smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1	ZINC000019791496	202021542	/nfs/dbraw/zinc/02/15/42/202021542.db2.gz	BOTPDNCAIAJUID-UHFFFAOYSA-N	1	0	340.467	3.281	50	10		EGCARO
C[NH+](C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000028461321	202171216	/nfs/dbraw/zinc/17/12/16/202171216.db2.gz	FYGFCQLVSPTQEJ-UHFFFAOYSA-N	1	0	332.403	3.165	50	10	biogenic	EGCARO
Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)[NH+]1CCCC1)OCO2	ZINC000000044742	201426995	/nfs/dbraw/zinc/42/69/95/201426995.db2.gz	NVESCVKOTAWAFE-IBGZPJMESA-N	1	0	341.363	3.035	50	10	biogenic	EGCARO
[NH3+]C[C@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c(O)c(O)ccc21	ZINC000003871343	303430881	/nfs/dbraw/zinc/43/08/81/303430881.db2.gz	QLJOSZATCBCBDR-TXQQRIEOSA-N	1	0	329.440	3.255	50	10	in-vitro	EGCARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+](C)C)cc1	ZINC000005097665	452836008	/nfs/dbraw/zinc/83/60/08/452836008.db2.gz	UIXTYABQKFINLH-GOSISDBHSA-N	1	0	345.874	3.439	50	10		EGCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3)[NH+]3CCCC3)ccc21	ZINC000008963381	453237040	/nfs/dbraw/zinc/23/70/40/453237040.db2.gz	PUOQYLCKVNYDPY-OAQYLSRUSA-N	1	0	349.478	3.246	50	10		EGCARO
CCc1ccc([N+]2=C3SCCCN3[C@](O)(c3cccs3)C2)cc1	ZINC000015953398	453589667	/nfs/dbraw/zinc/58/96/67/453589667.db2.gz	NIGARXRJMKQBDE-GOSISDBHSA-N	1	0	345.513	3.481	50	10		EGCARO
Oc1ccc(Br)cc1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12	ZINC000248095288	455680443	/nfs/dbraw/zinc/68/04/43/455680443.db2.gz	XJNHERYXWJGEHS-VHDGCEQUSA-N	1	0	326.234	3.110	50	10		EGCARO
CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccn3)ccc2O)C1	ZINC000299765854	456779652	/nfs/dbraw/zinc/77/96/52/456779652.db2.gz	YRNHTWWVBPYKHS-INIZCTEOSA-N	1	0	340.423	3.229	50	10		EGCARO
OCc1cccc(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)c1	ZINC000828827636	1292504447	/nfs/dbraw/zinc/50/44/47/1292504447.db2.gz	VEDUGMJOHWHIDW-UHFFFAOYSA-N	1	0	336.479	3.426	50	10		EGCARO
COc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c1O	ZINC000020992332	202059996	/nfs/dbraw/zinc/05/99/96/202059996.db2.gz	JNPWRXKHMZVBTD-QGZVFWFLSA-N	1	0	344.430	3.294	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)c1C	ZINC000000425725	201470276	/nfs/dbraw/zinc/47/02/76/201470276.db2.gz	BEWKYCOQFMWOKQ-FQEVSTJZSA-N	1	0	339.484	3.474	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1	ZINC000053201303	132186601	/nfs/dbraw/zinc/18/66/01/132186601.db2.gz	DKVXRKYPHXFNPB-UHFFFAOYSA-N	1	0	326.440	3.340	50	10		EGCARO
CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)ccc1O)[NH2+]CC2	ZINC000000034501	452494422	/nfs/dbraw/zinc/49/44/22/452494422.db2.gz	DNDFOJCKNVHLPI-FQEVSTJZSA-N	1	0	343.423	3.433	50	10	biogenic	EGCARO
Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(C)c1	ZINC000000425724	452586581	/nfs/dbraw/zinc/58/65/81/452586581.db2.gz	IYINGRVFDAFAAB-HXUWFJFHSA-N	1	0	339.484	3.474	50	10		EGCARO
COc1cccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c1O	ZINC000005275073	452854986	/nfs/dbraw/zinc/85/49/86/452854986.db2.gz	NLLNFZUAVSJIDB-GOSISDBHSA-N	1	0	343.379	3.020	50	10		EGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(F)cc2)C1	ZINC000017136086	453630035	/nfs/dbraw/zinc/63/00/35/453630035.db2.gz	CCDSKCFWVDDEQJ-LJQANCHMSA-N	1	0	343.447	3.305	50	10		EGCARO
Cn1c2ccccc2n(C)c1=[N+]=Nc1ccc(N2CCOCC2)cc1	ZINC000018121012	453644275	/nfs/dbraw/zinc/64/42/75/453644275.db2.gz	PFNPZUAEZZISNX-UHFFFAOYSA-N	1	0	336.419	3.255	50	10		EGCARO
O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000022241665	1291210800	/nfs/dbraw/zinc/21/08/00/1291210800.db2.gz	JSVQEVYOPRIPQG-UHFFFAOYSA-N	1	0	330.472	3.443	50	10		EGCARO
CCOCc1cc(C[NH2+][C@H]2COc3ccccc3C2)ccc1OC	ZINC000019730755	202017468	/nfs/dbraw/zinc/01/74/68/202017468.db2.gz	MZDAFRGLCXOUIV-GOSISDBHSA-N	1	0	327.424	3.325	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccc(F)cc3)C2)c1	ZINC000002966103	201552830	/nfs/dbraw/zinc/55/28/30/201552830.db2.gz	POKZFMGEFGVZBX-LJQANCHMSA-N	1	0	343.447	3.305	50	10		EGCARO
COc1ccc(N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)cc1	ZINC000000239068	452544337	/nfs/dbraw/zinc/54/43/37/452544337.db2.gz	HOSHJPVOMINOIZ-UHFFFAOYSA-N	1	0	326.440	3.334	50	10		EGCARO
COc1ccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1C	ZINC000005540914	452882515	/nfs/dbraw/zinc/88/25/15/452882515.db2.gz	VZGCRQKKMFHFBQ-UHFFFAOYSA-N	1	0	331.412	3.319	50	10		EGCARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1	ZINC000005097787	452836500	/nfs/dbraw/zinc/83/65/00/452836500.db2.gz	RTEDNAIJCVBVPR-GOSISDBHSA-N	1	0	345.874	3.439	50	10		EGCARO
CN1CCc2cc([C@H](CNC(=O)C3CCCC3)[NH+]3CCCC3)ccc21	ZINC000008963272	453237768	/nfs/dbraw/zinc/23/77/68/453237768.db2.gz	FYYAWGLTSCPWFX-FQEVSTJZSA-N	1	0	341.499	3.122	50	10		EGCARO
COc1cccc(-c2c[nH+]c(NCc3cccc(OC)c3O)n2C)c1	ZINC000009805700	453261650	/nfs/dbraw/zinc/26/16/50/453261650.db2.gz	FASFRMZDHZTSAS-UHFFFAOYSA-N	1	0	339.395	3.422	50	10		EGCARO
C[C@@H](c1ccccn1)[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000952962770	1334625336	/nfs/dbraw/zinc/62/53/36/1334625336.db2.gz	HHHMCTJBQWWKEC-HNNXBMFYSA-N	1	0	339.439	3.472	50	10		EGCARO
CC(C)C[N@@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@@H]1CCO	ZINC000019840141	202022841	/nfs/dbraw/zinc/02/28/41/202022841.db2.gz	OIUYYQRQQOUOLG-SFHVURJKSA-N	1	0	342.483	3.070	50	10		EGCARO
COc1cc2c(cc1OC)C[N@H+](Cc1ccc(N(C)C)cc1)CC2	ZINC000000292370	452554063	/nfs/dbraw/zinc/55/40/63/452554063.db2.gz	BIYNDLKTGNKIFB-UHFFFAOYSA-N	1	0	326.440	3.328	50	10		EGCARO
