smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncn(CCNC(=O)CN2CCOC2=O)c1C	ZINC000217350392	351947200	/nfs/dbraw/zinc/94/72/00/351947200.db2.gz	VJHNFEPVIFRACO-UHFFFAOYSA-N	1	0	266.301	0.068	50	70		CCIARO
[NH3+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000160263157	283473475	/nfs/dbraw/zinc/47/34/75/283473475.db2.gz	PJGQWVHZQHXEHB-LBPRGKRZSA-N	1	0	289.314	0.970	50	70		CCIARO
C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1F	ZINC000217770772	256853583	/nfs/dbraw/zinc/85/35/83/256853583.db2.gz	OJACQRSPFAQMLT-VMAXQDLPSA-N	1	0	270.279	0.865	50	70		CCIARO
CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cn[nH]c1	ZINC000160153592	517517525	/nfs/dbraw/zinc/51/75/25/517517525.db2.gz	OHNRJHYHYHNJQT-CWSCBRNRSA-N	1	0	264.329	0.881	50	70		CCIARO
C[NH+](C)[C@H]1CCN(c2cc(C3CC(O)C3)ncn2)C1	ZINC000218544218	351959918	/nfs/dbraw/zinc/95/99/18/351959918.db2.gz	LGFPXWUYZMYNHP-CXQJBGSLSA-N	1	0	262.357	0.855	50	70		CCIARO
C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)OCCO2	ZINC000217839122	351951465	/nfs/dbraw/zinc/95/14/65/351951465.db2.gz	KCJKLJSHPBCVFV-MVWJERBFSA-N	1	0	292.335	0.358	50	70		CCIARO
Cc1cc(C)c(CNC(=O)CN2CCC[N@@H+](C)CC2)cn1	ZINC000218078962	256891505	/nfs/dbraw/zinc/89/15/05/256891505.db2.gz	YEYUIAIKQKRLGP-UHFFFAOYSA-N	1	0	290.411	0.952	50	70		CCIARO
CC(C)C[N@@H+]1CCN(Cc2cnc(N)nc2)C[C@@H](O)C1	ZINC000216929231	389133961	/nfs/dbraw/zinc/13/39/61/389133961.db2.gz	XPZBYCGLEZEIPI-ZDUSSCGKSA-N	1	0	279.388	0.193	50	70		CCIARO
Nc1ncccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1	ZINC000216932331	389134008	/nfs/dbraw/zinc/13/40/08/389134008.db2.gz	YTNOYYAUMNWLTK-GFCCVEGCSA-N	1	0	263.341	0.780	50	70		CCIARO
Cn1nccc1CCNC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216996421	351943972	/nfs/dbraw/zinc/94/39/72/351943972.db2.gz	FRRONAWTGCYRBY-LLVKDONJSA-N	1	0	250.346	0.421	50	70		CCIARO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCc1cccc(O)c1	ZINC000217626674	351949099	/nfs/dbraw/zinc/94/90/99/351949099.db2.gz	ZDYKLSFIAWTSCH-AWEZNQCLSA-N	1	0	291.395	0.687	50	70		CCIARO
CSc1ncc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)cn1	ZINC000218495514	351959005	/nfs/dbraw/zinc/95/90/05/351959005.db2.gz	CXISYNZEVUTZCW-JTQLQIEISA-N	1	0	296.396	0.507	50	70		CCIARO
CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1	ZINC000160218703	350697255	/nfs/dbraw/zinc/69/72/55/350697255.db2.gz	OIFBQOXGOVTTEK-CHWSQXEVSA-N	1	0	296.392	0.202	50	70		CCIARO
Cc1c[nH+]ccc1NCCNC(=O)c1cnc(C)[nH]c1=O	ZINC000218288332	351957652	/nfs/dbraw/zinc/95/76/52/351957652.db2.gz	OHPPCBGNCUTEPW-UHFFFAOYSA-N	1	0	287.323	0.624	50	70		CCIARO
COc1ccc(CCCC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1	ZINC000218657639	351960735	/nfs/dbraw/zinc/96/07/35/351960735.db2.gz	PTUKSTXPIRVHLE-HUUCEWRRSA-N	1	0	292.379	0.857	50	70		CCIARO
CCc1nc(N)sc1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	ZINC000217407858	351947922	/nfs/dbraw/zinc/94/79/22/351947922.db2.gz	QSWPUVXJERBXEH-BQBZGAKWSA-N	1	0	272.349	0.718	50	70		CCIARO
O=C(Cc1ccc(O)c(Cl)c1)NC[C@@]1(O)CC[NH2+]C1	ZINC000217789248	534699973	/nfs/dbraw/zinc/69/99/73/534699973.db2.gz	OLZZEKCWTAJWRH-CYBMUJFWSA-N	1	0	284.743	0.429	50	70		CCIARO
CCc1nccn1CCC(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1OC	ZINC000218496837	351958973	/nfs/dbraw/zinc/95/89/73/351958973.db2.gz	GTKOFPIQIOOBQJ-STQMWFEESA-N	1	0	294.399	0.671	50	70		CCIARO
Cc1nccc(N2CC[N@@H+](C3CCOCC3)C[C@@H](O)C2)n1	ZINC000217957919	351952663	/nfs/dbraw/zinc/95/26/63/351952663.db2.gz	FMLLKAYRXSOAOB-CQSZACIVSA-N	1	0	292.383	0.447	50	70		CCIARO
[NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1[nH]nc2ccccc21	ZINC000218231105	351956126	/nfs/dbraw/zinc/95/61/26/351956126.db2.gz	HOPHHGINBUOFHZ-MWKLQFHZSA-N	1	0	272.308	0.407	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cc(CO)ccn1)C2	ZINC000217491551	189710464	/nfs/dbraw/zinc/71/04/64/189710464.db2.gz	DXOMYRYPIGEFQF-NHAGDIPZSA-N	1	0	289.379	0.986	50	70		CCIARO
C[C@H](O)c1cc2n(n1)CCC[N@H+](CCn1cncn1)C2	ZINC000217460703	351948251	/nfs/dbraw/zinc/94/82/51/351948251.db2.gz	NQIQKDLRNUAYKL-NSHDSACASA-N	1	0	276.344	0.434	50	70		CCIARO
CC(=O)N1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1	ZINC000218306991	351957301	/nfs/dbraw/zinc/95/73/01/351957301.db2.gz	ISGWLQAFEQRXKO-UHFFFAOYSA-N	1	0	275.356	0.350	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1cccnc1	ZINC000218506150	351958916	/nfs/dbraw/zinc/95/89/16/351958916.db2.gz	JSNKUJMGRLRODB-SLBVQIDZSA-N	1	0	289.379	0.848	50	70		CCIARO
CSc1ncc(C(=O)NC[C@H]2COCC[N@H+](C)C2)cn1	ZINC000218495594	351959305	/nfs/dbraw/zinc/95/93/05/351959305.db2.gz	CXISYNZEVUTZCW-SNVBAGLBSA-N	1	0	296.396	0.507	50	70		CCIARO
COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000217905831	256853556	/nfs/dbraw/zinc/85/35/56/256853556.db2.gz	WSPIYGYIVBKHAH-XRNSZHNASA-N	1	0	282.315	0.734	50	70		CCIARO
CNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1	ZINC000159751323	277250920	/nfs/dbraw/zinc/25/09/20/277250920.db2.gz	SKPUZGFHQFGAFP-KBPBESRZSA-N	1	0	289.379	0.541	50	70		CCIARO
C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccon1	ZINC000218393450	351958221	/nfs/dbraw/zinc/95/82/21/351958221.db2.gz	CCXJOQQGMSTPCG-NSHDSACASA-N	1	0	267.329	0.601	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)NCc1ccco1	ZINC000218531740	351959760	/nfs/dbraw/zinc/95/97/60/351959760.db2.gz	WQXUWTXHOAKBFY-YVECIDJPSA-N	1	0	279.340	0.796	50	70		CCIARO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21c2ccccc2NC1=O	ZINC000217549933	285175374	/nfs/dbraw/zinc/17/53/74/285175374.db2.gz	QKIYMDNBGNAZDY-CLQONRBTSA-N	1	0	299.330	0.447	50	70		CCIARO
O=C(Cc1ccc(O)c(Cl)c1)NC[C@]1(O)CC[NH2+]C1	ZINC000217789337	534699400	/nfs/dbraw/zinc/69/94/00/534699400.db2.gz	OLZZEKCWTAJWRH-ZDUSSCGKSA-N	1	0	284.743	0.429	50	70		CCIARO
O=C(c1ccc(-n2cnnn2)cc1Cl)N1CC[NH2+]CC1	ZINC000159376639	350676832	/nfs/dbraw/zinc/67/68/32/350676832.db2.gz	AMNWBKTUAXJDDW-UHFFFAOYSA-N	1	0	292.730	0.361	50	70		CCIARO
Cn1nccc1CCNC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216996431	351944083	/nfs/dbraw/zinc/94/40/83/351944083.db2.gz	FRRONAWTGCYRBY-NSHDSACASA-N	1	0	250.346	0.421	50	70		CCIARO
Cc1cc(C(=O)N2CC[NH2+]CC2)ccc1-n1cncn1	ZINC000159454093	389367410	/nfs/dbraw/zinc/36/74/10/389367410.db2.gz	JSAOPRKKINQUNK-UHFFFAOYSA-N	1	0	271.324	0.621	50	70		CCIARO
CS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCC[NH2+]2)cc1	ZINC000161001160	350710275	/nfs/dbraw/zinc/71/02/75/350710275.db2.gz	TULQEMILMPHRPX-ZDUSSCGKSA-N	1	0	296.392	0.501	50	70		CCIARO
Cc1cc(=O)cc(C(=O)NC[C@@H]2CCC[N@H+](CCO)C2)o1	ZINC000218127809	351955116	/nfs/dbraw/zinc/95/51/16/351955116.db2.gz	WBNAZFCWJRUICD-LBPRGKRZSA-N	1	0	294.351	0.382	50	70		CCIARO
C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccon1	ZINC000218393533	351958023	/nfs/dbraw/zinc/95/80/23/351958023.db2.gz	CCXJOQQGMSTPCG-LLVKDONJSA-N	1	0	267.329	0.601	50	70		CCIARO
CN(CCn1cccn1)c1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218458809	351958839	/nfs/dbraw/zinc/95/88/39/351958839.db2.gz	VRYQOILQFPGNIN-UHFFFAOYSA-N	1	0	287.371	0.596	50	70		CCIARO
Nc1nc(NCCn2ccnc2)cc(C2CC([NH3+])C2)n1	ZINC000218518195	351959191	/nfs/dbraw/zinc/95/91/91/351959191.db2.gz	UKGVJNMOWCBHKG-UHFFFAOYSA-N	1	0	273.344	0.572	50	70		CCIARO
CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc2c(c1)OCO2	ZINC000218738579	351961014	/nfs/dbraw/zinc/96/10/14/351961014.db2.gz	QNJDEGQWAJSSDQ-FZMZJTMJSA-N	1	0	292.335	0.864	50	70		CCIARO
CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1	ZINC000159751181	188440385	/nfs/dbraw/zinc/44/03/85/188440385.db2.gz	SKPUZGFHQFGAFP-KGLIPLIRSA-N	1	0	289.379	0.541	50	70		CCIARO
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CCCC[NH2+]1)CC2	ZINC000160748803	389398584	/nfs/dbraw/zinc/39/85/84/389398584.db2.gz	MZOGYFORUYYSGX-BFHYXJOUSA-N	1	0	296.411	0.907	50	70		CCIARO
O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1CC[NH2+]C1	ZINC000218408391	351958066	/nfs/dbraw/zinc/95/80/66/351958066.db2.gz	YEUOANDZCXJQON-NSHDSACASA-N	1	0	271.320	0.480	50	70		CCIARO
O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1c[nH]c(=O)cn1	ZINC000218255067	389136691	/nfs/dbraw/zinc/13/66/91/389136691.db2.gz	MFNLUIXXSMAXKS-RYUDHWBXSA-N	1	0	292.339	0.165	50	70		CCIARO
CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cn[nH]c1	ZINC000160153848	389381419	/nfs/dbraw/zinc/38/14/19/389381419.db2.gz	OHNRJHYHYHNJQT-BREBYQMCSA-N	1	0	264.329	0.881	50	70		CCIARO
Cc1cc(CNC(=O)CC[N@@H+](C)[C@@H]2CCN(C)C2)no1	ZINC000218074980	351954259	/nfs/dbraw/zinc/95/42/59/351954259.db2.gz	NFAJYMVWTAIJMW-CYBMUJFWSA-N	1	0	280.372	0.625	50	70		CCIARO
CN(Cc1cnn(C)c1)c1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218761058	351962094	/nfs/dbraw/zinc/96/20/94/351962094.db2.gz	YWGSXLCHACCSER-UHFFFAOYSA-N	1	0	287.371	0.633	50	70		CCIARO
NC(=O)c1cccc(OCCC(=O)N2CC[C@@H]([NH3+])C2)c1	ZINC000160319948	397417543	/nfs/dbraw/zinc/41/75/43/397417543.db2.gz	CGKBPUWWXOODNC-LLVKDONJSA-N	1	0	277.324	0.114	50	70		CCIARO
CCNc1nc(C)c(C(=O)NC[C@@]2(O)CC[NH2+]C2)s1	ZINC000216967325	351944167	/nfs/dbraw/zinc/94/41/67/351944167.db2.gz	QLSRCJCNMAZKID-GFCCVEGCSA-N	1	0	284.385	0.338	50	70		CCIARO
C[N@@H+]1CCCN(CC(=O)NCCc2cscn2)CC1	ZINC000218567870	351959734	/nfs/dbraw/zinc/95/97/34/351959734.db2.gz	VJVZMWXLAQWNSO-UHFFFAOYSA-N	1	0	282.413	0.439	50	70		CCIARO
O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCC[NH2+]C1	ZINC000161326463	188522008	/nfs/dbraw/zinc/52/20/08/188522008.db2.gz	ZQZOENSCGLPSDS-IUCAKERBSA-N	1	0	293.289	0.265	50	70		CCIARO
CC[NH+]1CCN(CC(=O)NCc2cc(OC)ccn2)CC1	ZINC000217451950	351947504	/nfs/dbraw/zinc/94/75/04/351947504.db2.gz	WOZHWVYDECSVNU-UHFFFAOYSA-N	1	0	292.383	0.344	50	70		CCIARO
O=C(C1CCC1)N1CCC([NH2+][C@@H]2COCC[C@H]2O)CC1	ZINC000217154822	351945442	/nfs/dbraw/zinc/94/54/42/351945442.db2.gz	YHLANJACVLXXRX-ZIAGYGMSSA-N	1	0	282.384	0.517	50	70		CCIARO
OCc1cc2n(n1)CC[N@H+](CCc1cscn1)C2	ZINC000217355595	351946786	/nfs/dbraw/zinc/94/67/86/351946786.db2.gz	PKSNMAIYUNBURL-UHFFFAOYSA-N	1	0	264.354	0.890	50	70		CCIARO
C[C@@H](CCC(=O)N(C)Cc1ncc[nH]1)[NH+]1CCOCC1	ZINC000218753844	351961247	/nfs/dbraw/zinc/96/12/47/351961247.db2.gz	DRNQWTFKAIUOAI-LBPRGKRZSA-N	1	0	280.372	0.869	50	70		CCIARO
O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2n[nH]nc2c1	ZINC000217054547	351944978	/nfs/dbraw/zinc/94/49/78/351944978.db2.gz	CXAAVQFOXGJBEC-IUCAKERBSA-N	1	0	263.276	0.388	50	70		CCIARO
C[C@@H](C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)[NH+](C)C	ZINC000217492190	351948310	/nfs/dbraw/zinc/94/83/10/351948310.db2.gz	SZFAXUZEZFNRKD-VIFPVBQESA-N	1	0	266.345	0.505	50	70		CCIARO
CCOCCn1nc(C)cc1C(=O)NCC[NH2+]C	ZINC000218430746	351958329	/nfs/dbraw/zinc/95/83/29/351958329.db2.gz	PQQKEVVNZQIBEZ-UHFFFAOYSA-N	1	0	254.334	0.177	50	70		CCIARO
Cc1noc(C)c1CC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C	ZINC000218741253	351960863	/nfs/dbraw/zinc/96/08/63/351960863.db2.gz	AMQQHNVICFWXEW-AQNFWKISSA-N	1	0	293.367	0.668	50	70		CCIARO
CCNc1nc(C)c(C(=O)NC[C@]2(O)CC[NH2+]C2)s1	ZINC000216967341	189707884	/nfs/dbraw/zinc/70/78/84/189707884.db2.gz	QLSRCJCNMAZKID-LBPRGKRZSA-N	1	0	284.385	0.338	50	70		CCIARO
CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1	ZINC000160218580	350696999	/nfs/dbraw/zinc/69/69/99/350696999.db2.gz	OIFBQOXGOVTTEK-OLZOCXBDSA-N	1	0	296.392	0.202	50	70		CCIARO
COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2cccc(N)n2)C1	ZINC000217015452	351944262	/nfs/dbraw/zinc/94/42/62/351944262.db2.gz	VLYXAJBLOKNCGM-LBPRGKRZSA-N	1	0	292.383	0.704	50	70		CCIARO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(O)cc1	ZINC000216987452	277101443	/nfs/dbraw/zinc/10/14/43/277101443.db2.gz	BRQIAZMGUKYWTQ-LBPRGKRZSA-N	1	0	263.341	0.368	50	70		CCIARO
C[C@H](Cn1cccn1)NC(=O)CC[NH+]1CCN(C)CC1	ZINC000218086360	389135854	/nfs/dbraw/zinc/13/58/54/389135854.db2.gz	PSCQURWHARSSFE-CYBMUJFWSA-N	1	0	279.388	0.025	50	70		CCIARO
Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1C[NH3+]	ZINC000160333474	389386832	/nfs/dbraw/zinc/38/68/32/389386832.db2.gz	VNHFYJGABIAQQU-NSHDSACASA-N	1	0	266.345	0.365	50	70		CCIARO
C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1	ZINC000161351350	264278506	/nfs/dbraw/zinc/27/85/06/264278506.db2.gz	OOYVYTREONHEMO-LBPRGKRZSA-N	1	0	289.383	0.901	50	70		CCIARO
OCc1cc2n(n1)CCC[N@H+](CCn1ccnc1)C2	ZINC000217201848	351945915	/nfs/dbraw/zinc/94/59/15/351945915.db2.gz	FPEGURJWOBBYPX-UHFFFAOYSA-N	1	0	261.329	0.478	50	70		CCIARO
C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc2c(c1)OCCO2	ZINC000217838978	351951557	/nfs/dbraw/zinc/95/15/57/351951557.db2.gz	KCJKLJSHPBCVFV-WCQGTBRESA-N	1	0	292.335	0.358	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cncc(F)c1	ZINC000218338216	351957497	/nfs/dbraw/zinc/95/74/97/351957497.db2.gz	ISHNFQICHNIRPD-YVECIDJPSA-N	1	0	279.315	0.668	50	70		CCIARO
O=C(N[C@@H]1CCOc2ccccc21)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217855407	274986650	/nfs/dbraw/zinc/98/66/50/274986650.db2.gz	BSDHOOLTQBRIQV-YUSALJHKSA-N	1	0	262.309	0.349	50	70		CCIARO
COC(=O)[C@H]1CN(CCC[NH+]2CCCCC2)CCO1	ZINC000161329072	329528449	/nfs/dbraw/zinc/52/84/49/329528449.db2.gz	BOQJXGQNUTVGMH-CYBMUJFWSA-N	1	0	270.373	0.736	50	70		CCIARO
CNc1cc(C)[nH+]c(N2CCCn3nc(CO)cc3C2)n1	ZINC000217389264	351947980	/nfs/dbraw/zinc/94/79/80/351947980.db2.gz	MYUWFMHYIDYNLG-UHFFFAOYSA-N	1	0	288.355	0.926	50	70		CCIARO
O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000217855304	389134829	/nfs/dbraw/zinc/13/48/29/389134829.db2.gz	BSDHOOLTQBRIQV-JLLWLGSASA-N	1	0	262.309	0.349	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc(C2CC2)no1	ZINC000218590684	389136335	/nfs/dbraw/zinc/13/63/35/389136335.db2.gz	KMXSWOMOJSVWGT-GJQVQUKXSA-N	1	0	291.351	0.999	50	70		CCIARO
COc1ccc(OCC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2OC)cc1	ZINC000218735722	351961187	/nfs/dbraw/zinc/96/11/87/351961187.db2.gz	NQNXBMYVPJLTJW-KBPBESRZSA-N	1	0	294.351	0.519	50	70		CCIARO
COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1F	ZINC000217856561	389134759	/nfs/dbraw/zinc/13/47/59/389134759.db2.gz	QQKKFUSTCATNRR-XRNSZHNASA-N	1	0	282.315	0.734	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCCn1ccnc1	ZINC000218467457	351958992	/nfs/dbraw/zinc/95/89/92/351958992.db2.gz	NOJWZZBSWLVIDX-FAAHXZRKSA-N	1	0	292.383	0.497	50	70		CCIARO
CNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1	ZINC000159750916	389372773	/nfs/dbraw/zinc/37/27/73/389372773.db2.gz	SKPUZGFHQFGAFP-ZIAGYGMSSA-N	1	0	289.379	0.541	50	70		CCIARO
C[C@H](C(=O)NCC[NH+](C)C)n1cnc2ccccc2c1=O	ZINC000218106608	351955190	/nfs/dbraw/zinc/95/51/90/351955190.db2.gz	KSPMWIXCLASZPE-LLVKDONJSA-N	1	0	288.351	0.635	50	70	biogenic	CCIARO
CC[C@H](C)[C@H]([NH3+])C(=O)NCCCc1cnn(C)c1	ZINC000218756492	351962135	/nfs/dbraw/zinc/96/21/35/351962135.db2.gz	JVGVPARCEGOLLF-JQWIXIFHSA-N	1	0	252.362	0.842	50	70		CCIARO
Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1C[NH3+]	ZINC000160333338	389386825	/nfs/dbraw/zinc/38/68/25/389386825.db2.gz	VNHFYJGABIAQQU-LLVKDONJSA-N	1	0	266.345	0.365	50	70		CCIARO
COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2cccc(N)n2)C1	ZINC000217015496	351944208	/nfs/dbraw/zinc/94/42/08/351944208.db2.gz	VLYXAJBLOKNCGM-GFCCVEGCSA-N	1	0	292.383	0.704	50	70		CCIARO
CCn1ncnc1[C@H](C)NC(=O)C[NH+]1CCCC1	ZINC000218395270	351958106	/nfs/dbraw/zinc/95/81/06/351958106.db2.gz	RPDCCQPUFYXCSL-JTQLQIEISA-N	1	0	251.334	0.571	50	70		CCIARO
CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1nc(C)c[nH]1	ZINC000218189906	389135714	/nfs/dbraw/zinc/13/57/14/389135714.db2.gz	BCQVSFUXGLHLJG-QWRGUYRKSA-N	1	0	266.345	0.556	50	70		CCIARO
CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CCCC[NH2+]1)CC2	ZINC000160747325	286295138	/nfs/dbraw/zinc/29/51/38/286295138.db2.gz	MZOGYFORUYYSGX-MGPQQGTHSA-N	1	0	296.411	0.907	50	70		CCIARO
O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCC[NH2+]C1	ZINC000161326333	350718925	/nfs/dbraw/zinc/71/89/25/350718925.db2.gz	ZQZOENSCGLPSDS-RKDXNWHRSA-N	1	0	293.289	0.265	50	70		CCIARO
C[C@@H](O)c1cc2n(n1)CCC[N@H+](CCn1cncn1)C2	ZINC000217460629	351947907	/nfs/dbraw/zinc/94/79/07/351947907.db2.gz	NQIQKDLRNUAYKL-LLVKDONJSA-N	1	0	276.344	0.434	50	70		CCIARO
CCn1ncnc1[C@@H](C)NC(=O)C[NH+]1CCCC1	ZINC000218395201	351958407	/nfs/dbraw/zinc/95/84/07/351958407.db2.gz	RPDCCQPUFYXCSL-SNVBAGLBSA-N	1	0	251.334	0.571	50	70		CCIARO
C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CNC(N)=O)cc1	ZINC000161181525	188513044	/nfs/dbraw/zinc/51/30/44/188513044.db2.gz	GTNSOZBMKVBFDZ-CYBMUJFWSA-N	1	0	290.367	0.679	50	70		CCIARO
CC(C)Cc1cc(C(=O)NCCC[NH3+])[nH]c(=O)n1	ZINC000218133653	189713971	/nfs/dbraw/zinc/71/39/71/189713971.db2.gz	NITURTALDAUQNB-UHFFFAOYSA-N	1	0	252.318	0.047	50	70		CCIARO
COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1F	ZINC000217856708	389135111	/nfs/dbraw/zinc/13/51/11/389135111.db2.gz	QQKKFUSTCATNRR-MKPLZMMCSA-N	1	0	282.315	0.734	50	70		CCIARO
CN(CC(=O)N[C@@H]1C[C@@H]2OCC[C@H]12)Cc1ccncc1	ZINC000217804766	351951505	/nfs/dbraw/zinc/95/15/05/351951505.db2.gz	WOGXMUUWXPYVLA-MCIONIFRSA-N	1	0	275.352	0.807	50	70		CCIARO
COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217905993	351951669	/nfs/dbraw/zinc/95/16/69/351951669.db2.gz	WSPIYGYIVBKHAH-MKPLZMMCSA-N	1	0	282.315	0.734	50	70		CCIARO
CC(C)(C)NC(=O)CNc1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218620810	351960910	/nfs/dbraw/zinc/96/09/10/351960910.db2.gz	DJLBOOJDGVHMEL-UHFFFAOYSA-N	1	0	292.387	0.590	50	70		CCIARO
COc1ccc(C(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c(OC)c1	ZINC000218747269	351961045	/nfs/dbraw/zinc/96/10/45/351961045.db2.gz	FUBZBFGOKMKZAE-MNOVXSKESA-N	1	0	294.351	0.499	50	70		CCIARO
COC(=O)c1c[nH]c(=O)c(C(=O)OC)c1C=C[NH+](C)C	ZINC000216962008	351943753	/nfs/dbraw/zinc/94/37/53/351943753.db2.gz	NQTBXSOQWOMYDU-AATRIKPKSA-N	1	0	280.280	0.893	50	70		CCIARO
O=C(N[C@@H]1CCCc2ccccc21)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000217839322	389134868	/nfs/dbraw/zinc/13/48/68/389134868.db2.gz	UGCLREBUTZGZSP-MRVWCRGKSA-N	1	0	260.337	0.903	50	70		CCIARO
[NH3+][C@@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1	ZINC000160223244	389383566	/nfs/dbraw/zinc/38/35/66/389383566.db2.gz	KZMXILVHJQWLNJ-GFCCVEGCSA-N	1	0	273.336	0.987	50	70		CCIARO
Cc1nccn1CC(=O)N(C)CC1CC[NH+](CCO)CC1	ZINC000218007848	262345212	/nfs/dbraw/zinc/34/52/12/262345212.db2.gz	NCYDXYIOIWWGGK-UHFFFAOYSA-N	1	0	294.399	0.354	50	70		CCIARO
C/C=C/C[N@@H+]1CCN(Cc2nncn2C(C)C)C[C@@H](O)C1	ZINC000217114178	351944706	/nfs/dbraw/zinc/94/47/06/351944706.db2.gz	CFPJMWIWZLIWAO-NNTXTVRGSA-N	1	0	293.415	0.914	50	70		CCIARO
C[C@H](CCC(=O)N(C)Cc1ncc[nH]1)[NH+]1CCOCC1	ZINC000218753884	351960745	/nfs/dbraw/zinc/96/07/45/351960745.db2.gz	DRNQWTFKAIUOAI-GFCCVEGCSA-N	1	0	280.372	0.869	50	70		CCIARO
