smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(C)cc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccco2)CC1	ZINC000217975642	241288746	/nfs/dbraw/zinc/28/87/46/241288746.db2.gz	FRDWMUIQZSLJER-CYBMUJFWSA-N	1	0	330.432	2.411	50	70		EEIARO
Cc1cc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)nc(C)n1	ZINC000218341025	241315870	/nfs/dbraw/zinc/31/58/70/241315870.db2.gz	YNPUOSVWHCDJMM-UHFFFAOYSA-N	1	0	338.455	2.487	50	70		EEIARO
CN(Cc1nc2ccccc2s1)C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1	ZINC000217194447	241241487	/nfs/dbraw/zinc/24/14/87/241241487.db2.gz	UHBUUPDBVGOJEM-CQSZACIVSA-N	1	0	346.500	2.281	50	70		EEIARO
Cc1nc2ccccc2c(N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)n1	ZINC000218053662	241293154	/nfs/dbraw/zinc/29/31/54/241293154.db2.gz	AJKYRVBALIKLFW-IAGOWNOFSA-N	1	0	330.432	2.086	50	70		EEIARO
C[C@@H]1Cc2cc(C(=O)NCCCCC[NH+]3CCOCC3)ccc2O1	ZINC000218549003	241330560	/nfs/dbraw/zinc/33/05/60/241330560.db2.gz	JQPMTFUVPRLWFY-OAHLLOKOSA-N	1	0	332.444	2.242	50	70		EEIARO
Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[NH2+]CCO2)ccc1F	ZINC000217899312	241283008	/nfs/dbraw/zinc/28/30/08/241283008.db2.gz	CEOSQQNGUXWBNR-DFGXFYAUSA-N	1	0	332.419	2.360	50	70		EEIARO
O=C(Cc1cccc(Cl)c1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1	ZINC000218712720	241340971	/nfs/dbraw/zinc/34/09/71/241340971.db2.gz	TTWPDIUZWIJTPW-BZZMCLGOSA-N	1	0	334.847	2.250	50	70		EEIARO
C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2)CC1	ZINC000218765431	241343428	/nfs/dbraw/zinc/34/34/28/241343428.db2.gz	XAIQQDOLPCFHRR-GOSISDBHSA-N	1	0	337.423	2.302	50	70		EEIARO
Nc1nc(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cs1	ZINC000218366364	241318364	/nfs/dbraw/zinc/31/83/64/241318364.db2.gz	YZSFBYOIHGIHDR-INIZCTEOSA-N	1	0	344.484	2.439	50	70		EEIARO
CCCCc1nc(CN2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)c[nH]1	ZINC000217175507	535100670	/nfs/dbraw/zinc/10/06/70/535100670.db2.gz	GDLJTPPCQJAHJI-LJQANCHMSA-N	1	0	342.487	2.431	50	70		EEIARO
CN(C)c1ccccc1C(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1	ZINC000216986756	282299982	/nfs/dbraw/zinc/29/99/82/282299982.db2.gz	XTCBAMFRZPJTAN-KRWDZBQOSA-N	1	0	345.487	2.470	50	70		EEIARO
O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H](O)c1cccc(F)c1	ZINC000218324073	241316220	/nfs/dbraw/zinc/31/62/20/241316220.db2.gz	QSSDWSQOCPFSGW-SFHVURJKSA-N	1	0	328.387	2.034	50	70		EEIARO
Cc1nc(C)n(CCCNC(=O)C2([NH+]3CCCC3)CCCCC2)n1	ZINC000218514464	241328198	/nfs/dbraw/zinc/32/81/98/241328198.db2.gz	KTUBBCNBNYOIDS-UHFFFAOYSA-N	1	0	333.480	2.200	50	70		EEIARO
Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1-n1cccc1	ZINC000217814830	241277850	/nfs/dbraw/zinc/27/78/50/241277850.db2.gz	KNHRZLCAJJLOMM-DOTOQJQBSA-N	1	0	341.459	2.205	50	70	biogenic	EEIARO
CC[N@H+](C)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1	ZINC000218450856	241324745	/nfs/dbraw/zinc/32/47/45/241324745.db2.gz	XMPJQUYOGAXJEM-GSQSYGFSSA-N	1	0	327.428	2.115	50	70		EEIARO
CCc1csc(CNc2cc(C3CC([NH3+])C3)nc(COC)n2)n1	ZINC000218242039	241307769	/nfs/dbraw/zinc/30/77/69/241307769.db2.gz	NZEXFNLZEHAWRC-UHFFFAOYSA-N	1	0	333.461	2.459	50	70		EEIARO
O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc2nonc2c1	ZINC000218260319	241310967	/nfs/dbraw/zinc/31/09/67/241310967.db2.gz	LEHIDRZEAGDYSV-MRXNPFEDSA-N	1	0	336.395	2.329	50	70		EEIARO
CSc1ccc(CC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc1	ZINC000218214546	241306077	/nfs/dbraw/zinc/30/60/77/241306077.db2.gz	QRHBMXWTTJICEM-QGZVFWFLSA-N	1	0	348.512	2.256	50	70		EEIARO
O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccn(C(F)F)n1	ZINC000218224501	241308807	/nfs/dbraw/zinc/30/88/07/241308807.db2.gz	LJKUDXKVHFCLPY-UHFFFAOYSA-N	1	0	335.358	2.068	50	70		EEIARO
CC[C@H](O)c1cc2n(n1)CCN(Cc1cc(C[NH+](C)C)cs1)C2	ZINC000217373266	241246183	/nfs/dbraw/zinc/24/61/83/241246183.db2.gz	WIHBRABDEOYIOS-KRWDZBQOSA-N	1	0	334.489	2.465	50	70		EEIARO
C[N@H+](CCNc1cc(C2CC(O)C2)ncn1)CCc1ccccc1	ZINC000218605503	241335653	/nfs/dbraw/zinc/33/56/53/241335653.db2.gz	JFMTZWXIVFXFTA-UHFFFAOYSA-N	1	0	326.444	2.301	50	70		EEIARO
Cc1cc(-n2cccn2)ccc1C[N@@H+](C)C[C@@H](C)N1CCOCC1	ZINC000218659363	241337287	/nfs/dbraw/zinc/33/72/87/241337287.db2.gz	HNJGWKAVOXMKOY-QGZVFWFLSA-N	1	0	328.460	2.333	50	70		EEIARO
C[NH+]1CCC(C(=O)N(CCCn2ccnc2)Cc2ccncc2)CC1	ZINC000217149518	241238330	/nfs/dbraw/zinc/23/83/30/241238330.db2.gz	HGRIPDOAQYJMNQ-UHFFFAOYSA-N	1	0	341.459	2.039	50	70		EEIARO
COc1ccc(CCCNc2cc(C3CC([NH3+])C3)nc(N)n2)cc1	ZINC000218270460	241311203	/nfs/dbraw/zinc/31/12/03/241311203.db2.gz	XWNJHQCCAFICJP-UHFFFAOYSA-N	1	0	327.432	2.317	50	70		EEIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc2c1cccc2NC(C)=O	ZINC000218365957	241317598	/nfs/dbraw/zinc/31/75/98/241317598.db2.gz	LEQDVOWENKUMNQ-HNNXBMFYSA-N	1	0	342.443	2.200	50	70		EEIARO
COCC[NH+]1CCC(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1	ZINC000218649035	536858124	/nfs/dbraw/zinc/85/81/24/536858124.db2.gz	MRBUUSCBTGFMOP-LJQANCHMSA-N	1	0	347.503	2.072	50	70		EEIARO
CSCc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)o1	ZINC000218030731	241291669	/nfs/dbraw/zinc/29/16/69/241291669.db2.gz	PHLQJKPNZHWZPW-SLBVQIDZSA-N	1	0	336.457	2.124	50	70		EEIARO
Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[NH2+]CCO2)ccc1F	ZINC000217899411	485531058	/nfs/dbraw/zinc/53/10/58/485531058.db2.gz	CEOSQQNGUXWBNR-KYHPRHEASA-N	1	0	332.419	2.360	50	70		EEIARO
