/12/669709312.db2.gz	ACDGAVWQNSWUTF-UONOGXRCSA-N	2	0	304.442	0.982	10	30		DCEERP
C=CCNC(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1	ZINC000119644749	415746623	/nfs/dbraw/zinc/74/66/23/415746623.db2.gz	YWQFFVJQGAUKPZ-VPSFDDGASA-N	2	0	320.481	0.920	10	30		DCEERP
CC[NH+]=C(NCC(C)(C)[NH+](C)C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261782774	278166120	/nfs/dbraw/zinc/16/61/20/278166120.db2.gz	PNKYWEIZXBRXFV-QGZVFWFLSA-N	2	0	323.485	0.894	10	30		DCEERP
C[NH+]1CCN(CCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1	ZINC000174248380	341825239	/nfs/dbraw/zinc/82/52/39/341825239.db2.gz	HUNAVQJZUHMAHN-UHFFFAOYSA-N	2	0	312.421	0.933	10	30		DCEERP
C[NH+]=C(NCCn1cncn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262922717	526369342	/nfs/dbraw/zinc/36/93/42/526369342.db2.gz	LBZDGLSQWXXVEZ-CYBMUJFWSA-N	2	0	305.430	0.460	10	30		DCEERP
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261955195	526392500	/nfs/dbraw/zinc/39/25/00/526392500.db2.gz	INXSJKWQPQXTCW-WCQYABFASA-N	2	0	307.446	0.517	10	30		DCEERP
CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCN(C2CC2)C(=O)C1	ZINC000262817229	528996789	/nfs/dbraw/zinc/99/67/89/528996789.db2.gz	VYHODIGWSBQIDN-OAHLLOKOSA-N	2	0	321.469	0.743	10	30		DCEERP
CC[N@@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261699487	285253828	/nfs/dbraw/zinc/25/38/28/285253828.db2.gz	FYTNHZUSKLKLJA-RHSMWYFYSA-N	2	0	321.469	0.648	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261689206	278167928	/nfs/dbraw/zinc/16/79/28/278167928.db2.gz	DYFQRCAYVLQRCT-WMLDXEAASA-N	2	0	321.469	0.506	10	30		DCEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1csc(C)n1	ZINC000261744411	526373342	/nfs/dbraw/zinc/37/33/42/526373342.db2.gz	MUVUBMUYDKMLML-CQSZACIVSA-N	2	0	322.482	0.459	10	30		DCEERP
C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000261951595	526392533	/nfs/dbraw/zinc/39/25/33/526392533.db2.gz	HOJUECSLMUTNHB-CYBMUJFWSA-N	2	0	319.457	0.805	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)CC1	ZINC000343765933	415717080	/nfs/dbraw/zinc/71/70/80/415717080.db2.gz	OEOUIGYJJWJUIP-CQSZACIVSA-N	2	0	324.469	0.600	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1	ZINC000627386150	417387437	/nfs/dbraw/zinc/38/74/37/417387437.db2.gz	HDOAFZSILHSWPD-GXTWGEPZSA-N	2	0	308.426	0.010	10	30		DCEERP
C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261764550	526352932	/nfs/dbraw/zinc/35/29/32/526352932.db2.gz	NJEXXYNITJKGTC-KRWDZBQOSA-N	2	0	321.469	0.506	10	30		DCEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC(=O)N(C(C)C)C(C)(C)C1	ZINC000261835855	526371821	/nfs/dbraw/zinc/37/18/21/526371821.db2.gz	JKUKNWUBJRXFRA-AWEZNQCLSA-N	2	0	323.485	0.845	10	30		DCEERP
CC[N@H+](CCNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1)C(C)C	ZINC000261819969	528475612	/nfs/dbraw/zinc/47/56/12/528475612.db2.gz	UJOWPZHAFWWXPY-KRWDZBQOSA-N	2	0	323.485	0.894	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261655980	528812468	/nfs/dbraw/zinc/81/24/68/528812468.db2.gz	ADLFBDOBAZXANA-RRFJBIMHSA-N	2	0	312.458	0.686	10	30		DCEERP
