smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1	ZINC000096924141	185391706	/nfs/dbraw/zinc/39/17/06/185391706.db2.gz	ZKRCBIAUJWYKBL-UHFFFAOYSA-N	1	0	317.462	2.165	1	0		DEAFRO
Cc1nc([C@H](C)Nc2ncnc3c2CC[NH2+]CC3)c(C)s1	ZINC000072438399	191167977	/nfs/dbraw/zinc/16/79/77/191167977.db2.gz	AGVIAYCMDULWGS-VIFPVBQESA-N	1	0	303.435	2.411	1	0		DEAFRO
COc1ccc2cc3cc(C(=O)NCC[NH+](C)C)oc3nc2c1	ZINC000004907995	181171235	/nfs/dbraw/zinc/17/12/35/181171235.db2.gz	XKSGDRAHJYWJKT-UHFFFAOYSA-N	1	0	313.357	2.281	1	0		DEAFRO
Brc1ccc2ccn(CCN3CC[NH2+]CC3)c2c1	ZINC000022939963	182343740	/nfs/dbraw/zinc/34/37/40/182343740.db2.gz	CZPQKAGJUCZIER-UHFFFAOYSA-N	1	0	308.223	2.309	1	0		DEAFRO
CCC[N@@H+]1C[C@@H]2C(=O)CC[C@H]1CN2Cc1ccc(OC)cc1	ZINC000040379652	183057828	/nfs/dbraw/zinc/05/78/28/183057828.db2.gz	VXAKKTBGYHRHTJ-DOTOQJQBSA-N	1	0	302.418	2.323	1	0		DEAFRO
COc1ccc(OC)c(NC(=O)Nc2nc(C[NH3+])cs2)c1	ZINC000061895898	184193222	/nfs/dbraw/zinc/19/32/22/184193222.db2.gz	VXLJNRPFJWIPIZ-UHFFFAOYSA-N	1	0	308.363	2.263	3	0		DEAFRO
O=C(Nc1ccc(C2=[NH+]CCN2)cn1)c1cc2ccccc2o1	ZINC000095598309	185382313	/nfs/dbraw/zinc/38/23/13/185382313.db2.gz	KPWQCAODUJIIPX-UHFFFAOYSA-N	1	0	306.325	2.430	1	0		DEAFRO
Nc1nc(N[C@@H]2CCC[NH2+]C2)sc1C(=O)c1cccc(F)c1	ZINC000071317438	190957251	/nfs/dbraw/zinc/95/72/51/190957251.db2.gz	NIIWDVWAZLNFPB-LLVKDONJSA-N	1	0	320.393	2.259	1	0		DEAFRO
CC[NH+](CC)CCCNC(=O)c1cnc2cc(C(C)=O)[nH]c2c1	ZINC000072323368	191121824	/nfs/dbraw/zinc/12/18/24/191121824.db2.gz	VVXSZACAGQTXBQ-UHFFFAOYSA-N	1	0	316.405	2.227	2	0		DEAFRO
COc1cccc2cc(C(=O)OC3CC[NH+](C)CC3)c(=O)oc21	ZINC000004581094	181126942	/nfs/dbraw/zinc/12/69/42/181126942.db2.gz	QIONTIWKCIEOAF-UHFFFAOYSA-N	1	0	317.341	2.053	3	0		DEAFRO
CN(C)C(=O)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1	ZINC000022939744	182343307	/nfs/dbraw/zinc/34/33/07/182343307.db2.gz	ONJFFIROJUYRLZ-IBGZPJMESA-N	1	0	323.440	2.383	1	0		DEAFRO
COc1cccc(-c2ccc(NC(=O)[C@@](C)([NH3+])CO)cc2)c1	ZINC000040897939	183146982	/nfs/dbraw/zinc/14/69/82/183146982.db2.gz	SAFKXDCLAPKUCP-KRWDZBQOSA-N	1	0	300.358	2.010	1	0		DEAFRO
[NH3+][C@@H](CO)c1csc(NC(=O)Nc2cccc(Cl)c2)n1	ZINC000061908374	184194557	/nfs/dbraw/zinc/19/45/57/184194557.db2.gz	HVRSMBBXSXGDCE-VIFPVBQESA-N	1	0	312.782	2.433	3	0		DEAFRO
COc1cc([C@H](OC)[C@H](C)[NH3+])ccc1I	ZINC000064539493	184299336	/nfs/dbraw/zinc/29/93/36/184299336.db2.gz	QFGJORGKDYOEFR-WRWORJQWSA-N	1	0	321.158	2.335	1	0		DEAFRO
CCn1nc2c3c1cccc3C(=O)N([C@@H]1C[NH+]3CCC1CC3)C2	ZINC000066099542	184389107	/nfs/dbraw/zinc/38/91/07/184389107.db2.gz	JOEZRUWANPRMKY-MRXNPFEDSA-N	1	0	310.401	2.106	1	0		DEAFRO
Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(C[NH+](C)C)C2)sc1C	ZINC000299842442	257103958	/nfs/dbraw/zinc/10/39/58/257103958.db2.gz	GJOQUZIYCFMALG-XJKSGUPXSA-N	1	0	308.447	2.015	1	0		DEAFRO
CC(=O)Nc1ncc(CCc2ccc(NC(N)=[NH2+])cc2)s1	ZINC000095581490	185381230	/nfs/dbraw/zinc/38/12/30/185381230.db2.gz	KDPOUVBPGICESV-UHFFFAOYSA-N	1	0	303.391	2.192	1	0		DEAFRO
O=C1CS[C@@H](c2cccc(O)c2)N1CC[NH+]1CCCCC1	ZINC000096928640	185392275	/nfs/dbraw/zinc/39/22/75/185392275.db2.gz	LLEMNSSTIAAZTJ-INIZCTEOSA-N	1	0	306.431	2.452	1	0		DEAFRO
C=C(c1ccccc1OC[C@@H](O)C[NH2+]C(C)C)n1cccn1	ZINC000040466975	183072878	/nfs/dbraw/zinc/07/28/78/183072878.db2.gz	SEFIDNYXHCEDOB-HNNXBMFYSA-N	1	0	301.390	2.140	1	0		DEAFRO
Fc1ccc(F)c(-c2ccnc(N3C[C@@H]4CC[NH2+][C@@H]4C3)n2)c1	ZINC000040565509	183103776	/nfs/dbraw/zinc/10/37/76/183103776.db2.gz	SJGQQFUEADSMJP-ZUZCIYMTSA-N	1	0	302.328	2.220	1	0		DEAFRO
COc1cccc([C@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)c1	ZINC000040895231	183147430	/nfs/dbraw/zinc/14/74/30/183147430.db2.gz	UMSMPSYOGHOLME-SFHVURJKSA-N	1	0	318.461	2.379	1	0	in-vitro	DEAFRO
Fc1cccc(F)c1O[C@@H](c1ccccn1)[C@@H]1C[NH2+]CCO1	ZINC000040918242	183148488	/nfs/dbraw/zinc/14/84/88/183148488.db2.gz	QIVITPMRYRPJPE-HOCLYGCPSA-N	1	0	306.312	2.468	1	0		DEAFRO
CC[N@H+](C)Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O	ZINC000043079131	183334904	/nfs/dbraw/zinc/33/49/04/183334904.db2.gz	JUDFDBKKMBAQSU-UHFFFAOYSA-N	1	0	303.406	2.307	1	0		DEAFRO
O=S(=O)(Cc1ccc2c(c1)CC[NH2+]CC2)c1ccccc1	ZINC000049053278	183707093	/nfs/dbraw/zinc/70/70/93/183707093.db2.gz	ICKFLQAGATZMFM-UHFFFAOYSA-N	1	0	301.411	2.349	1	0		DEAFRO
COc1ccc(-c2cc(C(=O)NC3CC3)nc(C)c2C[NH3+])cc1	ZINC000066112806	184390874	/nfs/dbraw/zinc/39/08/74/184390874.db2.gz	UYLAALLXBOBSPB-UHFFFAOYSA-N	1	0	311.385	2.417	1	0		DEAFRO
C[C@H]1C[C@@H]([C@@H]2CC[C@@H]3[N@@H+]2CCCC[C@@]32C[C@H](C)C(=O)O2)OC1=O	ZINC000070454859	560047865	/nfs/dbraw/zinc/04/78/65/560047865.db2.gz	FOGTVYCUHQOMDW-DFIGXFEKSA-N	1	0	321.417	2.277	1	0	biogenic,in-vitro	DEAFRO
CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C	ZINC000001319785	560125417	/nfs/dbraw/zinc/12/54/17/560125417.db2.gz	NMPOSNRHZIWLLL-UGUYLWEFSA-N	1	0	317.385	2.258	1	0	biogenic,in-man	DEAFRO
C[NH+](C)CCNC(=O)c1cn(Cc2ccccc2)c2ncccc12	ZINC000072322811	191121909	/nfs/dbraw/zinc/12/19/09/191121909.db2.gz	BUWOVKAHGLGOLI-UHFFFAOYSA-N	1	0	322.412	2.376	2	0		DEAFRO
O=C(NC[C@@H]1CC[N@@H+]2CCC[C@@H]12)c1cc(Cl)cn2ccnc12	ZINC000003776907	181045275	/nfs/dbraw/zinc/04/52/75/181045275.db2.gz	SKYGATVDBNOBSE-FZMZJTMJSA-N	1	0	318.808	2.202	1	0		DEAFRO
Cc1cc(=O)oc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc12	ZINC000040918270	183148103	/nfs/dbraw/zinc/14/81/03/183148103.db2.gz	AEMRYWAFELZCQN-CQSZACIVSA-N	1	0	317.385	2.327	1	0		DEAFRO
Cn1c2c(c(=[NH+]CCCO)c3ccccc31)[C@H]1C=CC=C[C@H]1N2	ZINC000103159112	185436202	/nfs/dbraw/zinc/43/62/02/185436202.db2.gz	WKJFWZFNXGTCGG-DZGCQCFKSA-N	1	0	307.397	2.342	1	0		DEAFRO
C[NH2+]CCOc1c(NC(C)=O)c(OC)c2ccoc2c1OC	ZINC000001854342	180899041	/nfs/dbraw/zinc/89/90/41/180899041.db2.gz	UZXWFQWISJLLJO-UHFFFAOYSA-N	1	0	308.334	2.007	1	0		DEAFRO
Cc1cccc2c1cc(C(N)=O)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000003815853	181047317	/nfs/dbraw/zinc/04/73/17/181047317.db2.gz	KTVGWGLYHOORAU-UHFFFAOYSA-N	1	0	306.369	2.381	1	0		DEAFRO
[NH2+]=C1NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc(F)c1	ZINC000013662165	181874925	/nfs/dbraw/zinc/87/49/25/181874925.db2.gz	HGIXOWRTMNJUDI-INIZCTEOSA-N	1	0	313.376	2.315	3	0		DEAFRO
CCCn1c(=O)c2ccccc2nc1[C@H](CC)N1CC[NH2+]CC1	ZINC000022468647	182322960	/nfs/dbraw/zinc/32/29/60/182322960.db2.gz	KNJGZAAVXRTGMM-INIZCTEOSA-N	1	0	314.433	2.163	1	0		DEAFRO
C[C@]([NH3+])(CO)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1	ZINC000040891715	183146183	/nfs/dbraw/zinc/14/61/83/183146183.db2.gz	PWEUJBIPJZEZON-INIZCTEOSA-N	1	0	304.321	2.266	1	0		DEAFRO
C[C@@H]1Cc2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2O1	ZINC000026940108	401842719	/nfs/dbraw/zinc/84/27/19/401842719.db2.gz	XUKAXJRMTFYJKW-JZIBPQBNSA-N	1	0	300.402	2.365	1	0		DEAFRO
CCOC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000004910403	181172378	/nfs/dbraw/zinc/17/23/78/181172378.db2.gz	IQZRJPNCVYHDEE-YIONKMFJSA-N	1	0	317.389	2.268	3	0		DEAFRO
[NH2+]=C1NC[C@@H](Cc2ccc(O)cc2)N1CCc1cccc(F)c1	ZINC000013662111	181875054	/nfs/dbraw/zinc/87/50/54/181875054.db2.gz	HGIXOWRTMNJUDI-MRXNPFEDSA-N	1	0	313.376	2.315	3	0		DEAFRO
CCC[NH+](CCC)CCc1ccc(O)c2c1[C@@](C)(O)C(=O)N2	ZINC000028008351	182504428	/nfs/dbraw/zinc/50/44/28/182504428.db2.gz	ZUHFNSXBLQNZMI-QGZVFWFLSA-N	1	0	306.406	2.216	1	0		DEAFRO
CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CC[NH2+]CC2	ZINC000040430560	183066185	/nfs/dbraw/zinc/06/61/85/183066185.db2.gz	DIZZADVCOPMWQC-UHFFFAOYSA-N	1	0	316.426	2.200	1	0		DEAFRO
C[C@@H](O)[C@@]12C[N@H+](C)[C@H]3C[C@@]14c1ccccc1N=C4[C@H]1C[C@@H]2[C@@H]3CO1	ZINC000095912022	560057638	/nfs/dbraw/zinc/05/76/38/560057638.db2.gz	WWJBPXXKMPCCIZ-NBMDWUTRSA-N	1	0	324.424	2.130	1	0	biogenic,in-vitro	DEAFRO
[NH3+]CCNc1ccn2ncc(-c3cccc(-c4ncc[nH]4)c3)c2n1	ZINC000096938012	185393075	/nfs/dbraw/zinc/39/30/75/185393075.db2.gz	YOUWJNBDJLCGGN-UHFFFAOYSA-N	1	0	319.372	2.157	1	0		DEAFRO
CC[NH+](CC)CCNC(=O)C1=C(C)C(=O)OC12CCCCC2	ZINC000006772361	181386069	/nfs/dbraw/zinc/38/60/69/181386069.db2.gz	RRWVPWUIPBWURP-UHFFFAOYSA-N	1	0	308.422	2.021	1	0		DEAFRO
CC(=O)N1CCO[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1	ZINC000299841970	257103868	/nfs/dbraw/zinc/10/38/68/257103868.db2.gz	GSQVZLGSUVKBLL-ZBFHGGJFSA-N	1	0	308.809	2.019	1	0		DEAFRO
CS(=O)(=O)N1CCC[C@H]2C[N@@H+]3CCc4ccccc4[C@@H]3C[C@@H]21	ZINC000003784948	181046571	/nfs/dbraw/zinc/04/65/71/181046571.db2.gz	VMXHRWVVRCYCLY-XIRDDKMYSA-N	1	0	320.458	2.030	1	0		DEAFRO
C[C@@H]1CC(=O)NN=C1c1ccc(OCCC[NH+]2CCCC2)cc1	ZINC000073219913	191294371	/nfs/dbraw/zinc/29/43/71/191294371.db2.gz	SMIRNBCIQIPOFS-CQSZACIVSA-N	1	0	315.417	2.411	1	0		DEAFRO
CCCS(=O)(=O)N(C)[C@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1	ZINC000005836751	181288091	/nfs/dbraw/zinc/28/80/91/181288091.db2.gz	LJPDFKRYOKWXMQ-DOTOQJQBSA-N	1	0	322.474	2.420	1	0	in-vitro	DEAFRO
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN1CC[NH2+]CC1)O2	ZINC000022934149	182342280	/nfs/dbraw/zinc/34/22/80/182342280.db2.gz	GTJPLTNQCUVJMB-GOSISDBHSA-N	1	0	304.434	2.306	1	0		DEAFRO
C[C@@]12CC(=O)[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(N)=[NH+]2	ZINC000026145757	182431407	/nfs/dbraw/zinc/43/14/07/182431407.db2.gz	LLAKESJIQFAQJA-UDOLYQDGSA-N	1	0	304.434	2.498	1	0		DEAFRO
C[C@]1(c2nc3c(cc(C(F)(F)F)cc3C(N)=O)[nH]2)CCC[NH2+]1	ZINC000040955335	183151583	/nfs/dbraw/zinc/15/15/83/183151583.db2.gz	ZSMHEAVFVSTGHJ-CYBMUJFWSA-N	1	0	312.295	2.279	1	0		DEAFRO
COc1cccc([C@]2(c3ccccc3)NC(=[NH2+])N3CCCN=C32)c1	ZINC000045245769	183490528	/nfs/dbraw/zinc/49/05/28/183490528.db2.gz	XIYBKNUQOILLJU-IBGZPJMESA-N	1	0	320.396	2.371	1	0		DEAFRO
CCn1nc2c3c1cccc3C(=O)N([C@H]1C[NH+]3CCC1CC3)C2	ZINC000066261891	184399689	/nfs/dbraw/zinc/39/96/89/184399689.db2.gz	JOEZRUWANPRMKY-INIZCTEOSA-N	1	0	310.401	2.106	1	0		DEAFRO
c1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CC2CC2)cc2c1OCO2	ZINC000299841986	257103696	/nfs/dbraw/zinc/10/36/96/257103696.db2.gz	HHTIYNUBOGDRRG-HOTGVXAUSA-N	1	0	300.402	2.474	1	0		DEAFRO
CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CCN(C)CC1	ZINC000049037099	402011296	/nfs/dbraw/zinc/01/12/96/402011296.db2.gz	YIUWNBCQCZLUCK-MRXNPFEDSA-N	1	0	306.450	2.234	1	0		DEAFRO
CCOC(=O)NCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CC[NH2+]2)c1	ZINC000096915336	185391501	/nfs/dbraw/zinc/39/15/01/185391501.db2.gz	MQFPGPLIWRDLKR-NOLJZWGESA-N	1	0	319.405	2.062	1	0		DEAFRO
c1cc(C[C@@H]2CC[C@H](C[N@@H+]3CCCOCC3)O2)cc2c1OCO2	ZINC000072476834	191178653	/nfs/dbraw/zinc/17/86/53/191178653.db2.gz	BIPOKUBJWKRHAF-JKSUJKDBSA-N	1	0	319.401	2.228	1	0		DEAFRO
CCc1ccc(OC)c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1O	ZINC000005688578	181273150	/nfs/dbraw/zinc/27/31/50/181273150.db2.gz	YMTZSXGHAFKWEQ-ZDUSSCGKSA-N	1	0	306.406	2.177	1	0		DEAFRO
CC[NH2+]Cc1nc2c(c(N)nc3ccccc23)n1CC(C)(C)O	ZINC000040395176	183060913	/nfs/dbraw/zinc/06/09/13/183060913.db2.gz	FTWUQVWZQRLOFN-UHFFFAOYSA-N	1	0	313.405	2.047	1	0		DEAFRO
O=C([C@@H]1C[C@@H](NCc2ccccc2)C[NH2+]1)N1Cc2ccccc2C1	ZINC000040845110	183140740	/nfs/dbraw/zinc/14/07/40/183140740.db2.gz	BCZDZAZLTVKVSQ-MOPGFXCFSA-N	1	0	321.424	2.049	1	0		DEAFRO
COc1ccc([C@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)cc1	ZINC000040894860	183147370	/nfs/dbraw/zinc/14/73/70/183147370.db2.gz	WOVYVTANZSOFJK-SFHVURJKSA-N	1	0	318.461	2.379	1	0	in-vitro	DEAFRO
CCOc1nc2ccccc2nc1C(=O)NCC[NH+](CC)CC	ZINC000066074368	184387270	/nfs/dbraw/zinc/38/72/70/184387270.db2.gz	CBMRZMBQWVMLNV-UHFFFAOYSA-N	1	0	316.405	2.100	1	0		DEAFRO
C[C@@H](CNC(=O)Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1	ZINC000040828625	1078270764	/nfs/dbraw/zinc/27/07/64/1078270764.db2.gz	CPJOTJVGGVYFEF-MAUKXSAKSA-N	1	0	312.413	2.057	1	0		DEAFRO
[NH3+][C@@H]1Cc2cn(S(=O)(=O)c3ccccc3)c3cccc(c23)C1	ZINC000095556132	185379758	/nfs/dbraw/zinc/37/97/58/185379758.db2.gz	LMESWUCYEXZYAH-AWEZNQCLSA-N	1	0	312.394	2.304	1	0		DEAFRO
CC(=O)Nc1nc(CCc2ccc(NC(N)=[NH2+])cc2)cs1	ZINC000003962672	181059391	/nfs/dbraw/zinc/05/93/91/181059391.db2.gz	LMDXCMJWFMSUAI-UHFFFAOYSA-N	1	0	303.391	2.192	1	0		DEAFRO
CC(C)C[C@@H](CO)N1CC[N@H+](CCc2ccccc2)CCC1=O	ZINC000015937251	182026048	/nfs/dbraw/zinc/02/60/48/182026048.db2.gz	YPZCJQYJTLLFEP-SFHVURJKSA-N	1	0	318.461	2.170	3	0		DEAFRO
C[NH2+]Cc1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)c(F)c1	ZINC000045340301	183499387	/nfs/dbraw/zinc/49/93/87/183499387.db2.gz	PUMFLTSHAURNCY-UHFFFAOYSA-N	1	0	316.311	2.122	1	0		DEAFRO
CCNC(=O)[C@]1(C)CCC[N@H+](Cc2cccc3c2OCCO3)C1	ZINC000061902600	184193494	/nfs/dbraw/zinc/19/34/94/184193494.db2.gz	ZYOZGDJOZTZJEF-GOSISDBHSA-N	1	0	318.417	2.196	3	0		DEAFRO
c1ccc(O[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3CC2CCOCC2)nc1	ZINC000299841775	257103547	/nfs/dbraw/zinc/10/35/47/257103547.db2.gz	HYXDJXDRRHOURM-JFIYKMOQSA-N	1	0	318.417	2.119	1	0		DEAFRO
COc1ccc(OC)c(C2=CN(O)C(C)(C)C(C)(C)[N+]2=O)c1	ZINC000101184604	402144288	/nfs/dbraw/zinc/14/42/88/402144288.db2.gz	WPRKCHLVBWDEQL-UHFFFAOYSA-N	1	0	306.362	2.155	1	0		DEAFRO
COc1cc2c3c(c1O)[C@]1(C=C[C@@H](O)CC1)C[C@H]3[N@H+](C)CC2	ZINC000095912003	560055056	/nfs/dbraw/zinc/05/50/56/560055056.db2.gz	XXPUHUHGYZFFIO-VFVRVIDISA-N	1	0	301.386	2.282	1	0	biogenic,in-vitro	DEAFRO
O=C(c1ccc(Br)cc1)N1C[C@H]2C[NH2+]C[C@H](C2)C1	ZINC000103244603	185440322	/nfs/dbraw/zinc/44/03/22/185440322.db2.gz	SAVKGTCEBKGKEW-PHIMTYICSA-N	1	0	309.207	2.131	1	0		DEAFRO
C[NH2+][C@@H]1CCN(c2nc(N)nc3c2oc2cccc(Cl)c23)C1	ZINC000073158763	191285837	/nfs/dbraw/zinc/28/58/37/191285837.db2.gz	LJSDZLLEOCBXBC-MRVPVSSYSA-N	1	0	317.780	2.410	1	0		DEAFRO
C[NH+](C)Cc1ccnc([C@H]2CCCN2Cc2ccc(F)cn2)n1	ZINC000257307800	203032458	/nfs/dbraw/zinc/03/24/58/203032458.db2.gz	TUEIVJNTPUSTOS-MRXNPFEDSA-N	1	0	315.396	2.409	1	0		DEAFRO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(NC(C)=O)cc1)[N@@H+]2C	ZINC000026732492	182451685	/nfs/dbraw/zinc/45/16/85/182451685.db2.gz	VZDGLCMFFRBUGI-YLFCFFPRSA-N	1	0	316.401	2.384	1	0		DEAFRO
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000040670681	183115549	/nfs/dbraw/zinc/11/55/49/183115549.db2.gz	IEBITTOKLTXHMN-KJGQSVJNSA-N	1	0	313.397	2.179	1	0		DEAFRO
COc1ccc2cc([C@@H](CC[NH+](C)C)n3ncnn3)ccc2c1	ZINC000064380866	184296096	/nfs/dbraw/zinc/29/60/96/184296096.db2.gz	SLSGGVPSCGVWNP-QGZVFWFLSA-N	1	0	311.389	2.376	1	0		DEAFRO
CCOC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N@@H+]2C	ZINC000003872127	181050810	/nfs/dbraw/zinc/05/08/10/181050810.db2.gz	NMPOSNRHZIWLLL-FXUDXRNXSA-N	1	0	317.385	2.258	1	0	biogenic,in-man	DEAFRO
C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1C	ZINC000006586351	181358118	/nfs/dbraw/zinc/35/81/18/181358118.db2.gz	QGYCWXHMMROHGB-JMSVASOKSA-N	1	0	303.406	2.138	3	0		DEAFRO
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(NC(C)=O)cc1)[N@@H+]2C	ZINC000036177163	182807466	/nfs/dbraw/zinc/80/74/66/182807466.db2.gz	VZDGLCMFFRBUGI-NCOADZHNSA-N	1	0	316.401	2.384	1	0		DEAFRO
COc1cccc([C@@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)c1	ZINC000040895228	183147090	/nfs/dbraw/zinc/14/70/90/183147090.db2.gz	UMSMPSYOGHOLME-GOSISDBHSA-N	1	0	318.461	2.379	1	0	in-vitro	DEAFRO
C[NH2+]C[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1OC	ZINC000040979462	183154561	/nfs/dbraw/zinc/15/45/61/183154561.db2.gz	NTKCCYPDVMIZQP-AEFFLSMTSA-N	1	0	300.402	2.453	1	0		DEAFRO
NC(=O)c1cncc(-c2ccccc2O[C@H]2C[C@H]3C[C@@H]2C[NH2+]C3)c1	ZINC000058541515	184122246	/nfs/dbraw/zinc/12/22/46/184122246.db2.gz	OUHSMVDDOPDHGW-DFHBCGBQSA-N	1	0	323.396	2.224	1	0		DEAFRO
CC(C)([NH3+])CNc1nc(-c2ccnc(N)c2)cc2cnccc21	ZINC000095561156	185380061	/nfs/dbraw/zinc/38/00/61/185380061.db2.gz	WZFQFSZXBRORHS-UHFFFAOYSA-N	1	0	308.389	2.423	1	0		DEAFRO
O=S(=O)(Cc1ccc2ccccc2c1)NCC[NH+]1CCCC1	ZINC000103249013	539437094	/nfs/dbraw/zinc/43/70/94/539437094.db2.gz	MKRJHVVORFLJLF-UHFFFAOYSA-N	1	0	318.442	2.355	1	0		DEAFRO
Cc1coc([C@@H](Oc2c(F)cccc2F)[C@@H]2C[NH2+]CCO2)n1	ZINC000040423264	183065441	/nfs/dbraw/zinc/06/54/41/183065441.db2.gz	GPVPGABIUWQWLB-JSGCOSHPSA-N	1	0	310.300	2.370	1	0		DEAFRO
O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000040429901	183066182	/nfs/dbraw/zinc/06/61/82/183066182.db2.gz	JZGBLZRMUKFLDN-UHFFFAOYSA-N	1	0	305.374	2.347	1	0		DEAFRO
Cc1cc(C)[n+](-c2ccc(C(C)C)cc2)c2[nH]c(=O)[nH]c(=O)c12	ZINC000003182655	274682671	/nfs/dbraw/zinc/68/26/71/274682671.db2.gz	IRYCSUZJXRBQHE-UHFFFAOYSA-O	1	0	310.377	2.233	3	0	aggregator	DEAFRO
COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[C@H]1O[C@H]2O)CC[N@H+]3C	ZINC000039205768	183014841	/nfs/dbraw/zinc/01/48/41/183014841.db2.gz	VHYYSQODIQWPDO-BNEJOLLZSA-N	1	0	317.385	2.211	3	0		DEAFRO
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CC[NH2+]CC1	ZINC000040379369	183057860	/nfs/dbraw/zinc/05/78/60/183057860.db2.gz	CIGMIXWAESLRNR-UHFFFAOYSA-N	1	0	309.373	2.311	1	0		DEAFRO
CCC[N@@H+]1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCNC4=O	ZINC000040943259	183149902	/nfs/dbraw/zinc/14/99/02/183149902.db2.gz	TUSYNOYQWBWIFT-IAGOWNOFSA-N	1	0	300.402	2.071	1	0		DEAFRO
[NH3+][C@@H]1CC[C@H](C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)C1	ZINC000058583865	184123329	/nfs/dbraw/zinc/12/33/29/184123329.db2.gz	IHRGTBNHKIUULE-VHSXEESVSA-N	1	0	305.765	2.247	1	0		DEAFRO
COc1ccc(OC)c(C[C@H]2CCc3[nH+]c(N)nc(N)c3C2)c1	ZINC000000007330	581096155	/nfs/dbraw/zinc/09/61/55/581096155.db2.gz	YGCBRLOKQASAIE-SNVBAGLBSA-N	1	0	314.389	2.006	1	0		DEAFRO
COc1cccc(Cn2cc(C3=CC[N@H+](CCO)CC3)cn2)c1	ZINC000067714075	640627053	/nfs/dbraw/zinc/62/70/53/640627053.db2.gz	FILJCRFRFDPARB-UHFFFAOYSA-N	1	0	313.401	2.021	1	0		DEAFRO
CC[C@@H]1CN(c2cccc(-c3[nH]nc4ncccc43)n2)CC[NH2+]1	ZINC000095582194	185381306	/nfs/dbraw/zinc/38/13/06/185381306.db2.gz	GZRXZIIXJPGKRW-GFCCVEGCSA-N	1	0	308.389	2.208	1	0		DEAFRO
C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cc(=O)[nH]c3ccccc31)C2	ZINC000013731370	181885764	/nfs/dbraw/zinc/88/57/64/181885764.db2.gz	XCTVBULSHAYUDI-FUNVUKJBSA-N	1	0	312.369	2.310	1	0		DEAFRO
COc1cc(NC(=O)[C@]2(C)CCC[N@@H+]2C)cc(OC)c1OC	ZINC000061927913	184196132	/nfs/dbraw/zinc/19/61/32/184196132.db2.gz	KHDQUZXTJTVBLX-INIZCTEOSA-N	1	0	308.378	2.135	3	0		DEAFRO
COCCNc1nc2ccsc2c(NCCC[NH+](C)C)n1	ZINC000061926387	184196439	/nfs/dbraw/zinc/19/64/39/184196439.db2.gz	ZGNBTKKSXAKQGC-UHFFFAOYSA-N	1	0	309.439	2.113	3	0		DEAFRO
C[NH+]1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc32)CC1	ZINC000073223159	191294696	/nfs/dbraw/zinc/29/46/96/191294696.db2.gz	ZULPGIJFVSVHRG-UHFFFAOYSA-N	1	0	309.373	2.224	1	0		DEAFRO
Oc1cccc2c1O[C@H]1[C@@H](O)CC[C@H]3C[N@H+](CC4CC4)CC[C@]213	ZINC000013738595	181887453	/nfs/dbraw/zinc/88/74/53/181887453.db2.gz	KTXMLKWFHNEBJM-FDARSICLSA-N	1	0	315.413	2.278	1	0		DEAFRO
CCNC(=O)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1	ZINC000022939738	182343447	/nfs/dbraw/zinc/34/34/47/182343447.db2.gz	OUHAZUDWFABOKW-IBGZPJMESA-N	1	0	323.440	2.431	1	0		DEAFRO
CC[C@@H]1CCC[C@@H](CC)[NH+]1CCCNC(=O)CN1CCCC1=O	ZINC000027760605	182491341	/nfs/dbraw/zinc/49/13/41/182491341.db2.gz	WVKYCMFQXCGLQL-HZPDHXFCSA-N	1	0	323.481	2.158	1	0		DEAFRO
S=C(Nc1ccnc2cc(Cl)ccc21)N1CC[NH2+]CC1	ZINC000028950245	182546524	/nfs/dbraw/zinc/54/65/24/182546524.db2.gz	SWQYRNVCAFKKHZ-UHFFFAOYSA-N	1	0	306.822	2.490	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@H](O)COc1ccc(/C=C/CO)cc1Cl	ZINC000040465661	183072529	/nfs/dbraw/zinc/07/25/29/183072529.db2.gz	NDHKYURTVMGSDC-IHVVCDCBSA-N	1	0	313.825	2.473	1	0		DEAFRO
CC(=O)NCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC000028233049	534379468	/nfs/dbraw/zinc/37/94/68/534379468.db2.gz	GSIGQTMTQNFDFP-UHFFFAOYSA-N	1	0	309.841	2.378	1	0		DEAFRO
CCCS(=O)(=O)N(C)[C@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1	ZINC000014953373	560227841	/nfs/dbraw/zinc/22/78/41/560227841.db2.gz	LJPDFKRYOKWXMQ-RDJZCZTQSA-N	1	0	322.474	2.420	1	0	in-vitro	DEAFRO
Cc1cccc(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000028372311	539332018	/nfs/dbraw/zinc/33/20/18/539332018.db2.gz	JVUKJJSDYTTXPN-UHFFFAOYSA-N	1	0	310.401	2.151	1	0		DEAFRO
