smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3OC)CC2)c1	ZINC000217990739	402294329	/nfs/dbraw/zinc/29/43/29/402294329.db2.gz	LQYHAFUDLFCQRH-QZTJIDSGSA-N	1	0	320.433	2.058	50	70		DEIARO
COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]([NH3+])CCSC)C2)cc1	ZINC000161315062	402382186	/nfs/dbraw/zinc/38/21/86/402382186.db2.gz	ANWFZRYLZBRCOV-JGGQBBKZSA-N	1	0	322.474	2.480	50	70		DEIARO
O=C(c1ccc2nccn2c1)N1CCCC[C@H]1C[NH+]1CCCC1	ZINC000218758924	402296468	/nfs/dbraw/zinc/29/64/68/402296468.db2.gz	ZKNLPVPCAYRQHL-INIZCTEOSA-N	1	0	312.417	2.425	50	70		DEIARO
O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1	ZINC000160683091	355965595	/nfs/dbraw/zinc/96/55/95/355965595.db2.gz	QIMSYOLMLMQCGX-NWDGAFQWSA-N	1	0	317.216	2.285	50	70		DEIARO
[NH3+][C@@H]1CCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1	ZINC000160251982	197395993	/nfs/dbraw/zinc/39/59/93/197395993.db2.gz	QOINPROEXUSJIM-ZGRWHYIRSA-N	1	0	323.396	2.233	50	70		DEIARO
O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H](O)c1ccccc1	ZINC000217712302	402293470	/nfs/dbraw/zinc/29/34/70/402293470.db2.gz	QFHABASLTNEXIO-CGTJXYLNSA-N	1	0	316.445	2.491	50	70		DEIARO
C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccccc1Br	ZINC000217268463	277284085	/nfs/dbraw/zinc/28/40/85/277284085.db2.gz	UJUMJPCOYTZQSG-GFCCVEGCSA-N	1	0	311.223	2.202	50	70		DEIARO
CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000159921851	282596095	/nfs/dbraw/zinc/59/60/95/282596095.db2.gz	SODGUCSMJIWBBS-LLVKDONJSA-N	1	0	322.352	2.063	50	70		DEIARO
Cc1cc([C@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)cc(C)c1F	ZINC000161298782	355967594	/nfs/dbraw/zinc/96/75/94/355967594.db2.gz	LPMGGCSOSGFHJJ-DZGCQCFKSA-N	1	0	308.397	2.388	50	70		DEIARO
[NH3+]C[C@@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl	ZINC000160280593	197397799	/nfs/dbraw/zinc/39/77/99/197397799.db2.gz	JBZOFHYAGLCVFV-NSHDSACASA-N	1	0	300.761	2.198	50	70		DEIARO
CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1ccccn1	ZINC000217358692	402291750	/nfs/dbraw/zinc/29/17/50/402291750.db2.gz	UBRMULRCIOCCRE-SFHVURJKSA-N	1	0	309.413	2.139	50	70		DEIARO
Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1	ZINC000161469720	281369544	/nfs/dbraw/zinc/36/95/44/281369544.db2.gz	SFALZMSMOAJHBX-UXLLHSPISA-N	1	0	302.418	2.283	50	70		DEIARO
CN1CC[N@H+](C)[C@@H](CC(=O)NCc2ccc3sccc3c2)C1	ZINC000217146230	402291080	/nfs/dbraw/zinc/29/10/80/402291080.db2.gz	CBFPYLVUPNFGOP-HNNXBMFYSA-N	1	0	317.458	2.153	50	70		DEIARO
CC(C)c1cc(C(=O)NCC[NH+](C)C)n(-c2ccccc2)n1	ZINC000218353600	402295274	/nfs/dbraw/zinc/29/52/74/402295274.db2.gz	AJEMLKFWJNBBLQ-UHFFFAOYSA-N	1	0	300.406	2.287	50	70		DEIARO
Cc1ccc(C(=O)NC2CCN(Cc3nccn3C)CC2)s1	ZINC000160882652	402364002	/nfs/dbraw/zinc/36/40/02/402364002.db2.gz	WEDBCHHKLYSXEY-UHFFFAOYSA-N	1	0	318.446	2.184	50	70		DEIARO
C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1	ZINC000161209525	402377861	/nfs/dbraw/zinc/37/78/61/402377861.db2.gz	CDRNPFPGHKPOQF-LLVKDONJSA-N	1	0	302.403	2.029	50	70		DEIARO
C[C@H]1CN(C(=O)CCc2cccc(Br)c2)CC[NH2+]1	ZINC000217268518	337078016	/nfs/dbraw/zinc/07/80/16/337078016.db2.gz	YJWKVYMOMRUJIS-NSHDSACASA-N	1	0	311.223	2.202	50	70		DEIARO
COC1CC[NH+](C2CCN(C(=O)[C@H]3CC=CCC3)CC2)CC1	ZINC000217761310	402293541	/nfs/dbraw/zinc/29/35/41/402293541.db2.gz	JXUCUCMSUGPQNW-HNNXBMFYSA-N	1	0	306.450	2.445	50	70		DEIARO
O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1	ZINC000159680576	526487204	/nfs/dbraw/zinc/48/72/04/526487204.db2.gz	KKTVXTQIRVHWEF-CYBMUJFWSA-N	1	0	317.216	2.143	50	70		DEIARO
OCc1cc2n(n1)CCN(Cc1c[nH]nc1C1CCCCC1)C2	ZINC000217489841	402292609	/nfs/dbraw/zinc/29/26/09/402292609.db2.gz	OPUAZXWNBHPEAJ-UHFFFAOYSA-N	1	0	315.421	2.162	50	70		DEIARO
