smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000407994631	545665636	/nfs/dbraw/zinc/66/56/36/545665636.db2.gz	DLVBFWNKUFLRTK-ZJUUUORDSA-N	1	0	308.404	-2.046	10	0		DAAERO
CO[C@H]1C[C@@H](C(=O)N2CC[C@H](NS(C)(=O)=O)C2)[N@H+](C)C1	ZINC000408039232	545670686	/nfs/dbraw/zinc/67/06/86/545670686.db2.gz	VEXIYEOWWKAACY-DCAQKATOSA-N	1	0	305.400	-1.144	10	0		DAAERO
C[NH+]1C[C@H](O)CN2CCOCCN(CCOCC2)C[C@@H](O)C1	ZINC000004016402	181062959	/nfs/dbraw/zinc/06/29/59/181062959.db2.gz	YLAOJSYSYWLDGZ-GJZGRUSLSA-N	1	0	317.430	-1.696	10	0		DAAERO
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000002575123	372769563	/nfs/dbraw/zinc/76/95/63/372769563.db2.gz	UASDAHIAHBRZQV-YUMQZZPRSA-N	1	0	305.404	-1.101	10	0	endogenous,in-man	DAAERO
CSCC[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000002560961	372769693	/nfs/dbraw/zinc/76/96/93/372769693.db2.gz	ROWCTNFEMKOIFQ-YUMQZZPRSA-N	1	0	305.404	-1.101	10	0	endogenous,in-vitro	DAAERO
CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1	ZINC000643637907	372799793	/nfs/dbraw/zinc/79/97/93/372799793.db2.gz	BTMWRJBIVOJDGU-QWRGUYRKSA-N	1	0	305.400	-1.237	10	0		DAAERO
CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1	ZINC000643659845	372803524	/nfs/dbraw/zinc/80/35/24/372803524.db2.gz	ITVUGMJQSKOFGL-GHMZBOCLSA-N	1	0	305.400	-1.237	10	0		DAAERO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2COCCN2)CC1	ZINC000238100010	372869675	/nfs/dbraw/zinc/86/96/75/372869675.db2.gz	VITSBRKHNMPYOS-ZDUSSCGKSA-N	1	0	310.398	-1.259	10	0		DAAERO
O=C(CCO)N1CC[C@@H](c2nnc3n2CC[N@@H+](CCO)CC3)C1	ZINC000257193354	372858925	/nfs/dbraw/zinc/85/89/25/372858925.db2.gz	YCTSBKOCZYIYOV-GFCCVEGCSA-N	1	0	323.397	-1.173	10	0		DAAERO
[NH3+]CCOCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000034423761	372892339	/nfs/dbraw/zinc/89/23/39/372892339.db2.gz	DRRJZKOKUMEZCF-GCHJQGSQSA-N	1	0	311.331	-3.205	10	0		DAAERO
COC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@H](C)[NH3+]	ZINC000002560931	372903812	/nfs/dbraw/zinc/90/38/12/372903812.db2.gz	TXIFFADLHRATRU-BQBZGAKWSA-N	1	0	304.307	-1.923	10	0		DAAERO
CC[C@H](O)C[NH+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1	ZINC000179560733	372934770	/nfs/dbraw/zinc/93/47/70/372934770.db2.gz	QEZINVXEGNNDNA-ZDUSSCGKSA-N	1	0	310.398	-1.028	10	0		DAAERO
CN1CCN(CC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)CC1=O	ZINC000328911550	373252897	/nfs/dbraw/zinc/25/28/97/373252897.db2.gz	GLKZYCBRIQVNFF-OLZOCXBDSA-N	1	0	310.398	-1.308	10	0		DAAERO
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CN3CCN2CC3)CC1=O	ZINC000178972998	373301305	/nfs/dbraw/zinc/30/13/05/373301305.db2.gz	ORUMLBVBJHFDQC-UONOGXRCSA-N	1	0	323.441	-1.488	10	0		DAAERO
COCCC(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C[NH+](C)C	ZINC000169790956	373388826	/nfs/dbraw/zinc/38/88/26/373388826.db2.gz	LIYXBSCFEFRMEJ-GHMZBOCLSA-N	1	0	307.416	-1.039	10	0		DAAERO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1	ZINC000152634328	373429645	/nfs/dbraw/zinc/42/96/45/373429645.db2.gz	FQEAJINQYLLEDW-NEPJUHHUSA-N	1	0	308.382	-1.113	10	0		DAAERO
CC(C)(C(=O)NCCCNS(C)(=O)=O)N1CC[NH2+]CC1	ZINC000226315064	373447221	/nfs/dbraw/zinc/44/72/21/373447221.db2.gz	RPMMYCMVMOURLQ-UHFFFAOYSA-N	1	0	306.432	-1.274	10	0		DAAERO
COC(=O)[C@H]1[C@@H]2O[C@@H]([C@@H]3NN[N+](=C4C=CC=C4)[C@@H]32)[C@H]1C(=O)OC	ZINC000575105248	373565124	/nfs/dbraw/zinc/56/51/24/373565124.db2.gz	PFRVKFRERGVTNQ-NGFXDRFKSA-N	1	0	320.325	-1.315	10	0		DAAERO
CC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1	ZINC000631913957	373699940	/nfs/dbraw/zinc/69/99/40/373699940.db2.gz	RHCRDLWDXIUTKJ-RYUDHWBXSA-N	1	0	305.400	-1.095	10	0		DAAERO
Cn1c[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)[nH]c(=S)c21	ZINC000044021558	183392666	/nfs/dbraw/zinc/39/26/66/183392666.db2.gz	RFHIWBUKNJIBSE-UHTZMRCNSA-O	1	0	314.347	-2.262	10	0	in-vitro	DAAERO
[NH3+][C@@H](CC[C@H](O)C[NH2+]C[C@@H](O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000065740405	184378618	/nfs/dbraw/zinc/37/86/18/184378618.db2.gz	COYAOJMPFAKKAM-XKNYDFJKSA-N	1	0	307.347	-2.318	10	0	in-vitro	DAAERO
Cn1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c(=O)n(C)c1=O	ZINC000170873669	545789916	/nfs/dbraw/zinc/78/99/16/545789916.db2.gz	LYITXQXCPASSHL-SECBINFHSA-N	1	0	316.383	-1.591	10	0		DAAERO
O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+](CCO)CCO	ZINC000298159446	132048597	/nfs/dbraw/zinc/04/85/97/132048597.db2.gz	HDRTYYXTIZEMIP-NSHDSACASA-N	1	0	308.334	-1.070	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@@H]1C	ZINC000408110573	409370006	/nfs/dbraw/zinc/37/00/06/409370006.db2.gz	RWLYILQREXJBFS-NWDGAFQWSA-N	1	0	319.427	-1.065	10	0		DAAERO
COC[C@]1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]1	ZINC000653203533	409340195	/nfs/dbraw/zinc/34/01/95/409340195.db2.gz	PTHGEEUCSOBNBA-PWSUYJOCSA-N	1	0	305.400	-1.095	10	0		DAAERO
Cn1cc(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c(=O)n(C)c1=O	ZINC000328947447	409415844	/nfs/dbraw/zinc/41/58/44/409415844.db2.gz	VTSSVQDDFKNWCR-STQMWFEESA-N	1	0	308.382	-1.011	10	0		DAAERO
COC[C@]1(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CCC[NH2+]1	ZINC000659342640	409602702	/nfs/dbraw/zinc/60/27/02/409602702.db2.gz	QLFXEEGVPZWJMT-NHCYSSNCSA-N	1	0	306.384	-1.317	10	0		DAAERO
O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262112721	262491829	/nfs/dbraw/zinc/49/18/29/262491829.db2.gz	FKUPLKNNBDAQSF-MFKMUULPSA-N	1	0	317.349	-1.122	10	0		DAAERO
O=C(CNC(=O)COc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262248707	263220906	/nfs/dbraw/zinc/22/09/06/263220906.db2.gz	LKLDNNYFTZVYDH-WCQYABFASA-N	1	0	307.350	-1.122	10	0		DAAERO
COC(=O)C1CCN(C(=O)[C@H](C)N2C[C@@H](O)[C@H](O)C2)CC1	ZINC000408440510	263222194	/nfs/dbraw/zinc/22/21/94/263222194.db2.gz	COXIRCBUDIKBIJ-MVWJERBFSA-N	1	0	300.355	-1.176	10	0		DAAERO
C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CN3CCN2CC3)CC1=O	ZINC000178973011	263227998	/nfs/dbraw/zinc/22/79/98/263227998.db2.gz	ORUMLBVBJHFDQC-KBPBESRZSA-N	1	0	323.441	-1.488	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000408060803	263233223	/nfs/dbraw/zinc/23/32/23/263233223.db2.gz	FBDRKHCOYAFOBU-ZJUUUORDSA-N	1	0	306.388	-2.028	10	0		DAAERO
CN(C)S(=O)(=O)CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000408042231	263237443	/nfs/dbraw/zinc/23/74/43/263237443.db2.gz	QQZGTSHSGHHYNX-GHMZBOCLSA-N	1	0	305.400	-1.191	10	0		DAAERO
NS(=O)(=O)c1cnn(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000408095499	263237939	/nfs/dbraw/zinc/23/79/39/263237939.db2.gz	YTYGYAFIHYAIQY-JTQLQIEISA-N	1	0	313.383	-1.163	10	0		DAAERO
CNS(=O)(=O)CCNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1	ZINC000408022295	263238632	/nfs/dbraw/zinc/23/86/32/263238632.db2.gz	LHFSSNIJGYAOMU-GHMZBOCLSA-N	1	0	320.415	-1.350	10	0		DAAERO
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1	ZINC000262648285	263260066	/nfs/dbraw/zinc/26/00/66/263260066.db2.gz	VNHWRUFYGXEEFR-AXFHLTTASA-N	1	0	305.400	-1.191	10	0		DAAERO
O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262112715	263260483	/nfs/dbraw/zinc/26/04/83/263260483.db2.gz	FKUPLKNNBDAQSF-GWCFXTLKSA-N	1	0	317.349	-1.122	10	0		DAAERO
CN1CCO[C@@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]21	ZINC000408297825	263262949	/nfs/dbraw/zinc/26/29/49/263262949.db2.gz	LTAXACUZSYOWAY-NXEZZACHSA-N	1	0	305.400	-1.144	10	0		DAAERO
CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C1=O	ZINC000262274481	263271635	/nfs/dbraw/zinc/27/16/35/263271635.db2.gz	NGYKUDGOGKNWIY-VHSXEESVSA-N	1	0	312.370	-1.207	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262364827	263277333	/nfs/dbraw/zinc/27/73/33/263277333.db2.gz	VNRJPPWIHXOWQE-GHMZBOCLSA-N	1	0	324.381	-1.062	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C	ZINC000408110776	263296574	/nfs/dbraw/zinc/29/65/74/263296574.db2.gz	VGNICXBVKOFQDY-MNOVXSKESA-N	1	0	307.416	-1.209	10	0		DAAERO
Cn1cnn(CCC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1=O	ZINC000329178396	263297533	/nfs/dbraw/zinc/29/75/33/263297533.db2.gz	NDXWYQSBDRPKAE-NEPJUHHUSA-N	1	0	309.370	-1.097	10	0		DAAERO
O=S(=O)(C[C@H]1CCCO1)NC[C@@H](O)CN1CCOCC1	ZINC000328871940	263297646	/nfs/dbraw/zinc/29/76/46/263297646.db2.gz	QHFIQFBYXOYOFH-VXGBXAGGSA-N	1	0	308.400	-1.222	10	0		DAAERO
CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(C(N)=O)C2)CC1	ZINC000375500266	263302528	/nfs/dbraw/zinc/30/25/28/263302528.db2.gz	RXBMXYZVZRZHTG-DOMZBBRYSA-N	1	0	312.414	-1.149	10	0		DAAERO
CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1	ZINC000262343397	263306761	/nfs/dbraw/zinc/30/67/61/263306761.db2.gz	TXFGOTGHENYLSS-CMPLNLGQSA-N	1	0	313.379	-1.095	10	0		DAAERO
C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000244420240	263306996	/nfs/dbraw/zinc/30/69/96/263306996.db2.gz	YTCYSINQSJQZOC-MNOVXSKESA-N	1	0	317.411	-1.300	10	0		DAAERO
O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262273270	263308652	/nfs/dbraw/zinc/30/86/52/263308652.db2.gz	NFNPXIIWAYDYHE-CABZTGNLSA-N	1	0	303.322	-1.512	10	0		DAAERO
C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)N1C(=O)NC2(CCCC2)C1=O	ZINC000262231903	263314945	/nfs/dbraw/zinc/31/49/45/263314945.db2.gz	KIKWHMKWGSOHDN-GMTAPVOTSA-N	1	0	324.381	-1.064	10	0		DAAERO
NS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1	ZINC000038043180	295282374	/nfs/dbraw/zinc/28/23/74/295282374.db2.gz	ZGJHSUBJNOUANF-NSHDSACASA-N	1	0	304.416	-1.393	10	0		DAAERO
C[NH+](C)C[C@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1	ZINC000247068935	521880446	/nfs/dbraw/zinc/88/04/46/521880446.db2.gz	GJTINKCYDKDDLZ-OLZOCXBDSA-N	1	0	312.414	-1.027	10	0		DAAERO
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC1CC(O)C1	ZINC000190208328	526190999	/nfs/dbraw/zinc/19/09/99/526190999.db2.gz	RYZAUCBJGCCDMO-XNWIYYODSA-N	1	0	324.381	-1.060	10	0		DAAERO