CCN(CC)c1ccc(/N=N/c2c([N+](=O)[O-])c(C)[n+](C)n2C)cc1	ZINC000004728686	452815208	/nfs/dbraw/zinc/81/52/08/452815208.db2.gz	DNNSSZPRLBWADX-UHFFFAOYSA-N	1	0	331.400	3.328	50	10		EGCARO
Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1	ZINC000017041171	453626536	/nfs/dbraw/zinc/62/65/36/453626536.db2.gz	JCKIXBCDEZGXDZ-LJQANCHMSA-N	1	0	325.457	3.166	50	10		EGCARO
[NH3+]C[C@@H]1O[C@@H](C23CC4CC(CC(C4)C2)C3)Cc2c(O)c(O)ccc21	ZINC000003871344	560190889	/nfs/dbraw/zinc/19/08/89/560190889.db2.gz	QLJOSZATCBCBDR-STEFMKRESA-N	1	0	329.440	3.255	50	10	in-vitro	EGCARO
OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccccc2O)C1	ZINC000019745464	1291192969	/nfs/dbraw/zinc/19/29/69/1291192969.db2.gz	JOKQGLRNCWBTIA-HXUWFJFHSA-N	1	0	329.415	3.349	50	10		EGCARO
Cc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097885	452836392	/nfs/dbraw/zinc/83/63/92/452836392.db2.gz	YOHOOUFGHMYWKJ-IBGZPJMESA-N	1	0	340.471	3.485	50	10		EGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(F)cc2)C1	ZINC000017136085	453629862	/nfs/dbraw/zinc/62/98/62/453629862.db2.gz	CCDSKCFWVDDEQJ-IBGZPJMESA-N	1	0	343.447	3.305	50	10		EGCARO
CC(C)(C)c1ccc(O)c(CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1	ZINC000067934530	453981994	/nfs/dbraw/zinc/98/19/94/453981994.db2.gz	GNAGTJIQVCWMGP-IBGZPJMESA-N	1	0	346.515	3.111	50	10		EGCARO
Cc1ccc(O)c(C[NH+]2CCC(n3cc(-c4ccccn4)nn3)CC2)c1	ZINC000023339920	1291234400	/nfs/dbraw/zinc/23/44/00/1291234400.db2.gz	URGASTXARAAQJB-UHFFFAOYSA-N	1	0	349.438	3.191	50	10		EGCARO
CCOc1ccccc1OCC[N@H+](C)Cc1c(O)cccc1OC	ZINC000055042056	214266906	/nfs/dbraw/zinc/26/69/06/214266906.db2.gz	DWESSCQEYLVSBH-UHFFFAOYSA-N	1	0	331.412	3.310	50	10		EGCARO
c1ccc2c(c1)CC(N1CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C1)C2	ZINC000020542249	212145364	/nfs/dbraw/zinc/14/53/64/212145364.db2.gz	NQBQWCUWNLYYJJ-NRFANRHFSA-N	1	0	348.490	3.343	50	10		EGCARO
[NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@H]21	ZINC000100858661	454468022	/nfs/dbraw/zinc/46/80/22/454468022.db2.gz	PZPYTMCCNSGMNY-DOTOQJQBSA-N	1	0	348.358	3.045	50	10		EGCARO
CC[C@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccccc2)c1C	ZINC000822634260	1320106850	/nfs/dbraw/zinc/10/68/50/1320106850.db2.gz	FMSPNKZMVLGUPA-QGZVFWFLSA-N	1	0	336.439	3.499	50	10		EGCARO
Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1	ZINC000003912319	210092086	/nfs/dbraw/zinc/09/20/86/210092086.db2.gz	AUUCPZJZXVDVKV-IBGZPJMESA-N	1	0	343.447	3.305	50	10		EGCARO