c1ccc2nc(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)cnc2c1	ZINC000218008942	402294182	/nfs/dbraw/zinc/29/41/82/402294182.db2.gz	NJIKJQIRBJECEJ-QRVDHSFSSA-N	1	0	310.401	2.293	50	70		DEIARO
[NH3+]C[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1	ZINC000160207146	197392726	/nfs/dbraw/zinc/39/27/26/197392726.db2.gz	ZUHDOEHYIPZMSQ-ZDUSSCGKSA-N	1	0	304.781	2.089	50	70		DEIARO
CS[C@@H](C)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000160063405	197383084	/nfs/dbraw/zinc/38/30/84/197383084.db2.gz	ZYNLAKSDQKRHTM-ZDUSSCGKSA-N	1	0	307.463	2.304	50	70		DEIARO
Cc1cnc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cn1	ZINC000218077118	402294452	/nfs/dbraw/zinc/29/44/52/402294452.db2.gz	ZPLKKJNLEYCVAU-UHFFFAOYSA-N	1	0	324.428	2.178	50	70		DEIARO
[NH3+]C[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl	ZINC000160280459	197397229	/nfs/dbraw/zinc/39/72/29/197397229.db2.gz	JBZOFHYAGLCVFV-LLVKDONJSA-N	1	0	300.761	2.198	50	70		DEIARO
C[C@H](C1CCN(C(=O)c2cccc(N)n2)CC1)[NH+]1CCCC1	ZINC000216985753	402290561	/nfs/dbraw/zinc/29/05/61/402290561.db2.gz	CBGODZSTVLDFLY-CYBMUJFWSA-N	1	0	302.422	2.000	50	70		DEIARO
CCCOc1ccc(CN2CC[N@H+](C)[C@@H](CO)C2)cc1Cl	ZINC000217354338	402292005	/nfs/dbraw/zinc/29/20/05/402292005.db2.gz	APHBDWDFMANNRZ-CQSZACIVSA-N	1	0	312.841	2.237	50	70		DEIARO
Cc1c[nH+]ccc1NCCNc1cc(C2CC(O)C2)nc(C)n1	ZINC000218258683	402295386	/nfs/dbraw/zinc/29/53/86/402295386.db2.gz	DGBSOVSPFFKXAW-UHFFFAOYSA-N	1	0	313.405	2.251	50	70		DEIARO
COc1ccc([C@H]2C[C@H](C)N(C(=O)C3CC[NH2+]CC3)C2)cc1	ZINC000161310881	402381990	/nfs/dbraw/zinc/38/19/90/402381990.db2.gz	LZDZGKWDZKYMNO-BBRMVZONSA-N	1	0	302.418	2.399	50	70		DEIARO
Nc1nc(NCCc2ccc(F)cc2)cc(C2CC(O)C2)[nH+]1	ZINC000218115087	201532119	/nfs/dbraw/zinc/53/21/19/201532119.db2.gz	RRZADKCWQXCHNA-UHFFFAOYSA-N	1	0	302.353	2.091	50	70		DEIARO
O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1	ZINC000160680382	197430814	/nfs/dbraw/zinc/43/08/14/197430814.db2.gz	QIMSYOLMLMQCGX-NEPJUHHUSA-N	1	0	317.216	2.285	50	70		DEIARO
[NH3+]C[C@@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1	ZINC000160324313	197401243	/nfs/dbraw/zinc/40/12/43/197401243.db2.gz	MDEFYCPOTFFJHQ-ZDUSSCGKSA-N	1	0	319.405	2.436	50	70		DEIARO
CCc1oc(C(=O)NCC2(C)COC2)cc1C[NH+](CC)CC	ZINC000217184281	402291127	/nfs/dbraw/zinc/29/11/27/402291127.db2.gz	XKVCMFBDRNPPHB-UHFFFAOYSA-N	1	0	308.422	2.450	50	70		DEIARO
Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2F)n1	ZINC000160391214	197406111	/nfs/dbraw/zinc/40/61/11/197406111.db2.gz	PGTIFNKHUPINLN-CQSZACIVSA-N	1	0	316.380	2.192	50	70		DEIARO
[NH3+]C[C@@H]1CCCN1C(=O)Cc1ccc(F)c(Br)c1	ZINC000160308100	197399334	/nfs/dbraw/zinc/39/93/34/197399334.db2.gz	SMEAGNFSWDLVCP-JTQLQIEISA-N	1	0	315.186	2.080	50	70		DEIARO
CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)Cc1ccccn1	ZINC000217358776	402292053	/nfs/dbraw/zinc/29/20/53/402292053.db2.gz	UBRMULRCIOCCRE-GOSISDBHSA-N	1	0	309.413	2.139	50	70		DEIARO
Cc1cnc(CNc2cc(C3CC([NH3+])C3)nc(C3CC3)n2)cn1	ZINC000218771759	402296348	/nfs/dbraw/zinc/29/63/48/402296348.db2.gz	SLRDPZROBJXCPB-UHFFFAOYSA-N	1	0	310.405	2.269	50	70		DEIARO
CN(Cc1cccc(C[NH+](C)C)c1)C(=O)C(=O)c1ccco1	ZINC000218349201	201537327	/nfs/dbraw/zinc/53/73/27/201537327.db2.gz	WUYJASWYCBCERA-UHFFFAOYSA-N	1	0	300.358	2.183	50	70		DEIARO
Cc1cccc(CC[N@H+]2CCCn3nc([C@@H](C)O)cc3C2)n1	ZINC000217362551	402291982	/nfs/dbraw/zinc/29/19/82/402291982.db2.gz	QSCYFOJDQMJOCO-CQSZACIVSA-N	1	0	300.406	2.088	50	70		DEIARO
CC(C)CCOc1cccc(CN2CC[N@H+](C)[C@@H](CO)C2)c1	ZINC000216911021	402289954	/nfs/dbraw/zinc/28/99/54/402289954.db2.gz	LQXHDDYXNJEJIM-QGZVFWFLSA-N	1	0	306.450	2.220	50	70		DEIARO