CCN1Cc2ccccc2C[C@@H]1C(=O)NCCNc1cc[nH+]cc1C	ZINC000218618230	535784509	/nfs/dbraw/zinc/78/45/09/535784509.db2.gz	XVPNGFLHIOPXNJ-LJQANCHMSA-N	1	0	338.455	2.365	50	70		EEIARO
Cc1nn(C)cc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccco2)CC1	ZINC000217975722	241287122	/nfs/dbraw/zinc/28/71/22/241287122.db2.gz	FRDWMUIQZSLJER-ZDUSSCGKSA-N	1	0	330.432	2.411	50	70		EEIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O	ZINC000218445399	535567578	/nfs/dbraw/zinc/56/75/78/535567578.db2.gz	MVHZDAXDSSXBQH-MRXNPFEDSA-N	1	0	331.460	2.089	50	70		EEIARO
COCC[NH+]1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)CC1	ZINC000218649126	536858001	/nfs/dbraw/zinc/85/80/01/536858001.db2.gz	MRBUUSCBTGFMOP-IBGZPJMESA-N	1	0	347.503	2.072	50	70		EEIARO
Cc1c[nH+]ccc1N1CCCN(C(=O)C(=O)Nc2ccccc2)CC1	ZINC000218135325	241300205	/nfs/dbraw/zinc/30/02/05/241300205.db2.gz	WYPVYRZYMLQHKO-UHFFFAOYSA-N	1	0	338.411	2.067	50	70		EEIARO
CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2c1cccc2NC(C)=O	ZINC000218365874	241317480	/nfs/dbraw/zinc/31/74/80/241317480.db2.gz	LEQDVOWENKUMNQ-OAHLLOKOSA-N	1	0	342.443	2.200	50	70		EEIARO
CN(C)c1ccccc1C(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1	ZINC000216986773	289418261	/nfs/dbraw/zinc/41/82/61/289418261.db2.gz	XTCBAMFRZPJTAN-QGZVFWFLSA-N	1	0	345.487	2.470	50	70		EEIARO
CC(C)(C)NC(=O)COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1	ZINC000217613060	241263917	/nfs/dbraw/zinc/26/39/17/241263917.db2.gz	YKEZFISMFFOFPD-MNZLEMJZSA-N	1	0	346.471	2.183	50	70		EEIARO
CN(Cc1nc2c(s1)CCCC2)c1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218310294	241313482	/nfs/dbraw/zinc/31/34/82/241313482.db2.gz	UDFASFZFDAWBJN-UHFFFAOYSA-N	1	0	344.488	2.235	50	70		EEIARO
Cc1ccc(F)cc1CC(=O)N1CC[N@@H+](CC(C)C)[C@H](CCO)C1	ZINC000218558091	241330707	/nfs/dbraw/zinc/33/07/07/241330707.db2.gz	VRXGVGZAOHKLOK-GOSISDBHSA-N	1	0	336.451	2.228	50	70		EEIARO
COc1ccc(C(=O)CCC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cc1	ZINC000217172269	536668124	/nfs/dbraw/zinc/66/81/24/536668124.db2.gz	BQBAYUFEBFSALE-IGOJGBNBSA-N	1	0	344.455	2.457	50	70		EEIARO
Nc1nc(NCc2cnn(-c3ccccc3)c2)cc(C2CC([NH3+])C2)n1	ZINC000218113934	241297297	/nfs/dbraw/zinc/29/72/97/241297297.db2.gz	RNISKLAZCLIJGO-UHFFFAOYSA-N	1	0	335.415	2.061	50	70		EEIARO
Cc1ccc2c(N3CCn4nc([C@H](O)CO)cc4C3)cc[nH+]c2c1C	ZINC000217716556	241270379	/nfs/dbraw/zinc/27/03/79/241270379.db2.gz	OZQAIPVIHYVEND-GOSISDBHSA-N	1	0	338.411	2.094	50	70		EEIARO
CN1CC[N@H+](C)C[C@@H]1Cc1ncnn1-c1cccc(C(F)(F)F)c1	ZINC000217862879	241279943	/nfs/dbraw/zinc/27/99/43/241279943.db2.gz	FFCXLYANUYPQNO-AWEZNQCLSA-N	1	0	339.365	2.074	50	70		EEIARO
