smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)C[C@@H]1C[N@H+](CCn2cnnc2)C[C@@H]1O	ZINC001529125971	929826305	/nfs/dbraw/zinc/82/63/05/929826305.db2.gz	GFDNHFOFXYENGB-QWRGUYRKSA-N	1	0	303.388	-1.538	50	0		DAAARO
Cn1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(=O)[nH]c1=O	ZINC000223898193	282626221	/nfs/dbraw/zinc/62/62/21/282626221.db2.gz	ZXYUJEDVLMJUGM-QWRGUYRKSA-N	1	0	308.338	-1.333	50	0		DAAARO
Cn1ncc(N2CCO[C@@H](CCNC(=O)C3([NH3+])CC3)C2)cc1=O	ZINC000072147002	191053119	/nfs/dbraw/zinc/05/31/19/191053119.db2.gz	CGQRCOCSXZRKLX-LBPRGKRZSA-N	1	0	321.381	-1.017	50	0		DAAARO
Cn1ncc(N2CCO[C@H](CCNC(=O)C3([NH3+])CC3)C2)cc1=O	ZINC000072147001	191053241	/nfs/dbraw/zinc/05/32/41/191053241.db2.gz	CGQRCOCSXZRKLX-GFCCVEGCSA-N	1	0	321.381	-1.017	50	0		DAAARO
Cc1cn(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(=O)[nH]c1=O	ZINC000072161136	191062078	/nfs/dbraw/zinc/06/20/78/191062078.db2.gz	BNABKGSOXZYUEA-OAHLLOKOSA-N	1	0	324.381	-1.240	50	0		DAAARO
Nc1nc2c(c(N[C@@H]3CS(=O)(=O)C[C@H]3O)n1)CC[NH2+]CC2	ZINC000072408900	191154366	/nfs/dbraw/zinc/15/43/66/191154366.db2.gz	FBECULXUSAMZHT-NXEZZACHSA-N	1	0	313.383	-1.683	50	0		DAAARO
Cc1nonc1CC(=O)N1C[C@H](O)[C@@H]([NH+]2CCC(O)CC2)C1	ZINC000072423324	191158345	/nfs/dbraw/zinc/15/83/45/191158345.db2.gz	ATXOVUTYYLXQDF-STQMWFEESA-N	1	0	310.354	-1.051	50	0		DAAARO
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1SC[C@@H](O)C[NH3+]	ZINC000004027791	181064461	/nfs/dbraw/zinc/06/44/61/181064461.db2.gz	SZAGVDILPFHNPM-FHMMKVKMSA-N	1	0	310.372	-3.017	50	0	biogenic	DAAARO
CC[C@@H](C[NH2+]CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000004336892	181099578	/nfs/dbraw/zinc/09/95/78/181099578.db2.gz	PFCKVALBOLBBTQ-VIFPVBQESA-N	1	0	324.385	-1.257	50	0		DAAARO
NC(=O)c1cnn2c1NC[C@H](C[NH2+][C@H]1CCS(=O)(=O)C1)C2	ZINC000075134490	283391567	/nfs/dbraw/zinc/39/15/67/283391567.db2.gz	AFUHCGCHSPMSPL-IUCAKERBSA-N	1	0	313.383	-1.200	50	0		DAAARO
CS(=O)(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC2CCOCC2)C1	ZINC000065396594	372821885	/nfs/dbraw/zinc/82/18/85/372821885.db2.gz	CMMUYWLCSPHYLA-ZWNOBZJWSA-N	1	0	317.411	-1.237	50	0		DAAARO
CC(=O)N1CCN([C@H]2C[N@@H+](CCS(N)(=O)=O)C[C@H]2C)CC1	ZINC000078896027	372797829	/nfs/dbraw/zinc/79/78/29/372797829.db2.gz	LKZZBECWXRXPFX-YPMHNXCESA-N	1	0	318.443	-1.241	50	0		DAAARO
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1cc(C)c(=O)[nH]c1=O	ZINC000067886367	372826299	/nfs/dbraw/zinc/82/62/99/372826299.db2.gz	MEAWUMALJFMSDJ-UWVGGRQHSA-N	1	0	323.353	-2.091	50	0		DAAARO
CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000083987525	372813283	/nfs/dbraw/zinc/81/32/83/372813283.db2.gz	BQBAPYQVRUDBAU-VXGBXAGGSA-N	1	0	319.427	-1.017	50	0		DAAARO
O=C(c1cnn2cc(CCO)cnc12)N1CC[NH2+]C[C@@H](O)C1	ZINC000097528005	372846579	/nfs/dbraw/zinc/84/65/79/372846579.db2.gz	ZSQCTKLLSOAGJZ-LLVKDONJSA-N	1	0	305.338	-1.330	50	0		DAAARO
O=C(c1cncc(N2CC[NH2+]C[C@@H](O)C2)n1)N1CCOCC1	ZINC000097729449	372848256	/nfs/dbraw/zinc/84/82/56/372848256.db2.gz	ZONTYUWLVPAIGQ-LLVKDONJSA-N	1	0	307.354	-1.281	50	0		DAAARO
NC(=O)c1ccc(CN2CC[N@@H+](C(CO)CO)C[C@H](O)C2)cc1	ZINC000097797419	372849597	/nfs/dbraw/zinc/84/95/97/372849597.db2.gz	RWMIAMRUFSGKEM-OAHLLOKOSA-N	1	0	323.393	-1.383	50	0		DAAARO
O=C(CN1CCNCC1=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000238082825	372867714	/nfs/dbraw/zinc/86/77/14/372867714.db2.gz	YRBMWRQRYNHLJI-AWEZNQCLSA-N	1	0	324.425	-1.011	50	0		DAAARO
C[C@@H](O)CN1CCN(C(=O)CN2CCCS2(=O)=O)CC1	ZINC000084638264	372893561	/nfs/dbraw/zinc/89/35/61/372893561.db2.gz	DQOGTJQAHSVTAJ-LLVKDONJSA-N	1	0	305.400	-1.453	50	0		DAAARO
O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1	ZINC000223863337	373087481	/nfs/dbraw/zinc/08/74/81/373087481.db2.gz	CQCUQRZQSNSNIC-RYUDHWBXSA-N	1	0	322.365	-1.094	50	0		DAAARO
CCOCC(=O)N[C@@H]1CN(S(C)(=O)=O)C[C@H]1C[NH+](C)C	ZINC000169781290	373389606	/nfs/dbraw/zinc/38/96/06/373389606.db2.gz	GZLXCIOJCALEDA-GHMZBOCLSA-N	1	0	307.416	-1.039	50	0		DAAARO
C[C@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000076058243	373440256	/nfs/dbraw/zinc/44/02/56/373440256.db2.gz	VTEAYDYKYVETHO-IUCAKERBSA-N	1	0	316.383	-1.688	50	0		DAAARO
C[C@@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000107058906	373634595	/nfs/dbraw/zinc/63/45/95/373634595.db2.gz	VTEAYDYKYVETHO-RKDXNWHRSA-N	1	0	316.383	-1.688	50	0		DAAARO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O	ZINC000069509707	373733641	/nfs/dbraw/zinc/73/36/41/373733641.db2.gz	FTDUCYHPZORBEG-GFCCVEGCSA-N	1	0	324.381	-1.226	50	0		DAAARO
Cc1nn(C)c(C)c1NC(=O)C(=O)NCCN1CC[NH2+]CC1	ZINC000040267014	183049918	/nfs/dbraw/zinc/04/99/18/183049918.db2.gz	XEWNASULKJEYBA-UHFFFAOYSA-N	1	0	308.386	-1.003	50	0		DAAARO
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1c(C)nc(N)nc1C	ZINC000067434874	184466823	/nfs/dbraw/zinc/46/68/23/184466823.db2.gz	ZTZZGYFLGYRFST-ONGXEEELSA-N	1	0	306.370	-1.108	50	0		DAAARO
C[C@H]1CN(S(=O)(=O)NCCN2CC[NH2+]CC2)[C@@H](C)CO1	ZINC000237691901	257238551	/nfs/dbraw/zinc/23/85/51/257238551.db2.gz	NXHFMZMCQKIFLO-RYUDHWBXSA-N	1	0	306.432	-1.165	50	0		DAAARO
Cn1cc([C@@]2(C)CN(C(=O)CN3CCNCC3=O)CCO2)cn1	ZINC000237709479	257238871	/nfs/dbraw/zinc/23/88/71/257238871.db2.gz	AOKNYSXHKRICAL-OAHLLOKOSA-N	1	0	321.381	-1.074	50	0		DAAARO
CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cn1	ZINC000568749476	545807825	/nfs/dbraw/zinc/80/78/25/545807825.db2.gz	XRCCPAVGIPKSNP-JTQLQIEISA-N	1	0	316.383	-1.358	50	0		DAAARO
COc1ccnc(N2CCN(C[C@]3(O)C[NH2+]CCOC3)CC2)n1	ZINC000077455566	409333721	/nfs/dbraw/zinc/33/37/21/409333721.db2.gz	MNZMDRGCPZSWDZ-OAHLLOKOSA-N	1	0	323.397	-1.042	50	0		DAAARO
CN(CCO)Cc1nnc(C2CCN(C(=O)C[NH3+])CC2)n1C	ZINC000077300257	409335428	/nfs/dbraw/zinc/33/54/28/409335428.db2.gz	ATELAKBVIZEQQA-UHFFFAOYSA-N	1	0	310.402	-1.096	50	0		DAAARO
CC1=NN(CC(N)=O)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1	ZINC000005147970	409342837	/nfs/dbraw/zinc/34/28/37/409342837.db2.gz	MJFUBVGJHUVIER-UHFFFAOYSA-N	1	0	305.298	-1.885	50	0		DAAARO