C[C@H](C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1)[NH+](C)C	ZINC000217492278	189710483	/nfs/dbraw/zinc/71/04/83/189710483.db2.gz	SZFAXUZEZFNRKD-SECBINFHSA-N	1	0	266.345	0.505	50	70		CCIARO
C[N@H+](CCN1CCOC[C@@H]1C(N)=O)Cc1ccc(F)cc1	ZINC000161375892	389406215	/nfs/dbraw/zinc/40/62/15/389406215.db2.gz	OBWZHDSJNPIWNQ-CQSZACIVSA-N	1	0	295.358	0.444	50	70		CCIARO
CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc[nH]c1=O	ZINC000218244463	351956099	/nfs/dbraw/zinc/95/60/99/351956099.db2.gz	PKQVXQQPKMGNLO-QWRGUYRKSA-N	1	0	265.313	0.236	50	70		CCIARO
Cc1n[nH]cc1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218709393	351961117	/nfs/dbraw/zinc/96/11/17/351961117.db2.gz	QXZWBURQQFMAFW-UHFFFAOYSA-N	1	0	287.371	0.931	50	70		CCIARO
NC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1	ZINC000160267464	389384648	/nfs/dbraw/zinc/38/46/48/389384648.db2.gz	UWFXMLFTUFWNSR-MJRJWQSSSA-N	1	0	259.309	0.358	50	70		CCIARO
OCc1cc2n(n1)CCC[N@H+](CCn1cccn1)C2	ZINC000217114887	351945047	/nfs/dbraw/zinc/94/50/47/351945047.db2.gz	NTNVCEAZSIFNLM-UHFFFAOYSA-N	1	0	261.329	0.478	50	70		CCIARO
CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccn(C(F)F)n1	ZINC000218636186	351961096	/nfs/dbraw/zinc/96/10/96/351961096.db2.gz	SFAXOQPOBKLJNW-UWVGGRQHSA-N	1	0	288.298	0.727	50	70		CCIARO
Cc1c[nH]c(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)n1	ZINC000217734426	351950613	/nfs/dbraw/zinc/95/06/13/351950613.db2.gz	KMTUQKFQUYFGQQ-UHFFFAOYSA-N	1	0	292.383	0.779	50	70		CCIARO
OCc1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2	ZINC000217905945	389134768	/nfs/dbraw/zinc/13/47/68/389134768.db2.gz	ZMLMEBHMJNWKGL-UHFFFAOYSA-N	1	0	251.330	0.760	50	70		CCIARO
NC(=O)NCC(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000217391229	351947407	/nfs/dbraw/zinc/94/74/07/351947407.db2.gz	KVDIXAQTEOFLLH-UHFFFAOYSA-N	1	0	290.367	0.567	50	70		CCIARO
CCc1noc(CC)c1CC(=O)N1CC[C@@H]([NH3+])C1	ZINC000160217553	389383333	/nfs/dbraw/zinc/38/33/33/389383333.db2.gz	WEPNJZWHGCHACB-SECBINFHSA-N	1	0	251.330	0.902	50	70		CCIARO
C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(N)=O)nc1	ZINC000161379282	389406693	/nfs/dbraw/zinc/40/66/93/389406693.db2.gz	HRYQJDDGHFKMDU-SNVBAGLBSA-N	1	0	262.313	0.005	50	70		CCIARO
Cn1cnc2cc(C(=O)NCCn3ccnc3)cnc21	ZINC000160112643	350695252	/nfs/dbraw/zinc/69/52/52/350695252.db2.gz	ITHFHPLXOJGFAQ-UHFFFAOYSA-N	1	0	270.296	0.595	50	70		CCIARO
C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(N)n3)C[C@H]12	ZINC000217613869	351949203	/nfs/dbraw/zinc/94/92/03/351949203.db2.gz	RTODJUKFOXPBHM-RTCCRHLQSA-N	1	0	260.341	0.543	50	70		CCIARO
COC(=O)[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1	ZINC000161328955	329528380	/nfs/dbraw/zinc/52/83/80/329528380.db2.gz	BOQJXGQNUTVGMH-ZDUSSCGKSA-N	1	0	270.373	0.736	50	70		CCIARO
O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCC[NH2+]C1	ZINC000161326573	350718975	/nfs/dbraw/zinc/71/89/75/350718975.db2.gz	ZQZOENSCGLPSDS-BDAKNGLRSA-N	1	0	293.289	0.265	50	70		CCIARO
CC(C)C[N@@H+]1CCN(c2nc(C(N)=O)cs2)C[C@@H](O)C1	ZINC000216967390	351943985	/nfs/dbraw/zinc/94/39/85/351943985.db2.gz	HRVRSPLPVDYOQI-JTQLQIEISA-N	1	0	298.412	0.381	50	70		CCIARO
CC(C)C[C@H]([NH3+])C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000161482929	188530307	/nfs/dbraw/zinc/53/03/07/188530307.db2.gz	ZUFRTCJUCMRWEF-JTQLQIEISA-N	1	0	276.402	0.395	50	70		CCIARO
COC(C[NH+]1CCC(C(=O)NC(C)C)CC1)OC	ZINC000160759506	350706065	/nfs/dbraw/zinc/70/60/65/350706065.db2.gz	NYYHEDPOGGDXAP-UHFFFAOYSA-N	1	0	258.362	0.842	50	70		CCIARO
CCC[N@@H+]1CCN(c2ncc(F)c(NC)n2)C[C@@H](O)C1	ZINC000217170975	351945296	/nfs/dbraw/zinc/94/52/96/351945296.db2.gz	OAZZJLVXADDKNZ-JTQLQIEISA-N	1	0	283.351	0.550	50	70		CCIARO