C[NH+](C)CCc1c[nH]c2ccc(Cc3nc(N)ns3)cc12	ZINC000013827497	181903990	/nfs/dbraw/zinc/90/39/90/181903990.db2.gz	BEDGPDAVDXHRMR-UHFFFAOYSA-N	1	0	301.419	2.297	1	0		DEAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@H]2CC(C)(C)C(=O)[C@@H]3O5	ZINC000040737557	183127431	/nfs/dbraw/zinc/12/74/31/183127431.db2.gz	XVXRLVQZZHOHFA-JWUMNEAUSA-N	1	0	313.397	2.266	1	0		DEAFRO
CCC[N@@H+]1CCO[C@@H]2c3cc(C(=O)N(C)C)ccc3CC[C@H]21	ZINC000040938776	183149507	/nfs/dbraw/zinc/14/95/07/183149507.db2.gz	UDEAASQJJIGOTN-IAGOWNOFSA-N	1	0	302.418	2.487	1	0		DEAFRO
COc1c(O)cc2c(c1OC)C[N@H+]1CC[C@]23C=C[C@H](OC)C[C@H]13	ZINC000000897544	560179126	/nfs/dbraw/zinc/17/91/26/560179126.db2.gz	FADGQBPUPGSTJB-GEWABHDNSA-N	1	0	317.385	2.210	1	0	in-vitro	DEAFRO
c1ccc(C2=[NH+]C[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1	ZINC000022451171	870075499	/nfs/dbraw/zinc/07/54/99/870075499.db2.gz	QRYAMGGRUIKACE-GOSISDBHSA-N	1	0	320.440	2.227	1	0		DEAFRO
c1cc(-c2cc3cnccc3c(N3CCC[NH2+]CC3)n2)ccn1	ZINC000095558821	185379894	/nfs/dbraw/zinc/37/98/94/185379894.db2.gz	VLUGUCDUHZVABE-UHFFFAOYSA-N	1	0	305.385	2.492	1	0		DEAFRO
CN(C(=O)Cc1cccnc1)[C@H]1CCCC[C@H]1[NH+]1CCCC1	ZINC000001657953	180885085	/nfs/dbraw/zinc/88/50/85/180885085.db2.gz	XQVIAJQYLAQVLO-DLBZAZTESA-N	1	0	301.434	2.490	1	0		DEAFRO
C[NH+](C)CCCn1nc(N)c2nc3cc(Cl)ccc3nc21	ZINC000001861229	180899330	/nfs/dbraw/zinc/89/93/30/180899330.db2.gz	UKBWRQMUGFPSPC-UHFFFAOYSA-N	1	0	304.785	2.167	1	0		DEAFRO
Nc1ccc2c3c1cccc3C(=O)N([C@@H]1C[NH+]3CCC1CC3)C2=O	ZINC000003782127	181046405	/nfs/dbraw/zinc/04/64/05/181046405.db2.gz	GGQMXMGHFNPCQV-MRXNPFEDSA-N	1	0	321.380	2.112	1	0		DEAFRO
C[N@@H+]1CCC=C([C@@H]2CN(C(=S)Nc3ccccc3)CCO2)C1	ZINC000040874790	183145368	/nfs/dbraw/zinc/14/53/68/183145368.db2.gz	VMNUGITWBHMUOY-INIZCTEOSA-N	1	0	317.458	2.346	1	0		DEAFRO
O=C(NCCC1CC[NH2+]CC1)Nc1ccc2nnsc2c1	ZINC000095583822	185381256	/nfs/dbraw/zinc/38/12/56/185381256.db2.gz	RFXWGGMEQRVEMR-UHFFFAOYSA-N	1	0	305.407	2.203	1	0		DEAFRO
CCCCc1ccc(-c2nc(CNC[C@@H](O)C[NH3+])co2)cc1	ZINC000072182323	191072402	/nfs/dbraw/zinc/07/24/02/191072402.db2.gz	MQNVARXTBZGMRI-INIZCTEOSA-N	1	0	303.406	2.093	1	0		DEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2C[C@H]3C[C@@H]2C[NH2+]3)n1	ZINC000073196097	191290712	/nfs/dbraw/zinc/29/07/12/191290712.db2.gz	PBVFJBBINVIEIG-RKDXNWHRSA-N	1	0	315.764	2.162	1	0		DEAFRO
O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cc[nH+]cc3)C2)C1	ZINC000003956122	181058760	/nfs/dbraw/zinc/05/87/60/181058760.db2.gz	LDEBHGWOYJCQTG-SFHVURJKSA-N	1	0	323.400	2.004	1	0		DEAFRO
O=C(c1ccncc1)N1CCC2(CN(c3cc[nH+]cc3)C2)CC1	ZINC000003956146	181058841	/nfs/dbraw/zinc/05/88/41/181058841.db2.gz	TUHUXDCKVWIEPB-UHFFFAOYSA-N	1	0	308.385	2.219	1	0		DEAFRO
CS(=O)(=O)N1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000003955951	181058975	/nfs/dbraw/zinc/05/89/75/181058975.db2.gz	FIQMJLQDFJKZDQ-UHFFFAOYSA-N	1	0	322.474	2.324	1	0		DEAFRO
C[NH+]1CCN(c2nc(N)nc3cc(-c4ccco4)ccc32)CC1	ZINC000073223164	191296314	/nfs/dbraw/zinc/29/63/14/191296314.db2.gz	ICIGFIHEQAKGAX-UHFFFAOYSA-N	1	0	309.373	2.224	1	0		DEAFRO
CC[C@H](O)/C(C)=C/C[C@@H](C)/C=C1\C[N@@H+]2CCC[C@H]2[C@@](C)(O)[C@@H]1O	ZINC000005921898	181296790	/nfs/dbraw/zinc/29/67/90/181296790.db2.gz	DQSBNMJLDZIARX-HPWWFJFGSA-N	1	0	323.477	2.246	1	0		DEAFRO
NC(=O)c1cccc2[nH]c([C@@]3([NH3+])CCc4ccccc4C3)nc21	ZINC000040934798	183149057	/nfs/dbraw/zinc/14/90/57/183149057.db2.gz	KFCGQVDSANSMGG-GOSISDBHSA-N	1	0	306.369	2.005	1	0		DEAFRO
C[C@H]1[C@@H]2Cc3ccc(C(N)=O)c(N)c3[C@@]1(C)CC[N@@H+]2CC1CC1	ZINC000040955268	183151485	/nfs/dbraw/zinc/15/14/85/183151485.db2.gz	MUEWNLFTXXPHJW-LLJZQGTPSA-N	1	0	313.445	2.302	1	0		DEAFRO
O=C(Nc1ncnc2[nH]c(-c3ccccc3)nc21)[C@@H]1CCCC[NH2+]1	ZINC000058603288	184124527	/nfs/dbraw/zinc/12/45/27/184124527.db2.gz	LQVMAPYGGPJINW-LBPRGKRZSA-N	1	0	322.372	2.101	1	0		DEAFRO
C[NH+](C)C1(C(=O)NCCOc2ccccc2)Cc2ccccc2C1	ZINC000012003822	401778872	/nfs/dbraw/zinc/77/88/72/401778872.db2.gz	QOCKPQFZQZPJDQ-UHFFFAOYSA-N	1	0	324.424	2.281	1	0		DEAFRO
O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(OCC(F)(F)F)c1	ZINC000169339358	197743741	/nfs/dbraw/zinc/74/37/41/197743741.db2.gz	QMQVDQUQXPGDSJ-LBPRGKRZSA-N	1	0	316.323	2.500	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@H](O)COc1nc(-c2ccccc2)ns1	ZINC000169342375	197743986	/nfs/dbraw/zinc/74/39/86/197743986.db2.gz	PLPKCOGMXVHZCA-LBPRGKRZSA-N	1	0	307.419	2.333	1	0		DEAFRO
COc1cc(C)c2nc3n[nH]c(C)c3c(N3CC[NH2+]CC3)c2c1	ZINC000073164532	191286990	/nfs/dbraw/zinc/28/69/90/191286990.db2.gz	LRBQTFPUUPFJQW-UHFFFAOYSA-N	1	0	311.389	2.146	1	0	in-vitro	DEAFRO
OC1(c2ccc3c(c2)OCO3)CC[NH+](Cc2ccccn2)CC1	ZINC000004092517	181072770	/nfs/dbraw/zinc/07/27/70/181072770.db2.gz	ZIGPBNGAJFGEMT-UHFFFAOYSA-N	1	0	312.369	2.294	3	0		DEAFRO
CC[NH+](CC)CCCCNC(=O)c1ccccc1OC(C)=O	ZINC000004215615	181085387	/nfs/dbraw/zinc/08/53/87/181085387.db2.gz	OXCRVQDEVWYAJE-UHFFFAOYSA-N	1	0	306.406	2.464	1	0	in-man	DEAFRO
c1ccc(C2(c3ccccc3)CO[C@@H](C3=[NH+]CCN3)CO2)cc1	ZINC000073297098	191302672	/nfs/dbraw/zinc/30/26/72/191302672.db2.gz	GTRWYVABSCIMJN-QGZVFWFLSA-N	1	0	308.381	2.347	1	0		DEAFRO
CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C[NH+](C)C	ZINC000005809701	181285910	/nfs/dbraw/zinc/28/59/10/181285910.db2.gz	LCKSWSNWBPDSBZ-UHFFFAOYSA-N	1	0	306.362	2.423	1	0		DEAFRO
Cc1ccc2c(c1)oc(=O)c1c2CCN(C[C@H](C)[NH+](C)C)C1	ZINC000027743057	182489507	/nfs/dbraw/zinc/48/95/07/182489507.db2.gz	YYWVICMEBPUGPU-ZDUSSCGKSA-N	1	0	300.402	2.410	1	0		DEAFRO
CCC[NH+](CCC)CCc1ccc(O)c2c1[C@](C)(O)C(=O)N2	ZINC000028008348	182504336	/nfs/dbraw/zinc/50/43/36/182504336.db2.gz	ZUHFNSXBLQNZMI-KRWDZBQOSA-N	1	0	306.406	2.216	1	0		DEAFRO
C[C@@]1(c2nc3c(cc(C(F)(F)F)cc3C(N)=O)[nH]2)CCC[NH2+]1	ZINC000040955336	183151469	/nfs/dbraw/zinc/15/14/69/183151469.db2.gz	ZSMHEAVFVSTGHJ-ZDUSSCGKSA-N	1	0	312.295	2.279	1	0		DEAFRO
CC(C)C[C@H]([NH3+])C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl	ZINC000058590737	184124007	/nfs/dbraw/zinc/12/40/07/184124007.db2.gz	RADQDLRYXIUSGX-LBPRGKRZSA-N	1	0	307.781	2.493	1	0		DEAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(OC)ccc(C)c1OC	ZINC000064446451	184296964	/nfs/dbraw/zinc/29/69/64/184296964.db2.gz	RHHXXLIDDWPLIK-ZDUSSCGKSA-N	1	0	306.406	2.226	1	0		DEAFRO
Cc1[nH]nc2nc3ccc(Cl)cc3c(N3CC[NH2+]CC3)c12	ZINC000073165692	191287610	/nfs/dbraw/zinc/28/76/10/191287610.db2.gz	ZVZABYFRKPBBCU-UHFFFAOYSA-N	1	0	301.781	2.483	1	0		DEAFRO
Cc1cc(Nc2ccc(Cl)cc2)n2nc(OCC[NH3+])nc2n1	ZINC000073315276	191303714	/nfs/dbraw/zinc/30/37/14/191303714.db2.gz	QYGFOYVLTHTPSN-UHFFFAOYSA-N	1	0	318.768	2.167	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@H](O)COc1ccc(O)c2c1CCC(=O)N2	ZINC000005352878	181233653	/nfs/dbraw/zinc/23/36/53/181233653.db2.gz	TVZJLAKRXHGVOK-JTQLQIEISA-N	1	0	308.378	2.054	1	0	world	DEAFRO
COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[C@H]1OC2=O)CC[N@@H+]3C	ZINC000005966336	181302151	/nfs/dbraw/zinc/30/21/51/181302151.db2.gz	WXZAKVLYZHWSNF-KBRIMQKVSA-N	1	0	315.369	2.361	1	0	biogenic,in-vitro	DEAFRO
C[NH2+]C1(CNC(=O)c2cc(Cl)c(N)cc2OC)CCCC1	ZINC000027086537	182462314	/nfs/dbraw/zinc/46/23/14/182462314.db2.gz	WZYBXWXOBIOGBH-UHFFFAOYSA-N	1	0	311.813	2.193	1	0		DEAFRO
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000039285481	183016320	/nfs/dbraw/zinc/01/63/20/183016320.db2.gz	XVILTQQTMCWFOP-MNOVXSKESA-N	1	0	323.824	2.287	1	0		DEAFRO
CCNC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc3c2OCCO3)C1	ZINC000061902601	184193516	/nfs/dbraw/zinc/19/35/16/184193516.db2.gz	ZYOZGDJOZTZJEF-SFHVURJKSA-N	1	0	318.417	2.196	3	0		DEAFRO
COc1ccc(-c2nnc(N3CC[N@@H+]4CCC[C@@H]4C3)s2)cc1	ZINC000066258557	184399197	/nfs/dbraw/zinc/39/91/97/184399197.db2.gz	WLUXMEPIHPPJSV-CYBMUJFWSA-N	1	0	316.430	2.498	1	0		DEAFRO
Cc1cc(N2CCCN(C(=O)Cc3cccnc3)CC2)cc[nH+]1	ZINC000082098733	192354498	/nfs/dbraw/zinc/35/44/98/192354498.db2.gz	YOAOFHBOKFMCBR-UHFFFAOYSA-N	1	0	310.401	2.066	1	0		DEAFRO
CC(=O)O[C@H]1CC=C(CC[NH+]2CCCCC2)C[C@@H]1OC(C)=O	ZINC000169327462	197741602	/nfs/dbraw/zinc/74/16/02/197741602.db2.gz	STMIWGQCDPHAHW-IRXDYDNUSA-N	1	0	309.406	2.446	1	0		DEAFRO
CO[C@@H]1Cc2c(cnn2C)C2(CC[NH+](CCC(C)C)CC2)O1	ZINC000072116493	191038248	/nfs/dbraw/zinc/03/82/48/191038248.db2.gz	GMHGNFNANZBJCS-INIZCTEOSA-N	1	0	307.438	2.303	1	0		DEAFRO
COC(=O)c1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1	ZINC000022939714	182343590	/nfs/dbraw/zinc/34/35/90/182343590.db2.gz	MGBUATLXUGLLFO-SFHVURJKSA-N	1	0	310.397	2.468	1	0		DEAFRO
C=C(c1ccccc1OC[C@H](O)C[NH2+]C(C)C)n1ccnc1	ZINC000040503753	183084728	/nfs/dbraw/zinc/08/47/28/183084728.db2.gz	YBXHNEDYXDOPAQ-OAHLLOKOSA-N	1	0	301.390	2.140	1	0		DEAFRO
CCOc1ccc(NC(=O)NCCCc2c[nH+]c(N)[nH]2)cc1	ZINC000042922816	183319276	/nfs/dbraw/zinc/31/92/76/183319276.db2.gz	IRMUSXDPPUTQLG-UHFFFAOYSA-N	1	0	303.366	2.145	1	0		DEAFRO
C[NH2+]Cc1ccc(-n2cc3c(n2)c(C(N)=O)ccc3Cl)cc1	ZINC000045366429	183501512	/nfs/dbraw/zinc/50/15/12/183501512.db2.gz	CQIIYLOAGYYBEK-UHFFFAOYSA-N	1	0	314.776	2.497	1	0		DEAFRO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccc(F)cc1)[N@@H+]2C	ZINC000058683258	184126209	/nfs/dbraw/zinc/12/62/09/184126209.db2.gz	JRPRINGETIYVSV-XGUBFFRZSA-N	1	0	321.348	2.007	1	0		DEAFRO
CC(C)(C)[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	ZINC000001482625	180869076	/nfs/dbraw/zinc/86/90/76/180869076.db2.gz	YZBMVCJXJMVFCT-UHFFFAOYSA-N	1	0	304.462	2.498	1	0		DEAFRO
Cn1cccc1C(=O)N1CCC2(CN(c3cc[nH+]cc3)C2)CC1	ZINC000003955818	181058537	/nfs/dbraw/zinc/05/85/37/181058537.db2.gz	PKIUKTCBYHKBPD-UHFFFAOYSA-N	1	0	310.401	2.163	1	0		DEAFRO
[NH3+][C@H](C(=O)N1CCC[C@H]1C(=O)c1nccs1)C1CCCCC1	ZINC000003949771	181058862	/nfs/dbraw/zinc/05/88/62/181058862.db2.gz	KXWKRWBNMCIPAV-STQMWFEESA-N	1	0	321.446	2.224	1	0		DEAFRO
c1ccc(C2(c3ccccc3)COC[C@H](C3=[NH+]CCN3)O2)cc1	ZINC000073313931	191304256	/nfs/dbraw/zinc/30/42/56/191304256.db2.gz	VMIZIRROPNWIIU-QGZVFWFLSA-N	1	0	308.381	2.347	1	0		DEAFRO
CC(C)(C)OC(=O)COc1ccc2c(c1)[C@H](O)[C@H]([NH3+])CCC2	ZINC000026649682	182448559	/nfs/dbraw/zinc/44/85/59/182448559.db2.gz	MBXKGJLQPDURPE-ZBFHGGJFSA-N	1	0	307.390	2.104	1	0		DEAFRO