C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2O)CC1)c1ccccc1	ZINC000004599675	210230049	/nfs/dbraw/zinc/23/00/49/210230049.db2.gz	YGBNFDSTUQSHQM-MRXNPFEDSA-N	1	0	338.451	3.482	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1	ZINC000002966102	452735184	/nfs/dbraw/zinc/73/51/84/452735184.db2.gz	POKZFMGEFGVZBX-IBGZPJMESA-N	1	0	343.447	3.305	50	10		EGCARO
CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)[NH+](C)C)cc1	ZINC000005097740	210389972	/nfs/dbraw/zinc/38/99/72/210389972.db2.gz	KTZHIIYRAKTQQG-HXUWFJFHSA-N	1	0	339.483	3.104	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1	ZINC000019791422	212067947	/nfs/dbraw/zinc/06/79/47/212067947.db2.gz	FHOXHLNJQGNWRP-UHFFFAOYSA-N	1	0	346.858	3.372	50	10		EGCARO
CC(=O)C(=O)c1ccc(N[N+](=O)c2ccc(C(=O)C(C)=O)cc2)cc1	ZINC000004915268	210322237	/nfs/dbraw/zinc/32/22/37/210322237.db2.gz	ZXNJLJQKYRFLLW-VXPUYCOJSA-N	1	0	338.319	3.156	50	10		EGCARO
CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC)c1O)[NH2+]CC2	ZINC000000034588	279949837	/nfs/dbraw/zinc/94/98/37/279949837.db2.gz	YLSVTPWSJHSAGE-IBGZPJMESA-N	1	0	343.423	3.433	50	10	biogenic,in-vitro	EGCARO
CCOc1cc2c(cc1OCC)[C@@H](c1c(O)cccc1OC)[NH2+]CC2	ZINC000000034593	452493333	/nfs/dbraw/zinc/49/33/33/452493333.db2.gz	STBWVSJNJBTCRE-FQEVSTJZSA-N	1	0	343.423	3.433	50	10	biogenic	EGCARO
COc1ccc(N[C@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)cc1	ZINC000012304415	211339938	/nfs/dbraw/zinc/33/99/38/211339938.db2.gz	UOTSGWCBJIWXAS-INIZCTEOSA-N	1	0	342.439	3.486	50	10		EGCARO
CCc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)cc1	ZINC000002684424	452714909	/nfs/dbraw/zinc/71/49/09/452714909.db2.gz	SQUKBJZMXNIGLC-HXUWFJFHSA-N	1	0	339.484	3.420	50	10		EGCARO
COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(O)c1	ZINC000016663122	453617892	/nfs/dbraw/zinc/61/78/92/453617892.db2.gz	UVAJLKAIXYYBTG-UHFFFAOYSA-N	1	0	332.831	3.376	50	10		EGCARO
[NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@@H]21	ZINC000100858657	454467829	/nfs/dbraw/zinc/46/78/29/454467829.db2.gz	PZPYTMCCNSGMNY-NVXWUHKLSA-N	1	0	348.358	3.045	50	10		EGCARO
CN(C)c1ccc([C@H](CNC(=O)Nc2cccs2)[NH+](C)C)cc1	ZINC000022418282	212297121	/nfs/dbraw/zinc/29/71/21/212297121.db2.gz	GMAYCBHBLBTBDH-HNNXBMFYSA-N	1	0	332.473	3.239	50	10		EGCARO
COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(C)cc3C)CC2)cc1	ZINC000065255259	454544474	/nfs/dbraw/zinc/54/44/74/454544474.db2.gz	AJHMJOYIXVDZAP-NRFANRHFSA-N	1	0	340.467	3.168	50	10		EGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccccc2)C1	ZINC000002966065	209947113	/nfs/dbraw/zinc/94/71/13/209947113.db2.gz	SQCGQFVETFEGQE-IBGZPJMESA-N	1	0	325.457	3.166	50	10		EGCARO
Cc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1	ZINC000003912316	210093281	/nfs/dbraw/zinc/09/32/81/210093281.db2.gz	QNHHNEQVPUQQFA-HXUWFJFHSA-N	1	0	339.484	3.474	50	10		EGCARO