O=C(c1cnco1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2	ZINC000218371518	280232589	/nfs/dbraw/zinc/23/25/89/280232589.db2.gz	AIRDLHOHRTXEKG-CVEARBPZSA-N	1	0	311.385	2.411	50	70		DEIARO
O=C(c1ccc2nccn2c1)N1CCCC[C@@H]1C[NH+]1CCCC1	ZINC000218758884	280202187	/nfs/dbraw/zinc/20/21/87/280202187.db2.gz	ZKNLPVPCAYRQHL-MRXNPFEDSA-N	1	0	312.417	2.425	50	70		DEIARO
CC1CC[NH+](C[C@H](O)CNc2nc(C(C)(C)C)ns2)CC1	ZINC000159406290	197351378	/nfs/dbraw/zinc/35/13/78/197351378.db2.gz	WVGFYUUVWSYAJT-GFCCVEGCSA-N	1	0	312.483	2.340	50	70		DEIARO
COc1ccccc1N1CCC([NH2+][C@@H]2C[C@@H]3OCC[C@H]23)CC1	ZINC000217210535	402291116	/nfs/dbraw/zinc/29/11/16/402291116.db2.gz	QLCQHCKWHAAWRN-RKVPGOIHSA-N	1	0	302.418	2.431	50	70		DEIARO
O=C(c1ccsc1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1	ZINC000217442859	402292306	/nfs/dbraw/zinc/29/23/06/402292306.db2.gz	DZZIDTQDTXTVGE-HNNXBMFYSA-N	1	0	308.447	2.465	50	70		DEIARO
CN(C)c1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cc1	ZINC000217680904	402293530	/nfs/dbraw/zinc/29/35/30/402293530.db2.gz	ZWPSHOKYYDCSHQ-MNZLEMJZSA-N	1	0	315.461	2.094	50	70		DEIARO
C[C@@H](C1CCN(C(=O)c2cccc(N)n2)CC1)[NH+]1CCCC1	ZINC000216985740	402290882	/nfs/dbraw/zinc/29/08/82/402290882.db2.gz	CBGODZSTVLDFLY-ZDUSSCGKSA-N	1	0	302.422	2.000	50	70		DEIARO
O=C(CC[NH+]1CCCCC1)N1CC(Oc2ccccc2F)C1	ZINC000217154017	402291229	/nfs/dbraw/zinc/29/12/29/402291229.db2.gz	NNUPYKFBHPKWHE-UHFFFAOYSA-N	1	0	306.381	2.291	50	70		DEIARO
C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F	ZINC000161246844	402378794	/nfs/dbraw/zinc/37/87/94/402378794.db2.gz	ZQLJHRFABUBYAX-LBPRGKRZSA-N	1	0	300.324	2.458	50	70		DEIARO
[NH3+]C[C@H]1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000160310139	279651570	/nfs/dbraw/zinc/65/15/70/279651570.db2.gz	CUFKIVRLLQPTDC-LLVKDONJSA-N	1	0	302.296	2.034	50	70		DEIARO
CN(C)c1ccc(CCC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)cc1	ZINC000217910947	539727085	/nfs/dbraw/zinc/72/70/85/539727085.db2.gz	SAJFCMVCNZMQRK-WMZOPIPTSA-N	1	0	315.461	2.238	50	70		DEIARO
COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3CC[NH2+]CC3)C2)cc1	ZINC000161310757	197483401	/nfs/dbraw/zinc/48/34/01/197483401.db2.gz	LZDZGKWDZKYMNO-CJNGLKHVSA-N	1	0	302.418	2.399	50	70		DEIARO
CCN(CC[NH+]1CCCC1)Cc1cnc(N2CCCCC2)nc1	ZINC000218612661	257273876	/nfs/dbraw/zinc/27/38/76/257273876.db2.gz	GJQAQVHLPBUQQW-UHFFFAOYSA-N	1	0	317.481	2.385	50	70		DEIARO
COc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)[C@H]3OC)OCCO2	ZINC000216998738	402290646	/nfs/dbraw/zinc/29/06/46/402290646.db2.gz	BZCNCBQTGZFDPR-MCBXIFIFSA-N	1	0	319.401	2.323	50	70		DEIARO
O=C(Cc1c[nH]cn1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217590506	402292880	/nfs/dbraw/zinc/29/28/80/402292880.db2.gz	ONWDORNKMMTQGE-KRWDZBQOSA-N	1	0	312.417	2.296	50	70		DEIARO
O[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccccc2Cl)CC1	ZINC000218485169	402296264	/nfs/dbraw/zinc/29/62/64/402296264.db2.gz	IATYHNFADXXUMQ-GDBMZVCRSA-N	1	0	310.825	2.048	50	70		DEIARO
Cc1cncnc1C1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1	ZINC000218363963	201537554	/nfs/dbraw/zinc/53/75/54/201537554.db2.gz	OPBNJUVQZGNGGP-UHFFFAOYSA-N	1	0	324.432	2.164	50	70		DEIARO
O=C(Cc1c[nH]cn1)NC[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000217590596	402292845	/nfs/dbraw/zinc/29/28/45/402292845.db2.gz	ONWDORNKMMTQGE-QGZVFWFLSA-N	1	0	312.417	2.296	50	70		DEIARO
Cc1[nH]c2c(cccc2CN2CCn3nc(CO)cc3C2)c1C	ZINC000217688058	402293646	/nfs/dbraw/zinc/29/36/46/402293646.db2.gz	UJZAEQXFWOAPGN-UHFFFAOYSA-N	1	0	310.401	2.489	50	70		DEIARO
COC(C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)OC	ZINC000160605209	402353936	/nfs/dbraw/zinc/35/39/36/402353936.db2.gz	YEPWWOOHJWJEQM-UHFFFAOYSA-N	1	0	301.333	2.427	50	70		DEIARO