CN1CC(=O)N(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1=O	ZINC000434450684	409576560	/nfs/dbraw/zinc/57/65/60/409576560.db2.gz	RYQXCRAAQFWLAQ-LLVKDONJSA-N	1	0	312.370	-1.157	50	0		DAAARO
C[C@@H](O)Cn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C	ZINC000007425775	274274466	/nfs/dbraw/zinc/27/44/66/274274466.db2.gz	FRDJXDIQBBHSQP-MRVPVSSYSA-N	1	0	310.358	-1.222	50	0		DAAARO
C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000156627429	522053230	/nfs/dbraw/zinc/05/32/30/522053230.db2.gz	XCODPEHEAOPKNU-VIFPVBQESA-N	1	0	316.383	-1.544	50	0		DAAARO
C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000083927526	545705097	/nfs/dbraw/zinc/70/50/97/545705097.db2.gz	FESLUSVKJVCOTR-SRVKXCTJSA-N	1	0	319.427	-1.018	50	0		DAAARO
CC(=O)N1CCN(CCCS(=O)(=O)N(C)C)C[C@@H](O)C1	ZINC000670452549	545833419	/nfs/dbraw/zinc/83/34/19/545833419.db2.gz	GKSPPNMWROBMGL-GFCCVEGCSA-N	1	0	307.416	-1.207	50	0		DAAARO
CN(CC(=O)NCCN(C)S(C)(=O)=O)C1CC[NH2+]CC1	ZINC000823666866	776200407	/nfs/dbraw/zinc/20/04/07/776200407.db2.gz	DBZPNQQOIHIAEP-UHFFFAOYSA-N	1	0	306.432	-1.322	50	0		DAAARO
CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)CC1	ZINC000072267921	191090748	/nfs/dbraw/zinc/09/07/48/191090748.db2.gz	OUMAYMMMCYOQRP-TZMCWYRMSA-N	1	0	312.414	-1.014	50	0		DAAARO
[NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)Cn3cnnn3)CC[C@H]21	ZINC000072479527	191179644	/nfs/dbraw/zinc/17/96/44/191179644.db2.gz	POHDBDBEJCYAFU-NWDGAFQWSA-N	1	0	321.385	-1.139	50	0		DAAARO
CCOCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000004316579	181096694	/nfs/dbraw/zinc/09/66/94/181096694.db2.gz	PAGJBFBDQRDLPU-UHFFFAOYSA-N	1	0	322.369	-1.131	50	0		DAAARO
Cn1c2nc(N3CC[NH2+]CC3)n(CC(N)=O)c2c(=O)[nH]c1=O	ZINC000006161088	181317279	/nfs/dbraw/zinc/31/72/79/181317279.db2.gz	DAUCXVQQMYXRQD-UHFFFAOYSA-N	1	0	307.314	-2.682	50	0		DAAARO
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1	ZINC000091390957	193049513	/nfs/dbraw/zinc/04/95/13/193049513.db2.gz	BAIMUUWLASBSSY-GHMZBOCLSA-N	1	0	324.381	-1.457	50	0		DAAARO
CN1CC[C@]2(CN(C(=O)Cn3ncnn3)CC[N@@H+]2C)CCC1=O	ZINC000091951406	193131186	/nfs/dbraw/zinc/13/11/86/193131186.db2.gz	VRXBYZLLECNLQJ-AWEZNQCLSA-N	1	0	321.385	-1.172	50	0		DAAARO
Cn1c2ncn(CC(=[NH2+])N3CCOCC3)c2c(=O)n(C)c1=O	ZINC000000091387	372759140	/nfs/dbraw/zinc/75/91/40/372759140.db2.gz	CCGDULDZIADYET-UHFFFAOYSA-N	1	0	306.326	-1.257	50	0		DAAARO
Cn1c2nc(N3CCOCC3)n(CC[NH3+])c2c(=O)n(C)c1=O	ZINC000000089660	372759409	/nfs/dbraw/zinc/75/94/09/372759409.db2.gz	BLKNOIKVXCGDQK-UHFFFAOYSA-N	1	0	308.342	-1.771	50	0		DAAARO
Cn1c2ncn(CC(=O)NCCC[NH+](C)C)c2c(=O)n(C)c1=O	ZINC000002063415	372761960	/nfs/dbraw/zinc/76/19/60/372761960.db2.gz	IJQVBLGOXGPMMZ-UHFFFAOYSA-N	1	0	322.369	-1.498	50	0		DAAARO
Cn1c2nc(N3CCOCC3)n(CCC[NH3+])c2c(=O)n(C)c1=O	ZINC000006974228	372769377	/nfs/dbraw/zinc/76/93/77/372769377.db2.gz	YWTAKNWMTUDZOZ-UHFFFAOYSA-N	1	0	322.369	-1.381	50	0	biogenic	DAAARO
O=C(Cn1cnnc1)N1CC[N@@H+](C2CCOCC2)C[C@H](O)C1	ZINC000097785632	372777476	/nfs/dbraw/zinc/77/74/76/372777476.db2.gz	XPJFWKIXTAQCEB-ZDUSSCGKSA-N	1	0	309.370	-1.038	50	0		DAAARO
CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000083987528	372813982	/nfs/dbraw/zinc/81/39/82/372813982.db2.gz	BQBAPYQVRUDBAU-NWDGAFQWSA-N	1	0	319.427	-1.017	50	0		DAAARO
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)c1cn(C)cn1	ZINC000067726872	372826405	/nfs/dbraw/zinc/82/64/05/372826405.db2.gz	IJMSRGLBBLKXIF-IUCAKERBSA-N	1	0	301.372	-1.354	50	0		DAAARO
CCSC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1	ZINC000067820544	372826597	/nfs/dbraw/zinc/82/65/97/372826597.db2.gz	JPJBVHQORHSGEN-GUBZILKMSA-N	1	0	314.411	-1.376	50	0		DAAARO
Nc1nnnn1CC(=O)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1	ZINC000097572326	372847025	/nfs/dbraw/zinc/84/70/25/372847025.db2.gz	IYCQFEDDRVJGKE-SNVBAGLBSA-N	1	0	309.374	-1.534	50	0		DAAARO
COCCn1nc(C(=O)N2CCNC(=O)C2)c2c1CC[NH2+]C2	ZINC000257178580	372856159	/nfs/dbraw/zinc/85/61/59/372856159.db2.gz	BXCDQUXQYPOYIT-UHFFFAOYSA-N	1	0	307.354	-1.253	50	0		DAAARO
C[C@H](O)CN1CCN(C(=O)CN2CCCS2(=O)=O)CC1	ZINC000084638263	372894580	/nfs/dbraw/zinc/89/45/80/372894580.db2.gz	DQOGTJQAHSVTAJ-NSHDSACASA-N	1	0	305.400	-1.453	50	0		DAAARO
Cn1c2ncn(C[C@H](O)CO)c2c(=O)n(CC[NH+](C)C)c1=O	ZINC000001321569	373248805	/nfs/dbraw/zinc/24/88/05/373248805.db2.gz	OKWMTFYIQTVMIC-VIFPVBQESA-N	1	0	311.342	-2.189	50	0	biogenic	DAAARO
C[C@@H]1C[N@H+](C)C[C@@H]1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000076058236	373438711	/nfs/dbraw/zinc/43/87/11/373438711.db2.gz	VTEAYDYKYVETHO-BDAKNGLRSA-N	1	0	316.383	-1.688	50	0		DAAARO
Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)CN1CCOCC1)CC2	ZINC000076064386	373439026	/nfs/dbraw/zinc/43/90/26/373439026.db2.gz	LCGTUWZSAWMBKQ-ZDUSSCGKSA-N	1	0	308.382	-1.169	50	0		DAAARO
C[C@@H](C(=O)NC(N)=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000069622383	373732251	/nfs/dbraw/zinc/73/22/51/373732251.db2.gz	WSBDLGBEYPRELQ-NSHDSACASA-N	1	0	311.386	-1.190	50	0		DAAARO
C[N@@H+]1CCN2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@@H]2C1	ZINC000065375432	184331317	/nfs/dbraw/zinc/33/13/17/184331317.db2.gz	ONWFWOABPMMROP-LBPRGKRZSA-N	1	0	321.381	-1.615	50	0		DAAARO
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)c1cn(C)cn1	ZINC000067473541	184469480	/nfs/dbraw/zinc/46/94/80/184469480.db2.gz	IJMSRGLBBLKXIF-BDAKNGLRSA-N	1	0	301.372	-1.354	50	0		DAAARO
C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	ZINC000107351344	409377607	/nfs/dbraw/zinc/37/76/07/409377607.db2.gz	FESLUSVKJVCOTR-QJPTWQEYSA-N	1	0	319.427	-1.018	50	0		DAAARO
Cn1ccnc1CN1CCN(C[C@]2(O)C[NH2+]CCOC2)CC1	ZINC000077385869	409334446	/nfs/dbraw/zinc/33/44/46/409334446.db2.gz	KIMAABLKQDBCRU-OAHLLOKOSA-N	1	0	309.414	-1.111	50	0		DAAARO
O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cnc(N2CCOCC2)nc1	ZINC000077485563	409334620	/nfs/dbraw/zinc/33/46/20/409334620.db2.gz	GRTIMZGOOAVMRO-VXGBXAGGSA-N	1	0	307.354	-1.234	50	0		DAAARO