Cn1c2ccccc2c2cc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)ccc21	ZINC000218645476	241336543	/nfs/dbraw/zinc/33/65/43/241336543.db2.gz	YXLKVXJJRZXKKO-OALUTQOASA-N	1	0	337.423	2.078	50	70		EEIARO
C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCCn3ccnc3)cc1)C2	ZINC000217461814	241250664	/nfs/dbraw/zinc/25/06/64/241250664.db2.gz	YPHFSBMCVOHOBM-RBUKOAKNSA-N	1	0	340.471	2.488	50	70		EEIARO
CSc1ccc(CC(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cc1	ZINC000218214484	241305064	/nfs/dbraw/zinc/30/50/64/241305064.db2.gz	QRHBMXWTTJICEM-KRWDZBQOSA-N	1	0	348.512	2.256	50	70		EEIARO
Cc1cc(C)n(C2CN(C(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)C2)n1	ZINC000218348882	241314911	/nfs/dbraw/zinc/31/49/11/241314911.db2.gz	JYPPASFILCMGSL-SFHVURJKSA-N	1	0	338.455	2.373	50	70		EEIARO
O=C(CC[NH+]1CCCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1	ZINC000218763245	241344563	/nfs/dbraw/zinc/34/45/63/241344563.db2.gz	XPNIUTXCVZJRLE-UHYCVJNDSA-N	1	0	344.455	2.036	50	70		EEIARO
O[C@@H]1CN(CCC(F)(F)F)CC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000216962262	241229831	/nfs/dbraw/zinc/22/98/31/241229831.db2.gz	NCLYJVAUWYCIEP-MRXNPFEDSA-N	1	0	328.378	2.085	50	70		EEIARO
C[C@H]1Cc2cc(C(=O)NCCCCC[NH+]3CCOCC3)ccc2O1	ZINC000218549097	241331641	/nfs/dbraw/zinc/33/16/41/241331641.db2.gz	JQPMTFUVPRLWFY-HNNXBMFYSA-N	1	0	332.444	2.242	50	70		EEIARO
O=C(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1cccnc1	ZINC000216983313	241230864	/nfs/dbraw/zinc/23/08/64/241230864.db2.gz	WPMVYBXTDVYCQL-UHFFFAOYSA-N	1	0	349.434	2.314	50	70		EEIARO
OCc1cc2n(n1)CCN(Cc1cc(C[NH+]3CCCC3)cs1)C2	ZINC000217464154	241251365	/nfs/dbraw/zinc/25/13/65/241251365.db2.gz	POUZSQOJLHRQMD-UHFFFAOYSA-N	1	0	332.473	2.049	50	70		EEIARO
CCOc1ccc(CCNc2cc(C3CC([NH3+])C3)nc(N)n2)cc1	ZINC000218564704	241330623	/nfs/dbraw/zinc/33/06/23/241330623.db2.gz	VZCYGKAFQINAIK-UHFFFAOYSA-N	1	0	327.432	2.317	50	70		EEIARO
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccc(Cl)s1	ZINC000218644904	241336530	/nfs/dbraw/zinc/33/65/30/241336530.db2.gz	SGOADPYXWLAMCT-GJQVQUKXSA-N	1	0	326.849	2.383	50	70		EEIARO
Cc1ccc(F)cc1CC(=O)N1CC[N@@H+](CC(C)C)[C@@H](CCO)C1	ZINC000218558017	241331669	/nfs/dbraw/zinc/33/16/69/241331669.db2.gz	VRXGVGZAOHKLOK-SFHVURJKSA-N	1	0	336.451	2.228	50	70		EEIARO
O=C(CSCC[NH+]1CCCC1)N1CC(c2nc3ccccc3[nH]2)C1	ZINC000218770405	241344641	/nfs/dbraw/zinc/34/46/41/241344641.db2.gz	QVMYXGMSEMNXHW-UHFFFAOYSA-N	1	0	344.484	2.318	50	70		EEIARO
C[NH+]1CCC(CNC(=O)[C@H](O)c2ccccc2)(c2ccccc2)CC1	ZINC000217211122	241242903	/nfs/dbraw/zinc/24/29/03/241242903.db2.gz	OMBIXNXWGWWKDJ-LJQANCHMSA-N	1	0	338.451	2.500	50	70		EEIARO