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]([NH3+])CCSC)C2)cc1	ZINC000161314937	402381897	/nfs/dbraw/zinc/38/18/97/402381897.db2.gz	ANWFZRYLZBRCOV-XNRPHZJLSA-N	1	0	322.474	2.480	50	70		DEIARO
COc1ccc(CNC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1	ZINC000161008062	524052578	/nfs/dbraw/zinc/05/25/78/524052578.db2.gz	OGGXBHGYXQWXOQ-HNNXBMFYSA-N	1	0	320.433	2.247	50	70		DEIARO
CCc1nccn1CC(=O)N1CCCC[C@@H]1CCn1cccn1	ZINC000218143387	402294867	/nfs/dbraw/zinc/29/48/67/402294867.db2.gz	RGJLWHYUHDLSPQ-OAHLLOKOSA-N	1	0	315.421	2.113	50	70		DEIARO
CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H]1CC[NH2+]C1	ZINC000161202457	402377512	/nfs/dbraw/zinc/37/75/12/402377512.db2.gz	VQTNLXIWNVPSSG-AWEZNQCLSA-N	1	0	312.417	2.221	50	70		DEIARO
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1	ZINC000161309490	402381926	/nfs/dbraw/zinc/38/19/26/402381926.db2.gz	OOYZJFIWMDNLNQ-KYOSRNDESA-N	1	0	306.431	2.062	50	70		DEIARO
Cc1cc([C@@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)cc(C)c1F	ZINC000161298524	355967764	/nfs/dbraw/zinc/96/77/64/355967764.db2.gz	LPMGGCSOSGFHJJ-HIFRSBDPSA-N	1	0	308.397	2.388	50	70		DEIARO
O[C@H]1C[C@@H]([C@@H]([NH2+]C2CSCCSC2)c2ccccn2)C1	ZINC000218094992	296586120	/nfs/dbraw/zinc/58/61/20/296586120.db2.gz	KOOTWHCJWSHFQG-UXIGCNINSA-N	1	0	310.488	2.332	50	70		DEIARO
Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)CO1	ZINC000161469491	274809786	/nfs/dbraw/zinc/80/97/86/274809786.db2.gz	SFALZMSMOAJHBX-INMHGKMJSA-N	1	0	302.418	2.283	50	70		DEIARO
C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CCC[NH2+]C1	ZINC000159549742	186126151	/nfs/dbraw/zinc/12/61/51/186126151.db2.gz	VDKBQOBACIXSPZ-WTTBNOFXSA-N	1	0	302.418	2.363	50	70		DEIARO
CS[C@H](C)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000160063515	197382532	/nfs/dbraw/zinc/38/25/32/197382532.db2.gz	ZYNLAKSDQKRHTM-CYBMUJFWSA-N	1	0	307.463	2.304	50	70		DEIARO
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccc(F)c1)C2	ZINC000217178074	402291259	/nfs/dbraw/zinc/29/12/59/402291259.db2.gz	STWOZRLEMQUZBM-LAQFHYBYSA-N	1	0	301.365	2.419	50	70		DEIARO
Cc1cc(C)n(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1	ZINC000217831448	402293969	/nfs/dbraw/zinc/29/39/69/402293969.db2.gz	HSTGXFJSNGQSBN-DLBZAZTESA-N	1	0	318.465	2.271	50	70	biogenic	DEIARO
O=C(C[NH+]1CCCCCCC1)N1CCC[C@@H](Cn2ccnc2)C1	ZINC000218024873	402294311	/nfs/dbraw/zinc/29/43/11/402294311.db2.gz	KEIDKQRZVISPSZ-KRWDZBQOSA-N	1	0	318.465	2.388	50	70		DEIARO
COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3CC[NH2+]CC3)C2)cc1	ZINC000161311140	402382056	/nfs/dbraw/zinc/38/20/56/402382056.db2.gz	LZDZGKWDZKYMNO-XJKSGUPXSA-N	1	0	302.418	2.399	50	70		DEIARO
C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCc1cn2ccccc2n1	ZINC000217169097	402291389	/nfs/dbraw/zinc/29/13/89/402291389.db2.gz	REKLYCCBYAFXSD-OKILXGFUSA-N	1	0	300.406	2.213	50	70		DEIARO
CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c1	ZINC000217135606	333390095	/nfs/dbraw/zinc/39/00/95/333390095.db2.gz	NXFDTYGMWHWHBV-QLPKVWCKSA-N	1	0	301.434	2.165	50	70		DEIARO
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1C[NH3+]	ZINC000160291942	197398557	/nfs/dbraw/zinc/39/85/57/197398557.db2.gz	DYXRTRDGDODDPD-GHMZBOCLSA-N	1	0	316.323	2.422	50	70		DEIARO
O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000160415919	402344994	/nfs/dbraw/zinc/34/49/94/402344994.db2.gz	BTKYAVUSNRAYKI-QGZVFWFLSA-N	1	0	321.380	2.224	50	70		DEIARO
[NH3+][C@@H]1CCN(C(=O)COc2ccccc2Cc2ccccc2)C1	ZINC000160201493	256588085	/nfs/dbraw/zinc/58/80/85/256588085.db2.gz	GEPLCDOXDKTELO-QGZVFWFLSA-N	1	0	310.397	2.216	50	70		DEIARO
CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+]1Cc3ccccc3C1)C2	ZINC000217170794	402291118	/nfs/dbraw/zinc/29/11/18/402291118.db2.gz	ISANCFDLHPKNDG-DZFIZOCASA-N	1	0	314.429	2.276	50	70		DEIARO
CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H]1CC[NH2+]C1	ZINC000161202378	402377806	/nfs/dbraw/zinc/37/78/06/402377806.db2.gz	VQTNLXIWNVPSSG-CQSZACIVSA-N	1	0	312.417	2.221	50	70		DEIARO
COC1CC[NH+](C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1	ZINC000217761382	402293687	/nfs/dbraw/zinc/29/36/87/402293687.db2.gz	JXUCUCMSUGPQNW-OAHLLOKOSA-N	1	0	306.450	2.445	50	70		DEIARO
O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccccc1Cl	ZINC000218186605	201533145	/nfs/dbraw/zinc/53/31/45/201533145.db2.gz	CBEBJDBGVORUTH-GJZGRUSLSA-N	1	0	308.809	2.323	50	70		DEIARO
[NH3+]C[C@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1	ZINC000160207057	197392545	/nfs/dbraw/zinc/39/25/45/197392545.db2.gz	ZUHDOEHYIPZMSQ-CYBMUJFWSA-N	1	0	304.781	2.089	50	70		DEIARO
Cc1ccc(OC2CN(C(=O)CC[NH+]3CCCCC3)C2)cc1	ZINC000217181425	402291275	/nfs/dbraw/zinc/29/12/75/402291275.db2.gz	SAKVEDKJNSERDA-UHFFFAOYSA-N	1	0	302.418	2.461	50	70		DEIARO
O[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2cccc(Cl)c2)CC1	ZINC000218283918	402295487	/nfs/dbraw/zinc/29/54/87/402295487.db2.gz	XWOJAHBNPYHEQE-HZPDHXFCSA-N	1	0	310.825	2.048	50	70		DEIARO
C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F	ZINC000161246961	277032238	/nfs/dbraw/zinc/03/22/38/277032238.db2.gz	ZQLJHRFABUBYAX-GFCCVEGCSA-N	1	0	300.324	2.458	50	70		DEIARO
Cc1cccn2c(CNC(=O)c3ncc(F)cc3F)cnc12	ZINC000218179845	402294953	/nfs/dbraw/zinc/29/49/53/402294953.db2.gz	HQODJNRKZZUZST-UHFFFAOYSA-N	1	0	302.284	2.246	50	70		DEIARO
C(#C[SiH](c1ccccc1)c1ccccc1)C[NH+]1CCCCC1	ZINC000216633772	336262376	/nfs/dbraw/zinc/26/23/76/336262376.db2.gz	QXSIANPJQNKFSJ-UHFFFAOYSA-N	1	0	305.497	2.056	50	70		DEIARO
[NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cc(Br)cs1	ZINC000160152395	197389459	/nfs/dbraw/zinc/38/94/59/197389459.db2.gz	YQWRTZVMXVAFMV-HMDXOVGESA-N	1	0	315.236	2.474	50	70		DEIARO
Cc1noc(C)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217599131	402293112	/nfs/dbraw/zinc/29/31/12/402293112.db2.gz	JRUSAQHGJRHLLS-GOEBONIOSA-N	1	0	305.422	2.215	50	70	biogenic	DEIARO
CC(C)n1cccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1	ZINC000218317872	402295686	/nfs/dbraw/zinc/29/56/86/402295686.db2.gz	LAWVGIVJBATBLQ-XLNGHYISSA-N	1	0	317.433	2.051	50	70		DEIARO
Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc(O)cc2C)CC1	ZINC000218760712	402296604	/nfs/dbraw/zinc/29/66/04/402296604.db2.gz	CLHURKVMMHUEGL-UHFFFAOYSA-N	1	0	311.385	2.366	50	70		DEIARO
CC[NH2+]CC1CCN(C(=O)c2c(Cl)nc3ccccn32)CC1	ZINC000161066044	402371642	/nfs/dbraw/zinc/37/16/42/402371642.db2.gz	CNYAFCQNRYJOLI-UHFFFAOYSA-N	1	0	320.824	2.449	50	70		DEIARO
Cc1ccccc1-n1nc(C(=O)N2CCC[C@H]2C[NH3+])c2c1CCC2	ZINC000160354171	281330669	/nfs/dbraw/zinc/33/06/69/281330669.db2.gz	UOHPEWQBKBWHKA-AWEZNQCLSA-N	1	0	324.428	2.233	50	70		DEIARO
[NH3+][C@@H]1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)C1	ZINC000160258922	355964224	/nfs/dbraw/zinc/96/42/24/355964224.db2.gz	BTTLQJCDLUWYHI-LLVKDONJSA-N	1	0	303.189	2.322	50	70		DEIARO
CC(=O)NC1CCC([NH2+]Cc2ccc(OC(C)C)nc2)CC1	ZINC000161303646	197482822	/nfs/dbraw/zinc/48/28/22/197482822.db2.gz	SKOHKWWLWUBSHR-UHFFFAOYSA-N	1	0	305.422	2.406	50	70		DEIARO
C/C=C/c1ccc(OCC(=O)N2CCC[C@@H]2C[NH3+])c(OC)c1	ZINC000160235406	197394890	/nfs/dbraw/zinc/39/48/90/197394890.db2.gz	SQEXEQQOZUENCT-LYKUJDHUSA-N	1	0	304.390	2.057	50	70		DEIARO
CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(-c3ccccn3)nc1)C2	ZINC000217678899	402293491	/nfs/dbraw/zinc/29/34/91/402293491.db2.gz	RVYIYZFXIOQGNR-QLPKVWCKSA-N	1	0	310.401	2.395	50	70		DEIARO
Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2F)n1	ZINC000160391345	402343512	/nfs/dbraw/zinc/34/35/12/402343512.db2.gz	PGTIFNKHUPINLN-AWEZNQCLSA-N	1	0	316.380	2.192	50	70		DEIARO
CCO[C@H]1C[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C[C@@H]1O	ZINC000218362102	402295438	/nfs/dbraw/zinc/29/54/38/402295438.db2.gz	DXZPKLATNHTNTR-HOCLYGCPSA-N	1	0	309.793	2.197	50	70		DEIARO
O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccnnc1	ZINC000217113168	568416200	/nfs/dbraw/zinc/41/62/00/568416200.db2.gz	MMUMWCQNCKVVNQ-QGZVFWFLSA-N	1	0	310.401	2.434	50	70		DEIARO
OCCn1nccc1C1CC[NH+](Cc2cccc(F)c2)CC1	ZINC000160556806	355964925	/nfs/dbraw/zinc/96/49/25/355964925.db2.gz	DVHRNRQZPXJLSZ-UHFFFAOYSA-N	1	0	303.381	2.394	50	70		DEIARO
CC[NH+](CC)Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)o1	ZINC000217811139	402293858	/nfs/dbraw/zinc/29/38/58/402293858.db2.gz	OLVIGBOERRNPAV-UHFFFAOYSA-N	1	0	316.405	2.492	50	70		DEIARO
CC1CC[NH+](C[C@@H](O)CNc2nc(C(C)(C)C)ns2)CC1	ZINC000159406437	197351259	/nfs/dbraw/zinc/35/12/59/197351259.db2.gz	WVGFYUUVWSYAJT-LBPRGKRZSA-N	1	0	312.483	2.340	50	70		DEIARO
CCc1nccn1CC(=O)N1CCCC[C@H]1CCn1cccn1	ZINC000218143470	402294878	/nfs/dbraw/zinc/29/48/78/402294878.db2.gz	RGJLWHYUHDLSPQ-HNNXBMFYSA-N	1	0	315.421	2.113	50	70		DEIARO
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C[NH3+]	ZINC000160292207	287121431	/nfs/dbraw/zinc/12/14/31/287121431.db2.gz	DYXRTRDGDODDPD-MNOVXSKESA-N	1	0	316.323	2.422	50	70		DEIARO
C[C@H]1CN(C(=O)CCc2cc(Br)cs2)CC[NH2+]1	ZINC000217276187	337078072	/nfs/dbraw/zinc/07/80/72/337078072.db2.gz	KEPJYWGJWHPQML-VIFPVBQESA-N	1	0	317.252	2.264	50	70		DEIARO
O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1CC[NH2+]CC1	ZINC000159680710	186135299	/nfs/dbraw/zinc/13/52/99/186135299.db2.gz	KKTVXTQIRVHWEF-ZDUSSCGKSA-N	1	0	317.216	2.143	50	70		DEIARO
Nc1nc(NCCc2ccccc2F)cc(C2CC([NH3+])C2)n1	ZINC000218351099	402295631	/nfs/dbraw/zinc/29/56/31/402295631.db2.gz	VBMDIDQZLOEHPW-UHFFFAOYSA-N	1	0	301.369	2.057	50	70		DEIARO
Cc1ccc(C)n1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000218087288	201531489	/nfs/dbraw/zinc/53/14/89/201531489.db2.gz	XGCLXCXDGFNQRH-DLBZAZTESA-N	1	0	303.450	2.486	50	70	biogenic	DEIARO
Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)no1	ZINC000218250217	402295305	/nfs/dbraw/zinc/29/53/05/402295305.db2.gz	XJXQMJOJOVLHMU-ZDUSSCGKSA-N	1	0	303.362	2.104	50	70		DEIARO
C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccccn2)n1	ZINC000161209391	277028363	/nfs/dbraw/zinc/02/83/63/277028363.db2.gz	CDRNPFPGHKPOQF-NSHDSACASA-N	1	0	302.403	2.029	50	70		DEIARO
Cn1nc(-c2ccccc2)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2	ZINC000217012045	402290796	/nfs/dbraw/zinc/29/07/96/402290796.db2.gz	PJJZQNIHBVKDST-GOEBONIOSA-N	1	0	324.428	2.253	50	70		DEIARO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccnnc1	ZINC000217113154	568416221	/nfs/dbraw/zinc/41/62/21/568416221.db2.gz	MMUMWCQNCKVVNQ-KRWDZBQOSA-N	1	0	310.401	2.434	50	70		DEIARO
Cc1c(C(=O)N2CCC[C@H]2C[NH3+])cnn1-c1cccc(Cl)c1	ZINC000160251789	197396119	/nfs/dbraw/zinc/39/61/19/197396119.db2.gz	XNJVMDKAYPNTSB-AWEZNQCLSA-N	1	0	318.808	2.397	50	70		DEIARO
[NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cc(Br)cs1	ZINC000160152547	197389939	/nfs/dbraw/zinc/38/99/39/197389939.db2.gz	YQWRTZVMXVAFMV-FSIBCCDJSA-N	1	0	315.236	2.474	50	70		DEIARO
Cc1cc([C@H](C)NC(=O)C[NH2+]C[C@@H]2CCCO2)cc(C)c1F	ZINC000161298624	355967466	/nfs/dbraw/zinc/96/74/66/355967466.db2.gz	LPMGGCSOSGFHJJ-ZFWWWQNUSA-N	1	0	308.397	2.388	50	70		DEIARO