CN1CC(=O)N(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1=O	ZINC000434450685	409574013	/nfs/dbraw/zinc/57/40/13/409574013.db2.gz	RYQXCRAAQFWLAQ-NSHDSACASA-N	1	0	312.370	-1.157	50	0		DAAARO
C[C@H](O)Cn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C	ZINC000007425773	274541179	/nfs/dbraw/zinc/54/11/79/274541179.db2.gz	FRDJXDIQBBHSQP-QMMMGPOBSA-N	1	0	310.358	-1.222	50	0		DAAARO
Cc1c(C(=O)N2CC[NH2+]CC2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000237758242	278586374	/nfs/dbraw/zinc/58/63/74/278586374.db2.gz	PITYHSQLDIALCG-UHFFFAOYSA-N	1	0	317.349	-1.014	50	0		DAAARO
CS(=O)(=O)NCC(=O)NCCC[N@@H+]1CCCC[C@@H]1CO	ZINC000828710809	776214385	/nfs/dbraw/zinc/21/43/85/776214385.db2.gz	ISXLAQHQSTXJDN-LLVKDONJSA-N	1	0	307.416	-1.111	50	0		DAAARO
CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C2	ZINC000072150697	191056097	/nfs/dbraw/zinc/05/60/97/191056097.db2.gz	GRVRGOBSKHRARC-SCZZXKLOSA-N	1	0	307.354	-1.557	50	0		DAAARO
CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)CC1	ZINC000072267923	191091782	/nfs/dbraw/zinc/09/17/82/191091782.db2.gz	OUMAYMMMCYOQRP-OCCSQVGLSA-N	1	0	312.414	-1.014	50	0		DAAARO
OCCN1CCOCCOCC[N@H+](CCO)CCOCC1	ZINC000003895792	181053747	/nfs/dbraw/zinc/05/37/47/181053747.db2.gz	QMZSCQQFTKVCSQ-UHFFFAOYSA-N	1	0	306.403	-1.362	50	0		DAAARO
Nc1nnnn1CC(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1	ZINC000299759064	283702779	/nfs/dbraw/zinc/70/27/79/283702779.db2.gz	MZKATRXHZYHWHH-NSHDSACASA-N	1	0	309.374	-1.031	50	0		DAAARO
NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1	ZINC000091755579	193102175	/nfs/dbraw/zinc/10/21/75/193102175.db2.gz	WUFZJRHTMMMIDJ-SNVBAGLBSA-N	1	0	323.353	-2.081	50	0		DAAARO
C[N@H+](CCO)C[C@@H]1CN(C(=O)Cc2cnc[nH]c2=O)C[C@@H]1CO	ZINC000091973692	193133993	/nfs/dbraw/zinc/13/39/93/193133993.db2.gz	VIPURHVNTXSDLL-CHWSQXEVSA-N	1	0	324.381	-1.697	50	0		DAAARO
Cn1c2ncn(C[C@H](O)C[N@H+](C)CCO)c2c(=O)n(C)c1=O	ZINC000000000843	372759069	/nfs/dbraw/zinc/75/90/69/372759069.db2.gz	DSFGXPJYDCSWTA-SECBINFHSA-N	1	0	311.342	-2.281	50	0	world	DAAARO
CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(=O)n(C)c(=O)n1C	ZINC000584903377	372762509	/nfs/dbraw/zinc/76/25/09/372762509.db2.gz	IFXHQWCHWIIXFG-ONGXEEELSA-N	1	0	310.354	-1.467	50	0		DAAARO
O=C(c1cnn2cc(CCO)cnc12)N1CC[NH2+]C[C@H](O)C1	ZINC000097528004	372846719	/nfs/dbraw/zinc/84/67/19/372846719.db2.gz	ZSQCTKLLSOAGJZ-NSHDSACASA-N	1	0	305.338	-1.330	50	0		DAAARO
NC(=O)COCC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H](O)C1	ZINC000097732650	372847637	/nfs/dbraw/zinc/84/76/37/372847637.db2.gz	UHPSNNNZHRAWFO-GFCCVEGCSA-N	1	0	308.338	-1.407	50	0		DAAARO
CC(=O)N1CCN(c2c(=O)c(=O)c2NCC[NH2+]CCO)CC1	ZINC000101702905	373281517	/nfs/dbraw/zinc/28/15/17/373281517.db2.gz	XJTDSSYOZODQPZ-UHFFFAOYSA-N	1	0	310.354	-2.055	50	0		DAAARO
COCC(=O)NC[C@H]1CCN(S(C)(=O)=O)C[C@H]1[NH+](C)C	ZINC000169788906	373388059	/nfs/dbraw/zinc/38/80/59/373388059.db2.gz	XFQLHFJWNGAPPC-GHMZBOCLSA-N	1	0	307.416	-1.039	50	0		DAAARO
Cn1[nH+]c(N)c2cn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000028521073	373676755	/nfs/dbraw/zinc/67/67/55/373676755.db2.gz	HOGVTUZUJGHKPL-CUCYUNINSA-N	1	0	320.309	-1.488	50	0		DAAARO
Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH3+]	ZINC000020281568	182203058	/nfs/dbraw/zinc/20/30/58/182203058.db2.gz	KZBNVXBIDOKTSV-UHFFFAOYSA-N	1	0	316.383	-1.266	50	0		DAAARO
Cn1c2ncn(CCN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O	ZINC000022027480	182304242	/nfs/dbraw/zinc/30/42/42/182304242.db2.gz	MENYHECIGXKGQJ-UHFFFAOYSA-N	1	0	306.370	-1.319	50	0	biogenic	DAAARO
C[C@@H]1CN(S(=O)(=O)NCCN2CC[NH2+]CC2)[C@@H](C)CO1	ZINC000237523937	257238455	/nfs/dbraw/zinc/23/84/55/257238455.db2.gz	NXHFMZMCQKIFLO-NWDGAFQWSA-N	1	0	306.432	-1.165	50	0		DAAARO
N=C1NC(=O)C2(CCN(C(=O)C[N@H+]3CCC[C@@H](O)C3)CC2)N1	ZINC000670473764	545832761	/nfs/dbraw/zinc/83/27/61/545832761.db2.gz	KDOQRLKKMMGBAR-SNVBAGLBSA-N	1	0	309.370	-1.542	50	0		DAAARO
CS(=O)(=O)NCCC(=O)NCC[N@@H+]1CCCC[C@H]1CO	ZINC000670436138	545833571	/nfs/dbraw/zinc/83/35/71/545833571.db2.gz	XIVJSOUYCYONRZ-NSHDSACASA-N	1	0	307.416	-1.111	50	0		DAAARO
CC(=O)N1CCN(CCCS(=O)(=O)N(C)C)C[C@H](O)C1	ZINC000670452550	545833607	/nfs/dbraw/zinc/83/36/07/545833607.db2.gz	GKSPPNMWROBMGL-LBPRGKRZSA-N	1	0	307.416	-1.207	50	0		DAAARO
C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1	ZINC000107351341	409376000	/nfs/dbraw/zinc/37/60/00/409376000.db2.gz	FESLUSVKJVCOTR-SDDRHHMPSA-N	1	0	319.427	-1.018	50	0		DAAARO
Cc1nc2c(c(=O)[nH]1)CCN(C[C@]1(O)C[NH2+]CCOC1)CC2	ZINC000077471504	409335597	/nfs/dbraw/zinc/33/55/97/409335597.db2.gz	FGKVGKXNRSJKCZ-OAHLLOKOSA-N	1	0	308.382	-1.170	50	0		DAAARO
CN1CC[NH+](C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2CO)CC1	ZINC000091755969	409337757	/nfs/dbraw/zinc/33/77/57/409337757.db2.gz	DBXCIRSKMPSHHD-CHWSQXEVSA-N	1	0	323.401	-2.013	50	0		DAAARO
C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000053203109	277295030	/nfs/dbraw/zinc/29/50/30/277295030.db2.gz	YTWHHEJQLWEKJC-SECBINFHSA-N	1	0	316.383	-1.544	50	0		DAAARO
[NH3+]C[C@@H](CC[C@H]([NH3+])C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000005113887	303391315	/nfs/dbraw/zinc/39/13/15/303391315.db2.gz	OWGKYELXGFKIHH-UTTCWKRISA-N	1	0	324.330	-3.678	50	0	in-vitro	DAAARO
Cn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c(=O)n(C)c1=O	ZINC000048907863	334301022	/nfs/dbraw/zinc/30/10/22/334301022.db2.gz	WNZDXYIZMDVLHA-MRVPVSSYSA-N	1	0	302.356	-1.934	50	0		DAAARO
Cn1c(=O)[nH]cc(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1=O	ZINC000077285050	545654650	/nfs/dbraw/zinc/65/46/50/545654650.db2.gz	SKJWGKNBRJQZNL-CQSZACIVSA-N	1	0	310.354	-1.859	50	0		DAAARO
C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000083927524	545705732	/nfs/dbraw/zinc/70/57/32/545705732.db2.gz	FESLUSVKJVCOTR-TUAOUCFPSA-N	1	0	319.427	-1.018	50	0		DAAARO
O=C1CNCCN1[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1	ZINC000864094143	663928511	/nfs/dbraw/zinc/92/85/11/663928511.db2.gz	HRQOKUKJWDXFIJ-JTQLQIEISA-N	1	0	302.400	-1.816	50	0		DAAARO