C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)N1CCOCC1	ZINC000408032121	545668218	/nfs/dbraw/zinc/66/82/18/545668218.db2.gz	ZYGGUNQWELUIJD-CHWSQXEVSA-N	1	0	310.398	-1.260	10	0		DAAERO
CO[C@H]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[N@H+](C)C1	ZINC000408031937	545668835	/nfs/dbraw/zinc/66/88/35/545668835.db2.gz	YPTJGEAOARKGAJ-QWRGUYRKSA-N	1	0	305.400	-1.191	10	0		DAAERO
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262115562	545797911	/nfs/dbraw/zinc/79/79/11/545797911.db2.gz	FPMBCJCNNLOULO-IJLUTSLNSA-N	1	0	319.427	-1.113	10	0		DAAERO
O=C(CCn1nnc2ccccc2c1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262112718	545798116	/nfs/dbraw/zinc/79/81/16/545798116.db2.gz	FKUPLKNNBDAQSF-GXFFZTMASA-N	1	0	317.349	-1.122	10	0		DAAERO
O=C(CNC(=O)COc1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262248703	545798667	/nfs/dbraw/zinc/79/86/67/545798667.db2.gz	LKLDNNYFTZVYDH-AAEUAGOBSA-N	1	0	307.350	-1.122	10	0		DAAERO
O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262256986	545798900	/nfs/dbraw/zinc/79/89/00/545798900.db2.gz	LXPDYQOULARDHJ-BDAKNGLRSA-N	1	0	319.408	-1.277	10	0		DAAERO
CNS(=O)(=O)c1csc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1	ZINC000262321326	545798921	/nfs/dbraw/zinc/79/89/21/545798921.db2.gz	RJPALMWOJWRNPM-APPZFPTMSA-N	1	0	319.408	-1.034	10	0		DAAERO
O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262327756	545799050	/nfs/dbraw/zinc/79/90/50/545799050.db2.gz	RZOUFOGPIHCABF-CABZTGNLSA-N	1	0	303.318	-1.021	10	0		DAAERO
O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1	ZINC000911418363	663144203	/nfs/dbraw/zinc/14/42/03/663144203.db2.gz	LTSVLHBQWTZZLB-UPJWGTAASA-N	1	0	310.398	-1.478	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C	ZINC000408229536	545682567	/nfs/dbraw/zinc/68/25/67/545682567.db2.gz	SXGUSZKCOIRSFZ-OLZOCXBDSA-N	1	0	312.414	-1.326	10	0		DAAERO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2COCCN2)CC1	ZINC000236840693	202034670	/nfs/dbraw/zinc/03/46/70/202034670.db2.gz	MSKGMWVRPXKBHP-CYBMUJFWSA-N	1	0	312.414	-1.013	10	0		DAAERO
C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)C[N@H+](C)CCO	ZINC000084403361	372839271	/nfs/dbraw/zinc/83/92/71/372839271.db2.gz	GYHUHVAQUBVRNT-SNVBAGLBSA-N	1	0	309.370	-1.006	10	0		DAAERO
C[C@@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCO	ZINC000029561562	372859412	/nfs/dbraw/zinc/85/94/12/372859412.db2.gz	AEFAYIFOMAOZEA-MNOVXSKESA-N	1	0	316.402	-1.247	10	0		DAAERO
Cn1c(=O)ccn(CC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1=O	ZINC000116786435	372861592	/nfs/dbraw/zinc/86/15/92/372861592.db2.gz	GDQPGAXOYJSDSE-LLVKDONJSA-N	1	0	310.354	-1.664	10	0		DAAERO
O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1C[NH2+]C1	ZINC000263257991	373145082	/nfs/dbraw/zinc/14/50/82/373145082.db2.gz	FWDHIXXFMIDCBK-NSHDSACASA-N	1	0	305.400	-1.190	10	0		DAAERO
CCN1CCN(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C(=O)C1=O	ZINC000195332346	373320205	/nfs/dbraw/zinc/32/02/05/373320205.db2.gz	REZJVQAWUSJQHE-GFCCVEGCSA-N	1	0	308.382	-1.016	10	0		DAAERO
COC[C@@H]([NH3+])C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000262171277	373334121	/nfs/dbraw/zinc/33/41/21/373334121.db2.gz	ASUJDANLSRXSFB-WDEREUQCSA-N	1	0	305.400	-1.013	10	0		DAAERO
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[NH2+]CC1	ZINC000036870273	182850521	/nfs/dbraw/zinc/85/05/21/182850521.db2.gz	FUKFTSYLYWZHIG-JTQLQIEISA-N	1	0	311.429	-1.355	10	0		DAAERO
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CC[NH2+]CC1	ZINC000040860191	183143028	/nfs/dbraw/zinc/14/30/28/183143028.db2.gz	LQFQGHURBXIQEN-JTQLQIEISA-N	1	0	311.429	-1.355	10	0		DAAERO
O=C(CNC(=O)COc1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262248709	545798824	/nfs/dbraw/zinc/79/88/24/545798824.db2.gz	LKLDNNYFTZVYDH-YPMHNXCESA-N	1	0	307.350	-1.122	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC000408110575	409370220	/nfs/dbraw/zinc/37/02/20/409370220.db2.gz	RWLYILQREXJBFS-VXGBXAGGSA-N	1	0	319.427	-1.065	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C	ZINC000408110775	409370609	/nfs/dbraw/zinc/37/06/09/409370609.db2.gz	VGNICXBVKOFQDY-GHMZBOCLSA-N	1	0	307.416	-1.209	10	0		DAAERO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](S(N)(=O)=O)C1	ZINC000408180856	409380647	/nfs/dbraw/zinc/38/06/47/409380647.db2.gz	WUKAKONUEMCCRZ-MNOVXSKESA-N	1	0	305.400	-1.156	10	0		DAAERO
COC[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CCC[NH2+]1	ZINC000659342642	409600993	/nfs/dbraw/zinc/60/09/93/409600993.db2.gz	QLFXEEGVPZWJMT-SCVCMEIPSA-N	1	0	306.384	-1.317	10	0		DAAERO
C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)N1C(=O)NC2(CCCC2)C1=O	ZINC000262231908	262491925	/nfs/dbraw/zinc/49/19/25/262491925.db2.gz	KIKWHMKWGSOHDN-MXWKQRLJSA-N	1	0	324.381	-1.064	10	0		DAAERO
O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262364767	262493945	/nfs/dbraw/zinc/49/39/45/262493945.db2.gz	VLWGTICFRJTDGH-AAEUAGOBSA-N	1	0	302.338	-1.099	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262364830	262494439	/nfs/dbraw/zinc/49/44/39/262494439.db2.gz	VNRJPPWIHXOWQE-WDEREUQCSA-N	1	0	324.381	-1.062	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262078624	263219234	/nfs/dbraw/zinc/21/92/34/263219234.db2.gz	CHDCCHIIPCXHER-NXEZZACHSA-N	1	0	310.354	-1.453	10	0		DAAERO
C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1N1CCOCC1	ZINC000179524128	263230237	/nfs/dbraw/zinc/23/02/37/263230237.db2.gz	IALHLDFQQSHUKR-NEPJUHHUSA-N	1	0	309.370	-1.239	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000329188423	263244736	/nfs/dbraw/zinc/24/47/36/263244736.db2.gz	PKGDTICHASMZHF-CRWXNKLISA-N	1	0	311.382	-1.100	10	0		DAAERO
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C	ZINC000347147162	263247688	/nfs/dbraw/zinc/24/76/88/263247688.db2.gz	MGSYQPZTASNSAY-FMKGYKFTSA-N	1	0	313.398	-1.118	10	0		DAAERO
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@@H]1C	ZINC000347147164	263260771	/nfs/dbraw/zinc/26/07/71/263260771.db2.gz	MGSYQPZTASNSAY-IGHBBLSQSA-N	1	0	313.398	-1.118	10	0		DAAERO
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1	ZINC000181786915	263266260	/nfs/dbraw/zinc/26/62/60/263266260.db2.gz	DYVMJQOCOXQGKO-ZYHUDNBSSA-N	1	0	309.374	-1.283	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262364829	263274783	/nfs/dbraw/zinc/27/47/83/263274783.db2.gz	VNRJPPWIHXOWQE-QWRGUYRKSA-N	1	0	324.381	-1.062	10	0		DAAERO
C[C@H](O)CN1CCN(S(=O)(=O)N2CCOCC2)C[C@@H]1C	ZINC000408435806	263277617	/nfs/dbraw/zinc/27/76/17/263277617.db2.gz	ZXUDHJDQYHYREM-RYUDHWBXSA-N	1	0	307.416	-1.050	10	0		DAAERO
C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)N1CCOCC1	ZINC000408032125	263277716	/nfs/dbraw/zinc/27/77/16/263277716.db2.gz	ZYGGUNQWELUIJD-OLZOCXBDSA-N	1	0	310.398	-1.260	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000373013547	263280476	/nfs/dbraw/zinc/28/04/76/263280476.db2.gz	LCCFLRZOKPJNSX-UZGDPCLZSA-N	1	0	313.398	-1.118	10	0		DAAERO
CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1	ZINC000262151472	263296429	/nfs/dbraw/zinc/29/64/29/263296429.db2.gz	RQQBQQXWLFCWDL-ZDUSSCGKSA-N	1	0	309.374	-1.139	10	0		DAAERO
CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[N@H+](C)C1	ZINC000408039238	263308071	/nfs/dbraw/zinc/30/80/71/263308071.db2.gz	VEXIYEOWWKAACY-VWYCJHECSA-N	1	0	305.400	-1.144	10	0		DAAERO
C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)N1C(=O)NC2(CCCC2)C1=O	ZINC000262231914	263308926	/nfs/dbraw/zinc/30/89/26/263308926.db2.gz	KIKWHMKWGSOHDN-OUAUKWLOSA-N	1	0	324.381	-1.064	10	0		DAAERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000002560957	303219804	/nfs/dbraw/zinc/21/98/04/303219804.db2.gz	PMGDADKJMCOXHX-BQBZGAKWSA-N	1	0	302.335	-2.588	10	0	endogenous,in-man	DAAERO
[NH3+]CCOCCOCC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000584615742	337372766	/nfs/dbraw/zinc/37/27/66/337372766.db2.gz	PHWZFPHPCJAFCP-RMPHRYRLSA-N	1	0	311.331	-3.469	10	0		DAAERO
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1	ZINC000246910208	523843681	/nfs/dbraw/zinc/84/36/81/523843681.db2.gz	FQEAJINQYLLEDW-RYUDHWBXSA-N	1	0	308.382	-1.113	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000329188425	545657858	/nfs/dbraw/zinc/65/78/58/545657858.db2.gz	PKGDTICHASMZHF-DGAVXFQQSA-N	1	0	311.382	-1.100	10	0		DAAERO
O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@@H]1C[N@@H+]2CCN1CCC2	ZINC000408048760	545678681	/nfs/dbraw/zinc/67/86/81/545678681.db2.gz	PMKZBNHEZFSLRW-RWMBFGLXSA-N	1	0	306.370	-1.276	10	0		DAAERO
C[NH+](C)C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCO1	ZINC000329334462	545719070	/nfs/dbraw/zinc/71/90/70/545719070.db2.gz	NZWQVTPLAMPQBN-LBPRGKRZSA-N	1	0	319.427	-1.494	10	0		DAAERO
O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262327757	545798415	/nfs/dbraw/zinc/79/84/15/545798415.db2.gz	RZOUFOGPIHCABF-JOYOIKCWSA-N	1	0	303.318	-1.021	10	0		DAAERO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)C1	ZINC000262343498	545798458	/nfs/dbraw/zinc/79/84/58/545798458.db2.gz	TYYUSHPSBDWZMC-TUAOUCFPSA-N	1	0	319.427	-1.255	10	0		DAAERO
O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262273271	545798865	/nfs/dbraw/zinc/79/88/65/545798865.db2.gz	NFNPXIIWAYDYHE-JOYOIKCWSA-N	1	0	303.322	-1.512	10	0		DAAERO
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262206034	545799099	/nfs/dbraw/zinc/79/90/99/545799099.db2.gz	INCAEQSJOFAMFJ-NNYUYHANSA-N	1	0	309.366	-1.142	10	0		DAAERO
O=C(CN1CCNC(=O)C1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1	ZINC000911418364	663144248	/nfs/dbraw/zinc/14/42/48/663144248.db2.gz	LTSVLHBQWTZZLB-XQQFMLRXSA-N	1	0	310.398	-1.478	10	0		DAAERO
C[NH+](C)[C@@H]1CN(CCCS(N)(=O)=O)C[C@@H]1n1ccnn1	ZINC000859757900	663913284	/nfs/dbraw/zinc/91/32/84/663913284.db2.gz	PLYYQTSILPPAPP-MNOVXSKESA-N	1	0	302.404	-1.256	10	0		DAAERO