COC1CC[NH+](C2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1	ZINC000217753461	485531332	/nfs/dbraw/zinc/53/13/32/485531332.db2.gz	LIYBFPCDJPTUST-UHFFFAOYSA-N	1	0	334.435	2.470	50	70		EEIARO
CN(Cc1cc(-c2ccncc2)no1)c1cc(C2CC([NH3+])C2)ncn1	ZINC000218439216	241320892	/nfs/dbraw/zinc/32/08/92/241320892.db2.gz	CMVHOSVSAORTHZ-UHFFFAOYSA-N	1	0	336.399	2.368	50	70		EEIARO
Cc1ccc2c(N3CCn4nc([C@@H](O)CO)cc4C3)cc[nH+]c2c1C	ZINC000217716461	241270199	/nfs/dbraw/zinc/27/01/99/241270199.db2.gz	OZQAIPVIHYVEND-SFHVURJKSA-N	1	0	338.411	2.094	50	70		EEIARO
O[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CC[N@@H+](C2CCCC2)C1	ZINC000217115060	241234891	/nfs/dbraw/zinc/23/48/91/241234891.db2.gz	ZVEIZQNWORUTSP-KRWDZBQOSA-N	1	0	342.443	2.158	50	70		EEIARO
CN1CC[N@H+](CC(C)(C)CN2CCOCC2)C[C@@H]1c1ccccc1	ZINC000217201988	241240446	/nfs/dbraw/zinc/24/04/46/241240446.db2.gz	BWJDYMSFGZOGQC-LJQANCHMSA-N	1	0	331.504	2.334	50	70		EEIARO
COc1ccc(-n2cccn2)c(C[N@H+](C)C[C@H](C)N2CCOCC2)c1	ZINC000218541737	295051978	/nfs/dbraw/zinc/05/19/78/295051978.db2.gz	NSPIAQSSPUQGKO-INIZCTEOSA-N	1	0	344.459	2.033	50	70		EEIARO
[NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccnc2)CC1	ZINC000218357779	241317031	/nfs/dbraw/zinc/31/70/31/241317031.db2.gz	DAZOTWHNSUYRNU-SFHVURJKSA-N	1	0	325.412	2.021	50	70		EEIARO
COc1cccc(C(=O)N2CCC(CO)(C[NH+]3CCCC3)CC2)c1C	ZINC000218667822	241337304	/nfs/dbraw/zinc/33/73/04/241337304.db2.gz	LSSCNGJXBIYXRZ-UHFFFAOYSA-N	1	0	346.471	2.314	50	70		EEIARO
O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@@H](c2nnc[nH]2)C1	ZINC000217439855	241250851	/nfs/dbraw/zinc/25/08/51/241250851.db2.gz	GZYQTHMHNVTYJQ-OAHLLOKOSA-N	1	0	343.431	2.016	50	70		EEIARO
O=C(CCc1ccc(O)cc1)NC1CC[NH+](C2CCOCC2)CC1	ZINC000218713786	241340893	/nfs/dbraw/zinc/34/08/93/241340893.db2.gz	GBAZRIKLLCGTKU-UHFFFAOYSA-N	1	0	332.444	2.084	50	70		EEIARO
CN(Cc1nc2ccccc2s1)C(=O)CC[N@H+](C)[C@H]1CCN(C)C1	ZINC000217194454	241242488	/nfs/dbraw/zinc/24/24/88/241242488.db2.gz	UHBUUPDBVGOJEM-AWEZNQCLSA-N	1	0	346.500	2.281	50	70		EEIARO
OC1CC(c2cc(N3CC[NH+](CCc4ccccc4)CC3)ncn2)C1	ZINC000218639538	241336462	/nfs/dbraw/zinc/33/64/62/241336462.db2.gz	PWSHQKBFXANIQV-UHFFFAOYSA-N	1	0	338.455	2.080	50	70		EEIARO
Cc1nc2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)cc2o1	ZINC000217986994	282060054	/nfs/dbraw/zinc/06/00/54/282060054.db2.gz	OWKQPWAZVKGUOW-BVPBIZIASA-N	1	0	341.411	2.118	50	70		EEIARO
CCc1ccc(CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)o1	ZINC000218192998	241303324	/nfs/dbraw/zinc/30/33/24/241303324.db2.gz	ADZWEPIDZFJKGP-GOSISDBHSA-N	1	0	332.448	2.039	50	70		EEIARO