CS(=O)(=O)NCC(=O)NCCC[N@@H+]1CCCC[C@H]1CO	ZINC000828710810	776215584	/nfs/dbraw/zinc/21/55/84/776215584.db2.gz	ISXLAQHQSTXJDN-NSHDSACASA-N	1	0	307.416	-1.111	50	0		DAAARO
[NH3+]CC(=O)N1CCN(Cc2ccccn2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000072427345	191161330	/nfs/dbraw/zinc/16/13/30/191161330.db2.gz	CEJHMFWJYOFDPI-OLZOCXBDSA-N	1	0	324.406	-1.150	50	0		DAAARO
Cn1c2nc(N3CC[NH2+]CC3)n(CC(N)=O)c2c(=O)n(C)c1=O	ZINC000000287536	180748135	/nfs/dbraw/zinc/74/81/35/180748135.db2.gz	RYUPHQCQIQIGSI-UHFFFAOYSA-N	1	0	321.341	-2.671	50	0		DAAARO
NC(=O)c1cnn2c1NC[C@@H](C[NH2+][C@H]1CCS(=O)(=O)C1)C2	ZINC000075134489	283391413	/nfs/dbraw/zinc/39/14/13/283391413.db2.gz	AFUHCGCHSPMSPL-BDAKNGLRSA-N	1	0	313.383	-1.200	50	0		DAAARO
O=C(CN1CC(=O)NC1=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1	ZINC000091664191	193086541	/nfs/dbraw/zinc/08/65/41/193086541.db2.gz	XQVYWFSBKMPNGF-VXGBXAGGSA-N	1	0	324.381	-1.299	50	0		DAAARO
O=S(=O)(N1CCOCC1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1	ZINC000091951101	193131400	/nfs/dbraw/zinc/13/14/00/193131400.db2.gz	OUTPNZCLYQEPCH-RYUDHWBXSA-N	1	0	305.400	-1.390	50	0		DAAARO
CN(CC(=O)N1CC[NH+](CC(C)(C)O)CC1)S(C)(=O)=O	ZINC000069841096	372782390	/nfs/dbraw/zinc/78/23/90/372782390.db2.gz	VIRHCXJWKOJCDT-UHFFFAOYSA-N	1	0	307.416	-1.207	50	0		DAAARO
CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCOCC1	ZINC000067676440	372824187	/nfs/dbraw/zinc/82/41/87/372824187.db2.gz	MCVFKNNCNJTXKD-QWRGUYRKSA-N	1	0	312.370	-1.702	50	0		DAAARO
CC(=O)N1CCN([C@H]2C[N@@H+](CCS(N)(=O)=O)C[C@@H]2C)CC1	ZINC000078896031	372797759	/nfs/dbraw/zinc/79/77/59/372797759.db2.gz	LKZZBECWXRXPFX-AAEUAGOBSA-N	1	0	318.443	-1.241	50	0		DAAARO
Cn1c(=O)cc(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)n(C)c1=O	ZINC000097604305	372847141	/nfs/dbraw/zinc/84/71/41/372847141.db2.gz	WTEQRJZIXBUAQH-LLVKDONJSA-N	1	0	324.381	-1.482	50	0		DAAARO
Cn1c(=O)cc(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)n(C)c1=O	ZINC000097604304	372847891	/nfs/dbraw/zinc/84/78/91/372847891.db2.gz	WTEQRJZIXBUAQH-NSHDSACASA-N	1	0	324.381	-1.482	50	0		DAAARO
Cn1c(=O)cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)n(C)c1=O	ZINC000220259177	373074996	/nfs/dbraw/zinc/07/49/96/373074996.db2.gz	UGDXMYHWFJLLRZ-GHORINQJSA-N	1	0	322.365	-1.469	50	0		DAAARO
Cn1c2ncn(C[C@@H](O)CO)c2c(=O)n(CC[NH+](C)C)c1=O	ZINC000001321570	373249878	/nfs/dbraw/zinc/24/98/78/373249878.db2.gz	OKWMTFYIQTVMIC-SECBINFHSA-N	1	0	311.342	-2.189	50	0	biogenic	DAAARO
Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)CN1CCOCC1)CC2	ZINC000076064383	373440382	/nfs/dbraw/zinc/44/03/82/373440382.db2.gz	LCGTUWZSAWMBKQ-CYBMUJFWSA-N	1	0	308.382	-1.169	50	0		DAAARO
CN(CC(=O)N1CCN(C[C@H](O)C[NH+](C)C)CC1)C(N)=O	ZINC000584887349	373630908	/nfs/dbraw/zinc/63/09/08/373630908.db2.gz	HUJPMEQUDQWHPQ-LLVKDONJSA-N	1	0	301.391	-1.936	50	0		DAAARO
OCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000004006659	373693495	/nfs/dbraw/zinc/69/34/95/373693495.db2.gz	GECYRADSXYZERF-UHFFFAOYSA-N	1	0	310.358	-1.051	50	0		DAAARO
CC(=O)N1CCN(C(=O)CN2CCO[C@H](C[NH+](C)C)C2)CC1	ZINC000069814746	373736119	/nfs/dbraw/zinc/73/61/19/373736119.db2.gz	AZXFUGCMMWOSQW-CQSZACIVSA-N	1	0	312.414	-1.061	50	0		DAAARO
COCC(=O)NC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000040540214	183097444	/nfs/dbraw/zinc/09/74/44/183097444.db2.gz	HMQLTXQYJCMZAC-UHFFFAOYSA-N	1	0	324.381	-1.189	50	0		DAAARO
NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)c1	ZINC000426667313	257244156	/nfs/dbraw/zinc/24/41/56/257244156.db2.gz	FGILBMKNWZFXKJ-GHMZBOCLSA-N	1	0	317.342	-1.074	50	0		DAAARO
C[NH+]1CCN(c2nc3c(N)ncn(C[C@H](O)CO)c-3n2)CC1	ZINC000003684630	257267350	/nfs/dbraw/zinc/26/73/50/257267350.db2.gz	LDFUJXBXOYDNGL-VIFPVBQESA-N	1	0	307.358	-1.535	50	0		DAAARO
O=C(Cn1cnnn1)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000048325719	409382187	/nfs/dbraw/zinc/38/21/87/409382187.db2.gz	IRKNRSXHLNXVBN-ZDUSSCGKSA-N	1	0	323.401	-1.557	50	0		DAAARO
Cn1ncc(N2CCN(C[C@]3(O)C[NH2+]CCOC3)CC2)cc1=O	ZINC000077452840	409333591	/nfs/dbraw/zinc/33/35/91/409333591.db2.gz	UNBBYRWOFACDJH-OAHLLOKOSA-N	1	0	323.397	-1.747	50	0		DAAARO
COc1ccnc(N2CCN(C[C@@]3(O)C[NH2+]CCOC3)CC2)n1	ZINC000077455571	409334101	/nfs/dbraw/zinc/33/41/01/409334101.db2.gz	MNZMDRGCPZSWDZ-HNNXBMFYSA-N	1	0	323.397	-1.042	50	0		DAAARO
O[C@@]1(CNCc2nc(-c3cnccn3)n[nH]2)C[NH2+]CCOC1	ZINC000077304050	409334384	/nfs/dbraw/zinc/33/43/84/409334384.db2.gz	WTEBCEAHCRJFOH-CYBMUJFWSA-N	1	0	305.342	-1.298	50	0		DAAARO
Cn1ncc(N2CCN(C[C@@]3(O)C[NH2+]CCOC3)CC2)cc1=O	ZINC000077452842	409335029	/nfs/dbraw/zinc/33/50/29/409335029.db2.gz	UNBBYRWOFACDJH-HNNXBMFYSA-N	1	0	323.397	-1.747	50	0		DAAARO
CC(C)(O)C[NH+]1CCN(C(=O)CN2CCCS2(=O)=O)CC1	ZINC000071881836	409680731	/nfs/dbraw/zinc/68/07/31/409680731.db2.gz	DNYHOYMGONRDNF-UHFFFAOYSA-N	1	0	319.427	-1.063	50	0		DAAARO
CC(C)(O)C[NH+]1CCN(C(=O)CCNS(C)(=O)=O)CC1	ZINC000071881847	409682521	/nfs/dbraw/zinc/68/25/21/409682521.db2.gz	YQUJKLBDMUHYCE-UHFFFAOYSA-N	1	0	307.416	-1.159	50	0		DAAARO
C[C@@H](O)Cn1c(NCC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004370890	274274212	/nfs/dbraw/zinc/27/42/12/274274212.db2.gz	MVVMMEMJSSQNEN-SECBINFHSA-N	1	0	324.385	-1.212	50	0		DAAARO
Cc1nc2c(c(=O)[nH]1)CCN(C[C@@]1(O)C[NH2+]CCOC1)CC2	ZINC000077471505	293399726	/nfs/dbraw/zinc/39/97/26/293399726.db2.gz	FGKVGKXNRSJKCZ-HNNXBMFYSA-N	1	0	308.382	-1.170	50	0		DAAARO
O=C(CN1CCNCC1=O)N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000238083161	295507136	/nfs/dbraw/zinc/50/71/36/295507136.db2.gz	YRBMWRQRYNHLJI-CQSZACIVSA-N	1	0	324.425	-1.011	50	0		DAAARO
NC(=O)COCC(=O)N1CCN(c2cc[nH+]cc2)C[C@H](O)C1	ZINC000097732652	303252015	/nfs/dbraw/zinc/25/20/15/303252015.db2.gz	UHPSNNNZHRAWFO-LBPRGKRZSA-N	1	0	308.338	-1.407	50	0		DAAARO
NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1	ZINC000534591679	334294465	/nfs/dbraw/zinc/29/44/65/334294465.db2.gz	NWTZEMIRXYGWEE-NXEZZACHSA-N	1	0	300.340	-1.212	50	0		DAAARO