C[NH+](C)[C@@H]1CN(C(=O)C2(n3cnnn3)CC2)C[C@@H]1n1ccnn1	ZINC000862936452	663922276	/nfs/dbraw/zinc/92/22/76/663922276.db2.gz	IVRJZFKHSZNGMS-MNOVXSKESA-N	1	0	317.357	-1.233	10	0		DAAERO
COC[C@@]1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]1	ZINC000643707414	664210997	/nfs/dbraw/zinc/21/09/97/664210997.db2.gz	WRFSBKPEQBWVNF-CMPLNLGQSA-N	1	0	305.400	-1.095	10	0		DAAERO
COC[C@]1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]1	ZINC000643707415	664211357	/nfs/dbraw/zinc/21/13/57/664211357.db2.gz	WRFSBKPEQBWVNF-JQWIXIFHSA-N	1	0	305.400	-1.095	10	0		DAAERO
[NH3+][C@H](CC[C@H](O)C[NH2+]C[C@H](O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000005113932	190621186	/nfs/dbraw/zinc/62/11/86/190621186.db2.gz	COYAOJMPFAKKAM-FIRGSJFUSA-N	1	0	307.347	-2.318	10	0		DAAERO
C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000408042213	545670746	/nfs/dbraw/zinc/67/07/46/545670746.db2.gz	QEWHLHAXCJSADG-HBNTYKKESA-N	1	0	305.400	-1.144	10	0		DAAERO
CNC(=O)N[C@@H]1CCN(CC(=O)N2CCN(C(C)=O)CC2)C1	ZINC000408258090	545683980	/nfs/dbraw/zinc/68/39/80/545683980.db2.gz	UTSHABHWKQHFID-GFCCVEGCSA-N	1	0	311.386	-1.320	10	0		DAAERO
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1CCC[NH3+]	ZINC000149874978	372769662	/nfs/dbraw/zinc/76/96/62/372769662.db2.gz	IPELQPOBAGJQOM-TURQNECASA-N	1	0	300.315	-2.672	10	0		DAAERO
CC(C)(C(=O)N1CCN(S(C)(=O)=O)CC1)N1CC[NH2+]CC1	ZINC000129647115	372787002	/nfs/dbraw/zinc/78/70/02/372787002.db2.gz	QHFNOSBRUIPCCM-UHFFFAOYSA-N	1	0	318.443	-1.226	10	0		DAAERO
CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1	ZINC000643659846	372804058	/nfs/dbraw/zinc/80/40/58/372804058.db2.gz	ITVUGMJQSKOFGL-MNOVXSKESA-N	1	0	305.400	-1.237	10	0		DAAERO
NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2COCCN2)cc1	ZINC000088372017	372815050	/nfs/dbraw/zinc/81/50/50/372815050.db2.gz	OKIZPIPTCNPRIA-GFCCVEGCSA-N	1	0	313.379	-1.019	10	0		DAAERO
CO[C@@H]1O[C@H](C[NH3+])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000247846184	372853254	/nfs/dbraw/zinc/85/32/54/372853254.db2.gz	MWPYXTVIEWXASO-KSSYENDESA-N	1	0	318.326	-1.316	10	0		DAAERO
O=C(CN1CCN(C(=O)[C@H]2COCCN2)CC1)N1CCCC1	ZINC000238130362	372869955	/nfs/dbraw/zinc/86/99/55/372869955.db2.gz	YZLDBHPNUSLYNC-CYBMUJFWSA-N	1	0	310.398	-1.259	10	0		DAAERO
CN1CCO[C@H]2CCN(S(=O)(=O)N3CCOCC3)C[C@H]21	ZINC000328849969	373252356	/nfs/dbraw/zinc/25/23/56/373252356.db2.gz	BJOYACNOYCOSEE-NEPJUHHUSA-N	1	0	305.400	-1.032	10	0		DAAERO
CN1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1	ZINC000174391852	373298586	/nfs/dbraw/zinc/29/85/86/373298586.db2.gz	IPGODDWLPSNOPJ-OLZOCXBDSA-N	1	0	312.414	-1.157	10	0		DAAERO
C[NH+](C)CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000244420242	373321219	/nfs/dbraw/zinc/32/12/19/373321219.db2.gz	YTCYSINQSJQZOC-WDEREUQCSA-N	1	0	317.411	-1.300	10	0		DAAERO
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262413258	373333311	/nfs/dbraw/zinc/33/33/11/373333311.db2.gz	ZJQRNINAWLYKJH-MNOVXSKESA-N	1	0	324.381	-1.062	10	0		DAAERO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1	ZINC000171340063	373564116	/nfs/dbraw/zinc/56/41/16/373564116.db2.gz	QAYYHZVNFFWRGR-LBPRGKRZSA-N	1	0	308.382	-1.111	10	0		DAAERO
O=C(C(CO)NNc1[nH+]ncc2ccccc21)[C@H](O)[C@@H](O)CO	ZINC000022047818	373616989	/nfs/dbraw/zinc/61/69/89/373616989.db2.gz	JTXLYEKQSQUJTI-BWPOFIMISA-N	1	0	322.321	-1.535	10	0		DAAERO
CC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1	ZINC000631913955	373701384	/nfs/dbraw/zinc/70/13/84/373701384.db2.gz	RHCRDLWDXIUTKJ-NEPJUHHUSA-N	1	0	305.400	-1.095	10	0		DAAERO
CC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1	ZINC000631913956	373701881	/nfs/dbraw/zinc/70/18/81/373701881.db2.gz	RHCRDLWDXIUTKJ-NWDGAFQWSA-N	1	0	305.400	-1.095	10	0		DAAERO
Cn1c[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=S)c21	ZINC000022063762	182307868	/nfs/dbraw/zinc/30/78/68/182307868.db2.gz	RFHIWBUKNJIBSE-XJCFNFQFSA-O	1	0	314.347	-2.262	10	0	in-vitro	DAAERO
O=C1CN(CCNCC[NH2+]CCN2CC(=O)NC2=O)C(=O)N1	ZINC000022590263	182327409	/nfs/dbraw/zinc/32/74/09/182327409.db2.gz	JWOVHUWSLSYMHT-UHFFFAOYSA-N	1	0	312.330	-2.731	10	0		DAAERO
Cn1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c(=O)n(C)c1=O	ZINC000170873668	545789089	/nfs/dbraw/zinc/78/90/89/545789089.db2.gz	LYITXQXCPASSHL-VIFPVBQESA-N	1	0	316.383	-1.591	10	0		DAAERO
COC[C@]1(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]1	ZINC000653203532	409340000	/nfs/dbraw/zinc/34/00/00/409340000.db2.gz	PTHGEEUCSOBNBA-JQWIXIFHSA-N	1	0	305.400	-1.095	10	0		DAAERO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2C[NH2+]C[C@H]2O)C1	ZINC000262343493	262493978	/nfs/dbraw/zinc/49/39/78/262493978.db2.gz	TYYUSHPSBDWZMC-QJPTWQEYSA-N	1	0	319.427	-1.255	10	0		DAAERO
CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)Cn2cnnn2)CC1	ZINC000181786895	263222414	/nfs/dbraw/zinc/22/24/14/263222414.db2.gz	DYVMJQOCOXQGKO-JQWIXIFHSA-N	1	0	309.374	-1.283	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262078626	263229121	/nfs/dbraw/zinc/22/91/21/263229121.db2.gz	CHDCCHIIPCXHER-UWVGGRQHSA-N	1	0	310.354	-1.453	10	0		DAAERO
O=C(N[C@H]1COC[C@H]1n1ccnn1)[C@H]1C[N@@H+]2CCN1CCC2	ZINC000408048761	263232301	/nfs/dbraw/zinc/23/23/01/263232301.db2.gz	PMKZBNHEZFSLRW-YNEHKIRRSA-N	1	0	306.370	-1.276	10	0		DAAERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c2c(=O)[nH]n(C)c2n1	ZINC000262156357	263234741	/nfs/dbraw/zinc/23/47/41/263234741.db2.gz	IANUUGIJNAHNNA-WPRPVWTQSA-N	1	0	305.338	-1.120	10	0		DAAERO
CCS(=O)(=O)NCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000408045394	263242841	/nfs/dbraw/zinc/24/28/41/263242841.db2.gz	ZINJQHDMXRISOH-WDEREUQCSA-N	1	0	305.400	-1.143	10	0		DAAERO
O=C(CN1CCN(c2ccccn2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262376976	263251162	/nfs/dbraw/zinc/25/11/62/263251162.db2.gz	WSBBWONQPAYSIQ-KGLIPLIRSA-N	1	0	319.409	-1.100	10	0		DAAERO
C[NH+](C)C[C@@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1	ZINC000105926831	263255929	/nfs/dbraw/zinc/25/59/29/263255929.db2.gz	GJTINKCYDKDDLZ-QWHCGFSZSA-N	1	0	312.414	-1.027	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C	ZINC000408229537	263266302	/nfs/dbraw/zinc/26/63/02/263266302.db2.gz	SXGUSZKCOIRSFZ-QWHCGFSZSA-N	1	0	312.414	-1.326	10	0		DAAERO
CN1CCO[C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@@H]21	ZINC000328875715	263273640	/nfs/dbraw/zinc/27/36/40/263273640.db2.gz	FZJPNOZSXHDTQL-STQMWFEESA-N	1	0	308.382	-1.011	10	0		DAAERO
C[NH+](C)C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCO1	ZINC000329334461	263276277	/nfs/dbraw/zinc/27/62/77/263276277.db2.gz	NZWQVTPLAMPQBN-GFCCVEGCSA-N	1	0	319.427	-1.494	10	0		DAAERO
C[C@H]1CN(C)CCN1C(=O)Cn1cc(S(N)(=O)=O)cn1	ZINC000408116127	263289781	/nfs/dbraw/zinc/28/97/81/263289781.db2.gz	UQZAVUZSXVFOTC-VIFPVBQESA-N	1	0	301.372	-1.307	10	0		DAAERO
C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)N1C(=O)NC2(CCCC2)C1=O	ZINC000262231919	263296061	/nfs/dbraw/zinc/29/60/61/263296061.db2.gz	KIKWHMKWGSOHDN-VWYCJHECSA-N	1	0	324.381	-1.064	10	0		DAAERO
CN(CC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)S(C)(=O)=O	ZINC000408023654	263300768	/nfs/dbraw/zinc/30/07/68/263300768.db2.gz	UOOQKFNDPWQGMY-GHMZBOCLSA-N	1	0	305.400	-1.191	10	0		DAAERO
CN1CCO[C@@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]21	ZINC000378025988	263300973	/nfs/dbraw/zinc/30/09/73/263300973.db2.gz	LTAXACUZSYOWAY-VHSXEESVSA-N	1	0	305.400	-1.144	10	0		DAAERO
O=C(Cn1nnc2ccccc2c1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262273272	263305439	/nfs/dbraw/zinc/30/54/39/263305439.db2.gz	NFNPXIIWAYDYHE-SKDRFNHKSA-N	1	0	303.322	-1.512	10	0		DAAERO
O=C(CCn1nc2ccccn2c1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262392825	263307428	/nfs/dbraw/zinc/30/74/28/263307428.db2.gz	XZXUZNIXGIKTRI-MNOVXSKESA-N	1	0	305.338	-1.417	10	0		DAAERO
C[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1N1CCOCC1	ZINC000177262014	263315547	/nfs/dbraw/zinc/31/55/47/263315547.db2.gz	WAQSTSWUVCTTKI-STQMWFEESA-N	1	0	310.398	-1.403	10	0		DAAERO
CN(CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)S(C)(=O)=O	ZINC000408023655	263318863	/nfs/dbraw/zinc/31/88/63/263318863.db2.gz	UOOQKFNDPWQGMY-MNOVXSKESA-N	1	0	305.400	-1.191	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000407994628	263319394	/nfs/dbraw/zinc/31/93/94/263319394.db2.gz	DLVBFWNKUFLRTK-UWVGGRQHSA-N	1	0	308.404	-2.046	10	0		DAAERO
CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1	ZINC000408447791	263326172	/nfs/dbraw/zinc/32/61/72/263326172.db2.gz	IHUUIMQQBISZPG-SNVBAGLBSA-N	1	0	313.445	-1.109	10	0		DAAERO
COC(=O)[C@H]1[C@@H]2O[C@@H]([C@H]3NN[N+](=C4C=CC=C4)[C@H]32)[C@H]1C(=O)OC	ZINC000575105249	341777914	/nfs/dbraw/zinc/77/79/14/341777914.db2.gz	PFRVKFRERGVTNQ-QYKGAGETSA-N	1	0	320.325	-1.315	10	0		DAAERO
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CC1CC(O)C1	ZINC000190208301	524305592	/nfs/dbraw/zinc/30/55/92/524305592.db2.gz	RYZAUCBJGCCDMO-IDKOKCKLSA-N	1	0	324.381	-1.060	10	0		DAAERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c2c(=O)[nH]n(C)c2n1	ZINC000262156352	545797729	/nfs/dbraw/zinc/79/77/29/545797729.db2.gz	IANUUGIJNAHNNA-SCZZXKLOSA-N	1	0	305.338	-1.120	10	0		DAAERO
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262115597	545797781	/nfs/dbraw/zinc/79/77/81/545797781.db2.gz	FPMBCJCNNLOULO-UTUOFQBUSA-N	1	0	319.427	-1.113	10	0		DAAERO
O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262327758	545798577	/nfs/dbraw/zinc/79/85/77/545798577.db2.gz	RZOUFOGPIHCABF-SKDRFNHKSA-N	1	0	303.318	-1.021	10	0		DAAERO
CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1	ZINC000262282606	545798653	/nfs/dbraw/zinc/79/86/53/545798653.db2.gz	OALVDJCIJXTXCH-JQWIXIFHSA-N	1	0	313.379	-1.095	10	0		DAAERO