CSc1ncc(CNC(=O)C2CC[NH+](Cc3ccco3)CC2)n1C	ZINC000218357396	241318047	/nfs/dbraw/zinc/31/80/47/241318047.db2.gz	WRWJIKGYQQBCMU-UHFFFAOYSA-N	1	0	348.472	2.263	50	70		EEIARO
O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc2nonc2c1	ZINC000218260377	241311702	/nfs/dbraw/zinc/31/17/02/241311702.db2.gz	LEHIDRZEAGDYSV-INIZCTEOSA-N	1	0	336.395	2.329	50	70		EEIARO
CCN1Cc2ccccc2C[C@H]1C(=O)NCCNc1cc[nH+]cc1C	ZINC000218618307	535784267	/nfs/dbraw/zinc/78/42/67/535784267.db2.gz	XVPNGFLHIOPXNJ-IBGZPJMESA-N	1	0	338.455	2.365	50	70		EEIARO
OCc1cc2n(n1)CCN(Cc1cc(C[NH+]3CCCCC3)cs1)C2	ZINC000217674749	241268330	/nfs/dbraw/zinc/26/83/30/241268330.db2.gz	MTYAHPGUEFRLRC-UHFFFAOYSA-N	1	0	346.500	2.439	50	70		EEIARO
O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@H](c2nnc[nH]2)C1	ZINC000217439944	241250401	/nfs/dbraw/zinc/25/04/01/241250401.db2.gz	GZYQTHMHNVTYJQ-HNNXBMFYSA-N	1	0	343.431	2.016	50	70		EEIARO
Nc1nc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cs1	ZINC000218366420	241318563	/nfs/dbraw/zinc/31/85/63/241318563.db2.gz	YZSFBYOIHGIHDR-MRXNPFEDSA-N	1	0	344.484	2.439	50	70		EEIARO
CC[C@@H](O)c1cc2n(n1)CCN(Cc1cc(C[NH+](C)C)cs1)C2	ZINC000217373185	241246831	/nfs/dbraw/zinc/24/68/31/241246831.db2.gz	WIHBRABDEOYIOS-QGZVFWFLSA-N	1	0	334.489	2.465	50	70		EEIARO
C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1nc2ccccc2s1	ZINC000218324270	241315263	/nfs/dbraw/zinc/31/52/63/241315263.db2.gz	WQCJOIOFCMGLDG-JZDMUPLMSA-N	1	0	345.468	2.063	50	70		EEIARO
C[NH+](C)C[C@@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1	ZINC000217014721	241231282	/nfs/dbraw/zinc/23/12/82/241231282.db2.gz	GEVCFHZVSGXDAD-FQEVSTJZSA-N	1	0	345.487	2.063	50	70		EEIARO
CCO[C@H]1C[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1O	ZINC000218392699	535634929	/nfs/dbraw/zinc/63/49/29/535634929.db2.gz	CAGPCLBMRAJKSE-PMACEKPBSA-N	1	0	330.472	2.226	50	70		EEIARO
COc1ccc(-n2cccn2)c(C[N@H+](C)C[C@@H](C)N2CCOCC2)c1	ZINC000218541666	464108368	/nfs/dbraw/zinc/10/83/68/464108368.db2.gz	NSPIAQSSPUQGKO-MRXNPFEDSA-N	1	0	344.459	2.033	50	70		EEIARO
CCn1ccc2c1cccc2C[N@@H+]1CCC[C@H]1C(=O)N1CCOCC1	ZINC000217173718	241239214	/nfs/dbraw/zinc/23/92/14/241239214.db2.gz	KMUMVDICVSYFJV-IBGZPJMESA-N	1	0	341.455	2.484	50	70		EEIARO
CC[N@H+](C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1	ZINC000218450950	241324106	/nfs/dbraw/zinc/32/41/06/241324106.db2.gz	XMPJQUYOGAXJEM-KJXMEXGPSA-N	1	0	327.428	2.115	50	70		EEIARO
O=C(CC[NH+]1CCCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1	ZINC000218763284	241343080	/nfs/dbraw/zinc/34/30/80/241343080.db2.gz	XPNIUTXCVZJRLE-LBXVMSDZSA-N	1	0	344.455	2.036	50	70		EEIARO