COCC(=O)N1CCN([C@@H]2CCN(CC[NH+](C)C)C2=O)CC1	ZINC000169793245	663197697	/nfs/dbraw/zinc/19/76/97/663197697.db2.gz	ZAXGDWXENUTYRD-CYBMUJFWSA-N	1	0	312.414	-1.061	50	0		DAAARO
COCC(=O)N1CCN([C@H]2CCN(CC[NH+](C)C)C2=O)CC1	ZINC000169793246	663197734	/nfs/dbraw/zinc/19/77/34/663197734.db2.gz	ZAXGDWXENUTYRD-ZDUSSCGKSA-N	1	0	312.414	-1.061	50	0		DAAARO
O=C1CNCCN1[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1	ZINC000864094144	663928361	/nfs/dbraw/zinc/92/83/61/663928361.db2.gz	HRQOKUKJWDXFIJ-SNVBAGLBSA-N	1	0	302.400	-1.816	50	0		DAAARO
COC[C@H]1CCCN1S(=O)(=O)NCCN1CC[NH2+]CC1	ZINC000824370927	776205872	/nfs/dbraw/zinc/20/58/72/776205872.db2.gz	BQNYAOWZVBQUPL-GFCCVEGCSA-N	1	0	306.432	-1.163	50	0		DAAARO
Cc1[nH][nH]c(=O)c1CC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2	ZINC000072169987	191068721	/nfs/dbraw/zinc/06/87/21/191068721.db2.gz	HBBJKULLZWYQJZ-AWEZNQCLSA-N	1	0	310.354	-1.229	50	0		DAAARO
[NH3+]C[C@H](CC[C@H]([NH3+])C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096825	181072748	/nfs/dbraw/zinc/07/27/48/181072748.db2.gz	OWGKYELXGFKIHH-YNULLNPISA-N	1	0	324.330	-3.678	50	0	in-vitro	DAAARO
O[C@]1(CNCc2nc(-c3cnccn3)n[nH]2)C[NH2+]CCOC1	ZINC000077304053	191689348	/nfs/dbraw/zinc/68/93/48/191689348.db2.gz	WTEBCEAHCRJFOH-ZDUSSCGKSA-N	1	0	305.342	-1.298	50	0		DAAARO
NC(=O)c1cnn2c1NC[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)C2	ZINC000075134484	283391582	/nfs/dbraw/zinc/39/15/82/283391582.db2.gz	AFUHCGCHSPMSPL-RKDXNWHRSA-N	1	0	313.383	-1.200	50	0		DAAARO
Cn1c2ncn(C[C@@H](O)C[N@H+](C)CCO)c2c(=O)n(C)c1=O	ZINC000006507052	181347613	/nfs/dbraw/zinc/34/76/13/181347613.db2.gz	DSFGXPJYDCSWTA-VIFPVBQESA-N	1	0	311.342	-2.281	50	0	world	DAAARO
[NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cn1cnnn1)CC2	ZINC000091518823	193068187	/nfs/dbraw/zinc/06/81/87/193068187.db2.gz	YWSGTDZHQRIPJF-MNOVXSKESA-N	1	0	310.358	-1.610	50	0		DAAARO
NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1	ZINC000091755582	193102125	/nfs/dbraw/zinc/10/21/25/193102125.db2.gz	WUFZJRHTMMMIDJ-JTQLQIEISA-N	1	0	323.353	-2.081	50	0		DAAARO
Cn1c2ncn(C[C@@H](O)C[NH+]3CCCC3)c2c(=O)n(C)c1=O	ZINC000000164087	372760359	/nfs/dbraw/zinc/76/03/59/372760359.db2.gz	RYLZSSCIDKBMID-JTQLQIEISA-N	1	0	307.354	-1.110	50	0		DAAARO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000012408296	372777672	/nfs/dbraw/zinc/77/76/72/372777672.db2.gz	IKYAMEFFSYOMCL-QMMMGPOBSA-N	1	0	309.326	-1.398	50	0		DAAARO
CC(C)(O)C[NH+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1	ZINC000072269920	372786239	/nfs/dbraw/zinc/78/62/39/372786239.db2.gz	PASMBFOUMHLZRQ-UHFFFAOYSA-N	1	0	324.381	-1.158	50	0		DAAARO
O=C(c1cncc(N2CC[NH2+]C[C@H](O)C2)n1)N1CCOCC1	ZINC000097729448	372845977	/nfs/dbraw/zinc/84/59/77/372845977.db2.gz	ZONTYUWLVPAIGQ-NSHDSACASA-N	1	0	307.354	-1.281	50	0		DAAARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCn1ccc(=O)[nH]c1=O	ZINC000219939968	373074240	/nfs/dbraw/zinc/07/42/40/373074240.db2.gz	LECZSZBVMZYUPO-GJQVQUKXSA-N	1	0	322.365	-1.240	50	0		DAAARO
Nc1nnnn1CC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1	ZINC000223041507	373084813	/nfs/dbraw/zinc/08/48/13/373084813.db2.gz	HKYDZIUYFPUFTD-UHFFFAOYSA-N	1	0	309.374	-1.295	50	0		DAAARO
C[NH+](C)C1(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)CCOCC1	ZINC000222634581	373085839	/nfs/dbraw/zinc/08/58/39/373085839.db2.gz	TUGAETDQVGQMQN-UHFFFAOYSA-N	1	0	310.354	-1.167	50	0		DAAARO
CN(C)C(=O)NCC(=O)N1CCC(=O)N(CC[NH+](C)C)CC1	ZINC000584888995	373631046	/nfs/dbraw/zinc/63/10/46/373631046.db2.gz	ODBVIWMQXCKFDX-UHFFFAOYSA-N	1	0	313.402	-1.120	50	0		DAAARO
C[C@H](C(=O)NC(N)=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1	ZINC000069622389	373732367	/nfs/dbraw/zinc/73/23/67/373732367.db2.gz	WSBDLGBEYPRELQ-LLVKDONJSA-N	1	0	311.386	-1.190	50	0		DAAARO
COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O	ZINC000069509700	373733372	/nfs/dbraw/zinc/73/33/72/373733372.db2.gz	FTDUCYHPZORBEG-LBPRGKRZSA-N	1	0	324.381	-1.226	50	0		DAAARO
CN1C(=O)C[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O	ZINC000019938707	182168136	/nfs/dbraw/zinc/16/81/36/182168136.db2.gz	TVKQBGAVGUFCJI-GFCCVEGCSA-N	1	0	308.382	-1.016	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CS(C)(=O)=O	ZINC000067819043	284532571	/nfs/dbraw/zinc/53/25/71/284532571.db2.gz	WAMYXCDJZLTCGG-ZJUUUORDSA-N	1	0	305.400	-1.172	50	0		DAAARO
C[NH+](C)C[C@@H](O)CN1CCN(C(=O)c2cncc(=O)[nH]2)CC1	ZINC000670450783	545833560	/nfs/dbraw/zinc/83/35/60/545833560.db2.gz	KVLOYAVAFLIMRU-LLVKDONJSA-N	1	0	309.370	-1.550	50	0		DAAARO
C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)NCCN1CC[NH2+]CC1	ZINC000408525457	297159364	/nfs/dbraw/zinc/15/93/64/297159364.db2.gz	NXHFMZMCQKIFLO-NEPJUHHUSA-N	1	0	306.432	-1.165	50	0		DAAARO
COCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004810186	409321410	/nfs/dbraw/zinc/32/14/10/409321410.db2.gz	GWOGRVGEURYSPA-UHFFFAOYSA-N	1	0	322.369	-1.510	50	0		DAAARO
CN(CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)S(C)(=O)=O	ZINC000107351299	409375880	/nfs/dbraw/zinc/37/58/80/409375880.db2.gz	HTNJVEOELMTDMK-VXGBXAGGSA-N	1	0	319.427	-1.065	50	0		DAAARO
O=C(Cn1cnnn1)NC[C@H]1CC[N@H+](CCN2CCOCC2)C1	ZINC000048325720	409383738	/nfs/dbraw/zinc/38/37/38/409383738.db2.gz	IRKNRSXHLNXVBN-CYBMUJFWSA-N	1	0	323.401	-1.557	50	0		DAAARO
Cc1[nH][nH]c(=O)c1CC(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2	ZINC000072169986	409331164	/nfs/dbraw/zinc/33/11/64/409331164.db2.gz	HBBJKULLZWYQJZ-CQSZACIVSA-N	1	0	310.354	-1.229	50	0		DAAARO
Cn1ncc(N2CCC(CNC(=O)[C@@H]([NH3+])CCO)CC2)cc1=O	ZINC000077471711	409334655	/nfs/dbraw/zinc/33/46/55/409334655.db2.gz	LXRPKLJKALDUIT-ZDUSSCGKSA-N	1	0	323.397	-1.177	50	0		DAAARO
Cn1ccnc1CN1CCN(C[C@@]2(O)C[NH2+]CCOC2)CC1	ZINC000077385872	409335508	/nfs/dbraw/zinc/33/55/08/409335508.db2.gz	KIMAABLKQDBCRU-HNNXBMFYSA-N	1	0	309.414	-1.111	50	0		DAAARO
NC(=O)c1cnn2c1NC[C@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)C2	ZINC000075134486	409496338	/nfs/dbraw/zinc/49/63/38/409496338.db2.gz	AFUHCGCHSPMSPL-DTWKUNHWSA-N	1	0	313.383	-1.200	50	0		DAAARO