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C1	ZINC000262302243	657515279	/nfs/dbraw/zinc/51/52/79/657515279.db2.gz	NYLZOKNMZGKARP-TZMCWYRMSA-N	2	0	309.458	0.501	10	30		DCEERP
CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)=[NH+]C	ZINC000261983358	661941815	/nfs/dbraw/zinc/94/18/15/661941815.db2.gz	PJWIZBYOELWAMA-QWHCGFSZSA-N	2	0	311.474	0.652	10	30		DCEERP
C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1	ZINC000132231991	669709229	/nfs/dbraw/zinc/70/92/29/669709229.db2.gz	ACDGAVWQNSWUTF-ZIAGYGMSSA-N	2	0	304.442	0.982	10	30		DCEERP
C[NH+]1CCC(CNC(=[NH2+])N2CCOCC2)(N2CCCCC2)CC1	ZINC000262538488	530048364	/nfs/dbraw/zinc/04/83/64/530048364.db2.gz	QQISKGDICPPNCN-UHFFFAOYSA-N	2	0	323.485	0.584	10	30		DCEERP
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2	ZINC000602876631	397509009	/nfs/dbraw/zinc/50/90/09/397509009.db2.gz	HPDHTWHBTLXFFX-ZDUSSCGKSA-N	2	0	308.426	0.804	10	30		DCEERP
C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261952716	526346887	/nfs/dbraw/zinc/34/68/87/526346887.db2.gz	HUENXHAGKMFXKK-WCQYABFASA-N	2	0	309.458	0.549	10	30		DCEERP
C[C@@H](CNC(=[NH2+])NCCc1cccs1)N1CC[NH+](C)CC1	ZINC000303984544	685209328	/nfs/dbraw/zinc/20/93/28/685209328.db2.gz	SEPFCVKYZXSELZ-ZDUSSCGKSA-N	2	0	309.483	0.831	10	30		DCEERP
C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245693456	526345634	/nfs/dbraw/zinc/34/56/34/526345634.db2.gz	WMPMRKVRQVTIEC-ZIAGYGMSSA-N	2	0	309.458	0.503	10	30		DCEERP
C[NH+]=C(NCCN1CCOCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262978975	526360049	/nfs/dbraw/zinc/36/00/49/526360049.db2.gz	TUTISTVNWOXNSZ-OAHLLOKOSA-N	2	0	323.485	0.501	10	30		DCEERP
C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261845776	526360943	/nfs/dbraw/zinc/36/09/43/526360943.db2.gz	XGXSAELAVLCMCZ-INIZCTEOSA-N	2	0	309.458	0.552	10	30		DCEERP
CC[N@@H+]1CCCC[C@H]1CNC(=[NH+]C)N1CCN(C2CC2)C(=O)C1	ZINC000262817228	529008636	/nfs/dbraw/zinc/00/86/36/529008636.db2.gz	VYHODIGWSBQIDN-HNNXBMFYSA-N	2	0	321.469	0.743	10	30		DCEERP
CCN(CCC#N)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000171589103	416039633	/nfs/dbraw/zinc/03/96/33/416039633.db2.gz	FJMLETJQEMXSQV-HNNXBMFYSA-N	2	0	324.469	0.773	10	30		DCEERP
CC[NH+]=C(NCC[NH+]1CCCC1)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261776889	528805731	/nfs/dbraw/zinc/80/57/31/528805731.db2.gz	OTBIABXGWSVVEY-QGZVFWFLSA-N	2	0	321.469	0.650	10	30		DCEERP
CC[NH+]1CCN(c2ccc(CNC3=[NH+]CCN3C)cn2)CC1	ZINC000262656121	529152906	/nfs/dbraw/zinc/15/29/06/529152906.db2.gz	LPZJYJBENBPVFG-UHFFFAOYSA-N	2	0	302.426	0.615	10	30		DCEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC[C@@]2(CNC(=O)C2)C1	ZINC000261840597	278167904	/nfs/dbraw/zinc/16/79/04/278167904.db2.gz	WOCQWGSGHVEGOE-WMLDXEAASA-N	2	0	321.469	0.648	10	30		DCEERP
C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@H](N2CCOCC2)C1	ZINC000175519657	526355790	/nfs/dbraw/zinc/35/57/90/526355790.db2.gz	VTPFIYSEZDAPSY-HNNXBMFYSA-N	2	0	309.458	0.064	10	30		DCEERP
C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261715030	526366620	/nfs/dbraw/zinc/36/66/20/526366620.db2.gz	HQQWCQQNKOLJHL-ZWNOBZJWSA-N	2	0	306.414	0.568	10	30		DCEERP