COC1CC[NH+](C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)CC1	ZINC000217754662	485531109	/nfs/dbraw/zinc/53/11/09/485531109.db2.gz	IRDBDQOOJYCVSQ-UHFFFAOYSA-N	1	0	345.487	2.468	50	70		EEIARO
Cc1ccc(OCCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)cc1	ZINC000218541552	241331531	/nfs/dbraw/zinc/33/15/31/241331531.db2.gz	LYKOMUDWEGXGQK-UHFFFAOYSA-N	1	0	327.432	2.087	50	70		EEIARO
Cc1nnc(CCNC(=O)C[NH+]2CCC(c3ccccc3)CC2)s1	ZINC000216993345	241230063	/nfs/dbraw/zinc/23/00/63/241230063.db2.gz	IJQXJXDREANPHV-UHFFFAOYSA-N	1	0	344.484	2.385	50	70		EEIARO
Cn1c2ccccc2nc1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000217627070	241263802	/nfs/dbraw/zinc/26/38/02/241263802.db2.gz	VZFICAKCXLXZPU-OAHLLOKOSA-N	1	0	326.444	2.375	50	70		EEIARO
C[NH+]1CCN(c2ccc(C(=O)NCCCc3ccncc3)cc2)CC1	ZINC000218437577	241320868	/nfs/dbraw/zinc/32/08/68/241320868.db2.gz	ISELIDXMGXDTJW-UHFFFAOYSA-N	1	0	338.455	2.196	50	70		EEIARO
C[NH+]1CCN(c2ccc(C(=O)N[C@H]3COc4ccccc43)cc2)CC1	ZINC000218765462	241343662	/nfs/dbraw/zinc/34/36/62/241343662.db2.gz	XAIQQDOLPCFHRR-SFHVURJKSA-N	1	0	337.423	2.302	50	70		EEIARO
C[NH+]1CCC(C(=O)NCc2cnn3cccnc23)(c2ccccc2)CC1	ZINC000217574043	241261007	/nfs/dbraw/zinc/26/10/07/241261007.db2.gz	BANHDWSLVPXJRN-UHFFFAOYSA-N	1	0	349.438	2.009	50	70		EEIARO
O=C(NC[C@H]1COCCO1)c1cccc(C[NH+]2CCCCCC2)c1	ZINC000217842083	241280009	/nfs/dbraw/zinc/28/00/09/241280009.db2.gz	TWQYLSAAYHANLV-SFHVURJKSA-N	1	0	332.444	2.208	50	70		EEIARO
Cc1ccc(C(F)(F)F)cc1C(=O)NCC[NH+]1CCC(O)CC1	ZINC000218263396	241309967	/nfs/dbraw/zinc/30/99/67/241309967.db2.gz	DAWAFEIAOOXIAG-UHFFFAOYSA-N	1	0	330.350	2.200	50	70		EEIARO
Cc1cc(=O)cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)o1	ZINC000218743822	241343178	/nfs/dbraw/zinc/34/31/78/241343178.db2.gz	MJVNIEQHQTYXES-UHFFFAOYSA-N	1	0	340.423	2.385	50	70		EEIARO
Cn1c2ccccc2nc1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1	ZINC000217627150	241263834	/nfs/dbraw/zinc/26/38/34/241263834.db2.gz	VZFICAKCXLXZPU-HNNXBMFYSA-N	1	0	326.444	2.375	50	70		EEIARO
O[C@H]1CN(CCc2nc3cc(F)ccc3[nH]2)CC[N@@H+](C2CCCC2)C1	ZINC000217195945	241242294	/nfs/dbraw/zinc/24/22/94/241242294.db2.gz	MELPGZPGCKVPMI-INIZCTEOSA-N	1	0	346.450	2.166	50	70		EEIARO
CSc1ncccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1	ZINC000218225381	241308956	/nfs/dbraw/zinc/30/89/56/241308956.db2.gz	LSUFQWBHQCDKRJ-SLBVQIDZSA-N	1	0	347.484	2.175	50	70		EEIARO
O=C(c1cccn1C1CC1)N1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218365764	241317110	/nfs/dbraw/zinc/31/71/10/241317110.db2.gz	OURSVLQYGDLKTP-UHFFFAOYSA-N	1	0	331.460	2.134	50	70		EEIARO
O=C(CCC[NH+]1Cc2ccccc2C1)NCc1cnn2cccnc12	ZINC000217531703	241256837	/nfs/dbraw/zinc/25/68/37/241256837.db2.gz	KQBFVUSZZQEOOS-UHFFFAOYSA-N	1	0	335.411	2.142	50	70		EEIARO