O=C([C@H]1C=CC[NH2+]1)N1CCN(S(=O)(=O)N2CCCC2)CC1	ZINC000534585027	334291502	/nfs/dbraw/zinc/29/15/02/334291502.db2.gz	HAWNWLYASZTCAC-GFCCVEGCSA-N	1	0	314.411	-1.001	50	0		DAAARO
Cn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c(=O)n(C)c1=O	ZINC000048907866	334301108	/nfs/dbraw/zinc/30/11/08/334301108.db2.gz	WNZDXYIZMDVLHA-QMMMGPOBSA-N	1	0	302.356	-1.934	50	0		DAAARO
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn(CC[NH3+])nn1)CC2	ZINC000077302838	518192884	/nfs/dbraw/zinc/19/28/84/518192884.db2.gz	XCWVPQRLVPLHAU-UHFFFAOYSA-N	1	0	317.353	-1.130	50	0		DAAARO
[NH3+][C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1	ZINC000237854838	527411068	/nfs/dbraw/zinc/41/10/68/527411068.db2.gz	FIZIOCCWKGLZGM-ZETCQYMHSA-N	1	0	310.335	-1.062	50	0		DAAARO
CC[NH+]1CCN(CC(=O)NCCN(C)S(C)(=O)=O)CC1	ZINC000952971203	664113930	/nfs/dbraw/zinc/11/39/30/664113930.db2.gz	RVEUHHQWFUKNCK-UHFFFAOYSA-N	1	0	306.432	-1.369	50	0		DAAARO
Cc1nncn1CC[N@@H+]1C[C@H](O)[C@H](CS(=O)(=O)N(C)C)C1	ZINC001529159998	929826173	/nfs/dbraw/zinc/82/61/73/929826173.db2.gz	VRAVWFMSKRNYOR-RYUDHWBXSA-N	1	0	317.415	-1.229	50	0		DAAARO
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1SC[C@H](O)C[NH3+]	ZINC000004027790	181064320	/nfs/dbraw/zinc/06/43/20/181064320.db2.gz	SZAGVDILPFHNPM-VRGHXPGPSA-N	1	0	310.372	-3.017	50	0	biogenic	DAAARO
Cn1c(Cn2cncn2)nnc1C1CC[NH+](C(CO)CO)CC1	ZINC000091645339	193084314	/nfs/dbraw/zinc/08/43/14/193084314.db2.gz	MEZSOCMWGZVVOO-UHFFFAOYSA-N	1	0	321.385	-1.013	50	0		DAAARO
[NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cn1cnnc1)CC2	ZINC000092002173	193139125	/nfs/dbraw/zinc/13/91/25/193139125.db2.gz	YHZJOFMLSNHROP-NEPJUHHUSA-N	1	0	309.370	-1.005	50	0		DAAARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000012408295	372777825	/nfs/dbraw/zinc/77/78/25/372777825.db2.gz	IKYAMEFFSYOMCL-MRVPVSSYSA-N	1	0	309.326	-1.398	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1nnnc1C	ZINC000067726281	372826038	/nfs/dbraw/zinc/82/60/38/372826038.db2.gz	WXJOYWKWNSALCM-MNOVXSKESA-N	1	0	309.374	-1.222	50	0		DAAARO
C[NH+]1CCC(O)(C(=O)N[C@@H]2COCC[C@@H]2OCCO)CC1	ZINC000219935469	373074104	/nfs/dbraw/zinc/07/41/04/373074104.db2.gz	HHTATPCLYQZANC-NEPJUHHUSA-N	1	0	302.371	-1.274	50	0		DAAARO
Cn1c(=O)[nH]cc(CCNC(=O)CN2CC[C@H]([NH+](C)C)C2)c1=O	ZINC000244633604	373131557	/nfs/dbraw/zinc/13/15/57/373131557.db2.gz	GFTVSVTWBOPRQP-LBPRGKRZSA-N	1	0	323.397	-1.220	50	0		DAAARO
Cn1c(=O)[nH]cc(CCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)c1=O	ZINC000244633603	373131589	/nfs/dbraw/zinc/13/15/89/373131589.db2.gz	GFTVSVTWBOPRQP-GFCCVEGCSA-N	1	0	323.397	-1.220	50	0		DAAARO
CS(=O)(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1	ZINC000055183271	373648373	/nfs/dbraw/zinc/64/83/73/373648373.db2.gz	ZTQUAHBHAHNJMH-SECBINFHSA-N	1	0	306.388	-2.151	50	0		DAAARO
CC(=O)N1CCN(C(=O)CN2CCO[C@@H](C[NH+](C)C)C2)CC1	ZINC000069814749	373735744	/nfs/dbraw/zinc/73/57/44/373735744.db2.gz	AZXFUGCMMWOSQW-AWEZNQCLSA-N	1	0	312.414	-1.061	50	0		DAAARO
CN1CC[NH+](CCCN2CN=C(NS(C)(=O)=O)NC2)CC1	ZINC000040387276	183059924	/nfs/dbraw/zinc/05/99/24/183059924.db2.gz	TZBVUTJVZVLEOT-UHFFFAOYSA-N	1	0	318.447	-1.651	50	0		DAAARO
O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1c[nH]nc1-n1cnnn1	ZINC000222586030	257274551	/nfs/dbraw/zinc/27/45/51/257274551.db2.gz	MKKXOYUUOQWHRJ-QWRGUYRKSA-N	1	0	318.341	-1.022	50	0		DAAARO
C[NH+](C)C[C@H](O)CN1CCN(c2cncc(C(N)=O)n2)CC1	ZINC000670469953	545833536	/nfs/dbraw/zinc/83/35/36/545833536.db2.gz	AIJYLNMFYPWXKG-NSHDSACASA-N	1	0	308.386	-1.380	50	0		DAAARO
[NH3+]CCn1cc(C(=O)NCCS(=O)(=O)N2CCCC2)nn1	ZINC000077537443	409333125	/nfs/dbraw/zinc/33/31/25/409333125.db2.gz	LZNXUOSBRAONOV-UHFFFAOYSA-N	1	0	316.387	-1.608	50	0		DAAARO
CNC(=O)c1noc2c1CN(C[C@]1(O)C[NH2+]CCOC1)CC2	ZINC000077392397	277019488	/nfs/dbraw/zinc/01/94/88/277019488.db2.gz	OJTJBTFTOICXKM-CQSZACIVSA-N	1	0	310.354	-1.257	50	0		DAAARO
[NH3+]CC(=O)N1CCN(Cc2ccncc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000072431535	303366677	/nfs/dbraw/zinc/36/66/77/303366677.db2.gz	UDHSVLQRHHNLJH-OLZOCXBDSA-N	1	0	324.406	-1.150	50	0		DAAARO
O=C([C@@H]1C=CC[NH2+]1)N1CCN(S(=O)(=O)N2CCCC2)CC1	ZINC000534585028	334291616	/nfs/dbraw/zinc/29/16/16/334291616.db2.gz	HAWNWLYASZTCAC-LBPRGKRZSA-N	1	0	314.411	-1.001	50	0		DAAARO
CC[NH+]1CCN(CC(=O)NC[C@H]2CN(C(C)=O)CCO2)CC1	ZINC000952977374	664113823	/nfs/dbraw/zinc/11/38/23/664113823.db2.gz	VIUWBCCOHFWIHB-AWEZNQCLSA-N	1	0	312.414	-1.013	50	0		DAAARO
CC[NH+]1CCN(CC(=O)NC[C@@H]2CN(C(C)=O)CCO2)CC1	ZINC000952977375	664114102	/nfs/dbraw/zinc/11/41/02/664114102.db2.gz	VIUWBCCOHFWIHB-CQSZACIVSA-N	1	0	312.414	-1.013	50	0		DAAARO
O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(Cc2nc[nH]n2)CC1	ZINC000828627422	776212834	/nfs/dbraw/zinc/21/28/34/776212834.db2.gz	UFGQERFSOPWOQD-LBPRGKRZSA-N	1	0	308.386	-1.094	50	0		DAAARO
O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(Cc2nc[nH]n2)CC1	ZINC000828627421	776213611	/nfs/dbraw/zinc/21/36/11/776213611.db2.gz	UFGQERFSOPWOQD-GFCCVEGCSA-N	1	0	308.386	-1.094	50	0		DAAARO
Cn1c(CCN2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000082517422	185189318	/nfs/dbraw/zinc/18/93/18/185189318.db2.gz	QYIXUBVTFNIAHN-UHFFFAOYSA-N	1	0	306.370	-1.582	50	0		DAAARO
CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C[C@H]2CN(C)CCO2)CC1	ZINC000072267922	191090957	/nfs/dbraw/zinc/09/09/57/191090957.db2.gz	OUMAYMMMCYOQRP-JSGCOSHPSA-N	1	0	312.414	-1.014	50	0		DAAARO
CC(=O)OCCN(C)[N+](O)=NOCO[N-][N+](=O)N1CCCC1	ZINC000334163320	545690353	/nfs/dbraw/zinc/69/03/53/545690353.db2.gz	ONYYNLMGTWLHGN-UHFFFAOYSA-N	1	0	322.322	-1.205	50	0		DAAARO
Cn1c2ncn(C[C@H](O)C[NH+]3CCCC3)c2c(=O)n(C)c1=O	ZINC000000164082	180712075	/nfs/dbraw/zinc/71/20/75/180712075.db2.gz	RYLZSSCIDKBMID-SNVBAGLBSA-N	1	0	307.354	-1.110	50	0		DAAARO
Cn1[nH+]c(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000003808299	181046260	/nfs/dbraw/zinc/04/62/60/181046260.db2.gz	HOGVTUZUJGHKPL-HTVVRFAVSA-N	1	0	320.309	-1.488	50	0	investigational	DAAARO