C[C@]1(O)[C@@H]2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]1(NC(N)=[NH+][C@@H](O)[C@@H]21)[C@@H]3O	ZINC000006032202	560204658	/nfs/dbraw/zinc/20/46/58/560204658.db2.gz	XXUFXWUHBMGUMY-PZKHIREQSA-N	1	0	303.271	-4.492	10	0	in-vitro	DAAERO
C[C@]1(O)[C@@H]2O[C@]3(O)O[C@H]1[C@H](O)[C@@]1(NC(N)=[NH+][C@@H](O)[C@@H]21)[C@@H]3O	ZINC000006032203	560204660	/nfs/dbraw/zinc/20/46/60/560204660.db2.gz	XXUFXWUHBMGUMY-LQRXLWILSA-N	1	0	303.271	-4.492	10	0	in-vitro	DAAERO
O=C(C1C[NH+]([C@H]2CCOC2)C1)N1C[C@@H](O)[C@H](n2ccnn2)C1	ZINC000898384472	662770957	/nfs/dbraw/zinc/77/09/57/662770957.db2.gz	SNVPXWKCADBBQK-YNEHKIRRSA-N	1	0	307.354	-1.257	10	0		DAAERO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1	ZINC000908096231	662800021	/nfs/dbraw/zinc/80/00/21/662800021.db2.gz	JRGWXJHHTCOTJL-MNOVXSKESA-N	1	0	305.400	-1.013	10	0		DAAERO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCCS(N)(=O)=O)[C@H]2C1	ZINC000908096232	662800083	/nfs/dbraw/zinc/80/00/83/662800083.db2.gz	JRGWXJHHTCOTJL-QWRGUYRKSA-N	1	0	305.400	-1.013	10	0		DAAERO
CS(=O)(=O)NCCCNC(=O)[C@]12C[NH2+]C[C@H]1COCC2	ZINC000715448664	663842854	/nfs/dbraw/zinc/84/28/54/663842854.db2.gz	XRNCRPGHQIAPDW-CMPLNLGQSA-N	1	0	305.400	-1.332	10	0		DAAERO
CO[C@@H]1O[C@H](C[NH3+])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000247846189	372852270	/nfs/dbraw/zinc/85/22/70/372852270.db2.gz	MWPYXTVIEWXASO-UJPOAAIJSA-N	1	0	318.326	-1.316	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C	ZINC000179507074	372934298	/nfs/dbraw/zinc/93/42/98/372934298.db2.gz	AIRKJGDJPHMWHI-VXGBXAGGSA-N	1	0	310.398	-1.029	10	0		DAAERO
Cn1c2[nH]c(SCCNC3=[NH+]CCN3)nc2c(=O)n(C)c1=O	ZINC000048546224	373017477	/nfs/dbraw/zinc/01/74/77/373017477.db2.gz	FKWQLBZTPHGQLH-UHFFFAOYSA-N	1	0	323.382	-1.399	10	0		DAAERO
CN1CC(=O)N(CC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1=O	ZINC000328860736	373253015	/nfs/dbraw/zinc/25/30/15/373253015.db2.gz	AMZNUGZAIVAMAU-QWRGUYRKSA-N	1	0	310.354	-1.188	10	0		DAAERO
CN1NC(=[NH2+])C2=CN([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H]3N=CN=C1[C@@H]23	ZINC000575119022	373266064	/nfs/dbraw/zinc/26/60/64/373266064.db2.gz	VMYFCHKIBLUQHZ-UJFZOLAESA-N	1	0	322.325	-2.565	10	0		DAAERO
C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CN3CCN2CC3)CC1=O	ZINC000178973004	373301433	/nfs/dbraw/zinc/30/14/33/373301433.db2.gz	ORUMLBVBJHFDQC-KGLIPLIRSA-N	1	0	323.441	-1.488	10	0		DAAERO
COCCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1	ZINC000188700145	373305029	/nfs/dbraw/zinc/30/50/29/373305029.db2.gz	OZRASSJWVHCQRR-NWDGAFQWSA-N	1	0	316.377	-1.407	10	0		DAAERO
CN1CCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1	ZINC000245456045	373319207	/nfs/dbraw/zinc/31/92/07/373319207.db2.gz	IPGODDWLPSNOPJ-STQMWFEESA-N	1	0	312.414	-1.157	10	0		DAAERO
Cn1c(N)c(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)c(=O)n(C)c1=O	ZINC000246715784	373326982	/nfs/dbraw/zinc/32/69/82/373326982.db2.gz	USCUHVUEFHTZCZ-JTQLQIEISA-N	1	0	321.381	-1.371	10	0		DAAERO
COC[C@H]([NH3+])C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000262171272	373333367	/nfs/dbraw/zinc/33/33/67/373333367.db2.gz	ASUJDANLSRXSFB-MNOVXSKESA-N	1	0	305.400	-1.013	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262078628	373334639	/nfs/dbraw/zinc/33/46/39/373334639.db2.gz	CHDCCHIIPCXHER-VHSXEESVSA-N	1	0	310.354	-1.453	10	0		DAAERO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1	ZINC000152634242	373429247	/nfs/dbraw/zinc/42/92/47/373429247.db2.gz	FQEAJINQYLLEDW-VXGBXAGGSA-N	1	0	308.382	-1.113	10	0		DAAERO
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2NCC[NH3+]	ZINC000033816068	182722338	/nfs/dbraw/zinc/72/23/38/182722338.db2.gz	YEIFNACZGGVXTA-NHULRPGXSA-N	1	0	324.341	-1.802	10	0		DAAERO
O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)N1CCNC(=O)C1	ZINC000105883459	194157790	/nfs/dbraw/zinc/15/77/90/194157790.db2.gz	LWDPEOZPRACDSH-LBPRGKRZSA-N	1	0	306.370	-1.052	10	0		DAAERO
[NH3+]C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1	ZINC000050350839	183782543	/nfs/dbraw/zinc/78/25/43/183782543.db2.gz	DPMYUKVZHGOHPF-VIFPVBQESA-N	1	0	312.413	-1.447	10	0		DAAERO
C[NH+](C)CC(=O)N1Cc2cncn2[C@@H](CNS(C)(=O)=O)C1	ZINC000248042164	257110805	/nfs/dbraw/zinc/11/08/05/257110805.db2.gz	VVALRSRYWGUCNH-NSHDSACASA-N	1	0	315.399	-1.123	10	0		DAAERO
O=C(CN1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1)N1CCCCC1	ZINC000163942169	132127580	/nfs/dbraw/zinc/12/75/80/132127580.db2.gz	WGNGKCFDMABREC-KBPBESRZSA-N	1	0	324.425	-1.134	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C	ZINC000408110778	409371609	/nfs/dbraw/zinc/37/16/09/409371609.db2.gz	VGNICXBVKOFQDY-WDEREUQCSA-N	1	0	307.416	-1.209	10	0		DAAERO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](S(N)(=O)=O)C1	ZINC000408180857	409380773	/nfs/dbraw/zinc/38/07/73/409380773.db2.gz	WUKAKONUEMCCRZ-QWRGUYRKSA-N	1	0	305.400	-1.156	10	0		DAAERO
C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	ZINC000408180858	409381207	/nfs/dbraw/zinc/38/12/07/409381207.db2.gz	WUKAKONUEMCCRZ-WDEREUQCSA-N	1	0	305.400	-1.156	10	0		DAAERO
CS(=O)(=O)NCC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000408382809	409390212	/nfs/dbraw/zinc/39/02/12/409390212.db2.gz	SUQPUUIBYRVFRY-UWVGGRQHSA-N	1	0	313.445	-1.014	10	0		DAAERO
COC[C@@]1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]1	ZINC000653203534	409340193	/nfs/dbraw/zinc/34/01/93/409340193.db2.gz	PTHGEEUCSOBNBA-ZYHUDNBSSA-N	1	0	305.400	-1.095	10	0		DAAERO
Cn1cc(C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)c(=O)n(C)c1=O	ZINC000328947444	409416340	/nfs/dbraw/zinc/41/63/40/409416340.db2.gz	VTSSVQDDFKNWCR-CHWSQXEVSA-N	1	0	308.382	-1.011	10	0		DAAERO
COC[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CCC[NH2+]1	ZINC000659342638	409602162	/nfs/dbraw/zinc/60/21/62/409602162.db2.gz	QLFXEEGVPZWJMT-FOGDFJRCSA-N	1	0	306.384	-1.317	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000408060801	262617706	/nfs/dbraw/zinc/61/77/06/262617706.db2.gz	FBDRKHCOYAFOBU-UWVGGRQHSA-N	1	0	306.388	-2.028	10	0		DAAERO
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262115577	262492564	/nfs/dbraw/zinc/49/25/64/262492564.db2.gz	FPMBCJCNNLOULO-QJPTWQEYSA-N	1	0	319.427	-1.113	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000408060800	262618428	/nfs/dbraw/zinc/61/84/28/262618428.db2.gz	FBDRKHCOYAFOBU-NXEZZACHSA-N	1	0	306.388	-2.028	10	0		DAAERO
CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O	ZINC000408382811	263224312	/nfs/dbraw/zinc/22/43/12/263224312.db2.gz	SUQPUUIBYRVFRY-ZJUUUORDSA-N	1	0	313.445	-1.014	10	0		DAAERO
O=C(CNC(=O)COc1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262248705	263245448	/nfs/dbraw/zinc/24/54/48/263245448.db2.gz	LKLDNNYFTZVYDH-DGCLKSJQSA-N	1	0	307.350	-1.122	10	0		DAAERO
C[C@H]1CN(C)CCN1C(=O)CNS(=O)(=O)c1cnn(C)c1	ZINC000408114152	263253706	/nfs/dbraw/zinc/25/37/06/263253706.db2.gz	WBWZRAWEUOJYFM-JTQLQIEISA-N	1	0	315.399	-1.139	10	0		DAAERO
CCN1CCN(Cc2nc([C@H]3C[NH2+]CCN3C)no2)C(=O)C1=O	ZINC000263236940	263278064	/nfs/dbraw/zinc/27/80/64/263278064.db2.gz	ODORLVXAGGCORU-SNVBAGLBSA-N	1	0	322.369	-1.164	10	0		DAAERO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262115311	263281070	/nfs/dbraw/zinc/28/10/70/263281070.db2.gz	FOOCSQPOCHNBIT-SKDRFNHKSA-N	1	0	318.333	-1.201	10	0		DAAERO
CC(=O)N1CCC[C@@](O)(C(=O)N2CCN(C[C@@H](C)O)CC2)C1	ZINC000408056956	263300948	/nfs/dbraw/zinc/30/09/48/263300948.db2.gz	NXSXTQZNLXNBTQ-DOMZBBRYSA-N	1	0	313.398	-1.115	10	0		DAAERO
CN(C)S(=O)(=O)CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000408042233	263315600	/nfs/dbraw/zinc/31/56/00/263315600.db2.gz	QQZGTSHSGHHYNX-QWRGUYRKSA-N	1	0	305.400	-1.191	10	0		DAAERO
CCS(=O)(=O)NCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000408045388	263316675	/nfs/dbraw/zinc/31/66/75/263316675.db2.gz	ZINJQHDMXRISOH-MNOVXSKESA-N	1	0	305.400	-1.143	10	0		DAAERO
C[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1N1CCOCC1	ZINC000246580198	263324138	/nfs/dbraw/zinc/32/41/38/263324138.db2.gz	WAQSTSWUVCTTKI-QWHCGFSZSA-N	1	0	310.398	-1.403	10	0		DAAERO
C[C@@H]1O[C@@H](OCCNC(=O)CCCCC[NH3+])[C@@H](O)[C@H](O)[C@@H]1O	ZINC000584604859	337371468	/nfs/dbraw/zinc/37/14/68/337371468.db2.gz	UADZEXFGCLEHCF-QIWZIZFYSA-N	1	0	320.386	-1.534	10	0		DAAERO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262115293	545798071	/nfs/dbraw/zinc/79/80/71/545798071.db2.gz	FOOCSQPOCHNBIT-JOYOIKCWSA-N	1	0	318.333	-1.201	10	0		DAAERO
Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c2c(=O)[nH]n(C)c2n1	ZINC000262156355	545798191	/nfs/dbraw/zinc/79/81/91/545798191.db2.gz	IANUUGIJNAHNNA-WCBMZHEXSA-N	1	0	305.338	-1.120	10	0		DAAERO
CNS(=O)(=O)c1csc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1	ZINC000262321327	545798769	/nfs/dbraw/zinc/79/87/69/545798769.db2.gz	RJPALMWOJWRNPM-CBAPKCEASA-N	1	0	319.408	-1.034	10	0		DAAERO
O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262256991	545799169	/nfs/dbraw/zinc/79/91/69/545799169.db2.gz	LXPDYQOULARDHJ-DTWKUNHWSA-N	1	0	319.408	-1.277	10	0		DAAERO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027103	571766448	/nfs/dbraw/zinc/76/64/48/571766448.db2.gz	NIKBMHGRNAPJFW-DTWKUNHWSA-N	1	0	311.346	-1.888	10	0	endogenous,in-vitro	DAAERO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027843	571769686	/nfs/dbraw/zinc/76/96/86/571769686.db2.gz	NIKBMHGRNAPJFW-BDAKNGLRSA-N	1	0	311.346	-1.888	10	0	endogenous,in-man	DAAERO
CCNS(=O)(=O)CCNC(=O)C(C)(C)N1CC[NH2+]CC1	ZINC000226338356	663178239	/nfs/dbraw/zinc/17/82/39/663178239.db2.gz	JNZFBYFMKKFUND-UHFFFAOYSA-N	1	0	306.432	-1.274	10	0		DAAERO
Cn1c(=O)cc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n(C)c1=O	ZINC000858758387	663910638	/nfs/dbraw/zinc/91/06/38/663910638.db2.gz	OYMXMZGEZWWHRQ-MNOVXSKESA-N	1	0	319.369	-1.333	10	0		DAAERO
C[NH+](C)CC1(O)CCN(CCS(=O)(=O)CC(=O)[O-])CC1	ZINC000710611546	969049734	/nfs/dbraw/zinc/04/97/34/969049734.db2.gz	QLUPWSVVCNPPIG-UHFFFAOYSA-N	1	0	308.400	-1.126	10	0		DAAERO