[NH3+]C[C@H]1CCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1	ZINC000160324223	402340633	/nfs/dbraw/zinc/34/06/33/402340633.db2.gz	MDEFYCPOTFFJHQ-CYBMUJFWSA-N	1	0	319.405	2.436	50	70		DEIARO
C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1C	ZINC000161340055	402383431	/nfs/dbraw/zinc/38/34/31/402383431.db2.gz	KKQCNPINMGDHKG-CYBMUJFWSA-N	1	0	316.380	2.144	50	70		DEIARO
O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCC[NH2+]1	ZINC000160683249	355965162	/nfs/dbraw/zinc/96/51/62/355965162.db2.gz	QIMSYOLMLMQCGX-RYUDHWBXSA-N	1	0	317.216	2.285	50	70		DEIARO
C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccccc1Br	ZINC000217268462	402291176	/nfs/dbraw/zinc/29/11/76/402291176.db2.gz	UJUMJPCOYTZQSG-LBPRGKRZSA-N	1	0	311.223	2.202	50	70		DEIARO
[NH3+]C[C@H]1CCCN1C(=O)Cc1ccc(F)c(Br)c1	ZINC000160307979	197399041	/nfs/dbraw/zinc/39/90/41/197399041.db2.gz	SMEAGNFSWDLVCP-SNVBAGLBSA-N	1	0	315.186	2.080	50	70		DEIARO
C/C=C/c1ccc(OCC(=O)N2CCC[C@H]2C[NH3+])c(OC)c1	ZINC000160235539	197394792	/nfs/dbraw/zinc/39/47/92/197394792.db2.gz	SQEXEQQOZUENCT-KQIUPUNMSA-N	1	0	304.390	2.057	50	70		DEIARO
C=Cc1ccc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)nc1	ZINC000216978575	402290668	/nfs/dbraw/zinc/29/06/68/402290668.db2.gz	YCGIXJYTACHRRL-GOSISDBHSA-N	1	0	309.413	2.408	50	70		DEIARO
O[C@H]1C[C@@H]([C@H]([NH2+]C2CSCCSC2)c2ccccn2)C1	ZINC000218095075	402295081	/nfs/dbraw/zinc/29/50/81/402295081.db2.gz	KOOTWHCJWSHFQG-WHOFXGATSA-N	1	0	310.488	2.332	50	70		DEIARO
Cc1ccccc1-n1nc(C(=O)N2CCC[C@@H]2C[NH3+])c2c1CCC2	ZINC000160354033	281330563	/nfs/dbraw/zinc/33/05/63/281330563.db2.gz	UOHPEWQBKBWHKA-CQSZACIVSA-N	1	0	324.428	2.233	50	70		DEIARO
COc1ccc(CNC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1	ZINC000161008187	524051972	/nfs/dbraw/zinc/05/19/72/524051972.db2.gz	OGGXBHGYXQWXOQ-OAHLLOKOSA-N	1	0	320.433	2.247	50	70		DEIARO
CSc1ncc(C(=O)NCc2cn3ccc(C)cc3n2)cn1	ZINC000218209956	402294663	/nfs/dbraw/zinc/29/46/63/402294663.db2.gz	ZXFGTUDLDCLHCV-UHFFFAOYSA-N	1	0	313.386	2.085	50	70		DEIARO
O=c1nc(CN2CCCSCC2)[nH]c2sc3c(c21)CCC3	ZINC000161486327	402389427	/nfs/dbraw/zinc/38/94/27/402389427.db2.gz	LLPWQBIOBDAIFZ-UHFFFAOYSA-N	1	0	321.471	2.412	50	70		DEIARO
[NH3+]C[C@@H]1CCCN1C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000160310277	283471089	/nfs/dbraw/zinc/47/10/89/283471089.db2.gz	CUFKIVRLLQPTDC-NSHDSACASA-N	1	0	302.296	2.034	50	70		DEIARO
Cc1nc(COc2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)cs1	ZINC000160282987	197397926	/nfs/dbraw/zinc/39/79/26/197397926.db2.gz	SSZDPFBTAHLAMX-CYBMUJFWSA-N	1	0	317.414	2.204	50	70		DEIARO
O=C(c1ccsc1)N1CCCO[C@H](C[NH+]2CCCCC2)C1	ZINC000217442921	402292455	/nfs/dbraw/zinc/29/24/55/402292455.db2.gz	DZZIDTQDTXTVGE-OAHLLOKOSA-N	1	0	308.447	2.465	50	70		DEIARO
Cc1cc([C@@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)cc(C)c1F	ZINC000161298694	355967612	/nfs/dbraw/zinc/96/76/12/355967612.db2.gz	LPMGGCSOSGFHJJ-UKRRQHHQSA-N	1	0	308.397	2.388	50	70		DEIARO
Cc1c(C(=O)N2CCC[C@@H]2C[NH3+])cnn1-c1cccc(Cl)c1	ZINC000160251642	197395754	/nfs/dbraw/zinc/39/57/54/197395754.db2.gz	XNJVMDKAYPNTSB-CQSZACIVSA-N	1	0	318.808	2.397	50	70		DEIARO
Cc1cc(N2CCN(C(=O)CCc3cccnc3)CC2)cc[nH+]1	ZINC000218458497	402296130	/nfs/dbraw/zinc/29/61/30/402296130.db2.gz	SNBQTERTYLFMSQ-UHFFFAOYSA-N	1	0	310.401	2.066	50	70		DEIARO
O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCC[NH2+]1	ZINC000160680293	402356747	/nfs/dbraw/zinc/35/67/47/402356747.db2.gz	QIMSYOLMLMQCGX-VXGBXAGGSA-N	1	0	317.216	2.285	50	70		DEIARO
Cc1ccc(CCNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)s1	ZINC000218670286	402296313	/nfs/dbraw/zinc/29/63/13/402296313.db2.gz	MDJTYEHSSFZMBX-AWEZNQCLSA-N	1	0	323.506	2.131	50	70		DEIARO