Cn1c(=O)[nH]cc(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1=O	ZINC000077285045	191685402	/nfs/dbraw/zinc/68/54/02/191685402.db2.gz	SKJWGKNBRJQZNL-AWEZNQCLSA-N	1	0	310.354	-1.859	50	0		DAAARO
CCNC(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1	ZINC000091416946	193053363	/nfs/dbraw/zinc/05/33/63/193053363.db2.gz	PNNHMJCGDOXDMG-LBPRGKRZSA-N	1	0	308.386	-1.440	50	0		DAAARO
CN(C)CC[N@H+](C)C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1CO	ZINC000091694268	193093257	/nfs/dbraw/zinc/09/32/57/193093257.db2.gz	KVTRHMTXIBTLKW-VXGBXAGGSA-N	1	0	310.402	-1.021	50	0		DAAARO
[NH3+][C@H]1CN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C[C@@H]1C1CC1	ZINC000091746834	193101335	/nfs/dbraw/zinc/10/13/35/193101335.db2.gz	QJOWNQFJGCGVIT-SFYZADRCSA-N	1	0	300.340	-1.579	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000067605085	372823253	/nfs/dbraw/zinc/82/32/53/372823253.db2.gz	FHEGLYQLZVBJFV-SCZZXKLOSA-N	1	0	323.353	-1.114	50	0		DAAARO
CCN1CCN(S(=O)(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC)CC1	ZINC000067954581	372825786	/nfs/dbraw/zinc/82/57/86/372825786.db2.gz	POYSJWGVXIYBAM-MNOVXSKESA-N	1	0	319.431	-1.984	50	0		DAAARO
CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	ZINC000083987520	372814577	/nfs/dbraw/zinc/81/45/77/372814577.db2.gz	BQBAPYQVRUDBAU-NEPJUHHUSA-N	1	0	319.427	-1.017	50	0		DAAARO
CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCCS(=O)(=O)N1CCCC1	ZINC000067856854	372826379	/nfs/dbraw/zinc/82/63/79/372826379.db2.gz	RJPZMYBLWLVTNU-QWRGUYRKSA-N	1	0	304.416	-1.440	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1nnnc1C	ZINC000067726993	372827261	/nfs/dbraw/zinc/82/72/61/372827261.db2.gz	WXJOYWKWNSALCM-QWRGUYRKSA-N	1	0	309.374	-1.222	50	0		DAAARO
C[NH+](C)CCNC(=O)c1nc(CC(=O)N2CCOCC2)no1	ZINC000044922079	373235969	/nfs/dbraw/zinc/23/59/69/373235969.db2.gz	SGJGNXBDALOZDI-UHFFFAOYSA-N	1	0	311.342	-1.238	50	0		DAAARO
CC(=O)N1CCN([C@@H]2C[N@@H+](CCS(N)(=O)=O)C[C@@H]2C)CC1	ZINC000229828577	373265244	/nfs/dbraw/zinc/26/52/44/373265244.db2.gz	LKZZBECWXRXPFX-WCQYABFASA-N	1	0	318.443	-1.241	50	0		DAAARO
O=C(NCC[NH2+]CCO)C(=O)Nc1cccc(-n2cnnc2)c1	ZINC000049546925	373281278	/nfs/dbraw/zinc/28/12/78/373281278.db2.gz	COUAZOSUNXPEKT-UHFFFAOYSA-N	1	0	318.337	-1.096	50	0		DAAARO
CN(CC(=O)N1CCN(C[C@@H](O)C[NH+](C)C)CC1)C(N)=O	ZINC000584887350	373630960	/nfs/dbraw/zinc/63/09/60/373630960.db2.gz	HUJPMEQUDQWHPQ-NSHDSACASA-N	1	0	301.391	-1.936	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CS(C)(=O)=O	ZINC000067673987	284532277	/nfs/dbraw/zinc/53/22/77/284532277.db2.gz	WAMYXCDJZLTCGG-UWVGGRQHSA-N	1	0	305.400	-1.172	50	0		DAAARO
C[NH2+]CCCNC(=O)c1nc(CC(=O)N2CCOCC2)no1	ZINC000040284653	183050404	/nfs/dbraw/zinc/05/04/04/183050404.db2.gz	TVNUQBKHJDHUJV-UHFFFAOYSA-N	1	0	311.342	-1.190	50	0		DAAARO
CC(C)[NH+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1	ZINC000040501396	183083784	/nfs/dbraw/zinc/08/37/84/183083784.db2.gz	ORDWPABRROBUPW-UHFFFAOYSA-N	1	0	323.397	-1.125	50	0		DAAARO
C[C@@H]1CN(S(=O)(=O)NCCN2CC[NH2+]CC2)[C@H](C)CO1	ZINC000408525458	257254983	/nfs/dbraw/zinc/25/49/83/257254983.db2.gz	NXHFMZMCQKIFLO-VXGBXAGGSA-N	1	0	306.432	-1.165	50	0		DAAARO
CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cn1	ZINC000568749481	545808089	/nfs/dbraw/zinc/80/80/89/545808089.db2.gz	XRCCPAVGIPKSNP-SNVBAGLBSA-N	1	0	316.383	-1.358	50	0		DAAARO
CS(=O)(=O)NCCC(=O)NCC[N@@H+]1CCCC[C@@H]1CO	ZINC000670436137	545833035	/nfs/dbraw/zinc/83/30/35/545833035.db2.gz	XIVJSOUYCYONRZ-LLVKDONJSA-N	1	0	307.416	-1.111	50	0		DAAARO
O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CC[NH2+]C[C@H]1O	ZINC000077356416	409333531	/nfs/dbraw/zinc/33/35/31/409333531.db2.gz	MRMPKSVNQFLXGD-CHWSQXEVSA-N	1	0	320.397	-1.562	50	0		DAAARO
CN1CC[NH+](C[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]2CO)CC1	ZINC000091645232	290046388	/nfs/dbraw/zinc/04/63/88/290046388.db2.gz	ZIMYRQVLWSXHIY-CHWSQXEVSA-N	1	0	324.425	-1.434	50	0		DAAARO
Nc1nnnn1CC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1	ZINC000299759040	295375932	/nfs/dbraw/zinc/37/59/32/295375932.db2.gz	MZKATRXHZYHWHH-LLVKDONJSA-N	1	0	309.374	-1.031	50	0		DAAARO
[NH3+]CC(=O)N1CCN(Cc2cccnc2)[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077287616	303366587	/nfs/dbraw/zinc/36/65/87/303366587.db2.gz	SKHNWODLBYHRNY-OLZOCXBDSA-N	1	0	324.406	-1.150	50	0		DAAARO
NS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c1	ZINC000534581071	334289266	/nfs/dbraw/zinc/28/92/66/334289266.db2.gz	YMSXFYYFFFKUNM-NXEZZACHSA-N	1	0	303.315	-1.464	50	0		DAAARO
O=C(CN1C(=O)CNC1=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1	ZINC000534647294	334316308	/nfs/dbraw/zinc/31/63/08/334316308.db2.gz	BKKPYQKGQXZRGP-QWRGUYRKSA-N	1	0	310.354	-1.092	50	0		DAAARO
C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000156627568	522088288	/nfs/dbraw/zinc/08/82/88/522088288.db2.gz	XCODPEHEAOPKNU-SECBINFHSA-N	1	0	316.383	-1.544	50	0		DAAARO
C[C@H](O)Cn1c(NCC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004370889	545642491	/nfs/dbraw/zinc/64/24/91/545642491.db2.gz	MVVMMEMJSSQNEN-VIFPVBQESA-N	1	0	324.385	-1.212	50	0		DAAARO
C[N@H+](CCO)C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1CO	ZINC000091695375	664199351	/nfs/dbraw/zinc/19/93/51/664199351.db2.gz	WPSUPIOFEJOPAZ-CHWSQXEVSA-N	1	0	313.398	-1.400	50	0		DAAARO
COC(=O)N(C)CCN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1	ZINC000721809145	664612720	/nfs/dbraw/zinc/61/27/20/664612720.db2.gz	XDVWDWYCCYLFGW-JTQLQIEISA-N	1	0	309.388	-1.065	50	0		DAAARO
CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)N1CCN(Cc2nc[nH]n2)CC1	ZINC000824504689	776205188	/nfs/dbraw/zinc/20/51/88/776205188.db2.gz	CMHJFUQVTHOGQA-RYUDHWBXSA-N	1	0	323.401	-1.039	50	0		DAAARO
COC[C@@H]1CCCN1S(=O)(=O)NCCN1CC[NH2+]CC1	ZINC000824370929	776206246	/nfs/dbraw/zinc/20/62/46/776206246.db2.gz	BQNYAOWZVBQUPL-LBPRGKRZSA-N	1	0	306.432	-1.163	50	0		DAAARO