O=C(NCCN1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]CCO1	ZINC000188276390	372779607	/nfs/dbraw/zinc/77/96/07/372779607.db2.gz	DVPCBBMFOQCEJA-CYBMUJFWSA-N	1	0	320.397	-1.297	10	0		DAAERO
CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1	ZINC000237029215	372855897	/nfs/dbraw/zinc/85/58/97/372855897.db2.gz	KJHSGQQNBXWNGR-OLZOCXBDSA-N	1	0	312.414	-1.278	10	0		DAAERO
CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1	ZINC000237029245	372856615	/nfs/dbraw/zinc/85/66/15/372856615.db2.gz	KJHSGQQNBXWNGR-STQMWFEESA-N	1	0	312.414	-1.278	10	0		DAAERO
O=C(CCO)N1CCc2nnc([C@H]3CC[N@@H+](CCO)C3)n2CC1	ZINC000257188415	372858718	/nfs/dbraw/zinc/85/87/18/372858718.db2.gz	FIPXOBVUTFMQRC-LBPRGKRZSA-N	1	0	323.397	-1.173	10	0		DAAERO
CN1CC(=O)N(CC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)C1=O	ZINC000328860734	373251555	/nfs/dbraw/zinc/25/15/55/373251555.db2.gz	AMZNUGZAIVAMAU-GHMZBOCLSA-N	1	0	310.354	-1.188	10	0		DAAERO
CN1CCO[C@H]2CCN(S(=O)(=O)N3CCOCC3)C[C@@H]21	ZINC000328849971	373253155	/nfs/dbraw/zinc/25/31/55/373253155.db2.gz	BJOYACNOYCOSEE-RYUDHWBXSA-N	1	0	305.400	-1.032	10	0		DAAERO
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1COCCN1	ZINC000262181384	373334090	/nfs/dbraw/zinc/33/40/90/373334090.db2.gz	ZDGDEERCSBAKTL-VHSXEESVSA-N	1	0	310.320	-1.073	10	0		DAAERO
[NH3+]CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000013834707	373370357	/nfs/dbraw/zinc/37/03/57/373370357.db2.gz	PQJLAZRZUFGWPG-QYVSTXNMSA-N	1	0	324.341	-1.802	10	0		DAAERO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1	ZINC000171340057	373563835	/nfs/dbraw/zinc/56/38/35/373563835.db2.gz	QAYYHZVNFFWRGR-GFCCVEGCSA-N	1	0	308.382	-1.111	10	0		DAAERO
CSCC(=O)N[C@H]1CCN2C(=O)[C@@H]3[C@@H]([NH3+])CCN3C(=O)[C@H]12	ZINC000003839663	373693181	/nfs/dbraw/zinc/69/31/81/373693181.db2.gz	OTSXXRMGDABPHA-UUTMEEIUSA-N	1	0	312.395	-1.623	10	0		DAAERO
Cn1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc(=O)n(C)c1=O	ZINC000173927842	373738398	/nfs/dbraw/zinc/73/83/98/373738398.db2.gz	LFUOMRCYJTVCTF-GFCCVEGCSA-N	1	0	308.382	-1.010	10	0		DAAERO
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000040439709	183067497	/nfs/dbraw/zinc/06/74/97/183067497.db2.gz	BNODVYXZAAXSHW-IUCAKERBSA-N	1	0	311.346	-1.888	10	0	endogenous,in-vitro	DAAERO
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CC[NH2+]CC1	ZINC000040860189	183142871	/nfs/dbraw/zinc/14/28/71/183142871.db2.gz	LQFQGHURBXIQEN-SNVBAGLBSA-N	1	0	311.429	-1.355	10	0		DAAERO
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000647039579	409325648	/nfs/dbraw/zinc/32/56/48/409325648.db2.gz	PUWZBRIDKPMXMQ-GMTAPVOTSA-N	1	0	305.400	-1.503	10	0		DAAERO
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000647039578	409326977	/nfs/dbraw/zinc/32/69/77/409326977.db2.gz	PUWZBRIDKPMXMQ-AXFHLTTASA-N	1	0	305.400	-1.503	10	0		DAAERO
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000647039580	409326993	/nfs/dbraw/zinc/32/69/93/409326993.db2.gz	PUWZBRIDKPMXMQ-HBNTYKKESA-N	1	0	305.400	-1.503	10	0		DAAERO
COC[C@]1(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CCC[NH2+]1	ZINC000659342644	409603799	/nfs/dbraw/zinc/60/37/99/409603799.db2.gz	QLFXEEGVPZWJMT-UMNHJUIQSA-N	1	0	306.384	-1.317	10	0		DAAERO
CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C1=O	ZINC000262274478	262493810	/nfs/dbraw/zinc/49/38/10/262493810.db2.gz	NGYKUDGOGKNWIY-UWVGGRQHSA-N	1	0	312.370	-1.207	10	0		DAAERO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262115251	263220563	/nfs/dbraw/zinc/22/05/63/263220563.db2.gz	FOOCSQPOCHNBIT-BXKDBHETSA-N	1	0	318.333	-1.201	10	0		DAAERO
C[C@H](C(=O)N1CC[C@@H](NS(C)(=O)=O)C1)N1CCOCC1	ZINC000408183299	263229457	/nfs/dbraw/zinc/22/94/57/263229457.db2.gz	PYKLPEAAJMTAJQ-GHMZBOCLSA-N	1	0	305.400	-1.143	10	0		DAAERO
O=C(CN1CCN(c2ccccn2)CC1)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262376979	263241479	/nfs/dbraw/zinc/24/14/79/263241479.db2.gz	WSBBWONQPAYSIQ-UONOGXRCSA-N	1	0	319.409	-1.100	10	0		DAAERO
O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1	ZINC000188388963	263251766	/nfs/dbraw/zinc/25/17/66/263251766.db2.gz	HKLJBDIJRJALEI-GXSJLCMTSA-N	1	0	312.345	-1.364	10	0		DAAERO
CC(=O)N1CCC[C@](O)(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)C1	ZINC000329090397	263253043	/nfs/dbraw/zinc/25/30/43/263253043.db2.gz	WNJDVTRNYVEWFU-KCQAQPDRSA-N	1	0	311.382	-1.099	10	0		DAAERO
CCN1CCN(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C(=O)C1=O	ZINC000195332353	263257315	/nfs/dbraw/zinc/25/73/15/263257315.db2.gz	REZJVQAWUSJQHE-LBPRGKRZSA-N	1	0	308.382	-1.016	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000407994627	263258126	/nfs/dbraw/zinc/25/81/26/263258126.db2.gz	DLVBFWNKUFLRTK-NXEZZACHSA-N	1	0	308.404	-2.046	10	0		DAAERO
COC[C@@H]([NH3+])C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000262171270	263273594	/nfs/dbraw/zinc/27/35/94/263273594.db2.gz	ASUJDANLSRXSFB-GHMZBOCLSA-N	1	0	305.400	-1.013	10	0		DAAERO
O=S(=O)(N1CC[C@H](N2CCOCC2)C1)N1CCOCC1	ZINC000329662733	263275856	/nfs/dbraw/zinc/27/58/56/263275856.db2.gz	OXQOQIPRHSVWLX-LBPRGKRZSA-N	1	0	305.400	-1.030	10	0		DAAERO
CN1CCO[C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]21	ZINC000328875703	263279634	/nfs/dbraw/zinc/27/96/34/263279634.db2.gz	FZJPNOZSXHDTQL-CHWSQXEVSA-N	1	0	308.382	-1.011	10	0		DAAERO
CN(C)S(=O)(=O)CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000408042234	263285909	/nfs/dbraw/zinc/28/59/09/263285909.db2.gz	QQZGTSHSGHHYNX-WDEREUQCSA-N	1	0	305.400	-1.191	10	0		DAAERO
O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262327755	263303925	/nfs/dbraw/zinc/30/39/25/263303925.db2.gz	RZOUFOGPIHCABF-BXKDBHETSA-N	1	0	303.318	-1.021	10	0		DAAERO
COC[C@H]([NH3+])C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000262171274	263306860	/nfs/dbraw/zinc/30/68/60/263306860.db2.gz	ASUJDANLSRXSFB-QWRGUYRKSA-N	1	0	305.400	-1.013	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C	ZINC000408110572	263321841	/nfs/dbraw/zinc/32/18/41/263321841.db2.gz	RWLYILQREXJBFS-NEPJUHHUSA-N	1	0	319.427	-1.065	10	0		DAAERO
CN1CCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1	ZINC000245456044	263324382	/nfs/dbraw/zinc/32/43/82/263324382.db2.gz	IPGODDWLPSNOPJ-QWHCGFSZSA-N	1	0	312.414	-1.157	10	0		DAAERO
Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+](C)C)C2)c1	ZINC000151261157	289311152	/nfs/dbraw/zinc/31/11/52/289311152.db2.gz	TZGKUULOEOAMLB-SNVBAGLBSA-N	1	0	315.399	-1.139	10	0		DAAERO
Cn1cc(S(=O)(=O)N[C@](C)(C[NH3+])C2CC2)c(=O)n(C)c1=O	ZINC000133766476	332141872	/nfs/dbraw/zinc/14/18/72/332141872.db2.gz	XCEWJILGYHMWCS-GFCCVEGCSA-N	1	0	316.383	-1.510	10	0		DAAERO
CCS(=O)(=O)NCCNC(=O)C(C)(C)N1CC[NH2+]CC1	ZINC000390177075	336934881	/nfs/dbraw/zinc/93/48/81/336934881.db2.gz	BIGOBAOIMCNBNR-UHFFFAOYSA-N	1	0	306.432	-1.274	10	0		DAAERO
COC(=O)[C@H]1[C@@H]2O[C@@H]([C@H]3NN[N+](=C4C=CC=C4)[C@@H]32)[C@H]1C(=O)OC	ZINC000575105247	341777899	/nfs/dbraw/zinc/77/78/99/341777899.db2.gz	PFRVKFRERGVTNQ-JOGIVDDZSA-N	1	0	320.325	-1.315	10	0		DAAERO
CN1NC(=[NH2+])C2=CN([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@@H]3N=CN=C1[C@@H]23	ZINC000575119023	341779185	/nfs/dbraw/zinc/77/91/85/341779185.db2.gz	VMYFCHKIBLUQHZ-VWHXKEDCSA-N	1	0	322.325	-2.565	10	0		DAAERO
CO[C@H]1C[C@@H](C(=O)N2CCN(S(N)(=O)=O)CC2)[N@H+](C)C1	ZINC000408038558	545669146	/nfs/dbraw/zinc/66/91/46/545669146.db2.gz	NJAYFIZKLPNUDA-UWVGGRQHSA-N	1	0	306.388	-1.947	10	0		DAAERO
C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000408042212	545671032	/nfs/dbraw/zinc/67/10/32/545671032.db2.gz	QEWHLHAXCJSADG-GARJFASQSA-N	1	0	305.400	-1.144	10	0		DAAERO
C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000408042211	545671052	/nfs/dbraw/zinc/67/10/52/545671052.db2.gz	QEWHLHAXCJSADG-DCAQKATOSA-N	1	0	305.400	-1.144	10	0		DAAERO
CCS(=O)(=O)NCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000408045385	545675207	/nfs/dbraw/zinc/67/52/07/545675207.db2.gz	ZINJQHDMXRISOH-GHMZBOCLSA-N	1	0	305.400	-1.143	10	0		DAAERO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262115277	545797348	/nfs/dbraw/zinc/79/73/48/545797348.db2.gz	FOOCSQPOCHNBIT-CABZTGNLSA-N	1	0	318.333	-1.201	10	0		DAAERO
CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1	ZINC000262282615	545798628	/nfs/dbraw/zinc/79/86/28/545798628.db2.gz	OALVDJCIJXTXCH-ZYHUDNBSSA-N	1	0	313.379	-1.095	10	0		DAAERO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C1	ZINC000262343494	545798643	/nfs/dbraw/zinc/79/86/43/545798643.db2.gz	TYYUSHPSBDWZMC-SDDRHHMPSA-N	1	0	319.427	-1.255	10	0		DAAERO
CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1	ZINC000262343399	545798682	/nfs/dbraw/zinc/79/86/82/545798682.db2.gz	TXFGOTGHENYLSS-PWSUYJOCSA-N	1	0	313.379	-1.095	10	0		DAAERO
O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262257000	545798704	/nfs/dbraw/zinc/79/87/04/545798704.db2.gz	LXPDYQOULARDHJ-RKDXNWHRSA-N	1	0	319.408	-1.277	10	0		DAAERO
CNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1	ZINC000262343398	545799126	/nfs/dbraw/zinc/79/91/26/545799126.db2.gz	TXFGOTGHENYLSS-JQWIXIFHSA-N	1	0	313.379	-1.095	10	0		DAAERO
C[N@@H+]1CC[C@H]2OCCN(C(=O)CCCS(N)(=O)=O)[C@H]2C1	ZINC000908096233	662799837	/nfs/dbraw/zinc/79/98/37/662799837.db2.gz	JRGWXJHHTCOTJL-WDEREUQCSA-N	1	0	305.400	-1.013	10	0		DAAERO
C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1CN(S(C)(=O)=O)C1	ZINC000908366437	662802676	/nfs/dbraw/zinc/80/26/76/662802676.db2.gz	OABCGJRZXOVXNS-ZYHUDNBSSA-N	1	0	319.427	-1.209	10	0		DAAERO
C[NH+](C)[C@@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1n1ccnn1	ZINC000859752623	663913111	/nfs/dbraw/zinc/91/31/11/663913111.db2.gz	NZXDQXKGZRICRI-OLZOCXBDSA-N	1	0	308.386	-1.076	10	0		DAAERO
COC[C@@]1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]1	ZINC000643707417	664211158	/nfs/dbraw/zinc/21/11/58/664211158.db2.gz	WRFSBKPEQBWVNF-ZYHUDNBSSA-N	1	0	305.400	-1.095	10	0		DAAERO