CC[NH+](CC)C[C@@H](O)COc1ccc2oc(=O)cc(C)c2c1	ZINC000040379387	183058115	/nfs/dbraw/zinc/05/81/15/183058115.db2.gz	XISVELZPBQONBR-CYBMUJFWSA-N	1	0	305.374	2.183	1	0		DEAFRO
C=C(c1ccc(Cl)cc1OC[C@@H](O)C[NH2+]C)n1ccnc1	ZINC000040466125	183072895	/nfs/dbraw/zinc/07/28/95/183072895.db2.gz	RGEZDMFGIWAMIX-ZDUSSCGKSA-N	1	0	307.781	2.015	1	0		DEAFRO
N=C(N)c1ccc(-c2ccc(Cc3ccc(C(N)=[NH2+])cn3)o2)o1	ZINC000066166517	184394770	/nfs/dbraw/zinc/39/47/70/184394770.db2.gz	LSXUOQMNZQRFHD-UHFFFAOYSA-N	1	0	309.329	2.094	1	0		DEAFRO
COc1ccc(C[N@@H+]2[C@H](CO)[C@H]3c4ccccc4NC[C@H]32)cc1	ZINC000095568351	185380239	/nfs/dbraw/zinc/38/02/39/185380239.db2.gz	UXXSKSIMPYZVFE-QRVBRYPASA-N	1	0	310.397	2.450	1	0		DEAFRO
O=C1CS[C@H](c2cccc(O)c2)N1CC[NH+]1CCCCC1	ZINC000096928639	185392257	/nfs/dbraw/zinc/39/22/57/185392257.db2.gz	LLEMNSSTIAAZTJ-MRXNPFEDSA-N	1	0	306.431	2.452	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1nc(-c2ccccc2)ns1	ZINC000169342373	197744195	/nfs/dbraw/zinc/74/41/95/197744195.db2.gz	PLPKCOGMXVHZCA-GFCCVEGCSA-N	1	0	307.419	2.333	1	0		DEAFRO
C[NH2+][C@@H]1CCN(c2nc(N)nc3c4cc(F)ccc4sc32)C1	ZINC000073195668	191290064	/nfs/dbraw/zinc/29/00/64/191290064.db2.gz	GOBPOEPRCOWZKN-SECBINFHSA-N	1	0	317.393	2.364	1	0		DEAFRO
C[NH2+]Cc1ccc(-n2cc3cc(Cl)cc(C(N)=O)c3n2)cc1	ZINC000045365950	183501305	/nfs/dbraw/zinc/50/13/05/183501305.db2.gz	RRHIPMGZRDBDIQ-UHFFFAOYSA-N	1	0	314.776	2.497	1	0		DEAFRO
c1n[nH]cc1-c1nnc(N2CCC([NH+]3CCCCC3)CC2)s1	ZINC000066258256	184399220	/nfs/dbraw/zinc/39/92/20/184399220.db2.gz	RPCFJVPSSRRMRE-UHFFFAOYSA-N	1	0	318.450	2.383	1	0		DEAFRO
C[C@H]1Sc2cc(=O)c3cc(F)c(N4CC[NH2+]CC4)cc3n21	ZINC000072178835	191071214	/nfs/dbraw/zinc/07/12/14/191071214.db2.gz	FUNGBOLAQYFHTK-SECBINFHSA-N	1	0	305.378	2.174	1	0		DEAFRO
O=S(=O)(c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1F	ZINC000040378957	183058019	/nfs/dbraw/zinc/05/80/19/183058019.db2.gz	YSRHIYWQVFYPPK-UHFFFAOYSA-N	1	0	305.374	2.347	1	0		DEAFRO
CCC[N@@H+]1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CN(C)C4=O	ZINC000040937782	183148868	/nfs/dbraw/zinc/14/88/68/183148868.db2.gz	PDUUSJJPAUMGTJ-IAGOWNOFSA-N	1	0	300.402	2.370	1	0		DEAFRO
C[C@H]1[C@@H]2Cc3cc(N)c(C(N)=O)cc3[C@@]1(C)CC[N@@H+]2CC1CC1	ZINC000040955271	183151312	/nfs/dbraw/zinc/15/13/12/183151312.db2.gz	YPOOBCHYMBAZRM-AHYKXKOGSA-N	1	0	313.445	2.302	1	0		DEAFRO
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)CC[NH2+]CC2	ZINC000040972253	183153972	/nfs/dbraw/zinc/15/39/72/183153972.db2.gz	QHWXSLUJCJOQFF-UHFFFAOYSA-N	1	0	320.389	2.315	1	0		DEAFRO
Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1C	ZINC000028004882	581091333	/nfs/dbraw/zinc/09/13/33/581091333.db2.gz	UCBZJSRGDHLAOV-UHFFFAOYSA-N	1	0	319.450	2.098	1	0		DEAFRO
CCOCCOCc1cc([C@@H](O)C[NH2+]C(C)(C)C)ccc1O	ZINC000169330616	197742524	/nfs/dbraw/zinc/74/25/24/197742524.db2.gz	ICGNPVBXDNIQPZ-INIZCTEOSA-N	1	0	311.422	2.367	1	0		DEAFRO
C[C@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)C1=CC[N@H+](C)CC1	ZINC000073417802	191315489	/nfs/dbraw/zinc/31/54/89/191315489.db2.gz	VAUAWCMCYOOEPN-CYBMUJFWSA-N	1	0	316.401	2.067	1	0		DEAFRO
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[NH2+]CC3)cc1	ZINC000019672203	182135416	/nfs/dbraw/zinc/13/54/16/182135416.db2.gz	OEWICPPTEKSIBM-UHFFFAOYSA-N	1	0	302.399	2.442	1	0		DEAFRO
O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCN2CCC1CC2	ZINC000023312089	182356783	/nfs/dbraw/zinc/35/67/83/182356783.db2.gz	VLMVMBLYJIYBFN-ZDUSSCGKSA-N	1	0	305.447	2.093	1	0		DEAFRO
CC(C)[NH2+]C[C@H](O)COc1ccccc1[C@@H](C)n1ccnc1	ZINC000040631916	183111636	/nfs/dbraw/zinc/11/16/36/183111636.db2.gz	ROCGJTLBFJZWOT-CABCVRRESA-N	1	0	303.406	2.230	1	0		DEAFRO
C[NH2+]CC[C@@H](c1ccc2cc(OC)ccc2c1)n1nnc(C)n1	ZINC000064373520	184296028	/nfs/dbraw/zinc/29/60/28/184296028.db2.gz	QANXQNKYGWZPJQ-KRWDZBQOSA-N	1	0	311.389	2.342	1	0		DEAFRO
O=C(NCC[NH+]1CCCCC1)Nc1ccc2nnsc2c1	ZINC000095584847	185381763	/nfs/dbraw/zinc/38/17/63/185381763.db2.gz	IZQNCGATJUWOCN-UHFFFAOYSA-N	1	0	305.407	2.299	1	0		DEAFRO
Cn1c2c(c(=[NH+]CCCO)c3ccccc31)[C@@H]1C=CC=C[C@@H]1N2	ZINC000103159114	185436178	/nfs/dbraw/zinc/43/61/78/185436178.db2.gz	WKJFWZFNXGTCGG-HIFRSBDPSA-N	1	0	307.397	2.342	1	0		DEAFRO
COc1ccc2[nH]c3c(c2c1)CCN1OCSC[C@@H]([NH3+])[C@@H]31	ZINC000003782518	181045776	/nfs/dbraw/zinc/04/57/76/181045776.db2.gz	MPFANRNNAVICML-DOMZBBRYSA-N	1	0	305.403	2.039	1	0		DEAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)=O)ccc1OC	ZINC000004626639	181130668	/nfs/dbraw/zinc/13/06/68/181130668.db2.gz	SOQLNFHOYKNPDY-CQSZACIVSA-N	1	0	304.390	2.112	1	0	in-man	DEAFRO
c1ccc(C2(c3ccccc3)COC[C@@H](C3=[NH+]CCN3)O2)cc1	ZINC000073313936	191304224	/nfs/dbraw/zinc/30/42/24/191304224.db2.gz	VMIZIRROPNWIIU-KRWDZBQOSA-N	1	0	308.381	2.347	1	0		DEAFRO
Ic1ccc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cn1	ZINC000005933590	181298162	/nfs/dbraw/zinc/29/81/62/181298162.db2.gz	HFZMLKBIAFLYRM-UTLUCORTSA-N	1	0	300.143	2.294	1	0		DEAFRO
Cc1ccc(C2([n+]3nnnn3CCCc3ccccc3)CC2)cc1	ZINC000038149899	182993781	/nfs/dbraw/zinc/99/37/81/182993781.db2.gz	NUSJZMACDQUCOD-UHFFFAOYSA-N	1	0	320.420	2.439	1	0		DEAFRO
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@@H]2CCCC[N@@H+]2C1	ZINC000039285482	183016121	/nfs/dbraw/zinc/01/61/21/183016121.db2.gz	XVILTQQTMCWFOP-QWRGUYRKSA-N	1	0	323.824	2.287	1	0		DEAFRO
C=C(c1ccccc1OC[C@@H](O)C[NH2+]C(C)C)n1ccnc1	ZINC000040503751	183084144	/nfs/dbraw/zinc/08/41/44/183084144.db2.gz	YBXHNEDYXDOPAQ-HNNXBMFYSA-N	1	0	301.390	2.140	1	0		DEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccccc1[C@@H](C)n1ccnc1	ZINC000040631918	183112029	/nfs/dbraw/zinc/11/20/29/183112029.db2.gz	ROCGJTLBFJZWOT-HUUCEWRRSA-N	1	0	303.406	2.230	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1/C=C/CO	ZINC000040620013	183109702	/nfs/dbraw/zinc/10/97/02/183109702.db2.gz	UURSDZIPLGIDSV-NNTXTVRGSA-N	1	0	313.825	2.473	1	0		DEAFRO
c1cc2c(OCCCN3CC[NH2+]CC3)nc3ccsc3n2c1	ZINC000040894190	183146987	/nfs/dbraw/zinc/14/69/87/183146987.db2.gz	MQSWFVRVDXAXJQ-UHFFFAOYSA-N	1	0	316.430	2.223	1	0		DEAFRO
C[NH2+][C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1	ZINC000040955910	183151435	/nfs/dbraw/zinc/15/14/35/183151435.db2.gz	ZNRXWEGEMFPRJE-CYBMUJFWSA-N	1	0	309.417	2.013	1	0		DEAFRO
C[NH2+]Cc1ccc(-n2nc3c(cccc3C(N)=O)c2Cl)cc1	ZINC000045366426	183501606	/nfs/dbraw/zinc/50/16/06/183501606.db2.gz	QWHFPWNHELQSDQ-UHFFFAOYSA-N	1	0	314.776	2.497	1	0		DEAFRO
C[NH2+]CC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1	ZINC000058592631	184124202	/nfs/dbraw/zinc/12/42/02/184124202.db2.gz	ZLRRLSAVNUFCQT-LBPRGKRZSA-N	1	0	300.193	2.487	1	0		DEAFRO
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2[N@@H+]1Cc1ccc(C)s1	ZINC000059722016	184139998	/nfs/dbraw/zinc/13/99/98/184139998.db2.gz	LCWHWYSPDUIODF-OSRDXIQISA-N	1	0	309.431	2.333	3	0		DEAFRO
O=C1COc2c(N3CC[NH2+]CC3)cccc2N1Cc1ccccc1	ZINC000019944011	134639819	/nfs/dbraw/zinc/63/98/19/134639819.db2.gz	JLQDVDRTBNCXHS-UHFFFAOYSA-N	1	0	323.396	2.022	1	0		DEAFRO
Cc1nc([C@@H](C)Nc2ncnc3c2CC[NH2+]CC3)c(C)s1	ZINC000072438396	191167790	/nfs/dbraw/zinc/16/77/90/191167790.db2.gz	AGVIAYCMDULWGS-SECBINFHSA-N	1	0	303.435	2.411	1	0		DEAFRO
Cc1cc(Nc2ccc(Cl)cc2)n2nc(CC[NH3+])nc2n1	ZINC000073312185	191303196	/nfs/dbraw/zinc/30/31/96/191303196.db2.gz	DJZKXWXRZXYPFU-UHFFFAOYSA-N	1	0	302.769	2.331	1	0		DEAFRO
O=S(=O)(c1ccc2c(c1)C[NH2+]CC2)C(Cl)(Cl)Cl	ZINC000013518456	181857046	/nfs/dbraw/zinc/85/70/46/181857046.db2.gz	RXOZPIZFRIRRDE-UHFFFAOYSA-N	1	0	314.621	2.434	1	0		DEAFRO
CCO[P@@]1(=O)N=C(NC(=[NH2+])N(CC)CC)N(C)C1(C)C	ZINC000018097029	182092960	/nfs/dbraw/zinc/09/29/60/182092960.db2.gz	DSQPGVKMYHNNQV-HXUWFJFHSA-N	1	0	303.347	2.120	1	0		DEAFRO
CC[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)n1c3ccccc3[nH]c1=O)C2	ZINC000026252222	182434468	/nfs/dbraw/zinc/43/44/68/182434468.db2.gz	JXIFDWXYOCRXNH-FUNVUKJBSA-N	1	0	315.373	2.330	1	0		DEAFRO
NC(=O)c1cncc(-c2ccccc2O[C@@H]2C[C@@H]3C[C@H]2C[NH2+]C3)c1	ZINC000058583671	184123753	/nfs/dbraw/zinc/12/37/53/184123753.db2.gz	OUHSMVDDOPDHGW-XAYKYTGQSA-N	1	0	323.396	2.224	1	0		DEAFRO
CN(C)c1nccnc1C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1	ZINC000072367476	191136254	/nfs/dbraw/zinc/13/62/54/191136254.db2.gz	IWDUYFIIBXTTFG-HUUCEWRRSA-N	1	0	304.438	2.026	1	0		DEAFRO
C[NH+](C)Cc1ccnc([C@@H]2CCCN2Cc2ccc(F)cn2)n1	ZINC000257307799	203031395	/nfs/dbraw/zinc/03/13/95/203031395.db2.gz	TUEIVJNTPUSTOS-INIZCTEOSA-N	1	0	315.396	2.409	1	0		DEAFRO
C=C(c1ccc(Cl)cc1OC[C@H](O)C[NH2+]C)n1ccnc1	ZINC000040466127	183072560	/nfs/dbraw/zinc/07/25/60/183072560.db2.gz	RGEZDMFGIWAMIX-CYBMUJFWSA-N	1	0	307.781	2.015	1	0		DEAFRO
Nc1nc2c(oc3cccc(Cl)c32)c(N2C[C@@H]3C[C@H]2C[NH2+]3)n1	ZINC000073170163	191288010	/nfs/dbraw/zinc/28/80/10/191288010.db2.gz	DNHKUTPYKNKPKP-YUMQZZPRSA-N	1	0	315.764	2.162	1	0		DEAFRO
Cc1c2c(c(C)c(C)c1N)O[C@@](C)(C[NH+]1CCN(C)CC1)C2	ZINC000022934323	182341735	/nfs/dbraw/zinc/34/17/35/182341735.db2.gz	DJRAXPXYCLABSD-GOSISDBHSA-N	1	0	303.450	2.135	1	0		DEAFRO
CO[C@H]1C=C[C@@H]2C=C[N@@H+]3C[C@H](O)c4cc5c(cc4[C@@]23C1)OCO5	ZINC000103554215	560051669	/nfs/dbraw/zinc/05/16/69/560051669.db2.gz	FXRJGVXSWOZORB-SJECXTJVSA-N	1	0	313.353	2.078	1	0	biogenic,in-vitro	DEAFRO
CC(=O)O[C@@H]1C[C@H]2[C@H]3CCC[N@H+]4CCC[C@H]1[C@@]34C[C@H](C)[C@@H]2O	ZINC000085505995	560074588	/nfs/dbraw/zinc/07/45/88/560074588.db2.gz	DQWOXVBLNUYKHM-IPFBIDBBSA-N	1	0	307.434	2.200	1	0	biogenic,in-vitro	DEAFRO
CCCOc1cc(C[C@@H]2CNC(=[NH2+])N=C2N)cc(OCCC)c1	ZINC000013757862	181890585	/nfs/dbraw/zinc/89/05/85/181890585.db2.gz	HPNCAZXFCHZMRO-CYBMUJFWSA-N	1	0	318.421	2.108	1	0		DEAFRO
Cc1ccccc1NC(=O)C(=O)C1=C(N)[NH2+]N(c2ccccc2)C1	ZINC000017190805	182079266	/nfs/dbraw/zinc/07/92/66/182079266.db2.gz	KCMLETIBASZIJT-AWEZNQCLSA-N	1	0	322.368	2.121	1	0		DEAFRO
Fc1ccc(F)c(-c2ccnc(N3CC[C@H]4C[NH2+]C[C@H]43)n2)c1	ZINC000040762661	183130520	/nfs/dbraw/zinc/13/05/20/183130520.db2.gz	ORZQOLDNMLDGRD-ZUZCIYMTSA-N	1	0	302.328	2.220	1	0		DEAFRO
O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000040952546	183150495	/nfs/dbraw/zinc/15/04/95/183150495.db2.gz	BOAOVVFZDJYTIC-UHFFFAOYSA-N	1	0	305.374	2.347	1	0		DEAFRO