COCCOc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1	ZINC000160180117	188458662	/nfs/dbraw/zinc/45/86/62/188458662.db2.gz	JVJDECHGJBWVKD-GFCCVEGCSA-N	1	0	264.325	0.885	50	70		CCIARO
O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCC[NH2+]C1	ZINC000161326216	188521697	/nfs/dbraw/zinc/52/16/97/188521697.db2.gz	ZQZOENSCGLPSDS-DTWKUNHWSA-N	1	0	293.289	0.265	50	70		CCIARO
OC1(C[NH2+]Cc2cnc3ccccn23)CCOCC1	ZINC000216829848	397433556	/nfs/dbraw/zinc/43/35/56/397433556.db2.gz	WGEMRDBNERTMER-UHFFFAOYSA-N	1	0	261.325	0.965	50	70		CCIARO
C[NH+](C)CCCNc1c(=O)c(=O)c1N1CCSCC1	ZINC000218372731	351957146	/nfs/dbraw/zinc/95/71/46/351957146.db2.gz	AVDPAXCMXYEZKQ-UHFFFAOYSA-N	1	0	283.397	0.199	50	70		CCIARO
O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccnc1	ZINC000160283274	389385365	/nfs/dbraw/zinc/38/53/65/389385365.db2.gz	FFNMCUXSSUFMFK-ZDUSSCGKSA-N	1	0	263.341	0.658	50	70		CCIARO
O=C(NCC1CC[NH+](CCO)CC1)C1CCCC1	ZINC000160697200	389396881	/nfs/dbraw/zinc/39/68/81/389396881.db2.gz	WDUFFTVULISTKB-UHFFFAOYSA-N	1	0	254.374	0.997	50	70		CCIARO
C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2O)c1	ZINC000218542972	351960308	/nfs/dbraw/zinc/96/03/08/351960308.db2.gz	MHAPBWWGWKPMKM-ZIAGYGMSSA-N	1	0	278.352	0.628	50	70		CCIARO
Cc1nc[nH]c1CNc1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218057247	351954372	/nfs/dbraw/zinc/95/43/72/351954372.db2.gz	NNQPWJRXMHSQPJ-UHFFFAOYSA-N	1	0	273.344	0.907	50	70		CCIARO
Nc1nc(N2CCSCC2)cc(C2CC(O)C2)[nH+]1	ZINC000218657538	351960761	/nfs/dbraw/zinc/96/07/61/351960761.db2.gz	ALHVRUHSFOWULC-UHFFFAOYSA-N	1	0	266.370	0.850	50	70		CCIARO
CN(CCc1ncon1)C(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000217402079	351948082	/nfs/dbraw/zinc/94/80/82/351948082.db2.gz	LMFWSHSQFLKKGL-SNVBAGLBSA-N	1	0	252.318	0.412	50	70		CCIARO
C[NH+](C)CCN1CCN(c2ccc(Cl)cn2)C[C@@H](O)C1	ZINC000217033019	351943862	/nfs/dbraw/zinc/94/38/62/351943862.db2.gz	HPYMKGYGPYQAHG-ZDUSSCGKSA-N	1	0	298.818	0.780	50	70		CCIARO
[NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1	ZINC000160256995	389384256	/nfs/dbraw/zinc/38/42/56/389384256.db2.gz	YSEXQMFLGMJJES-SNVBAGLBSA-N	1	0	275.287	0.580	50	70		CCIARO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CCCC[NH2+]1)CC2	ZINC000160747072	389397665	/nfs/dbraw/zinc/39/76/65/389397665.db2.gz	MZOGYFORUYYSGX-HZSPNIEDSA-N	1	0	296.411	0.907	50	70		CCIARO
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1	ZINC000217839250	274984630	/nfs/dbraw/zinc/98/46/30/274984630.db2.gz	UGCLREBUTZGZSP-BNOWGMLFSA-N	1	0	260.337	0.903	50	70		CCIARO
O=C(NC[C@]1(O)CCC[NH2+]C1)c1ccc(F)c(O)c1	ZINC000217133258	351945276	/nfs/dbraw/zinc/94/52/76/351945276.db2.gz	YQHUFYVQJSOZIA-ZDUSSCGKSA-N	1	0	268.288	0.376	50	70		CCIARO
CCOCC[N@@H+]1CCN(Cc2c(C)cnn2C)C[C@@H](O)C1	ZINC000217692970	351950082	/nfs/dbraw/zinc/95/00/82/351950082.db2.gz	KMPRJEQNDPIHJB-AWEZNQCLSA-N	1	0	296.415	0.244	50	70		CCIARO
C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CNC(N)=O)cc1	ZINC000161181403	188513188	/nfs/dbraw/zinc/51/31/88/188513188.db2.gz	GTNSOZBMKVBFDZ-ZDUSSCGKSA-N	1	0	290.367	0.679	50	70		CCIARO
C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)c(F)c1	ZINC000217771412	389135136	/nfs/dbraw/zinc/13/51/36/389135136.db2.gz	OOYOBXMUKVWPIW-VMAXQDLPSA-N	1	0	270.279	0.865	50	70		CCIARO
CN(CCc1ncon1)C(=O)[C@H]1CCC[N@H+](C)C1	ZINC000217402145	351947442	/nfs/dbraw/zinc/94/74/42/351947442.db2.gz	LMFWSHSQFLKKGL-JTQLQIEISA-N	1	0	252.318	0.412	50	70		CCIARO
CNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1	ZINC000159751059	389373060	/nfs/dbraw/zinc/37/30/60/389373060.db2.gz	SKPUZGFHQFGAFP-UONOGXRCSA-N	1	0	289.379	0.541	50	70		CCIARO