COC[C@]1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]1	ZINC000643707416	664211484	/nfs/dbraw/zinc/21/14/84/664211484.db2.gz	WRFSBKPEQBWVNF-PWSUYJOCSA-N	1	0	305.400	-1.095	10	0		DAAERO
COCCN(CCC[NH3+])S(=O)(=O)CCS(C)(=O)=O	ZINC000071223299	190944957	/nfs/dbraw/zinc/94/49/57/190944957.db2.gz	ZZLSKVALRZNTSF-UHFFFAOYSA-N	1	0	302.418	-1.342	10	0		DAAERO
CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1	ZINC000643637908	372799643	/nfs/dbraw/zinc/79/96/43/372799643.db2.gz	BTMWRJBIVOJDGU-WDEREUQCSA-N	1	0	305.400	-1.237	10	0		DAAERO
CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1	ZINC000643637905	372799931	/nfs/dbraw/zinc/79/99/31/372799931.db2.gz	BTMWRJBIVOJDGU-GHMZBOCLSA-N	1	0	305.400	-1.237	10	0		DAAERO
CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1	ZINC000643659848	372803595	/nfs/dbraw/zinc/80/35/95/372803595.db2.gz	ITVUGMJQSKOFGL-WDEREUQCSA-N	1	0	305.400	-1.237	10	0		DAAERO
CO[C@@H]1O[C@H](C[NH3+])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000247846187	372852618	/nfs/dbraw/zinc/85/26/18/372852618.db2.gz	MWPYXTVIEWXASO-QNWJLWSRSA-N	1	0	318.326	-1.316	10	0		DAAERO
CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1	ZINC000237029674	372856432	/nfs/dbraw/zinc/85/64/32/372856432.db2.gz	KJHSGQQNBXWNGR-CHWSQXEVSA-N	1	0	312.414	-1.278	10	0		DAAERO
C[C@H]([NH3+])C(=O)N[C@H](CCC(N)=O)C(=O)NCCCCCCO	ZINC000029564470	372858599	/nfs/dbraw/zinc/85/85/99/372858599.db2.gz	AEFAYIFOMAOZEA-WDEREUQCSA-N	1	0	316.402	-1.247	10	0		DAAERO
O=C(CCO)N1CC[C@H](c2nnc3n2CC[N@@H+](CCO)CC3)C1	ZINC000257193355	372859099	/nfs/dbraw/zinc/85/90/99/372859099.db2.gz	YCTSBKOCZYIYOV-LBPRGKRZSA-N	1	0	323.397	-1.173	10	0		DAAERO
NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+]	ZINC000015721890	182012914	/nfs/dbraw/zinc/01/29/14/182012914.db2.gz	MOEPHRFTLBPHLI-UHFFFAOYSA-N	1	0	302.291	-5.105	10	0		DAAERO
CC[C@@H](O)C[NH+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1	ZINC000179560745	372933924	/nfs/dbraw/zinc/93/39/24/372933924.db2.gz	QEZINVXEGNNDNA-CYBMUJFWSA-N	1	0	310.398	-1.028	10	0		DAAERO
CN1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1	ZINC000174391838	373298969	/nfs/dbraw/zinc/29/89/69/373298969.db2.gz	IPGODDWLPSNOPJ-CHWSQXEVSA-N	1	0	312.414	-1.157	10	0		DAAERO
Cn1c(N)c(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(=O)n(C)c1=O	ZINC000193658787	373320068	/nfs/dbraw/zinc/32/00/68/373320068.db2.gz	APVLZZSEHGVJEH-AOOOYVTPSA-N	1	0	321.381	-1.658	10	0		DAAERO
C[NH+](C)CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000244420241	373321201	/nfs/dbraw/zinc/32/12/01/373321201.db2.gz	YTCYSINQSJQZOC-QWRGUYRKSA-N	1	0	317.411	-1.300	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C	ZINC000245684745	373321359	/nfs/dbraw/zinc/32/13/59/373321359.db2.gz	AIRKJGDJPHMWHI-NEPJUHHUSA-N	1	0	310.398	-1.029	10	0		DAAERO
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1COCCN1	ZINC000262181377	373333438	/nfs/dbraw/zinc/33/34/38/373333438.db2.gz	ZDGDEERCSBAKTL-NXEZZACHSA-N	1	0	310.320	-1.073	10	0		DAAERO
O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1COCCN1	ZINC000262181387	373334855	/nfs/dbraw/zinc/33/48/55/373334855.db2.gz	ZDGDEERCSBAKTL-ZJUUUORDSA-N	1	0	310.320	-1.073	10	0		DAAERO
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262413264	373334920	/nfs/dbraw/zinc/33/49/20/373334920.db2.gz	ZJQRNINAWLYKJH-WDEREUQCSA-N	1	0	324.381	-1.062	10	0		DAAERO
COC(=O)[C@H]1[C@@H]2O[C@@H]([C@@H]3NN[N+](=C4C=CC=C4)[C@H]32)[C@H]1C(=O)OC	ZINC000575105250	373564913	/nfs/dbraw/zinc/56/49/13/373564913.db2.gz	PFRVKFRERGVTNQ-TXWLSFLZSA-N	1	0	320.325	-1.315	10	0		DAAERO
CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1	ZINC000037808954	373606635	/nfs/dbraw/zinc/60/66/35/373606635.db2.gz	YEQIAOJZBJOUBT-NSHDSACASA-N	1	0	304.416	-1.063	10	0		DAAERO
CCN(CCC[NH2+]C[C@H](O)CN1CCOCC1)S(C)(=O)=O	ZINC000038035672	182975393	/nfs/dbraw/zinc/97/53/93/182975393.db2.gz	LVAMBWQAVAMICM-ZDUSSCGKSA-N	1	0	323.459	-1.059	10	0		DAAERO
CS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]2)CC1	ZINC000062082602	184205024	/nfs/dbraw/zinc/20/50/24/184205024.db2.gz	AJTQHDWPONUDAK-SNVBAGLBSA-N	1	0	311.429	-1.355	10	0		DAAERO
C[NH+](C)CC(=O)N1Cc2cncn2[C@H](CNS(C)(=O)=O)C1	ZINC000248042163	257111045	/nfs/dbraw/zinc/11/10/45/257111045.db2.gz	VVALRSRYWGUCNH-LLVKDONJSA-N	1	0	315.399	-1.123	10	0		DAAERO
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000647039581	409326807	/nfs/dbraw/zinc/32/68/07/409326807.db2.gz	PUWZBRIDKPMXMQ-MXWKQRLJSA-N	1	0	305.400	-1.503	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C	ZINC000408124065	409375084	/nfs/dbraw/zinc/37/50/84/409375084.db2.gz	MGSYQPZTASNSAY-YXCITZCRSA-N	1	0	313.398	-1.118	10	0		DAAERO
CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)N(C)C1	ZINC000408033714	409331409	/nfs/dbraw/zinc/33/14/09/409331409.db2.gz	AZYCGILTGZDARK-AXFHLTTASA-N	1	0	305.400	-1.015	10	0		DAAERO
O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262112725	262491843	/nfs/dbraw/zinc/49/18/43/262491843.db2.gz	FKUPLKNNBDAQSF-ZWNOBZJWSA-N	1	0	317.349	-1.122	10	0		DAAERO
O=C(CCn1nc2ccccn2c1=O)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262392827	262494290	/nfs/dbraw/zinc/49/42/90/262494290.db2.gz	XZXUZNIXGIKTRI-WDEREUQCSA-N	1	0	305.338	-1.417	10	0		DAAERO
CN1CCO[C@H]2CCN(C(=O)NCCNS(C)(=O)=O)C[C@@H]21	ZINC000408015157	263222304	/nfs/dbraw/zinc/22/23/04/263222304.db2.gz	AUQVSIWRSWJVBK-QWRGUYRKSA-N	1	0	320.415	-1.350	10	0		DAAERO
[NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)O1	ZINC000262170770	263228824	/nfs/dbraw/zinc/22/88/24/263228824.db2.gz	YOHKPUCBFKMRQA-OLZOCXBDSA-N	1	0	310.398	-1.085	10	0		DAAERO
O=C(CCNC(=O)C1C[NH2+]C1)N1CCN(c2ncccn2)CC1	ZINC000262178944	263230984	/nfs/dbraw/zinc/23/09/84/263230984.db2.gz	DMHQHXGRBYECIZ-UHFFFAOYSA-N	1	0	318.381	-1.149	10	0		DAAERO
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262206037	263241810	/nfs/dbraw/zinc/24/18/10/263241810.db2.gz	INCAEQSJOFAMFJ-WYUUTHIRSA-N	1	0	309.366	-1.142	10	0		DAAERO
NS(=O)(=O)N1CCN(C[C@H](O)CN2CCCC2=O)CC1	ZINC000407951497	263244134	/nfs/dbraw/zinc/24/41/34/263244134.db2.gz	ORLYQYOHBPGHHO-JTQLQIEISA-N	1	0	306.388	-2.209	10	0		DAAERO
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCO)[C@H]1C	ZINC000347147166	263248211	/nfs/dbraw/zinc/24/82/11/263248211.db2.gz	MGSYQPZTASNSAY-RUZUBIRVSA-N	1	0	313.398	-1.118	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000408060802	263257586	/nfs/dbraw/zinc/25/75/86/263257586.db2.gz	FBDRKHCOYAFOBU-VHSXEESVSA-N	1	0	306.388	-2.028	10	0		DAAERO
Cn1cc(C[N@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)c(=O)n(C)c1=O	ZINC000328947445	263266450	/nfs/dbraw/zinc/26/64/50/263266450.db2.gz	VTSSVQDDFKNWCR-OLZOCXBDSA-N	1	0	308.382	-1.011	10	0		DAAERO
CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H]([NH+](C)C)C1	ZINC000408447790	263279105	/nfs/dbraw/zinc/27/91/05/263279105.db2.gz	IHUUIMQQBISZPG-JTQLQIEISA-N	1	0	313.445	-1.109	10	0		DAAERO
O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C1C[NH2+]C1	ZINC000263257990	263285986	/nfs/dbraw/zinc/28/59/86/263285986.db2.gz	FWDHIXXFMIDCBK-LLVKDONJSA-N	1	0	305.400	-1.190	10	0		DAAERO
O=C(CN1CCN(c2ccccn2)CC1)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262376971	263298019	/nfs/dbraw/zinc/29/80/19/263298019.db2.gz	WSBBWONQPAYSIQ-KBPBESRZSA-N	1	0	319.409	-1.100	10	0		DAAERO
CS(=O)(=O)N1CCN(C[C@H](O)CN2CCCC2=O)CC1	ZINC000407951666	263301593	/nfs/dbraw/zinc/30/15/93/263301593.db2.gz	RKTJZUQZLJIQPL-NSHDSACASA-N	1	0	305.400	-1.453	10	0		DAAERO
C[C@@H]1C(=O)NCCCN1C[C@@H](O)CN1CCCNC(=O)[C@@H]1C	ZINC000248727342	263314442	/nfs/dbraw/zinc/31/44/42/263314442.db2.gz	IQVGGIKYLZXRSK-CLLJXQQHSA-N	1	0	312.414	-1.232	10	0		DAAERO
C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000408042210	263317776	/nfs/dbraw/zinc/31/77/76/263317776.db2.gz	QEWHLHAXCJSADG-AXFHLTTASA-N	1	0	305.400	-1.144	10	0		DAAERO
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262412076	263317928	/nfs/dbraw/zinc/31/79/28/263317928.db2.gz	ZJQRNINAWLYKJH-GHMZBOCLSA-N	1	0	324.381	-1.062	10	0		DAAERO
Cn1cc(N2CC[C@@H](N3CCC[C@@](O)(C(N)=O)C3)C2=O)cn1	ZINC000407951111	263324053	/nfs/dbraw/zinc/32/40/53/263324053.db2.gz	AOORBNVEBDPTLL-RISCZKNCSA-N	1	0	307.354	-1.162	10	0		DAAERO
Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c(=O)n(C)c1=O	ZINC000038050053	279346481	/nfs/dbraw/zinc/34/64/81/279346481.db2.gz	MRMIGDPZWOKTFT-DTWKUNHWSA-N	1	0	316.383	-1.368	10	0		DAAERO
Cn1cc(S(=O)(=O)N2CCC([NH3+])CC2)c(=O)n(C)c1=O	ZINC000019985537	294269206	/nfs/dbraw/zinc/26/92/06/294269206.db2.gz	VJFJWCBDZTWBLF-UHFFFAOYSA-N	1	0	302.356	-1.804	10	0		DAAERO
Cn1cc(S(=O)(=O)N[C@@](C)(C[NH3+])C2CC2)c(=O)n(C)c1=O	ZINC000133766623	332141958	/nfs/dbraw/zinc/14/19/58/332141958.db2.gz	XCEWJILGYHMWCS-LBPRGKRZSA-N	1	0	316.383	-1.510	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000329188426	545658245	/nfs/dbraw/zinc/65/82/45/545658245.db2.gz	PKGDTICHASMZHF-REWJHTLYSA-N	1	0	311.382	-1.100	10	0		DAAERO
CO[C@@H]1C[NH2+][C@H](C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)C1	ZINC000583618306	545671078	/nfs/dbraw/zinc/67/10/78/545671078.db2.gz	MEUMYFHLUSHGQQ-RYUDHWBXSA-N	1	0	307.354	-1.028	10	0		DAAERO
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262115587	545797459	/nfs/dbraw/zinc/79/74/59/545797459.db2.gz	FPMBCJCNNLOULO-TUAOUCFPSA-N	1	0	319.427	-1.113	10	0		DAAERO
O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262364771	545798334	/nfs/dbraw/zinc/79/83/34/545798334.db2.gz	VLWGTICFRJTDGH-YPMHNXCESA-N	1	0	302.338	-1.099	10	0		DAAERO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C1	ZINC000262343496	545799111	/nfs/dbraw/zinc/79/91/11/545799111.db2.gz	TYYUSHPSBDWZMC-SRVKXCTJSA-N	1	0	319.427	-1.255	10	0		DAAERO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027858	574415174	/nfs/dbraw/zinc/41/51/74/574415174.db2.gz	NIKBMHGRNAPJFW-RKDXNWHRSA-N	1	0	311.346	-1.888	10	0	endogenous,in-vitro	DAAERO