O=C(CN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000217869987	241280534	/nfs/dbraw/zinc/28/05/34/241280534.db2.gz	XVHLCYVSHPNGEO-MAUKXSAKSA-N	1	0	341.455	2.023	50	70	biogenic	EEIARO
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2	ZINC000216917006	241223462	/nfs/dbraw/zinc/22/34/62/241223462.db2.gz	LAVAGGJBWBGYFY-PIIMJCKOSA-N	1	0	329.492	2.239	50	70		EEIARO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O	ZINC000218445469	241321521	/nfs/dbraw/zinc/32/15/21/241321521.db2.gz	MVHZDAXDSSXBQH-INIZCTEOSA-N	1	0	331.460	2.089	50	70		EEIARO
Cc1cc(C)n(C2CN(C(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2)n1	ZINC000218348799	241315846	/nfs/dbraw/zinc/31/58/46/241315846.db2.gz	JYPPASFILCMGSL-GOSISDBHSA-N	1	0	338.455	2.373	50	70		EEIARO
Cc1cc(F)ccc1C(=O)N1CCC(CO)(C[NH+]2CCCC2)CC1	ZINC000218135015	241300568	/nfs/dbraw/zinc/30/05/68/241300568.db2.gz	KCJWQNRRXRQYKN-UHFFFAOYSA-N	1	0	334.435	2.445	50	70		EEIARO
Cc1cc(-n2cccn2)ccc1C[N@@H+](C)C[C@H](C)N1CCOCC1	ZINC000218659438	241336249	/nfs/dbraw/zinc/33/62/49/241336249.db2.gz	HNJGWKAVOXMKOY-KRWDZBQOSA-N	1	0	328.460	2.333	50	70		EEIARO
O=C(NCC[NH+]1CCC(O)CC1)C1(c2ccccc2)CCCCC1	ZINC000218748811	241343486	/nfs/dbraw/zinc/34/34/86/241343486.db2.gz	KWTQBOZQJWTRSZ-UHFFFAOYSA-N	1	0	330.472	2.461	50	70		EEIARO
[NH3+][C@H]1C[C@H](c2nnc(CN3CCCC4(CCOCC4)C3)n2C2CC2)C1	ZINC000218721870	295343075	/nfs/dbraw/zinc/34/30/75/295343075.db2.gz	DXJJCXNCBQWOIY-GASCZTMLSA-N	1	0	345.491	2.210	50	70		EEIARO
O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H](O)c1cccc(F)c1	ZINC000218324168	241314864	/nfs/dbraw/zinc/31/48/64/241314864.db2.gz	QSSDWSQOCPFSGW-GOSISDBHSA-N	1	0	328.387	2.034	50	70		EEIARO
O=C(NC[C@@H]1COCCO1)c1cccc(C[NH+]2CCCCCC2)c1	ZINC000217841998	241278602	/nfs/dbraw/zinc/27/86/02/241278602.db2.gz	TWQYLSAAYHANLV-GOSISDBHSA-N	1	0	332.444	2.208	50	70		EEIARO
O=C(COc1cccnc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000218377138	241317443	/nfs/dbraw/zinc/31/74/43/241317443.db2.gz	XCMTUUOZNRTOPR-UHFFFAOYSA-N	1	0	325.412	2.373	50	70		EEIARO
c1ccc(O[C@@H]2CCOC[C@H]2[NH2+]C2CSCCSC2)nc1	ZINC000218559691	464108388	/nfs/dbraw/zinc/10/83/88/464108388.db2.gz	JRWWTPVUDSKLPJ-ZIAGYGMSSA-N	1	0	326.487	2.056	50	70		EEIARO
CCc1ccc(CN2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)o1	ZINC000218192922	241304422	/nfs/dbraw/zinc/30/44/22/241304422.db2.gz	ADZWEPIDZFJKGP-SFHVURJKSA-N	1	0	332.448	2.039	50	70		EEIARO
C[NH+](C)C[C@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1	ZINC000217014759	535973525	/nfs/dbraw/zinc/97/35/25/535973525.db2.gz	GEVCFHZVSGXDAD-HXUWFJFHSA-N	1	0	345.487	2.063	50	70		EEIARO