NC(=[NH2+])[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1	ZINC000058482408	184119865	/nfs/dbraw/zinc/11/98/65/184119865.db2.gz	ISIJLBMFXMIFFH-GOSISDBHSA-N	1	0	308.429	2.309	1	0		DEAFRO
CC1=C[C@H]([C@H]2CCC[N@H+]2CCCC[C@@H]2C[C@@H](C)C(=O)O2)OC1=O	ZINC000058569403	184122673	/nfs/dbraw/zinc/12/26/73/184122673.db2.gz	JLFBHOJKNSFNNB-DTZQCDIJSA-N	1	0	321.417	2.444	1	0		DEAFRO
C(c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1	ZINC000020121582	182189395	/nfs/dbraw/zinc/18/93/95/182189395.db2.gz	NLGPHBIYANUJIV-UHFFFAOYSA-N	1	0	318.469	2.239	3	0		DEAFRO
CCCCC[NH2+]CCNS(=O)(=O)c1cccc2cnccc21	ZINC000027557052	182477593	/nfs/dbraw/zinc/47/75/93/182477593.db2.gz	HVBKHPRGFRWGHJ-UHFFFAOYSA-N	1	0	321.446	2.293	1	0		DEAFRO
Cc1cc(Br)c(N)c(C)c1O[C@@H](C)C1=[NH+]CCN1	ZINC000027714463	182488192	/nfs/dbraw/zinc/48/81/92/182488192.db2.gz	ODFXREFMOBKMNF-VIFPVBQESA-N	1	0	312.211	2.417	1	0		DEAFRO
CC(C)c1n[nH]cc1-c1ccnc(NC2CC[NH+](C)CC2)n1	ZINC000058633320	184125585	/nfs/dbraw/zinc/12/55/85/184125585.db2.gz	YVKZWLZGQQCODL-UHFFFAOYSA-N	1	0	300.410	2.496	1	0	in-vitro	DEAFRO
[NH3+]C1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1	ZINC000066260066	184399253	/nfs/dbraw/zinc/39/92/53/184399253.db2.gz	JPKXJWBKGYESKN-UHFFFAOYSA-N	1	0	322.416	2.396	1	0		DEAFRO
COCC[N@H+](C)C[C@H]1CC[C@@H](Cc2ccc3c(cnn3C)c2)O1	ZINC000072474036	191176513	/nfs/dbraw/zinc/17/65/13/191176513.db2.gz	GESRXVRBFLZQAZ-DLBZAZTESA-N	1	0	317.433	2.242	1	0		DEAFRO
O=C1CC[C@@H]2C[N@H+](CC3CC3)CC[C@@]23c2cccc(O)c2O[C@@H]13	ZINC000013738593	181887676	/nfs/dbraw/zinc/88/76/76/181887676.db2.gz	XPJMFYKZWMSEIT-VMDGZTHMSA-N	1	0	313.397	2.486	1	0		DEAFRO
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000039285484	183016602	/nfs/dbraw/zinc/01/66/02/183016602.db2.gz	XVILTQQTMCWFOP-WDEREUQCSA-N	1	0	323.824	2.287	1	0		DEAFRO
C[NH2+]C[C@@H](O)[C@H](c1ccc(OC)cc1)N(C)c1ccccc1	ZINC000040880381	183146050	/nfs/dbraw/zinc/14/60/50/183146050.db2.gz	BJBCUOODXPAOKN-MSOLQXFVSA-N	1	0	300.402	2.453	1	0		DEAFRO
C[NH2+]CC[C@H](c1ccc2cc(OC)ccc2c1)n1nnc(C)n1	ZINC000058590616	184123989	/nfs/dbraw/zinc/12/39/89/184123989.db2.gz	QANXQNKYGWZPJQ-QGZVFWFLSA-N	1	0	311.389	2.342	1	0		DEAFRO
O=C1CS[C@H](c2ccc(O)cc2)N1CC[NH+]1CCCCC1	ZINC000096928641	185392339	/nfs/dbraw/zinc/39/23/39/185392339.db2.gz	YJWLLMVETFPTCF-MRXNPFEDSA-N	1	0	306.431	2.452	1	0		DEAFRO
CO[C@H]1Cc2c(cnn2C)C2(CC[NH+](CCC(C)C)CC2)O1	ZINC000072116492	191037662	/nfs/dbraw/zinc/03/76/62/191037662.db2.gz	GMHGNFNANZBJCS-MRXNPFEDSA-N	1	0	307.438	2.303	1	0		DEAFRO
CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C)CC1	ZINC000049037101	354357819	/nfs/dbraw/zinc/35/78/19/354357819.db2.gz	YIUWNBCQCZLUCK-INIZCTEOSA-N	1	0	306.450	2.234	1	0		DEAFRO
C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1C	ZINC000006586408	181357891	/nfs/dbraw/zinc/35/78/91/181357891.db2.gz	QGYCWXHMMROHGB-LALPHHSUSA-N	1	0	303.406	2.138	3	0		DEAFRO
COc1ccc(N2N=[O+]C(=O)C2Cn2cnc3ccccc32)cc1	ZINC000098083367	193783434	/nfs/dbraw/zinc/78/34/34/193783434.db2.gz	JVHBOKUJGHTQJJ-UHFFFAOYSA-O	1	0	323.332	2.064	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(/C=C/CO)cc1Cl	ZINC000040465663	183072608	/nfs/dbraw/zinc/07/26/08/183072608.db2.gz	NDHKYURTVMGSDC-MUBLQREKSA-N	1	0	313.825	2.473	1	0		DEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2CC[C@H](C[NH3+])C2)n1	ZINC000073156186	191286163	/nfs/dbraw/zinc/28/61/63/191286163.db2.gz	NTZCDKJSZGHOLV-MRVPVSSYSA-N	1	0	317.780	2.397	1	0		DEAFRO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2ccc3c(c2)OCO3)C1	ZINC000019882175	182159929	/nfs/dbraw/zinc/15/99/29/182159929.db2.gz	VZFXWAWGHQSKOJ-CABCVRRESA-N	1	0	324.380	2.196	1	0		DEAFRO
CCNC(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1	ZINC000022939741	182343533	/nfs/dbraw/zinc/34/35/33/182343533.db2.gz	OUHAZUDWFABOKW-LJQANCHMSA-N	1	0	323.440	2.431	1	0		DEAFRO
CCC[NH+]1CCC(c2nc3c(cccc3C(N)=O)n2C)CC1	ZINC000040861904	183143818	/nfs/dbraw/zinc/14/38/18/183143818.db2.gz	PYCOJOVNVSUACM-UHFFFAOYSA-N	1	0	300.406	2.262	1	0		DEAFRO
C[NH2+]C[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc(OC)c1	ZINC000040879931	183145991	/nfs/dbraw/zinc/14/59/91/183145991.db2.gz	KCFUXTYNOWCQBR-MSOLQXFVSA-N	1	0	300.402	2.453	1	0		DEAFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(OCc2ccccc2)c1	ZINC000013740725	581092205	/nfs/dbraw/zinc/09/22/05/581092205.db2.gz	NWKSIOXQSXRKQV-UHFFFAOYSA-N	1	0	323.400	2.451	1	0		DEAFRO
C[C@H]1CC(=O)NN=C1c1ccc(OCCC[NH+]2CCCC2)cc1	ZINC000073219915	191294241	/nfs/dbraw/zinc/29/42/41/191294241.db2.gz	SMIRNBCIQIPOFS-AWEZNQCLSA-N	1	0	315.417	2.411	1	0		DEAFRO
CN(C)C(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1	ZINC000022939747	182343282	/nfs/dbraw/zinc/34/32/82/182343282.db2.gz	ONJFFIROJUYRLZ-LJQANCHMSA-N	1	0	323.440	2.383	1	0		DEAFRO
O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCN2CCC1CC2	ZINC000023312093	182356748	/nfs/dbraw/zinc/35/67/48/182356748.db2.gz	VLMVMBLYJIYBFN-CYBMUJFWSA-N	1	0	305.447	2.093	1	0		DEAFRO
[NH3+]CCOc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1	ZINC000028136456	182509953	/nfs/dbraw/zinc/50/99/53/182509953.db2.gz	YVCCXIBZEQRHMW-UHFFFAOYSA-N	1	0	316.382	2.216	1	0		DEAFRO
Cc1cc(=O)oc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc12	ZINC000040918271	183147991	/nfs/dbraw/zinc/14/79/91/183147991.db2.gz	AEMRYWAFELZCQN-AWEZNQCLSA-N	1	0	317.385	2.327	1	0		DEAFRO
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CC[NH2+]CC2	ZINC000040954086	183150418	/nfs/dbraw/zinc/15/04/18/183150418.db2.gz	VHZRORPQUNCOCZ-UHFFFAOYSA-N	1	0	302.399	2.176	1	0		DEAFRO
CC(C)C[C@@H]([NH3+])C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl	ZINC000058575577	184122869	/nfs/dbraw/zinc/12/28/69/184122869.db2.gz	RADQDLRYXIUSGX-GFCCVEGCSA-N	1	0	307.781	2.493	1	0		DEAFRO
Cc1ccc(C[NH+]2C[C@H]3CN(c4ncc(F)cn4)C[C@@H]3C2)cc1	ZINC000299842545	257103995	/nfs/dbraw/zinc/10/39/95/257103995.db2.gz	RONMMDDOUFSMFS-HOTGVXAUSA-N	1	0	312.392	2.492	1	0		DEAFRO
[NH3+][C@H]1CN(c2ncccn2)CC[C@@H]1c1cc(F)c(F)cc1F	ZINC000028707323	134671436	/nfs/dbraw/zinc/67/14/36/134671436.db2.gz	ZDNRVFMYGDOTMF-OTYXRUKQSA-N	1	0	308.307	2.215	1	0		DEAFRO
Cc1cccc(-c2nc(C[NH3+])cn2-c2ccc3c(c2)OCO3)n1	ZINC000096933787	185392863	/nfs/dbraw/zinc/39/28/63/185392863.db2.gz	CQZDUUBTJJHSER-UHFFFAOYSA-N	1	0	308.341	2.430	1	0		DEAFRO
O=C1CCC(c2ccc(OCCC[NH+]3CCCC3)cc2)=NN1	ZINC000073222781	191294636	/nfs/dbraw/zinc/29/46/36/191294636.db2.gz	YYRZMPMUNUDJOE-UHFFFAOYSA-N	1	0	301.390	2.165	1	0		DEAFRO
CCCn1c(=O)c2ccccc2nc1[C@@H](CC)N1CC[NH2+]CC1	ZINC000022468640	182323036	/nfs/dbraw/zinc/32/30/36/182323036.db2.gz	KNJGZAAVXRTGMM-MRXNPFEDSA-N	1	0	314.433	2.163	1	0		DEAFRO
CN(CCCc1ccccc1)Cc1cn(C2CC[NH2+]CC2)nn1	ZINC000023251509	182354497	/nfs/dbraw/zinc/35/44/97/182354497.db2.gz	JFYIRDDBSAZISI-UHFFFAOYSA-N	1	0	313.449	2.267	1	0		DEAFRO
CCOCCn1c2ccccc2nc1N1CC[C@H]([NH+](C)C)C1	ZINC000049054169	183707367	/nfs/dbraw/zinc/70/73/67/183707367.db2.gz	VILNAIPEYFWQQH-AWEZNQCLSA-N	1	0	302.422	2.213	1	0		DEAFRO
COc1c2c(cc3c1C[N@H+]1CC[C@]34C=C[C@H](OC)C[C@@H]14)OCO2	ZINC000005519015	560202315	/nfs/dbraw/zinc/20/23/15/560202315.db2.gz	RNEXSBPDDRJJIY-BKGUAONASA-N	1	0	315.369	2.225	1	0	biogenic,in-vitro	DEAFRO
COc1ccc(OC)c(C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)c1	ZINC000001654816	581096088	/nfs/dbraw/zinc/09/60/88/581096088.db2.gz	YGCBRLOKQASAIE-JTQLQIEISA-N	1	0	314.389	2.006	1	0		DEAFRO
O=C1C[C@@H](C[NH2+]Cc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000096900528	185390472	/nfs/dbraw/zinc/39/04/72/185390472.db2.gz	VKVWBCLQDKLPQZ-KRWDZBQOSA-N	1	0	308.381	2.352	1	0		DEAFRO
CSCC[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	ZINC000002001452	180905322	/nfs/dbraw/zinc/90/53/22/180905322.db2.gz	BFYKBJWERQHVGB-UHFFFAOYSA-N	1	0	322.502	2.063	1	0		DEAFRO
[NH3+]CCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21	ZINC000019723714	182139674	/nfs/dbraw/zinc/13/96/74/182139674.db2.gz	AIHYRVVMMSIZRM-UHFFFAOYSA-N	1	0	300.383	2.433	1	0	in-vivo	DEAFRO
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2C1	ZINC000026651311	182448135	/nfs/dbraw/zinc/44/81/35/182448135.db2.gz	CXRZQTPRIWKZAG-IBGZPJMESA-N	1	0	324.424	2.464	1	0		DEAFRO
NC(=O)c1cccc2[nH]c([C@]3([NH3+])CCc4ccccc4C3)nc21	ZINC000040934800	183149148	/nfs/dbraw/zinc/14/91/48/183149148.db2.gz	KFCGQVDSANSMGG-SFHVURJKSA-N	1	0	306.369	2.005	1	0		DEAFRO
CCCN1CCN(Cc2ccccc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000058627275	184125520	/nfs/dbraw/zinc/12/55/20/184125520.db2.gz	VYDKGPCAAMBPOC-MRXNPFEDSA-N	1	0	320.868	2.238	1	0		DEAFRO
[NH3+][C@H](CO)c1csc(Nc2ccc(C(F)(F)F)cn2)n1	ZINC000061908090	184194753	/nfs/dbraw/zinc/19/47/53/184194753.db2.gz	JPMXHECAMALSDE-SSDOTTSWSA-N	1	0	304.297	2.293	3	0		DEAFRO
CCNc1nc2c(cccc2C(=O)N[C@@H]2C[NH+]3CCC2CC3)o1	ZINC000064512215	184298811	/nfs/dbraw/zinc/29/88/11/184298811.db2.gz	IMXFSNJHDBFECE-CYBMUJFWSA-N	1	0	314.389	2.084	1	0		DEAFRO
CCC(CC)C[C@H]1C[N@H+](Cc2c[nH]c3c2ncnc3N)C[C@@H]1O	ZINC000064574023	184300624	/nfs/dbraw/zinc/30/06/24/184300624.db2.gz	VQEXADMJUBNECC-JSGCOSHPSA-N	1	0	317.437	2.159	1	0		DEAFRO
C[NH+]1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)C[C@@H]2C1	ZINC000082149860	192362133	/nfs/dbraw/zinc/36/21/33/192362133.db2.gz	GPAWMBTXORTPEY-STQMWFEESA-N	1	0	319.408	2.478	1	0		DEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2C[C@@H]3C[C@H]2C[NH2+]3)n1	ZINC000073156203	191286355	/nfs/dbraw/zinc/28/63/55/191286355.db2.gz	PBVFJBBINVIEIG-IUCAKERBSA-N	1	0	315.764	2.162	1	0		DEAFRO
c1ccc(C2(c3ccccc3)CO[C@H](C3=[NH+]CCN3)CO2)cc1	ZINC000073297094	191302399	/nfs/dbraw/zinc/30/23/99/191302399.db2.gz	GTRWYVABSCIMJN-KRWDZBQOSA-N	1	0	308.381	2.347	1	0		DEAFRO
C[C@@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)C1=CC[N@H+](C)CC1	ZINC000073417801	191315170	/nfs/dbraw/zinc/31/51/70/191315170.db2.gz	VAUAWCMCYOOEPN-ZDUSSCGKSA-N	1	0	316.401	2.067	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1CCC(=O)N2	ZINC000005353194	181233625	/nfs/dbraw/zinc/23/36/25/181233625.db2.gz	TVZJLAKRXHGVOK-SNVBAGLBSA-N	1	0	308.378	2.054	1	0	world	DEAFRO