CNS(=O)(=O)CCN1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1	ZINC000888100790	662645872	/nfs/dbraw/zinc/64/58/72/662645872.db2.gz	UDOVQRHTWWKMPZ-MNOVXSKESA-N	1	0	302.404	-1.386	10	0		DAAERO
Cn1c2[nH]c(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)nc2c(=O)n(C)c1=O	ZINC000894179391	662679133	/nfs/dbraw/zinc/67/91/33/662679133.db2.gz	VSDJQELETPDRMF-DTWKUNHWSA-N	1	0	320.353	-1.521	10	0		DAAERO
C[N@@H+]1CC[C@H]2OCCN(C(=O)CCCS(N)(=O)=O)[C@@H]2C1	ZINC000908096230	662799742	/nfs/dbraw/zinc/79/97/42/662799742.db2.gz	JRGWXJHHTCOTJL-GHMZBOCLSA-N	1	0	305.400	-1.013	10	0		DAAERO
O=C(N1CCN(CCO)CC1)[C@@]1(N2CC[NH2+]CC2)CCOC1	ZINC000886079308	663970188	/nfs/dbraw/zinc/97/01/88/663970188.db2.gz	QUJRICAVRRRKPK-OAHLLOKOSA-N	1	0	312.414	-1.813	10	0		DAAERO
C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)C[N@H+](C)CCO	ZINC000084403362	192427600	/nfs/dbraw/zinc/42/76/00/192427600.db2.gz	GYHUHVAQUBVRNT-JTQLQIEISA-N	1	0	309.370	-1.006	10	0		DAAERO
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2COCCN2)CC1	ZINC000236840169	202034527	/nfs/dbraw/zinc/03/45/27/202034527.db2.gz	MSKGMWVRPXKBHP-ZDUSSCGKSA-N	1	0	312.414	-1.013	10	0		DAAERO
COC[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCC[NH2+]1	ZINC000643623813	372796731	/nfs/dbraw/zinc/79/67/31/372796731.db2.gz	BWRAEFFIQDQPQX-LBPRGKRZSA-N	1	0	305.400	-1.141	10	0		DAAERO
COC[C@]1(C(=O)NCCN2CCCS2(=O)=O)CCC[NH2+]1	ZINC000643668458	372805559	/nfs/dbraw/zinc/80/55/59/372805559.db2.gz	RWMAKOYBVCGPSW-LBPRGKRZSA-N	1	0	305.400	-1.093	10	0		DAAERO
COC[C@@]1(C(=O)NCCN2CCCS2(=O)=O)CCC[NH2+]1	ZINC000643668457	372806838	/nfs/dbraw/zinc/80/68/38/372806838.db2.gz	RWMAKOYBVCGPSW-GFCCVEGCSA-N	1	0	305.400	-1.093	10	0		DAAERO
O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2COCCN2)CC1	ZINC000238100058	372870316	/nfs/dbraw/zinc/87/03/16/372870316.db2.gz	VITSBRKHNMPYOS-CYBMUJFWSA-N	1	0	310.398	-1.259	10	0		DAAERO
C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)NCCCCCCO	ZINC000029555501	372857965	/nfs/dbraw/zinc/85/79/65/372857965.db2.gz	AEFAYIFOMAOZEA-QWRGUYRKSA-N	1	0	316.402	-1.247	10	0		DAAERO
Cn1c(=O)ccn(CC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1=O	ZINC000116786436	372862460	/nfs/dbraw/zinc/86/24/60/372862460.db2.gz	GDQPGAXOYJSDSE-NSHDSACASA-N	1	0	310.354	-1.664	10	0		DAAERO
CN1CC(=O)N(CC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C1=O	ZINC000328860735	373251775	/nfs/dbraw/zinc/25/17/75/373251775.db2.gz	AMZNUGZAIVAMAU-MNOVXSKESA-N	1	0	310.354	-1.188	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C	ZINC000245684747	373319418	/nfs/dbraw/zinc/31/94/18/373319418.db2.gz	AIRKJGDJPHMWHI-RYUDHWBXSA-N	1	0	310.398	-1.029	10	0		DAAERO
C[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1N1CCOCC1	ZINC000246580186	373326920	/nfs/dbraw/zinc/32/69/20/373326920.db2.gz	WAQSTSWUVCTTKI-CHWSQXEVSA-N	1	0	310.398	-1.403	10	0		DAAERO
O=C(C(CO)NNc1[nH+]ncc2ccccc21)[C@@H](O)[C@@H](O)CO	ZINC000022047827	373615124	/nfs/dbraw/zinc/61/51/24/373615124.db2.gz	JTXLYEKQSQUJTI-CWFGHYLDSA-N	1	0	322.321	-1.535	10	0		DAAERO
[NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CO)C(=O)[O-]	ZINC000039834035	183022141	/nfs/dbraw/zinc/02/21/41/183022141.db2.gz	OZPDGESCTGGNAD-CIUDSAMLSA-N	1	0	320.346	-3.519	10	0		DAAERO
O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH2+]C2)C(=O)N1Cc1cccnc1	ZINC000514287967	257215645	/nfs/dbraw/zinc/21/56/45/257215645.db2.gz	AHBSYZXZXUWBLR-NEPJUHHUSA-N	1	0	302.334	-1.272	10	0	biogenic,in-vitro	DAAERO
O=C(CN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1)N1CCCCC1	ZINC000163942490	132127604	/nfs/dbraw/zinc/12/76/04/132127604.db2.gz	WGNGKCFDMABREC-ZIAGYGMSSA-N	1	0	324.425	-1.134	10	0		DAAERO
O=C(CN1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1)N1CCCCC1	ZINC000163942383	132127848	/nfs/dbraw/zinc/12/78/48/132127848.db2.gz	WGNGKCFDMABREC-KGLIPLIRSA-N	1	0	324.425	-1.134	10	0		DAAERO
C[NH+](C)C[C@@H]1CN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CCO1	ZINC000247068916	289202091	/nfs/dbraw/zinc/20/20/91/289202091.db2.gz	GJTINKCYDKDDLZ-CHWSQXEVSA-N	1	0	312.414	-1.027	10	0		DAAERO
[NH3+]Cc1cc(=O)[nH]c(CNS(=O)(=O)N2CCOCC2)n1	ZINC000658408996	409601901	/nfs/dbraw/zinc/60/19/01/409601901.db2.gz	TUTQFGUDWMZZIF-UHFFFAOYSA-N	1	0	303.344	-1.693	10	0		DAAERO
C[NH+](C)C[C@H]1CN(CC(=O)N2CCC[C@H](C(N)=O)C2)CCO1	ZINC000105926835	335084688	/nfs/dbraw/zinc/08/46/88/335084688.db2.gz	GJTINKCYDKDDLZ-STQMWFEESA-N	1	0	312.414	-1.027	10	0		DAAERO
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1	ZINC000194862571	263219458	/nfs/dbraw/zinc/21/94/58/263219458.db2.gz	XDZVITRTHXRRCH-WDEREUQCSA-N	1	0	308.382	-1.066	10	0		DAAERO
C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)N1CCOCC1	ZINC000408032127	263220991	/nfs/dbraw/zinc/22/09/91/263220991.db2.gz	ZYGGUNQWELUIJD-QWHCGFSZSA-N	1	0	310.398	-1.260	10	0		DAAERO
O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262256996	263241535	/nfs/dbraw/zinc/24/15/35/263241535.db2.gz	LXPDYQOULARDHJ-IUCAKERBSA-N	1	0	319.408	-1.277	10	0		DAAERO
C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)N1CCOCC1	ZINC000408032128	263261925	/nfs/dbraw/zinc/26/19/25/263261925.db2.gz	ZYGGUNQWELUIJD-STQMWFEESA-N	1	0	310.398	-1.260	10	0		DAAERO
C[NH+](C)C[C@H]1CN(CC(=O)NCC(=O)N2CCCC2)CCO1	ZINC000105923970	263264213	/nfs/dbraw/zinc/26/42/13/263264213.db2.gz	YYYLZJDLRGHMIY-ZDUSSCGKSA-N	1	0	312.414	-1.013	10	0		DAAERO
COC(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000408322764	263283183	/nfs/dbraw/zinc/28/31/83/263283183.db2.gz	WAWMOARAIXLHBU-ZDUSSCGKSA-N	1	0	310.398	-1.307	10	0		DAAERO
CCC1(CC)NC(=O)N(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)C1=O	ZINC000262274484	263293347	/nfs/dbraw/zinc/29/33/47/263293347.db2.gz	NGYKUDGOGKNWIY-ZJUUUORDSA-N	1	0	312.370	-1.207	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262364828	263304259	/nfs/dbraw/zinc/30/42/59/263304259.db2.gz	VNRJPPWIHXOWQE-MNOVXSKESA-N	1	0	324.381	-1.062	10	0		DAAERO
O=C(CCn1nc2ccccn2c1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262392824	263308669	/nfs/dbraw/zinc/30/86/69/263308669.db2.gz	XZXUZNIXGIKTRI-GHMZBOCLSA-N	1	0	305.338	-1.417	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000373013544	263312283	/nfs/dbraw/zinc/31/22/83/263312283.db2.gz	LCCFLRZOKPJNSX-MHDGFBEUSA-N	1	0	313.398	-1.118	10	0		DAAERO
CN1CCO[C@H](CNC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1	ZINC000408431894	263314369	/nfs/dbraw/zinc/31/43/69/263314369.db2.gz	CDYDFOWGKSGWMU-NXEZZACHSA-N	1	0	306.388	-1.611	10	0		DAAERO
CN1NC(=[NH2+])C2=CN([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@@H]3N=CN=C1[C@H]23	ZINC000575119021	341779089	/nfs/dbraw/zinc/77/90/89/341779089.db2.gz	VMYFCHKIBLUQHZ-NIBMPQIHSA-N	1	0	322.325	-2.565	10	0		DAAERO
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1	ZINC000246910173	523820360	/nfs/dbraw/zinc/82/03/60/523820360.db2.gz	FQEAJINQYLLEDW-NWDGAFQWSA-N	1	0	308.382	-1.113	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C	ZINC000408229538	545682820	/nfs/dbraw/zinc/68/28/20/545682820.db2.gz	SXGUSZKCOIRSFZ-STQMWFEESA-N	1	0	312.414	-1.326	10	0		DAAERO
[NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(=O)NCCN1CCOCC1	ZINC000261871827	545798217	/nfs/dbraw/zinc/79/82/17/545798217.db2.gz	XYKYNZNSKVUMKD-CHWSQXEVSA-N	1	0	312.414	-1.074	10	0		DAAERO
O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262364770	545799056	/nfs/dbraw/zinc/79/90/56/545799056.db2.gz	VLWGTICFRJTDGH-WCQYABFASA-N	1	0	302.338	-1.099	10	0		DAAERO
C[NH+](C)[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1n1ccnn1	ZINC000859758443	663913637	/nfs/dbraw/zinc/91/36/37/663913637.db2.gz	YUCZQUBSNLTILI-MNOVXSKESA-N	1	0	302.404	-1.386	10	0		DAAERO
Cn1ncc2c1nnn(CN1CCO[C@@H](C[NH+](C)C)C1)c2=O	ZINC000132662798	663961560	/nfs/dbraw/zinc/96/15/60/663961560.db2.gz	JRCFRWHGSNVZIH-JTQLQIEISA-N	1	0	307.358	-1.255	10	0		DAAERO
O=C(N1CCN(CCO)CC1)[C@]1(N2CC[NH2+]CC2)CCOC1	ZINC000886079307	663970888	/nfs/dbraw/zinc/97/08/88/663970888.db2.gz	QUJRICAVRRRKPK-HNNXBMFYSA-N	1	0	312.414	-1.813	10	0		DAAERO
CNS(=O)(=O)NCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000407994629	545666924	/nfs/dbraw/zinc/66/69/24/545666924.db2.gz	DLVBFWNKUFLRTK-VHSXEESVSA-N	1	0	308.404	-2.046	10	0		DAAERO
Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])c(=O)n(C)c1=O	ZINC000038050056	282666998	/nfs/dbraw/zinc/66/69/98/282666998.db2.gz	MRMIGDPZWOKTFT-BDAKNGLRSA-N	1	0	316.383	-1.368	10	0		DAAERO
C[N@H+]1C[C@H](O)CN2CCOCCN(CCOCC2)C[C@H](O)C1	ZINC000004016400	181063249	/nfs/dbraw/zinc/06/32/49/181063249.db2.gz	YLAOJSYSYWLDGZ-GASCZTMLSA-N	1	0	317.430	-1.696	10	0		DAAERO
C[NH+]1C[C@@H](O)CN2CCOCCN(CCOCC2)C[C@H](O)C1	ZINC000004016401	181063162	/nfs/dbraw/zinc/06/31/62/181063162.db2.gz	YLAOJSYSYWLDGZ-HUUCEWRRSA-N	1	0	317.430	-1.696	10	0		DAAERO
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCO)[C@@H]1C	ZINC000347147155	545715071	/nfs/dbraw/zinc/71/50/71/545715071.db2.gz	MGSYQPZTASNSAY-AHLTXXRQSA-N	1	0	313.398	-1.118	10	0		DAAERO
COC[C@@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCC[NH2+]1	ZINC000643623812	372796984	/nfs/dbraw/zinc/79/69/84/372796984.db2.gz	BWRAEFFIQDQPQX-GFCCVEGCSA-N	1	0	305.400	-1.141	10	0		DAAERO
CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1	ZINC000643637906	372799305	/nfs/dbraw/zinc/79/93/05/372799305.db2.gz	BTMWRJBIVOJDGU-MNOVXSKESA-N	1	0	305.400	-1.237	10	0		DAAERO
CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1	ZINC000643659847	372803343	/nfs/dbraw/zinc/80/33/43/372803343.db2.gz	ITVUGMJQSKOFGL-QWRGUYRKSA-N	1	0	305.400	-1.237	10	0		DAAERO