C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1F	ZINC000217770925	130763768	/nfs/dbraw/zinc/76/37/68/130763768.db2.gz	OJACQRSPFAQMLT-LPBBDHJYSA-N	1	0	270.279	0.865	50	70		CCIARO
OCc1cc2n(n1)CC[N@H+](CCc1ccccn1)C2	ZINC000216976729	351944068	/nfs/dbraw/zinc/94/40/68/351944068.db2.gz	IUVCULARSHYWHC-UHFFFAOYSA-N	1	0	258.325	0.829	50	70		CCIARO
Cc1cc(=O)cc(C(=O)NC[C@H]2CCC[N@H+](CCO)C2)o1	ZINC000218127906	351955518	/nfs/dbraw/zinc/95/55/18/351955518.db2.gz	WBNAZFCWJRUICD-GFCCVEGCSA-N	1	0	294.351	0.382	50	70		CCIARO
C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)nc1	ZINC000161379151	389406413	/nfs/dbraw/zinc/40/64/13/389406413.db2.gz	HRYQJDDGHFKMDU-JTQLQIEISA-N	1	0	262.313	0.005	50	70		CCIARO
[NH3+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1	ZINC000160263011	350697950	/nfs/dbraw/zinc/69/79/50/350697950.db2.gz	PJGQWVHZQHXEHB-GFCCVEGCSA-N	1	0	289.314	0.970	50	70		CCIARO
C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)c(F)c1	ZINC000217771591	351950570	/nfs/dbraw/zinc/95/05/70/351950570.db2.gz	OOYOBXMUKVWPIW-LPBBDHJYSA-N	1	0	270.279	0.865	50	70		CCIARO
[NH3+][C@@H](CO)C(=O)NCc1cc(-c2ccccc2)n[nH]1	ZINC000218417719	351958017	/nfs/dbraw/zinc/95/80/17/351958017.db2.gz	CSGCYXNFGWGVQF-NSHDSACASA-N	1	0	260.297	0.013	50	70		CCIARO
C[C@@H](Cn1cccn1)NC(=O)CC[NH+]1CCN(C)CC1	ZINC000218086278	389135502	/nfs/dbraw/zinc/13/55/02/389135502.db2.gz	PSCQURWHARSSFE-ZDUSSCGKSA-N	1	0	279.388	0.025	50	70		CCIARO
O=C1CC[C@@H]2C[NH2+]CC[C@@H]2N1CCCn1ccnc1	ZINC000160015815	389378363	/nfs/dbraw/zinc/37/83/63/389378363.db2.gz	IEUAVZQWVFSCBF-OLZOCXBDSA-N	1	0	262.357	0.874	50	70		CCIARO
CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CCCC[NH2+]1)CC2	ZINC000160748622	389398793	/nfs/dbraw/zinc/39/87/93/389398793.db2.gz	MZOGYFORUYYSGX-MELADBBJSA-N	1	0	296.411	0.907	50	70		CCIARO
C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)nn1	ZINC000161351508	277285050	/nfs/dbraw/zinc/28/50/50/277285050.db2.gz	OOYVYTREONHEMO-GFCCVEGCSA-N	1	0	289.383	0.901	50	70		CCIARO
C[NH+]1CCC(N2CCN(C(=O)c3c[nH]cn3)CC2)CC1	ZINC000216973626	351943852	/nfs/dbraw/zinc/94/38/52/351943852.db2.gz	NTNCHMDDCPOOGE-UHFFFAOYSA-N	1	0	277.372	0.262	50	70		CCIARO
Cc1cc(CNC(=O)CC[N@@H+](C)[C@H]2CCN(C)C2)no1	ZINC000218075076	389135529	/nfs/dbraw/zinc/13/55/29/389135529.db2.gz	NFAJYMVWTAIJMW-ZDUSSCGKSA-N	1	0	280.372	0.625	50	70		CCIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C1CC=CC1	ZINC000218310799	276797660	/nfs/dbraw/zinc/79/76/60/276797660.db2.gz	LGVJBWVRCSAJTC-YVECIDJPSA-N	1	0	250.342	0.786	50	70		CCIARO
O=C(NC[C@@]1(O)CCC[NH2+]C1)c1ccc(F)c(O)c1	ZINC000217133249	351944541	/nfs/dbraw/zinc/94/45/41/351944541.db2.gz	YQHUFYVQJSOZIA-CYBMUJFWSA-N	1	0	268.288	0.376	50	70		CCIARO
COCCOCC(=O)N1CCN(c2cc[nH+]cc2C)CC1	ZINC000218114054	351954905	/nfs/dbraw/zinc/95/49/05/351954905.db2.gz	URZHJACAIBSGRT-UHFFFAOYSA-N	1	0	293.367	0.702	50	70		CCIARO
Cc1c[nH]c(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)n1	ZINC000218047764	189713268	/nfs/dbraw/zinc/71/32/68/189713268.db2.gz	ITMXJSUILZPOHW-UHFFFAOYSA-N	1	0	287.371	0.931	50	70		CCIARO
Nc1ncccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1	ZINC000216932353	351944093	/nfs/dbraw/zinc/94/40/93/351944093.db2.gz	YTNOYYAUMNWLTK-LBPRGKRZSA-N	1	0	263.341	0.780	50	70		CCIARO
Cc1nc(CN2CCCn3nc(CO)cc3C2)cc(=O)[nH]1	ZINC000217829741	351951416	/nfs/dbraw/zinc/95/14/16/351951416.db2.gz	YRXYWFZBVDVUOG-UHFFFAOYSA-N	1	0	289.339	0.585	50	70		CCIARO
O=C(Cn1ccc(=O)c2ccccc21)N[C@@H]1CC[NH2+]C1	ZINC000218408317	351958225	/nfs/dbraw/zinc/95/82/25/351958225.db2.gz	YEUOANDZCXJQON-LLVKDONJSA-N	1	0	271.320	0.480	50	70		CCIARO
C[N@H+](CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000218527330	351960274	/nfs/dbraw/zinc/96/02/74/351960274.db2.gz	WCOFKFYWSRIHKI-UHFFFAOYSA-N	1	0	276.292	0.681	50	70		CCIARO