C[C@H]1Cn2c(=O)[nH]c3cc(N(C)C)cc(c32)C[N@@H+]1CC1CC1	ZINC000005930150	181297372	/nfs/dbraw/zinc/29/73/72/181297372.db2.gz	JAPMWTTXDPMOLU-NSHDSACASA-N	1	0	300.406	2.010	1	0		DEAFRO
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CC[NH2+]CC1)O2	ZINC000022934153	182342043	/nfs/dbraw/zinc/34/20/43/182342043.db2.gz	GTJPLTNQCUVJMB-SFHVURJKSA-N	1	0	304.434	2.306	1	0		DEAFRO
COc1ccc([C@@H](CN2CC[NH2+]CC2)C2(O)CCCCC2)cc1	ZINC000040894857	183147373	/nfs/dbraw/zinc/14/73/73/183147373.db2.gz	WOVYVTANZSOFJK-GOSISDBHSA-N	1	0	318.461	2.379	1	0	in-vitro	DEAFRO
CC(C)n1c2ccccc2cc(C(=O)NC2CC[NH2+]CC2)c1=O	ZINC000042920298	183318633	/nfs/dbraw/zinc/31/86/33/183318633.db2.gz	YZRZCKQQPNCBIM-UHFFFAOYSA-N	1	0	313.401	2.064	1	0		DEAFRO
O=C1NCC[C@]12C[N@H+](Cc1cccnc1)C[C@@H]2c1ccccc1	ZINC000299841863	257103671	/nfs/dbraw/zinc/10/36/71/257103671.db2.gz	ANMLOQZLBDXBLT-IEBWSBKVSA-N	1	0	307.397	2.187	1	0		DEAFRO
COc1cc2c(cc1OC)[C@]13C[C@@H](O)CCC1=CC[N@@H+]3CC2	ZINC000084153814	560046274	/nfs/dbraw/zinc/04/62/74/560046274.db2.gz	JLDPNTRSEOSACQ-KSSFIOAISA-N	1	0	301.386	2.242	1	0	biogenic,in-vitro	DEAFRO
CC(=O)O[C@H]1C=C[C@@]23CC[N@@H+](C)Cc4ccc(O)c(c42)O[C@H]3C1	ZINC000038355820	560086115	/nfs/dbraw/zinc/08/61/15/560086115.db2.gz	LBXRKDGNBSYDML-YEWWUXTCSA-N	1	0	315.369	2.118	1	0	biogenic,in-vitro	DEAFRO
O=[N+]1C(c2ccco2)=C(c2ccco2)N(O)[C@@H]2CCCC[C@@H]21	ZINC000003764256	181045324	/nfs/dbraw/zinc/04/53/24/181045324.db2.gz	PKVBZGWCRHXEDN-TXEJJXNPSA-N	1	0	300.314	2.496	2	0		DEAFRO
COc1cc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc(OC)c1O	ZINC000004012416	181062328	/nfs/dbraw/zinc/06/23/28/181062328.db2.gz	HDZDEQQWQJQJPK-VMGRFDJRSA-N	1	0	307.390	2.365	1	0		DEAFRO
C[C@H]1[C@H]([NH2+]CC(=O)Nc2ccc(C(N)=O)cc2)CCC[C@@H]1C	ZINC000006587860	181357659	/nfs/dbraw/zinc/35/76/59/181357659.db2.gz	QGYCWXHMMROHGB-YWPYICTPSA-N	1	0	303.406	2.138	1	0		DEAFRO
Nc1c(C(=O)c2cccc(CC[NH3+])c2)cnn1-c1ccc(F)cc1	ZINC000013683021	181878429	/nfs/dbraw/zinc/87/84/29/181878429.db2.gz	PGYCOFUREUQZPC-UHFFFAOYSA-N	1	0	324.359	2.326	1	0		DEAFRO
Cn1nc2ccccc2c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C	ZINC000022056359	182306753	/nfs/dbraw/zinc/30/67/53/182306753.db2.gz	INMQDEMSQWWCSB-AGUYFDCRSA-N	1	0	312.417	2.318	1	0		DEAFRO
C[N@@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccccc3)CCO2)C1	ZINC000040874792	183145395	/nfs/dbraw/zinc/14/53/95/183145395.db2.gz	VMNUGITWBHMUOY-MRXNPFEDSA-N	1	0	317.458	2.346	1	0		DEAFRO
CC(C)N1CCN(Cc2ccccc2Cl)C[C@@H]1C1=[NH+]CCN1	ZINC000055906552	184000500	/nfs/dbraw/zinc/00/05/00/184000500.db2.gz	OBKIGGDUFSSLNW-MRXNPFEDSA-N	1	0	320.868	2.236	1	0		DEAFRO
COc1cc([C@@H](OC)[C@H](C)[NH3+])ccc1I	ZINC000064539492	184299097	/nfs/dbraw/zinc/29/90/97/184299097.db2.gz	QFGJORGKDYOEFR-CPCISQLKSA-N	1	0	321.158	2.335	1	0		DEAFRO
CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1	ZINC000299841898	257103936	/nfs/dbraw/zinc/10/39/36/257103936.db2.gz	BFPGFQDWCSHIEG-STQMWFEESA-N	1	0	314.476	2.241	1	0		DEAFRO
Cc1[nH+]c(N)nc(N)c1NC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000027425005	581093253	/nfs/dbraw/zinc/09/32/53/581093253.db2.gz	DVMGYNDSEAONDP-UHFFFAOYSA-N	1	0	301.394	2.104	1	0		DEAFRO
Cc1cc(N2CC[NH2+]CC2)n2nc(-c3cccc(F)c3)cc2n1	ZINC000072140809	191048813	/nfs/dbraw/zinc/04/88/13/191048813.db2.gz	FKVLGYWKOOHRMW-UHFFFAOYSA-N	1	0	311.364	2.253	1	0		DEAFRO
COc1ccc2c(c1)oc(=O)c1c2CCN(C[C@H](C)[NH+](C)C)C1	ZINC000027741406	182489491	/nfs/dbraw/zinc/48/94/91/182489491.db2.gz	YIMVITZGVFEHIP-LBPRGKRZSA-N	1	0	316.401	2.110	1	0		DEAFRO
CCOC(=O)c1cnc(C[NH+](C)C)c2cc(OC)c(OC)cc12	ZINC000029321105	182559703	/nfs/dbraw/zinc/55/97/03/182559703.db2.gz	WLVPDQOOSPCTLT-UHFFFAOYSA-N	1	0	318.373	2.490	1	0		DEAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)c(C)cc(O)c1OC	ZINC000064447503	184297597	/nfs/dbraw/zinc/29/75/97/184297597.db2.gz	WRNAXPBXLHSIHF-ZDUSSCGKSA-N	1	0	306.406	2.232	1	0		DEAFRO
COc1ccc2c3c1O[C@@H]1[C@@H](OC)C=C[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000256080887	257133071	/nfs/dbraw/zinc/13/30/71/257133071.db2.gz	HGPQAWTZLJXCTC-ZGPDXJMCSA-N	1	0	313.397	2.155	1	0	endogenous,in-man	DEAFRO
CCCS(=O)(=O)N(C)[C@@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1	ZINC000014953370	560227807	/nfs/dbraw/zinc/22/78/07/560227807.db2.gz	LJPDFKRYOKWXMQ-WBVHZDCISA-N	1	0	322.474	2.420	1	0	in-vitro	DEAFRO
COc1ccc2c3c1O[C@@H]1[C@@H](OC)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000040422208	574414669	/nfs/dbraw/zinc/41/46/69/574414669.db2.gz	HGPQAWTZLJXCTC-UPCNGNSLSA-N	1	0	313.397	2.155	1	0	endogenous,in-man	DEAFRO
CC[NH+](CC)CC(=O)NCc1cc(-c2ccc(O)cc2)no1	ZINC000095554762	185379610	/nfs/dbraw/zinc/37/96/10/185379610.db2.gz	RVBJSLNDNZBTTJ-UHFFFAOYSA-N	1	0	303.362	2.005	1	0		DEAFRO
c1ccc(Nc2nc3c(ncnc3N3CC[NH2+]CC3)s2)cc1	ZINC000103287377	185444502	/nfs/dbraw/zinc/44/45/02/185444502.db2.gz	UIOXTFHJUQBRAP-UHFFFAOYSA-N	1	0	312.402	2.240	1	0		DEAFRO
CC(C)C[N@@H+]1CCCC2(CCN(C(=O)c3cnccn3)CC2)C1	ZINC000003955897	181058896	/nfs/dbraw/zinc/05/88/96/181058896.db2.gz	GIEMJBFAAKUOLB-UHFFFAOYSA-N	1	0	316.449	2.451	1	0		DEAFRO
COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)Nc1ccccc1)[N@@H+]2C	ZINC000005599972	181262267	/nfs/dbraw/zinc/26/22/67/181262267.db2.gz	BBRZZTAAAPVISM-QPSCCSFWSA-N	1	0	318.373	2.259	1	0		DEAFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1/C=C/CO	ZINC000040620017	183110158	/nfs/dbraw/zinc/11/01/58/183110158.db2.gz	UURSDZIPLGIDSV-ISZGNANSSA-N	1	0	313.825	2.473	1	0		DEAFRO
COC(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1	ZINC000022939717	182343444	/nfs/dbraw/zinc/34/34/44/182343444.db2.gz	MGBUATLXUGLLFO-GOSISDBHSA-N	1	0	310.397	2.468	1	0		DEAFRO
CCn1cnc2c1nc(NCC[NH3+])nc2Nc1ccc(F)cc1	ZINC000028019402	182505524	/nfs/dbraw/zinc/50/55/24/182505524.db2.gz	UWAPZEZKRLPWNK-UHFFFAOYSA-N	1	0	315.356	2.100	1	0		DEAFRO
[NH3+]C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1	ZINC000040863434	183144602	/nfs/dbraw/zinc/14/46/02/183144602.db2.gz	FYTZKICGKGCOFE-HZPDHXFCSA-N	1	0	321.808	2.240	1	0		DEAFRO
CC[NH2+]C[C@@H]1CNc2c3cc(OC)ccc3sc2C(=O)N1	ZINC000043011721	183327491	/nfs/dbraw/zinc/32/74/91/183327491.db2.gz	XOXRXPXQHFMGSV-SECBINFHSA-N	1	0	305.403	2.043	1	0		DEAFRO
C[NH2+]CC[C@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1	ZINC000058581969	184123743	/nfs/dbraw/zinc/12/37/43/184123743.db2.gz	ZLRRLSAVNUFCQT-GFCCVEGCSA-N	1	0	300.193	2.487	1	0		DEAFRO
[NH3+][C@H]1CC[C@@H](C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)C1	ZINC000058590456	184124046	/nfs/dbraw/zinc/12/40/46/184124046.db2.gz	IHRGTBNHKIUULE-ZJUUUORDSA-N	1	0	305.765	2.247	1	0		DEAFRO
COc1cc2c(cc1O)C[N@@H+]1CCC3=CC[C@@H](OC(C)=O)[C@@H]2[C@@H]31	ZINC000014660551	560224133	/nfs/dbraw/zinc/22/41/33/560224133.db2.gz	LSBMSYLHJUUWMU-KBAYOESNSA-N	1	0	315.369	2.334	1	0	biogenic,in-vitro	DEAFRO
CC(C)C[N@@H+]1CC[C@H](c2nc3c([nH]2)C(=O)NCC(C)(C)C3)C1	ZINC000095370385	625662636	/nfs/dbraw/zinc/66/26/36/625662636.db2.gz	GISCXAKAHYNHGO-LBPRGKRZSA-N	1	0	304.438	2.167	1	0		DEAFRO
CC[NH+](CC)CC(=O)NCc1cc(-c2ccccc2OC)no1	ZINC000095553068	185379310	/nfs/dbraw/zinc/37/93/10/185379310.db2.gz	JMNJVDBKYKXYSL-UHFFFAOYSA-N	1	0	317.389	2.308	1	0		DEAFRO
COc1ccc2c3c1O[C@H]1C(=O)[C@@H](C)C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000040670684	183115460	/nfs/dbraw/zinc/11/54/60/183115460.db2.gz	IEBITTOKLTXHMN-RXPWQILFSA-N	1	0	313.397	2.179	1	0		DEAFRO
COc1ccc2cc([C@H](CC[NH+](C)C)n3ncnn3)ccc2c1	ZINC000058592632	184124258	/nfs/dbraw/zinc/12/42/58/184124258.db2.gz	SLSGGVPSCGVWNP-KRWDZBQOSA-N	1	0	311.389	2.376	1	0		DEAFRO
CC(=O)O[C@H]1C=C[C@@]23CC[N@H+](Cc4cc5c(cc42)OCO5)[C@@H]3C1	ZINC000005166394	560201126	/nfs/dbraw/zinc/20/11/26/560201126.db2.gz	YEIGSYFTXGPBIB-MORSLUCNSA-N	1	0	313.353	2.133	1	0	biogenic,in-vitro	DEAFRO
CC(C)[NH+]1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)cn2)CC1	ZINC000082149840	192361440	/nfs/dbraw/zinc/36/14/40/192361440.db2.gz	CXZTWVPHXXMUCS-UHFFFAOYSA-N	1	0	314.389	2.496	1	0		DEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2CC[C@@H]([NH3+])C2)n1	ZINC000073158900	191286397	/nfs/dbraw/zinc/28/63/97/191286397.db2.gz	BIWBFVHEFLGFNR-MRVPVSSYSA-N	1	0	303.753	2.149	1	0		DEAFRO
O=S(=O)(c1ccccc1)c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21	ZINC000073387910	191310408	/nfs/dbraw/zinc/31/04/08/191310408.db2.gz	XQMQGYSMGFFZSH-RDJZCZTQSA-N	1	0	315.394	2.357	1	0		DEAFRO
NC(=[NH2+])c1ccc(NC(=O)C2NN=C(c3ccccc3)C2=O)cc1	ZINC000040564697	183103288	/nfs/dbraw/zinc/10/32/88/183103288.db2.gz	ZEMJVSVGGIHLIF-UHFFFAOYSA-N	1	0	321.340	2.319	1	0		DEAFRO
C[NH+]1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1	ZINC000066102665	184389868	/nfs/dbraw/zinc/38/98/68/184389868.db2.gz	UEJDOVNKYDKYKN-UHFFFAOYSA-N	1	0	310.361	2.262	1	0		DEAFRO
O=C1Nc2ccccc2[C@@]12C[NH2+][C@@H](CNCc1ccccc1)C2	ZINC000095576339	185380862	/nfs/dbraw/zinc/38/08/62/185380862.db2.gz	SPJMWJKOUJIOAD-DNVCBOLYSA-N	1	0	307.397	2.028	1	0		DEAFRO
CS(=O)(=O)N1CCC[C@@H]2C[N@@H+]3CCc4ccccc4[C@@H]3C[C@@H]21	ZINC000003784951	181045814	/nfs/dbraw/zinc/04/58/14/181045814.db2.gz	VMXHRWVVRCYCLY-PVAVHDDUSA-N	1	0	320.458	2.030	1	0		DEAFRO
O=C(c1ccco1)N1CCC2(C[NH+](Cc3ccncc3)C2)CC1	ZINC000003955788	181059039	/nfs/dbraw/zinc/05/90/39/181059039.db2.gz	RNOMAJPQAIPWGT-UHFFFAOYSA-N	1	0	311.385	2.413	1	0		DEAFRO
C[NH+](C)CCN1c2cccnc2N(C2CC2)c2ncccc2C1=O	ZINC000005848634	181289244	/nfs/dbraw/zinc/28/92/44/181289244.db2.gz	BSEQOYYUIYKPFF-UHFFFAOYSA-N	1	0	323.400	2.299	1	0		DEAFRO
NC(=O)c1cccc2cn(-c3ccc(C[NH2+]CCF)cc3)nc21	ZINC000049088288	183711642	/nfs/dbraw/zinc/71/16/42/183711642.db2.gz	IEEWPQHRKIRYGC-UHFFFAOYSA-N	1	0	312.348	2.184	1	0		DEAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)ccc(O)c1OC	ZINC000064436421	184296667	/nfs/dbraw/zinc/29/66/67/184296667.db2.gz	YRWFDYLZHYEKFL-JTQLQIEISA-N	1	0	312.797	2.268	1	0		DEAFRO
CC(C)[N@H+](C[C@@H]1CSCCS(=O)(=O)N1)C1CCCCC1	ZINC000072136557	191046178	/nfs/dbraw/zinc/04/61/78/191046178.db2.gz	ATSHUIKJJQAROT-CYBMUJFWSA-N	1	0	320.524	2.064	3	0		DEAFRO