CO[C@@H]1O[C@H](C[NH3+])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000247846185	372853129	/nfs/dbraw/zinc/85/31/29/372853129.db2.gz	MWPYXTVIEWXASO-NAWOPXAZSA-N	1	0	318.326	-1.316	10	0		DAAERO
O=C(CCO)N1CCc2nnc([C@@H]3CC[N@@H+](CCO)C3)n2CC1	ZINC000257188413	372859475	/nfs/dbraw/zinc/85/94/75/372859475.db2.gz	FIPXOBVUTFMQRC-GFCCVEGCSA-N	1	0	323.397	-1.173	10	0		DAAERO
Cn1c(N)c(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)c(=O)n(C)c1=O	ZINC000178626909	372932537	/nfs/dbraw/zinc/93/25/37/372932537.db2.gz	USCUHVUEFHTZCZ-SNVBAGLBSA-N	1	0	321.381	-1.371	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C	ZINC000179507084	372934689	/nfs/dbraw/zinc/93/46/89/372934689.db2.gz	AIRKJGDJPHMWHI-NWDGAFQWSA-N	1	0	310.398	-1.029	10	0		DAAERO
CCN1CCN(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)C(=O)C1=O	ZINC000263236939	373144237	/nfs/dbraw/zinc/14/42/37/373144237.db2.gz	ODORLVXAGGCORU-JTQLQIEISA-N	1	0	322.369	-1.164	10	0		DAAERO
Cn1c2[nH]c(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)nc2c(=O)n(C)c1=O	ZINC000193655223	373319080	/nfs/dbraw/zinc/31/90/80/373319080.db2.gz	RWRKXEYYEXLFSW-AOOOYVTPSA-N	1	0	318.381	-1.046	10	0		DAAERO
C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000244420239	373321191	/nfs/dbraw/zinc/32/11/91/373321191.db2.gz	YTCYSINQSJQZOC-GHMZBOCLSA-N	1	0	317.411	-1.300	10	0		DAAERO
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262413261	373334524	/nfs/dbraw/zinc/33/45/24/373334524.db2.gz	ZJQRNINAWLYKJH-QWRGUYRKSA-N	1	0	324.381	-1.062	10	0		DAAERO
CC(=O)N[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1	ZINC000631913958	373438811	/nfs/dbraw/zinc/43/88/11/373438811.db2.gz	RHCRDLWDXIUTKJ-VXGBXAGGSA-N	1	0	305.400	-1.095	10	0		DAAERO
Cn1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc(=O)n(C)c1=O	ZINC000173927830	373738064	/nfs/dbraw/zinc/73/80/64/373738064.db2.gz	LFUOMRCYJTVCTF-LBPRGKRZSA-N	1	0	308.382	-1.010	10	0		DAAERO
Cn1c[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=S)c21	ZINC000022063765	182307858	/nfs/dbraw/zinc/30/78/58/182307858.db2.gz	RFHIWBUKNJIBSE-GAWUUDPSSA-O	1	0	314.347	-2.262	10	0		DAAERO
N=C1NC(=O)CN1CCNCC[NH2+]CCN1CC(=O)N=C1N	ZINC000022590257	182327565	/nfs/dbraw/zinc/32/75/65/182327565.db2.gz	IZEOSXUWGIMWDU-UHFFFAOYSA-N	1	0	310.362	-3.311	10	0		DAAERO
O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)N1CCNC(=O)C1	ZINC000105883458	194157362	/nfs/dbraw/zinc/15/73/62/194157362.db2.gz	LWDPEOZPRACDSH-GFCCVEGCSA-N	1	0	306.370	-1.052	10	0		DAAERO
CS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1	ZINC000062082601	184204976	/nfs/dbraw/zinc/20/49/76/184204976.db2.gz	AJTQHDWPONUDAK-JTQLQIEISA-N	1	0	311.429	-1.355	10	0		DAAERO
C[C@H](O)C[N@@H+]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C	ZINC000408110777	409370332	/nfs/dbraw/zinc/37/03/32/409370332.db2.gz	VGNICXBVKOFQDY-QWRGUYRKSA-N	1	0	307.416	-1.209	10	0		DAAERO
NS(=O)(=O)c1cnn(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000408095503	409371172	/nfs/dbraw/zinc/37/11/72/409371172.db2.gz	YTYGYAFIHYAIQY-SNVBAGLBSA-N	1	0	313.383	-1.163	10	0		DAAERO
C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	ZINC000408180855	409381228	/nfs/dbraw/zinc/38/12/28/409381228.db2.gz	WUKAKONUEMCCRZ-GHMZBOCLSA-N	1	0	305.400	-1.156	10	0		DAAERO
C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000111268807	409383911	/nfs/dbraw/zinc/38/39/11/409383911.db2.gz	DXWIAHXKAYHZSI-GHMZBOCLSA-N	1	0	304.416	-1.208	10	0		DAAERO
CS(=O)(=O)NCC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000408382810	409390594	/nfs/dbraw/zinc/39/05/94/409390594.db2.gz	SUQPUUIBYRVFRY-VHSXEESVSA-N	1	0	313.445	-1.014	10	0		DAAERO
COC[C@@]1(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCC[NH2+]1	ZINC000653203531	409340567	/nfs/dbraw/zinc/34/05/67/409340567.db2.gz	PTHGEEUCSOBNBA-CMPLNLGQSA-N	1	0	305.400	-1.095	10	0		DAAERO
CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1	ZINC000645397669	409427137	/nfs/dbraw/zinc/42/71/37/409427137.db2.gz	XOVZHMGQBJEKJB-VHSXEESVSA-N	1	0	308.379	-1.363	10	0		DAAERO
CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1	ZINC000262343400	262494496	/nfs/dbraw/zinc/49/44/96/262494496.db2.gz	TXFGOTGHENYLSS-ZYHUDNBSSA-N	1	0	313.379	-1.095	10	0		DAAERO
O=S1(=O)C[C@@H]([NH2+]CCC2(O)CC2)[C@H](N2CCOCC2)C1	ZINC000333054261	262520929	/nfs/dbraw/zinc/52/09/29/262520929.db2.gz	HLUSEBKIUHNLHZ-VXGBXAGGSA-N	1	0	304.412	-1.011	10	0		DAAERO
C[C@@H](CO)[N@@H+]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1	ZINC000369407771	263228482	/nfs/dbraw/zinc/22/84/82/263228482.db2.gz	IIVDEMRJPFYOGM-NSHDSACASA-N	1	0	312.370	-1.205	10	0		DAAERO
O=C(Cn1nnc2ccccc2c1=O)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262273269	263237284	/nfs/dbraw/zinc/23/72/84/263237284.db2.gz	NFNPXIIWAYDYHE-BXKDBHETSA-N	1	0	303.322	-1.512	10	0		DAAERO
CN1CCO[C@@H]2CCN(S(=O)(=O)N3CCOCC3)C[C@@H]21	ZINC000328849970	263246034	/nfs/dbraw/zinc/24/60/34/263246034.db2.gz	BJOYACNOYCOSEE-NWDGAFQWSA-N	1	0	305.400	-1.032	10	0		DAAERO
CCC1(CC)NC(=O)N(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)C1=O	ZINC000262274475	263248616	/nfs/dbraw/zinc/24/86/16/263248616.db2.gz	NGYKUDGOGKNWIY-NXEZZACHSA-N	1	0	312.370	-1.207	10	0		DAAERO
CS(=O)(=O)NCC[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000408046904	263256743	/nfs/dbraw/zinc/25/67/43/263256743.db2.gz	DVSISSZEDKRLCX-CYBMUJFWSA-N	1	0	319.427	-1.015	10	0		DAAERO
CNS(=O)(=O)c1csc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1	ZINC000262321328	263260277	/nfs/dbraw/zinc/26/02/77/263260277.db2.gz	RJPALMWOJWRNPM-IONNQARKSA-N	1	0	319.408	-1.034	10	0		DAAERO
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262206039	263266736	/nfs/dbraw/zinc/26/67/36/263266736.db2.gz	INCAEQSJOFAMFJ-YFKTTZPYSA-N	1	0	309.366	-1.142	10	0		DAAERO
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000373013545	263276061	/nfs/dbraw/zinc/27/60/61/263276061.db2.gz	LCCFLRZOKPJNSX-UVLXDEKHSA-N	1	0	313.398	-1.118	10	0		DAAERO
O=C(CN1CCN(c2ccccn2)CC1)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262376983	263288174	/nfs/dbraw/zinc/28/81/74/263288174.db2.gz	WSBBWONQPAYSIQ-ZIAGYGMSSA-N	1	0	319.409	-1.100	10	0		DAAERO
C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CN3CCN2CC3)CC1=O	ZINC000178972988	263299982	/nfs/dbraw/zinc/29/99/82/263299982.db2.gz	ORUMLBVBJHFDQC-ZIAGYGMSSA-N	1	0	323.441	-1.488	10	0		DAAERO
CS(=O)(=O)NCC[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000408046906	263310050	/nfs/dbraw/zinc/31/00/50/263310050.db2.gz	DVSISSZEDKRLCX-ZDUSSCGKSA-N	1	0	319.427	-1.015	10	0		DAAERO
O=C(CN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262078630	263315186	/nfs/dbraw/zinc/31/51/86/263315186.db2.gz	CHDCCHIIPCXHER-ZJUUUORDSA-N	1	0	310.354	-1.453	10	0		DAAERO
Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c2c(=O)[nH]n(C)c2n1	ZINC000262156349	263321827	/nfs/dbraw/zinc/32/18/27/263321827.db2.gz	IANUUGIJNAHNNA-PSASIEDQSA-N	1	0	305.338	-1.120	10	0		DAAERO
CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O	ZINC000408382808	263324246	/nfs/dbraw/zinc/32/42/46/263324246.db2.gz	SUQPUUIBYRVFRY-NXEZZACHSA-N	1	0	313.445	-1.014	10	0		DAAERO
C[C@H](CO)[N@@H+]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1	ZINC000369407770	263326269	/nfs/dbraw/zinc/32/62/69/263326269.db2.gz	IIVDEMRJPFYOGM-LLVKDONJSA-N	1	0	312.370	-1.205	10	0		DAAERO
Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])c(=O)n(C)c1=O	ZINC000038050054	279346520	/nfs/dbraw/zinc/34/65/20/279346520.db2.gz	MRMIGDPZWOKTFT-IUCAKERBSA-N	1	0	316.383	-1.368	10	0		DAAERO
Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+](C)C)C2)c1	ZINC000151261086	289381839	/nfs/dbraw/zinc/38/18/39/289381839.db2.gz	TZGKUULOEOAMLB-JTQLQIEISA-N	1	0	315.399	-1.139	10	0		DAAERO
[NH3+]CCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000584613132	337372599	/nfs/dbraw/zinc/37/25/99/337372599.db2.gz	DRRJZKOKUMEZCF-YBXAARCKSA-N	1	0	311.331	-3.205	10	0		DAAERO
C[NH+](C)C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)CCO1	ZINC000105923968	337386836	/nfs/dbraw/zinc/38/68/36/337386836.db2.gz	YYYLZJDLRGHMIY-CYBMUJFWSA-N	1	0	312.414	-1.013	10	0		DAAERO
CN(C)S(=O)(=O)CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000408042232	545671664	/nfs/dbraw/zinc/67/16/64/545671664.db2.gz	QQZGTSHSGHHYNX-MNOVXSKESA-N	1	0	305.400	-1.191	10	0		DAAERO
C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C	ZINC000408229535	545683593	/nfs/dbraw/zinc/68/35/93/545683593.db2.gz	SXGUSZKCOIRSFZ-CHWSQXEVSA-N	1	0	312.414	-1.326	10	0		DAAERO
COC(=O)CN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1	ZINC000408322763	545684660	/nfs/dbraw/zinc/68/46/60/545684660.db2.gz	WAWMOARAIXLHBU-CYBMUJFWSA-N	1	0	310.398	-1.307	10	0		DAAERO
CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1	ZINC000262282611	545798596	/nfs/dbraw/zinc/79/85/96/545798596.db2.gz	OALVDJCIJXTXCH-PWSUYJOCSA-N	1	0	313.379	-1.095	10	0		DAAERO
CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1	ZINC000262282601	545798731	/nfs/dbraw/zinc/79/87/31/545798731.db2.gz	OALVDJCIJXTXCH-CMPLNLGQSA-N	1	0	313.379	-1.095	10	0		DAAERO
CNS(=O)(=O)c1csc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1	ZINC000262321329	545798970	/nfs/dbraw/zinc/79/89/70/545798970.db2.gz	RJPALMWOJWRNPM-VXNVDRBHSA-N	1	0	319.408	-1.034	10	0		DAAERO
N=C1N2CCC(O)(O)[C@@]23NC(=[NH2+])N[C@H]3[C@H](COC(N)=O)N1O	ZINC000025723899	571740465	/nfs/dbraw/zinc/74/04/65/571740465.db2.gz	PPEKGEBBBBNZKS-HGRQIUPRSA-N	1	0	315.290	-3.541	10	0	endogenous,investigational	DAAERO
O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1C[C@@H](O)[C@H](n2ccnn2)C1	ZINC000898384469	662770662	/nfs/dbraw/zinc/77/06/62/662770662.db2.gz	SNVPXWKCADBBQK-JHJVBQTASA-N	1	0	307.354	-1.257	10	0		DAAERO
Cn1ncc2c1nnn(CN1CCO[C@H](C[NH+](C)C)C1)c2=O	ZINC000132662596	663961570	/nfs/dbraw/zinc/96/15/70/663961570.db2.gz	JRCFRWHGSNVZIH-SNVBAGLBSA-N	1	0	307.358	-1.255	10	0		DAAERO