Cc1cn(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(=O)[nH]c1=O	ZINC000072161135	191062670	/nfs/dbraw/zinc/06/26/70/191062670.db2.gz	BNABKGSOXZYUEA-HNNXBMFYSA-N	1	0	324.381	-1.240	50	0		DAAARO
CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)CC1	ZINC000072267920	191091308	/nfs/dbraw/zinc/09/13/08/191091308.db2.gz	OUMAYMMMCYOQRP-GXTWGEPZSA-N	1	0	312.414	-1.014	50	0		DAAARO
CN(CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)S(C)(=O)=O	ZINC000083857472	545704255	/nfs/dbraw/zinc/70/42/55/545704255.db2.gz	HTNJVEOELMTDMK-NEPJUHHUSA-N	1	0	319.427	-1.065	50	0		DAAARO
CC[C@H](C[NH2+]CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C	ZINC000004336893	181099103	/nfs/dbraw/zinc/09/91/03/181099103.db2.gz	PFCKVALBOLBBTQ-SECBINFHSA-N	1	0	324.385	-1.257	50	0		DAAARO
CN1CC[C@@]2(CN(C(=O)Cn3ncnn3)CC[N@@H+]2C)CCC1=O	ZINC000091951407	193130536	/nfs/dbraw/zinc/13/05/36/193130536.db2.gz	VRXBYZLLECNLQJ-CQSZACIVSA-N	1	0	321.385	-1.172	50	0		DAAARO
C[NH+]1CCN(c2nc3c(N)ncn(C[C@@H](O)CO)c-3n2)CC1	ZINC000001198032	372759317	/nfs/dbraw/zinc/75/93/17/372759317.db2.gz	LDFUJXBXOYDNGL-SECBINFHSA-N	1	0	307.358	-1.535	50	0		DAAARO
CN1C(=O)C[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O	ZINC000000036436	372759699	/nfs/dbraw/zinc/75/96/99/372759699.db2.gz	TVKQBGAVGUFCJI-LBPRGKRZSA-N	1	0	308.382	-1.016	50	0		DAAARO
O=C(Cn1cnnc1)N1CC[N@@H+](C2CCOCC2)C[C@@H](O)C1	ZINC000097785633	372777073	/nfs/dbraw/zinc/77/70/73/372777073.db2.gz	XPJFWKIXTAQCEB-CYBMUJFWSA-N	1	0	309.370	-1.038	50	0		DAAARO
[NH3+][C@H]1CN[C@H](C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1	ZINC000067675282	372825012	/nfs/dbraw/zinc/82/50/12/372825012.db2.gz	FEAJPQUKHDKJME-KGLIPLIRSA-N	1	0	323.441	-1.168	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1nnnc1N	ZINC000067689061	372826851	/nfs/dbraw/zinc/82/68/51/372826851.db2.gz	HTSTYWQPKBINRR-BDAKNGLRSA-N	1	0	310.362	-1.948	50	0		DAAARO
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1	ZINC000067956105	372825998	/nfs/dbraw/zinc/82/59/98/372825998.db2.gz	FHEGLYQLZVBJFV-WPRPVWTQSA-N	1	0	323.353	-1.114	50	0		DAAARO
CS(=O)(=O)NCCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1	ZINC000083987523	372815285	/nfs/dbraw/zinc/81/52/85/372815285.db2.gz	BQBAPYQVRUDBAU-RYUDHWBXSA-N	1	0	319.427	-1.017	50	0		DAAARO
CCNC(=O)CN1CCN(c2cc(C)[nH+]c(N)n2)C[C@H](O)C1	ZINC000097514248	372846368	/nfs/dbraw/zinc/84/63/68/372846368.db2.gz	GMKMHPYWSLGFIL-LLVKDONJSA-N	1	0	308.386	-1.014	50	0		DAAARO
Nc1nnnn1CC(=O)N1CCC2(CC[NH2+]C[C@H]2CO)CC1	ZINC000097572327	372846505	/nfs/dbraw/zinc/84/65/05/372846505.db2.gz	IYCQFEDDRVJGKE-JTQLQIEISA-N	1	0	309.374	-1.534	50	0		DAAARO
CC[NH+](CC)CCCNC(=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O	ZINC000012321383	373068797	/nfs/dbraw/zinc/06/87/97/373068797.db2.gz	UIBFYDMFLYXBQD-UHFFFAOYSA-N	1	0	311.342	-1.150	50	0		DAAARO
[NH3+][C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1	ZINC000122726997	373462060	/nfs/dbraw/zinc/46/20/60/373462060.db2.gz	FIZIOCCWKGLZGM-SSDOTTSWSA-N	1	0	310.335	-1.062	50	0		DAAARO
CS(=O)(=O)NCCNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1	ZINC000055183272	373649006	/nfs/dbraw/zinc/64/90/06/373649006.db2.gz	ZTQUAHBHAHNJMH-VIFPVBQESA-N	1	0	306.388	-2.151	50	0		DAAARO
Cn1c(=O)c2c(n(C)c1=O)NCN(CCN1CC[NH2+]CC1)C2	ZINC000019831957	182155023	/nfs/dbraw/zinc/15/50/23/182155023.db2.gz	PERKQRIVWKEKQF-UHFFFAOYSA-N	1	0	308.386	-1.826	50	0		DAAARO
CS(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	ZINC000040528289	183093573	/nfs/dbraw/zinc/09/35/73/183093573.db2.gz	ULNLCWUJDHIUJI-UHFFFAOYSA-N	1	0	319.427	-1.206	50	0		DAAARO
COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2ncc[nH]2)C1	ZINC000065387932	184334025	/nfs/dbraw/zinc/33/40/25/184334025.db2.gz	ZUJYDEHYEIXJTF-QMTHXVAHSA-N	1	0	307.354	-1.280	50	0		DAAARO
Cn1cc([C@]2(C)CN(C(=O)CN3CCNCC3=O)CCO2)cn1	ZINC000237713036	257238917	/nfs/dbraw/zinc/23/89/17/257238917.db2.gz	AOKNYSXHKRICAL-HNNXBMFYSA-N	1	0	321.381	-1.074	50	0		DAAARO
N=C1NC(=O)C2(CCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2)N1	ZINC000670473763	545832987	/nfs/dbraw/zinc/83/29/87/545832987.db2.gz	KDOQRLKKMMGBAR-JTQLQIEISA-N	1	0	309.370	-1.542	50	0		DAAARO
C[NH+](C)C[C@@H](O)CN1CCN(c2cncc(C(N)=O)n2)CC1	ZINC000670469952	545833622	/nfs/dbraw/zinc/83/36/22/545833622.db2.gz	AIJYLNMFYPWXKG-LLVKDONJSA-N	1	0	308.386	-1.380	50	0		DAAARO
CN(CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)S(C)(=O)=O	ZINC000107351295	409377864	/nfs/dbraw/zinc/37/78/64/409377864.db2.gz	HTNJVEOELMTDMK-NWDGAFQWSA-N	1	0	319.427	-1.065	50	0		DAAARO
CNC(=O)c1noc2c1CN(C[C@@]1(O)C[NH2+]CCOC1)CC2	ZINC000077392398	409335235	/nfs/dbraw/zinc/33/52/35/409335235.db2.gz	OJTJBTFTOICXKM-AWEZNQCLSA-N	1	0	310.354	-1.257	50	0		DAAARO
C[N@@H+]1CCN2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@H]2C1	ZINC000253531246	409537614	/nfs/dbraw/zinc/53/76/14/409537614.db2.gz	ONWFWOABPMMROP-GFCCVEGCSA-N	1	0	321.381	-1.203	50	0		DAAARO
C[NH2+][C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	ZINC000053203110	277300268	/nfs/dbraw/zinc/30/02/68/277300268.db2.gz	YTWHHEJQLWEKJC-VIFPVBQESA-N	1	0	316.383	-1.544	50	0		DAAARO
[NH3+]CC(=O)N1CCOCCOCCOCCOCCOCC1	ZINC000006904628	295216393	/nfs/dbraw/zinc/21/63/93/295216393.db2.gz	SDKJZKDFMGXWJG-UHFFFAOYSA-N	1	0	320.386	-1.130	50	0		DAAARO
CN(CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)S(C)(=O)=O	ZINC000083857474	545705011	/nfs/dbraw/zinc/70/50/11/545705011.db2.gz	HTNJVEOELMTDMK-RYUDHWBXSA-N	1	0	319.427	-1.065	50	0		DAAARO
C[NH+](C)C[C@H](O)CN1CCN(C(=O)c2cncc(=O)[nH]2)CC1	ZINC000670450784	545832857	/nfs/dbraw/zinc/83/28/57/545832857.db2.gz	KVLOYAVAFLIMRU-NSHDSACASA-N	1	0	309.370	-1.550	50	0		DAAARO
CC[NH+]1CCN(CC(=O)NCc2nc(C(=O)NC)no2)CC1	ZINC000952982857	664114213	/nfs/dbraw/zinc/11/42/13/664114213.db2.gz	RHQSHKRAMSBMEE-UHFFFAOYSA-N	1	0	310.358	-1.317	50	0		DAAARO
COC(=O)N(C)CCN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1	ZINC000721809148	664612689	/nfs/dbraw/zinc/61/26/89/664612689.db2.gz	XDVWDWYCCYLFGW-SNVBAGLBSA-N	1	0	309.388	-1.065	50	0		DAAARO