Cc1cc(Nc2cccc(Cl)c2)n2nc(OCC[NH3+])nc2n1	ZINC000073294827	191301270	/nfs/dbraw/zinc/30/12/70/191301270.db2.gz	QUDUHKFNQCSGIX-UHFFFAOYSA-N	1	0	318.768	2.167	1	0		DEAFRO
COc1cccc(C[C@@](O)(c2ccccc2)[C@@H]2C[NH2+]CCO2)c1	ZINC000040763437	183130779	/nfs/dbraw/zinc/13/07/79/183130779.db2.gz	NQBLHHIYFYAVRB-RBUKOAKNSA-N	1	0	313.397	2.114	1	0		DEAFRO
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCC[N@@H+]2CCC[C@@H]12	ZINC000058555438	184122166	/nfs/dbraw/zinc/12/21/66/184122166.db2.gz	ZWGFKYGNVXESIP-KBPBESRZSA-N	1	0	323.824	2.287	1	0		DEAFRO
C[NH+](C)CCCNC(=O)c1cccc(-c2cnc3cccnn32)c1	ZINC000061926758	184196290	/nfs/dbraw/zinc/19/62/90/184196290.db2.gz	ZZBDQXSRECAFLB-UHFFFAOYSA-N	1	0	323.400	2.078	3	0		DEAFRO
O=C1Nc2ccccc2[C@@]12C[NH2+][C@@H](COCc1ccccc1)C2	ZINC000095575805	185380567	/nfs/dbraw/zinc/38/05/67/185380567.db2.gz	LTDPBQIVQAJXFB-DNVCBOLYSA-N	1	0	308.381	2.455	1	0		DEAFRO
CC(C)[C@H]1CN(c2cccc(-c3[nH]nc4ncccc43)n2)CC[NH2+]1	ZINC000095583860	185381147	/nfs/dbraw/zinc/38/11/47/185381147.db2.gz	WVLMGPVSSPPHSJ-OAHLLOKOSA-N	1	0	322.416	2.454	1	0		DEAFRO
COCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000004388487	181105768	/nfs/dbraw/zinc/10/57/68/181105768.db2.gz	BSEMGHWNBOAXMN-ALOPSCKCSA-N	1	0	302.418	2.335	3	0		DEAFRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC(=O)N1C(C)C	ZINC000004676518	181135450	/nfs/dbraw/zinc/13/54/50/181135450.db2.gz	MGRYODOYTBAHBE-CVEARBPZSA-N	1	0	323.481	2.157	1	0		DEAFRO
[NH3+][C@@H](CO)c1csc(Nc2ccc(C(F)(F)F)cn2)n1	ZINC000061908091	184194511	/nfs/dbraw/zinc/19/45/11/184194511.db2.gz	JPMXHECAMALSDE-ZETCQYMHSA-N	1	0	304.297	2.293	3	0		DEAFRO
CC[NH+](CC)C[C@@H](Cn1cncn1)NCc1ccc(Cl)cc1	ZINC000066098844	184389312	/nfs/dbraw/zinc/38/93/12/184389312.db2.gz	LXHMUOLCWYMGON-INIZCTEOSA-N	1	0	321.856	2.432	1	0		DEAFRO
C[NH+](C)CCn1c2ccccc2nc1Cn1nnc2ccccc21	ZINC000000025531	180670560	/nfs/dbraw/zinc/67/05/60/180670560.db2.gz	WJMMGKVAOZZIMM-UHFFFAOYSA-N	1	0	320.400	2.391	1	0		DEAFRO
C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(N)=O)cc1	ZINC000006587795	181358206	/nfs/dbraw/zinc/35/82/06/181358206.db2.gz	QGYCWXHMMROHGB-ZOWXZIJZSA-N	1	0	303.406	2.138	1	0		DEAFRO
O=c1[nH]c2ccc3c(c2[nH]1)O[C@H](C[NH2+]Cc1ccccc1)CC3	ZINC000013586900	181865688	/nfs/dbraw/zinc/86/56/88/181865688.db2.gz	NJDDOYGAHXQMEQ-AWEZNQCLSA-N	1	0	309.369	2.340	1	0		DEAFRO
CCC[N@@H+]1C[C@H]2C(=O)CC[C@@H]1CN2Cc1ccc(OC)cc1	ZINC000040892266	183146439	/nfs/dbraw/zinc/14/64/39/183146439.db2.gz	VXAKKTBGYHRHTJ-WBVHZDCISA-N	1	0	302.418	2.323	1	0		DEAFRO
O=c1[nH]c2cccc(N3CC[NH+](Cc4ccccc4)CC3)c2[nH]1	ZINC000026648578	633406082	/nfs/dbraw/zinc/40/60/82/633406082.db2.gz	MKJHGVZTPBBKML-UHFFFAOYSA-N	1	0	308.385	2.178	1	0		DEAFRO
COc1cccc(N2CCN([C@@H]3C[NH+]4CCC3CC4)C2=O)c1	ZINC000003782649	181046154	/nfs/dbraw/zinc/04/61/54/181046154.db2.gz	QPVQJOFSWMSOFS-MRXNPFEDSA-N	1	0	301.390	2.031	1	0		DEAFRO
CCn1cc(C2=[NH+]CCN2)c(=O)c2ccc(-c3ccncc3)cc21	ZINC000005848327	181289120	/nfs/dbraw/zinc/28/91/20/181289120.db2.gz	VAKKPMHBQGXXNS-UHFFFAOYSA-N	1	0	318.380	2.433	1	0		DEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc(SCn2cccn2)cc1	ZINC000027556036	182477585	/nfs/dbraw/zinc/47/75/85/182477585.db2.gz	XFYYMQBDFLUXDW-CQSZACIVSA-N	1	0	321.446	2.371	1	0		DEAFRO
[NH3+]CCCCCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O	ZINC000027562777	182480124	/nfs/dbraw/zinc/48/01/24/182480124.db2.gz	VAAVNUJVSGGTSF-GOSISDBHSA-N	1	0	300.402	2.149	1	0		DEAFRO
CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)/C=C\c3ccccc3)C[C@@H]1[NH2+]2	ZINC000028525984	182527485	/nfs/dbraw/zinc/52/74/85/182527485.db2.gz	CCOMGSUMGPUTGC-ZRZDLQTASA-N	1	0	315.369	2.068	1	0		DEAFRO
CCC[N@@H+]1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCOC4=O	ZINC000040943303	183149872	/nfs/dbraw/zinc/14/98/72/183149872.db2.gz	DWMRSXBZEPRVJO-IAGOWNOFSA-N	1	0	301.386	2.498	1	0		DEAFRO
CC(C)n1nc(C(=O)NCC2CC[NH2+]CC2)c2ccccc21	ZINC000042922122	183318036	/nfs/dbraw/zinc/31/80/36/183318036.db2.gz	CRKKBLJOBGERJR-UHFFFAOYSA-N	1	0	300.406	2.347	1	0		DEAFRO
O=C1NCC[C@]12C[N@H+](Cc1ccncc1)C[C@@H]2c1ccccc1	ZINC000299841822	257103403	/nfs/dbraw/zinc/10/34/03/257103403.db2.gz	SDCOGAMHOURQCS-IEBWSBKVSA-N	1	0	307.397	2.187	1	0		DEAFRO
Cc1cccc(CN2CC[N@@H+]3C[C@H](Oc4cccnc4)C[C@@H]3C2)n1	ZINC000299841844	257103997	/nfs/dbraw/zinc/10/39/97/257103997.db2.gz	ADRKAIAEQXYDQU-IEBWSBKVSA-N	1	0	324.428	2.123	1	0		DEAFRO
O=C1CS[C@@H](c2ccc(O)cc2)N1CC[NH+]1CCCCC1	ZINC000096928642	185392292	/nfs/dbraw/zinc/39/22/92/185392292.db2.gz	YJWLLMVETFPTCF-INIZCTEOSA-N	1	0	306.431	2.452	1	0		DEAFRO
C[NH+](C)CC[C@@]12c3c4c(O)ccc3CC[C@@H]1CC[C@H](O)[C@@H]2O4	ZINC000096940473	185393186	/nfs/dbraw/zinc/39/31/86/185393186.db2.gz	BSNCDUMDAXEXHM-GLFJAGTFSA-N	1	0	303.402	2.060	1	0		DEAFRO
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@H+]2CCC[C@H]12	ZINC000003790776	181045941	/nfs/dbraw/zinc/04/59/41/181045941.db2.gz	GAYSOZKZPOVDSB-IINYFYTJSA-N	1	0	323.824	2.145	1	0		DEAFRO
c1ccc(N2CC[NH+](CCc3nc4ccccc4[nH]3)CC2)nc1	ZINC000013581158	181865072	/nfs/dbraw/zinc/86/50/72/181865072.db2.gz	SGQINIGEEAYUDC-UHFFFAOYSA-N	1	0	307.401	2.323	1	0		DEAFRO
[NH3+]C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1	ZINC000029560233	182570266	/nfs/dbraw/zinc/57/02/66/182570266.db2.gz	WMOLJGDKFGEPJJ-CYBMUJFWSA-N	1	0	311.337	2.158	1	0		DEAFRO
O=C1NCC[C@]12C[N@H+](Cc1nccs1)C[C@@H]2c1ccccc1	ZINC000299842011	257104037	/nfs/dbraw/zinc/10/40/37/257104037.db2.gz	IIDNWWGGHMTNKO-RHSMWYFYSA-N	1	0	313.426	2.249	1	0		DEAFRO
COc1ccc2c3c1O[C@@H]1[C@H](OC)C=C[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000002383187	574411836	/nfs/dbraw/zinc/41/18/36/574411836.db2.gz	HGPQAWTZLJXCTC-SIKVJHAASA-N	1	0	313.397	2.155	1	0	endogenous,in-man	DEAFRO
Cc1cccc(NC(=O)c2cncc(N3C[C@H]4C[NH2+]C[C@H]4C3)c2)c1	ZINC000073157173	191285849	/nfs/dbraw/zinc/28/58/49/191285849.db2.gz	CHTSJDWGPXNYCW-IYBDPMFKSA-N	1	0	322.412	2.298	1	0		DEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2CC[NH2+]CC2)n1	ZINC000073158896	191286249	/nfs/dbraw/zinc/28/62/49/191286249.db2.gz	NDLXJQFLHYWQSI-UHFFFAOYSA-N	1	0	303.753	2.021	1	0		DEAFRO
[NH3+][C@@H](Cc1ccc(-c2ccccn2)cc1)C(=O)N1CCSC1	ZINC000014947637	181977277	/nfs/dbraw/zinc/97/72/77/181977277.db2.gz	FTKQKMKIXLDMPZ-HNNXBMFYSA-N	1	0	313.426	2.151	1	0		DEAFRO
CCOC(=O)c1cnc(C[NH3+])c2cc(OCC)c(OC)cc12	ZINC000029339945	182561146	/nfs/dbraw/zinc/56/11/46/182561146.db2.gz	VZJJQOKUHVHPEW-UHFFFAOYSA-N	1	0	304.346	2.278	1	0		DEAFRO
CCC[NH2+]C[C@@H]1CNc2c3cc(OC)ccc3sc2C(=O)N1	ZINC000042923243	183319216	/nfs/dbraw/zinc/31/92/16/183319216.db2.gz	FHYKOYKLHAIARC-SNVBAGLBSA-N	1	0	319.430	2.433	1	0		DEAFRO
C[C@H]1Cc2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2O1	ZINC000026940115	401842808	/nfs/dbraw/zinc/84/28/08/401842808.db2.gz	XUKAXJRMTFYJKW-PRTUASRFSA-N	1	0	300.402	2.365	1	0		DEAFRO
COc1ccc(-c2nnc(N3CC[N@@H+]4CCC[C@H]4C3)s2)cc1	ZINC000253996215	402670455	/nfs/dbraw/zinc/67/04/55/402670455.db2.gz	WLUXMEPIHPPJSV-ZDUSSCGKSA-N	1	0	316.430	2.498	1	0		DEAFRO
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2C[C@@H](C)C[C@]34[C@@H]2CCC[N@H+]3CCC[C@H]14	ZINC000095913392	560056734	/nfs/dbraw/zinc/05/67/34/560056734.db2.gz	ZSZTZZJEQFTDFX-OJGBPDNOSA-N	1	0	307.434	2.200	1	0	biogenic,in-vitro	DEAFRO
C[C@H](CNC(=O)Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1	ZINC000040828627	1078270472	/nfs/dbraw/zinc/27/04/72/1078270472.db2.gz	CPJOTJVGGVYFEF-CRAIPNDOSA-N	1	0	312.413	2.057	1	0		DEAFRO
c1nnn2c1C[NH2+]Cc1cc(-c3ccc4c(c3)OCO4)ccc1-2	ZINC000095603784	185382402	/nfs/dbraw/zinc/38/24/02/185382402.db2.gz	KWSJBQVLIDGPPE-UHFFFAOYSA-N	1	0	306.325	2.266	3	0		DEAFRO
CC(C)C[NH+]1CC2(C1)CCN(S(=O)(=O)c1ccccc1)CC2	ZINC000003955755	181058522	/nfs/dbraw/zinc/05/85/22/181058522.db2.gz	GVNYOIRBASBAGD-UHFFFAOYSA-N	1	0	322.474	2.429	1	0		DEAFRO
C[C@H]([NH3+])CN1CCc2cc(F)c(I)cc21	ZINC000026402694	182440898	/nfs/dbraw/zinc/44/08/98/182440898.db2.gz	KZFPTLZBQZDFHT-ZETCQYMHSA-N	1	0	320.149	2.140	1	0		DEAFRO
C[NH2+]C[C@@H]1CCCc2cc(S(=O)(=O)c3cc[nH]c3)ccc21	ZINC000049035392	183703975	/nfs/dbraw/zinc/70/39/75/183703975.db2.gz	FATVWPGDOJVMQE-ZDUSSCGKSA-N	1	0	304.415	2.487	1	0		DEAFRO
COc1cc(C[C@@H]2CNC(=[NH2+])N=C2N)ccc1Cc1ccccc1	ZINC000013757866	581096212	/nfs/dbraw/zinc/09/62/12/581096212.db2.gz	UADKZSUOVAPICX-MRXNPFEDSA-N	1	0	322.412	2.130	1	0		DEAFRO
Nc1c2c(c(C(=O)O[C@@H]3C[NH+]4CCC3CC4)cc1Cl)OCC2	ZINC000003928547	181058128	/nfs/dbraw/zinc/05/81/28/181058128.db2.gz	QUSHSFRRPJRJKS-CYBMUJFWSA-N	1	0	322.792	2.108	1	0		DEAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)=O)ccc1OC	ZINC000004213154	181085216	/nfs/dbraw/zinc/08/52/16/181085216.db2.gz	SOQLNFHOYKNPDY-AWEZNQCLSA-N	1	0	304.390	2.112	1	0	in-man	DEAFRO
CC(C)[C@H]1CO[C@]2(C)[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C(=O)N12	ZINC000005811207	181285992	/nfs/dbraw/zinc/28/59/92/181285992.db2.gz	UEVPYIDZJWMMTF-DODZYUBVSA-N	1	0	314.429	2.348	1	0		DEAFRO
C=C(c1ccccc1OC[C@@H](O)C[NH+]1CCCC1)n1ccnc1	ZINC000040466784	183072918	/nfs/dbraw/zinc/07/29/18/183072918.db2.gz	LKTXWODSKCMTEQ-INIZCTEOSA-N	1	0	313.401	2.238	1	0		DEAFRO
CC[N@@H+]1CC[C@@H]2OC[C@H](C(=O)NCc3cccs3)C[C@@H]2C1	ZINC000096066028	276221392	/nfs/dbraw/zinc/22/13/92/276221392.db2.gz	MXKQNXKPJDRTQE-NFAWXSAZSA-N	1	0	308.447	2.111	1	0		DEAFRO
CN1C[C@@H](CC[NH+]2CCC2)Oc2ncc(Cl)cc2C1=S	ZINC000013821317	181902110	/nfs/dbraw/zinc/90/21/10/181902110.db2.gz	TTZNDWMUJXPGIQ-LLVKDONJSA-N	1	0	311.838	2.199	1	0		DEAFRO
CC[NH+](CC)Cc1cc2ccc(C)cc2n(CC(=O)OC)c1=O	ZINC000045322211	183497577	/nfs/dbraw/zinc/49/75/77/183497577.db2.gz	UELZQKVZSLBIEM-UHFFFAOYSA-N	1	0	316.401	2.325	1	0		DEAFRO
[NH3+][C@H]1Cc2cn(S(=O)(=O)c3ccccc3)c3cccc(c23)C1	ZINC000095556133	185379655	/nfs/dbraw/zinc/37/96/55/185379655.db2.gz	LMESWUCYEXZYAH-CQSZACIVSA-N	1	0	312.394	2.304	1	0		DEAFRO
COc1ccccc1-c1nc2nc(N3CC[NH+](C)CC3)ccc2[nH]1	ZINC000095581968	185381083	/nfs/dbraw/zinc/38/10/83/185381083.db2.gz	OZKMWJBXYJPDNY-UHFFFAOYSA-N	1	0	323.400	2.385	1	0		DEAFRO