CCc1c(C)nn(CCNc2cc(C3CC([NH3+])C3)ncn2)c1C	ZINC000218761118	402296417	/nfs/dbraw/zinc/29/64/17/402296417.db2.gz	LPTYWLVGPATSLL-UHFFFAOYSA-N	1	0	314.437	2.169	50	70		DEIARO
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1C[NH3+]	ZINC000160291809	290184807	/nfs/dbraw/zinc/18/48/07/290184807.db2.gz	DYXRTRDGDODDPD-WDEREUQCSA-N	1	0	316.323	2.422	50	70		DEIARO
CN(C)c1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1	ZINC000217137632	402291475	/nfs/dbraw/zinc/29/14/75/402291475.db2.gz	LNPILNXHQKJBCH-OAHLLOKOSA-N	1	0	301.434	2.453	50	70		DEIARO
Cc1cccc(CC[N@H+]2CCCn3nc([C@H](C)O)cc3C2)n1	ZINC000217362633	402291943	/nfs/dbraw/zinc/29/19/43/402291943.db2.gz	QSCYFOJDQMJOCO-AWEZNQCLSA-N	1	0	300.406	2.088	50	70		DEIARO
[NH3+]C1CC(c2cc(NCc3cc(-c4cccnc4)no3)ncn2)C1	ZINC000218703434	402296616	/nfs/dbraw/zinc/29/66/16/402296616.db2.gz	CXGAWGXTDILSHS-UHFFFAOYSA-N	1	0	322.372	2.343	50	70		DEIARO
C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1C	ZINC000161340140	402383471	/nfs/dbraw/zinc/38/34/71/402383471.db2.gz	KKQCNPINMGDHKG-ZDUSSCGKSA-N	1	0	316.380	2.144	50	70		DEIARO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](O)c1ccccc1	ZINC000161489403	402389359	/nfs/dbraw/zinc/38/93/59/402389359.db2.gz	UGOURROCLNPOEC-DLTWYDFYSA-N	1	0	304.434	2.203	50	70		DEIARO
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C[NH3+]	ZINC000160292064	290184644	/nfs/dbraw/zinc/18/46/44/290184644.db2.gz	DYXRTRDGDODDPD-QWRGUYRKSA-N	1	0	316.323	2.422	50	70		DEIARO
O=C(C[NH+]1CCCCCCC1)N1CCC[C@H](Cn2ccnc2)C1	ZINC000218024957	402294383	/nfs/dbraw/zinc/29/43/83/402294383.db2.gz	KEIDKQRZVISPSZ-QGZVFWFLSA-N	1	0	318.465	2.388	50	70		DEIARO
COc1ccc(/C=C/C[N@@H+]2CCCn3nc(CO)cc3C2)cc1	ZINC000218147543	402294992	/nfs/dbraw/zinc/29/49/92/402294992.db2.gz	GDZPAYDNAZFZQA-DUXPYHPUSA-N	1	0	313.401	2.303	50	70		DEIARO
CN(Cc1ccccc1F)c1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218250715	402295660	/nfs/dbraw/zinc/29/56/60/402295660.db2.gz	QLGXNNISNCUUQK-UHFFFAOYSA-N	1	0	301.369	2.039	50	70		DEIARO
O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1Cc2ccccc2C[NH2+]1	ZINC000160416007	402344809	/nfs/dbraw/zinc/34/48/09/402344809.db2.gz	BTKYAVUSNRAYKI-KRWDZBQOSA-N	1	0	321.380	2.224	50	70		DEIARO
C[NH2+]CC(=O)Nc1nc2ccccc2n1-c1ccccc1OC	ZINC000160633730	197427534	/nfs/dbraw/zinc/42/75/34/197427534.db2.gz	HCCSNXSVZYZBDR-UHFFFAOYSA-N	1	0	310.357	2.192	50	70		DEIARO
COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1OCCC(C)C	ZINC000160295763	197398647	/nfs/dbraw/zinc/39/86/47/197398647.db2.gz	HZWBXKVRRZRPQN-CQSZACIVSA-N	1	0	306.406	2.293	50	70		DEIARO
CCC(CC)[NH2+][C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1	ZINC000218098681	402295058	/nfs/dbraw/zinc/29/50/58/402295058.db2.gz	XNLIZIHIMBFHQP-HZPDHXFCSA-N	1	0	306.406	2.100	50	70		DEIARO
Cc1ccc(CCNC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)s1	ZINC000218670220	402296228	/nfs/dbraw/zinc/29/62/28/402296228.db2.gz	MDJTYEHSSFZMBX-CQSZACIVSA-N	1	0	323.506	2.131	50	70		DEIARO
C[C@H]1CN(C(=O)CCc2ccc(Br)cc2)CC[NH2+]1	ZINC000217268516	201514205	/nfs/dbraw/zinc/51/42/05/201514205.db2.gz	MVZJCJSFBJXXMK-NSHDSACASA-N	1	0	311.223	2.202	50	70		DEIARO
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3CC[NH2+]CC3)C2)cc1	ZINC000161311002	197483853	/nfs/dbraw/zinc/48/38/53/197483853.db2.gz	LZDZGKWDZKYMNO-CZUORRHYSA-N	1	0	302.418	2.399	50	70		DEIARO
Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)no1	ZINC000218250167	402295538	/nfs/dbraw/zinc/29/55/38/402295538.db2.gz	XJXQMJOJOVLHMU-CYBMUJFWSA-N	1	0	303.362	2.104	50	70		DEIARO
COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CSCN3)C2)cc1	ZINC000161309625	402382132	/nfs/dbraw/zinc/38/21/32/402382132.db2.gz	OOYZJFIWMDNLNQ-LNSITVRQSA-N	1	0	306.431	2.062	50	70		DEIARO