C[NH+]=C(NCCN1CCOCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262978972	526359762	/nfs/dbraw/zinc/35/97/62/526359762.db2.gz	TUTISTVNWOXNSZ-HNNXBMFYSA-N	2	0	323.485	0.501	10	30		DCEERP
C[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000262772575	526375950	/nfs/dbraw/zinc/37/59/50/526375950.db2.gz	IFDMBOXUHZBKFS-QWRGUYRKSA-N	2	0	306.332	0.431	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CC1	ZINC000419458433	416402274	/nfs/dbraw/zinc/40/22/74/416402274.db2.gz	ZUQITWFNAVBJTP-GJZGRUSLSA-N	2	0	324.469	0.733	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1	ZINC000627385929	417387150	/nfs/dbraw/zinc/38/71/50/417387150.db2.gz	AGUYYTCFLZYVSA-DZGCQCFKSA-N	2	0	322.453	0.400	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1	ZINC000627386292	417387988	/nfs/dbraw/zinc/38/79/88/417387988.db2.gz	LCFGQSLXWQHJLL-LSDHHAIUSA-N	2	0	322.453	0.400	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1	ZINC000627385932	417388173	/nfs/dbraw/zinc/38/81/73/417388173.db2.gz	AGUYYTCFLZYVSA-ZFWWWQNUSA-N	2	0	322.453	0.400	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1	ZINC000561415093	332448268	/nfs/dbraw/zinc/44/82/68/332448268.db2.gz	WHJPEWQAXDAAPV-UHFFFAOYSA-N	2	0	310.442	0.163	10	30		DCEERP
C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261792874	526374418	/nfs/dbraw/zinc/37/44/18/526374418.db2.gz	QPTHKOVFCIIEBS-GUYCJALGSA-N	2	0	321.469	0.647	10	30		DCEERP
CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261681409	528806353	/nfs/dbraw/zinc/80/63/53/528806353.db2.gz	DEDAIMIMYYYEAV-KRWDZBQOSA-N	2	0	323.485	0.942	10	30		DCEERP
CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000262820165	528813822	/nfs/dbraw/zinc/81/38/22/528813822.db2.gz	XYNHPBYVBHYMMM-NEPJUHHUSA-N	2	0	320.359	0.821	10	30		DCEERP
C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1	ZINC000626970766	417188129	/nfs/dbraw/zinc/18/81/29/417188129.db2.gz	SJCOMGOHQXVFRS-UHFFFAOYSA-N	2	0	310.442	0.834	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1	ZINC000627386759	417387539	/nfs/dbraw/zinc/38/75/39/417387539.db2.gz	WRXCDZGOJNJDHR-UONOGXRCSA-N	2	0	308.426	0.010	10	30		DCEERP
C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000261853228	526360659	/nfs/dbraw/zinc/36/06/59/526360659.db2.gz	YGQGTMHYKMOPNP-CQSZACIVSA-N	2	0	322.457	0.757	10	30		DCEERP
C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCC[C@]2(CNC(=O)C2)C1	ZINC000261835464	526376298	/nfs/dbraw/zinc/37/62/98/526376298.db2.gz	VYVRFFBWBVLEGD-PBHICJAKSA-N	2	0	321.469	0.504	10	30		DCEERP
C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261990722	526392433	/nfs/dbraw/zinc/39/24/33/526392433.db2.gz	RDUIKYDLKGNTDP-CHWSQXEVSA-N	2	0	319.457	0.618	10	30		DCEERP
C=CC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1	ZINC000171740246	526435729	/nfs/dbraw/zinc/43/57/29/526435729.db2.gz	ANNNCFQKTSDMFU-INIZCTEOSA-N	2	0	324.469	0.783	10	30		DCEERP
CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CCOC	ZINC000303973005	685209697	/nfs/dbraw/zinc/20/96/97/685209697.db2.gz	GICMZCGWBWQPCQ-GJZGRUSLSA-N	3	0	311.474	0.486	10	30		DCEERP