COC(=O)CCCCC1=[N+](C)CCc2cc(OC)c(OC)cc21	ZINC000096923188	185391634	/nfs/dbraw/zinc/39/16/34/185391634.db2.gz	QGWFILKULHWAKM-UHFFFAOYSA-N	1	0	320.409	2.425	1	0		DEAFRO
Nc1nc2c(oc3ccc(F)c(F)c32)c(N2CCC[C@H]([NH3+])C2)n1	ZINC000073169680	191288492	/nfs/dbraw/zinc/28/84/92/191288492.db2.gz	DNDFDMRHELNXCB-ZETCQYMHSA-N	1	0	319.315	2.164	1	0		DEAFRO
Nc1nc2c(oc3cccc(Cl)c32)c(N2CC[NH2+]CC2)n1	ZINC000073195762	191290757	/nfs/dbraw/zinc/29/07/57/191290757.db2.gz	CBVVKORODXSLHC-UHFFFAOYSA-N	1	0	303.753	2.021	1	0		DEAFRO
Cc1c2c(c(C)c(C)c1N)O[C@](C)(C[NH+]1CCN(C)CC1)C2	ZINC000022934330	182342290	/nfs/dbraw/zinc/34/22/90/182342290.db2.gz	DJRAXPXYCLABSD-SFHVURJKSA-N	1	0	303.450	2.135	1	0		DEAFRO
O=C([C@@H]1C[C@H](NCc2ccccc2)C[NH2+]1)N1Cc2ccccc2C1	ZINC000040423203	183065262	/nfs/dbraw/zinc/06/52/62/183065262.db2.gz	BCZDZAZLTVKVSQ-OALUTQOASA-N	1	0	321.424	2.049	1	0		DEAFRO
CCc1ccc(C2C(=O)c3nc(SC)nc(N)c3[N+]2=O)cc1	ZINC000045390727	183503382	/nfs/dbraw/zinc/50/33/82/183503382.db2.gz	YANKYXOGEVOTSO-UHFFFAOYSA-N	1	0	314.370	2.171	1	0		DEAFRO
Cn1cc(-c2ccc(C(=O)NCC[NH+](C)C)c3occc32)cn1	ZINC000061908880	184194864	/nfs/dbraw/zinc/19/48/64/184194864.db2.gz	UPKQSAMAZYDRDO-UHFFFAOYSA-N	1	0	312.373	2.125	3	0		DEAFRO
COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1[N@@H+]2C	ZINC000095545423	185379187	/nfs/dbraw/zinc/37/91/87/185379187.db2.gz	SUJQXOCXRQHYKW-SMDDNHRTSA-N	1	0	317.385	2.497	3	0		DEAFRO
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CCC[NH2+]C1	ZINC000049113065	190678087	/nfs/dbraw/zinc/67/80/87/190678087.db2.gz	SWYSWGCWSQBRGL-SNVBAGLBSA-N	1	0	305.765	2.120	1	0		DEAFRO
[NH3+]CCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1	ZINC000096286358	193609523	/nfs/dbraw/zinc/60/95/23/193609523.db2.gz	ZOUDTZOMWZWKMO-UHFFFAOYSA-N	1	0	310.386	2.377	1	0		DEAFRO
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H]2CCCC[N@@H+]2C1	ZINC000039285483	183016690	/nfs/dbraw/zinc/01/66/90/183016690.db2.gz	XVILTQQTMCWFOP-GHMZBOCLSA-N	1	0	323.824	2.287	1	0		DEAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccccc1[C@H](C)n1ccnc1	ZINC000040631922	183112054	/nfs/dbraw/zinc/11/20/54/183112054.db2.gz	ROCGJTLBFJZWOT-LSDHHAIUSA-N	1	0	303.406	2.230	1	0		DEAFRO
COc1cc(CC[NH3+])cc(OC(=O)c2ccccc2)c1OC	ZINC000040836585	183140893	/nfs/dbraw/zinc/14/08/93/183140893.db2.gz	OFJAEPZILFXMNY-UHFFFAOYSA-N	1	0	301.342	2.424	1	0		DEAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2CC(C)(C)C(=O)[C@@H]3O5	ZINC000040737560	183126916	/nfs/dbraw/zinc/12/69/16/183126916.db2.gz	XVXRLVQZZHOHFA-MSSRQSJBSA-N	1	0	313.397	2.266	1	0		DEAFRO
Ic1ccc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cn1	ZINC000005933591	181297752	/nfs/dbraw/zinc/29/77/52/181297752.db2.gz	HFZMLKBIAFLYRM-BBBLOLIVSA-N	1	0	300.143	2.294	1	0		DEAFRO
O=C([C@@H]1CCC[NH2+]1)C1c2cccc(O)c2C(=O)c2c(O)cccc21	ZINC000027556012	182477409	/nfs/dbraw/zinc/47/74/09/182477409.db2.gz	FWSJXMOUUVJNTI-LBPRGKRZSA-N	1	0	323.348	2.095	1	0		DEAFRO
[NH3+]CCOc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1	ZINC000028135787	182509526	/nfs/dbraw/zinc/50/95/26/182509526.db2.gz	TUPHMXYRZJTOMA-UHFFFAOYSA-N	1	0	316.382	2.216	1	0		DEAFRO
COc1ccc(C[C@@](O)(c2ccccc2)[C@@H]2C[NH2+]CCO2)cc1	ZINC000040563807	183103113	/nfs/dbraw/zinc/10/31/13/183103113.db2.gz	SUXMSNIBAHOLFO-RBUKOAKNSA-N	1	0	313.397	2.114	1	0		DEAFRO
CC(C)N1CCN(Cc2ccccc2Cl)[C@@H](C2=[NH+]CCN2)C1	ZINC000058497995	184120337	/nfs/dbraw/zinc/12/03/37/184120337.db2.gz	PWDNVKZORHILKX-MRXNPFEDSA-N	1	0	320.868	2.236	1	0		DEAFRO
COc1ccc2nc(C)cc(-n3cc(C[NH2+]C4CC4)nn3)c2c1	ZINC000064503857	184298717	/nfs/dbraw/zinc/29/87/17/184298717.db2.gz	YICCCPXLCGJJBB-UHFFFAOYSA-N	1	0	309.373	2.385	1	0		DEAFRO
COc1ccc2c(c1)CCN2C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000029562393	401857555	/nfs/dbraw/zinc/85/75/55/401857555.db2.gz	AJNJTJMSBWVYRH-GOOCMWNKSA-N	1	0	315.417	2.393	1	0		DEAFRO
C[N@H+]1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)C[C@H]2C1	ZINC000082149856	192361982	/nfs/dbraw/zinc/36/19/82/192361982.db2.gz	GPAWMBTXORTPEY-BETUJISGSA-N	1	0	319.408	2.478	1	0		DEAFRO
C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)n1c(=O)[nH]c3cc(F)ccc31)C2	ZINC000026186370	182432931	/nfs/dbraw/zinc/43/29/31/182432931.db2.gz	WRFPPGUUZOKVPQ-FOSCPWQOSA-N	1	0	319.336	2.079	1	0		DEAFRO
Cc1coc([C@H](Oc2c(F)cccc2F)[C@@H]2C[NH2+]CCO2)n1	ZINC000040846250	183141364	/nfs/dbraw/zinc/14/13/64/183141364.db2.gz	GPVPGABIUWQWLB-GXTWGEPZSA-N	1	0	310.300	2.370	1	0		DEAFRO
On1cc(C2CC[NH2+]CC2)c(-c2cn(Cc3ccccc3)cn2)n1	ZINC000096910963	185391059	/nfs/dbraw/zinc/39/10/59/185391059.db2.gz	APORMLSHVFZPFR-UHFFFAOYSA-N	1	0	323.400	2.499	1	0		DEAFRO
C[C@H]1CN(c2c(F)cc3c(=O)ccn(C4CC4)c3c2F)CC[NH2+]1	ZINC000072122751	191041637	/nfs/dbraw/zinc/04/16/37/191041637.db2.gz	HFDPKCFELCMROV-JTQLQIEISA-N	1	0	319.355	2.413	1	0		DEAFRO
CC(C)[N@H+](C[C@H]1CSCCS(=O)(=O)N1)C1CCCCC1	ZINC000072136558	191046850	/nfs/dbraw/zinc/04/68/50/191046850.db2.gz	ATSHUIKJJQAROT-ZDUSSCGKSA-N	1	0	320.524	2.064	1	0		DEAFRO
Nc1ncnc2c1c(-c1ccccc1)nn2CC1CC[NH2+]CC1	ZINC000084687724	192456609	/nfs/dbraw/zinc/45/66/09/192456609.db2.gz	MMLQRPIKFVUPJL-UHFFFAOYSA-N	1	0	308.389	2.075	1	0		DEAFRO
O=S(=O)(Nc1ccc2c(c1)CC[NH2+]CC2)c1ccccc1	ZINC000003817044	181047413	/nfs/dbraw/zinc/04/74/13/181047413.db2.gz	RGAFJFZSGZDVCJ-UHFFFAOYSA-N	1	0	302.399	2.176	1	0		DEAFRO
CC[NH+](CC)C[C@H](O)COc1ccc2oc(=O)cc(C)c2c1	ZINC000040379386	183057837	/nfs/dbraw/zinc/05/78/37/183057837.db2.gz	XISVELZPBQONBR-ZDUSSCGKSA-N	1	0	305.374	2.183	1	0		DEAFRO
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3O)o2)nc1	ZINC000040935391	183149338	/nfs/dbraw/zinc/14/93/38/183149338.db2.gz	AGOLYDMVOXEACB-UHFFFAOYSA-N	1	0	321.340	2.282	1	0		DEAFRO
COCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(OC)cc2)C1	ZINC000061904802	184194198	/nfs/dbraw/zinc/19/41/98/184194198.db2.gz	DXBMPYAHZSFZEC-SFHVURJKSA-N	1	0	320.433	2.060	3	0		DEAFRO
COc1cc(NC(=O)[C@@]2(C)CCC[N@@H+]2C)cc(OC)c1OC	ZINC000061927911	184196339	/nfs/dbraw/zinc/19/63/39/184196339.db2.gz	KHDQUZXTJTVBLX-MRXNPFEDSA-N	1	0	308.378	2.135	3	0		DEAFRO
O=C(NC[C@H]1CCCC[NH2+]1)c1ccccc1OCC(F)(F)F	ZINC000142427428	186032364	/nfs/dbraw/zinc/03/23/64/186032364.db2.gz	TUQCCNZEEFFLGJ-LLVKDONJSA-N	1	0	316.323	2.500	1	0		DEAFRO
C[NH+]1CCN(c2nc(N)nc3c(-c4ccoc4)cccc32)CC1	ZINC000073219926	191294862	/nfs/dbraw/zinc/29/48/62/191294862.db2.gz	YESBIPSCLZSAKX-UHFFFAOYSA-N	1	0	309.373	2.224	1	0		DEAFRO
C=C(c1ccccc1OC[C@H](O)C[NH+]1CCCC1)n1ccnc1	ZINC000040466783	183072796	/nfs/dbraw/zinc/07/27/96/183072796.db2.gz	LKTXWODSKCMTEQ-MRXNPFEDSA-N	1	0	313.401	2.238	1	0		DEAFRO
COCCNC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(OC)cc2)C1	ZINC000061904803	184193964	/nfs/dbraw/zinc/19/39/64/184193964.db2.gz	DXBMPYAHZSFZEC-GOSISDBHSA-N	1	0	320.433	2.060	3	0		DEAFRO
C[C@@H]1CN(c2c(F)cc3c(=O)ccn(C4CC4)c3c2F)CC[NH2+]1	ZINC000072122750	191042212	/nfs/dbraw/zinc/04/22/12/191042212.db2.gz	HFDPKCFELCMROV-SNVBAGLBSA-N	1	0	319.355	2.413	1	0		DEAFRO
C[C@@H]1Sc2cc(=O)c3cc(F)c(N4CC[NH2+]CC4)cc3n21	ZINC000072178836	191070665	/nfs/dbraw/zinc/07/06/65/191070665.db2.gz	FUNGBOLAQYFHTK-VIFPVBQESA-N	1	0	305.378	2.174	1	0		DEAFRO
CC(C)(C)OC(=O)COc1ccc2c(c1)[C@@H](O)[C@@H]([NH3+])CCC2	ZINC000026649696	182447981	/nfs/dbraw/zinc/44/79/81/182447981.db2.gz	MBXKGJLQPDURPE-GOEBONIOSA-N	1	0	307.390	2.104	1	0		DEAFRO
[NH3+][C@H](CO)c1csc(NC(=O)Nc2cccc(Cl)c2)n1	ZINC000061908373	184194529	/nfs/dbraw/zinc/19/45/29/184194529.db2.gz	HVRSMBBXSXGDCE-SECBINFHSA-N	1	0	312.782	2.433	3	0		DEAFRO
Cn1c(=O)cc(-c2ccncn2)cc1[NH2+]CCc1ccccc1	ZINC000066100000	184389335	/nfs/dbraw/zinc/38/93/35/184389335.db2.gz	WHMSCMGRRJBNQA-UHFFFAOYSA-N	1	0	306.369	2.497	1	0		DEAFRO
C[NH+]1C[C@@H]2CN(c3ccc4c(c3)C(=O)c3cc(N)ccc3-4)C[C@H]2C1	ZINC000082149862	192361770	/nfs/dbraw/zinc/36/17/70/192361770.db2.gz	GPAWMBTXORTPEY-CHWSQXEVSA-N	1	0	319.408	2.478	1	0		DEAFRO
O=C(NC[C@@H]1CCCC[NH2+]1)c1ccccc1OCC(F)(F)F	ZINC000142427240	186032433	/nfs/dbraw/zinc/03/24/33/186032433.db2.gz	TUQCCNZEEFFLGJ-NSHDSACASA-N	1	0	316.323	2.500	1	0		DEAFRO
O=c1cc(-c2ccccc2)c2ccc(N3CC[NH2+]CC3)nc2[nH]1	ZINC000006582539	181357283	/nfs/dbraw/zinc/35/72/83/181357283.db2.gz	SMKDRXVVTQFSGZ-UHFFFAOYSA-N	1	0	306.369	2.412	1	0		DEAFRO
C[NH2+]CCCCCCCC(=O)Nc1cccc2c1CNC2=O	ZINC000013588311	181866481	/nfs/dbraw/zinc/86/64/81/181866481.db2.gz	CQUWEVUYVXXFCU-UHFFFAOYSA-N	1	0	303.406	2.429	1	0		DEAFRO
[NH3+]CCc1c[nH]c(-c2cccc(I)c2)n1	ZINC000013741027	181887122	/nfs/dbraw/zinc/88/71/22/181887122.db2.gz	OPICWPJAKDPOOB-UHFFFAOYSA-N	1	0	313.142	2.183	1	0	in-vitro	DEAFRO
COc1ccc(OC)c(-c2noc(NCC[NH+]3CCCC3)n2)c1	ZINC000021630514	182281399	/nfs/dbraw/zinc/28/13/99/182281399.db2.gz	ZRYYLICQRIYYNH-UHFFFAOYSA-N	1	0	318.377	2.262	1	0		DEAFRO
C[NH+](C)CCNC(=O)C1=CC=C[C@@H]2Sc3ccccc3N[C@@H]12	ZINC000027994602	182503232	/nfs/dbraw/zinc/50/32/32/182503232.db2.gz	WVKIQNAKRIDMAY-HOTGVXAUSA-N	1	0	315.442	2.115	1	0		DEAFRO
CC(=O)OC[C@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)[N@H+]2C	ZINC000036177053	182807968	/nfs/dbraw/zinc/80/79/68/182807968.db2.gz	SSYJHBOBILTUDS-QZWWFDLISA-N	1	0	317.385	2.258	1	0		DEAFRO
CC(C)[NH+]1CCC(C)(c2nc3c(cccc3C(N)=O)[nH]2)CC1	ZINC000040955339	183151473	/nfs/dbraw/zinc/15/14/73/183151473.db2.gz	ZOYAYNKIQNXWEW-UHFFFAOYSA-N	1	0	300.406	2.424	1	0		DEAFRO
O=C(Cc1ccc(Br)cc1)N1CC[NH+]2CCC1CC2	ZINC000042964432	183324394	/nfs/dbraw/zinc/32/43/94/183324394.db2.gz	FHXPXJFETRKRTA-UHFFFAOYSA-N	1	0	323.234	2.298	1	0		DEAFRO
Nc1nc2c3cc(Cl)ccc3oc2c(N2CC(C[NH3+])C2)n1	ZINC000073170187	191287727	/nfs/dbraw/zinc/28/77/27/191287727.db2.gz	KFAJEIPLLSYRCC-UHFFFAOYSA-N	1	0	303.753	2.007	1	0		DEAFRO
O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)cc2[nH]cnc21	ZINC000005491128	181249348	/nfs/dbraw/zinc/24/93/48/181249348.db2.gz	ZSVQUSFCJUITKQ-ZDUSSCGKSA-N	1	0	304.781	2.040	1	0		DEAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(O)c1OC	ZINC000064426676	184296602	/nfs/dbraw/zinc/29/66/02/184296602.db2.gz	NODNWTANTRFPNW-NSHDSACASA-N	1	0	312.797	2.268	1	0		DEAFRO