COc1ccc(O)c(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c1	ZINC000019720887	212058647	/nfs/dbraw/zinc/05/86/47/212058647.db2.gz	UAJUBANLYREQBU-IBGZPJMESA-N	1	0	340.467	3.497	50	10		EGCARO
COc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1O	ZINC000055292164	132194815	/nfs/dbraw/zinc/19/48/15/132194815.db2.gz	NADZVEJGXVKJBX-UHFFFAOYSA-N	1	0	332.831	3.376	50	10		EGCARO
COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000055542970	132195772	/nfs/dbraw/zinc/19/57/72/132195772.db2.gz	ZXPBMJCGXPXKNL-UHFFFAOYSA-N	1	0	325.456	3.083	50	10		EGCARO
CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1	ZINC000004676079	210244976	/nfs/dbraw/zinc/24/49/76/210244976.db2.gz	NNXLFUHXCVMIAA-UHFFFAOYSA-N	1	0	331.504	3.269	50	10		EGCARO
Cc1ccc(C)c([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)c1	ZINC000003912337	210092205	/nfs/dbraw/zinc/09/22/05/210092205.db2.gz	NGNXHSSXHPSNIQ-FQEVSTJZSA-N	1	0	339.484	3.474	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)c1	ZINC000002966104	209946710	/nfs/dbraw/zinc/94/67/10/209946710.db2.gz	SELPHLLAZPHGPN-IBGZPJMESA-N	1	0	325.457	3.166	50	10		EGCARO
COc1ccccc1N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000055543255	132195626	/nfs/dbraw/zinc/19/56/26/132195626.db2.gz	CLAVJIVZXNSTCS-UHFFFAOYSA-N	1	0	325.456	3.083	50	10		EGCARO
CCCc1nc(C)cc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1	ZINC000065488307	454576271	/nfs/dbraw/zinc/57/62/71/454576271.db2.gz	SUBLQEHBKXSLNK-UHFFFAOYSA-N	1	0	340.471	3.074	50	10		EGCARO
Oc1ccc(Br)cc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12	ZINC000022017474	212269511	/nfs/dbraw/zinc/26/95/11/212269511.db2.gz	XJNHERYXWJGEHS-QEJZJMRPSA-N	1	0	326.234	3.110	50	10		EGCARO
CCOCc1cc(C[NH2+][C@@H]2COc3ccccc3C2)ccc1OC	ZINC000019730753	212058121	/nfs/dbraw/zinc/05/81/21/212058121.db2.gz	MZDAFRGLCXOUIV-SFHVURJKSA-N	1	0	327.424	3.325	50	10		EGCARO
Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097664	210387924	/nfs/dbraw/zinc/38/79/24/210387924.db2.gz	QNQXTQZRFNDLQN-LJQANCHMSA-N	1	0	325.456	3.094	50	10		EGCARO
CCOc1ccccc1N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000055543044	132195795	/nfs/dbraw/zinc/19/57/95/132195795.db2.gz	QLKNCRQZEMRMOK-UHFFFAOYSA-N	1	0	339.483	3.474	50	10		EGCARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](CC=C(C)C)C3)CC2)cc1	ZINC000020536067	453666569	/nfs/dbraw/zinc/66/65/69/453666569.db2.gz	JYRAEADDLDSQDW-FQEVSTJZSA-N	1	0	343.515	3.248	50	10		EGCARO
COc1cccc(O)c1CN(CC[NH+](C)C)Cc1sccc1C	ZINC000055182757	214284059	/nfs/dbraw/zinc/28/40/59/214284059.db2.gz	JDCHFCJGCXHLSA-UHFFFAOYSA-N	1	0	334.485	3.335	50	10		EGCARO
COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000055715525	214339559	/nfs/dbraw/zinc/33/95/59/214339559.db2.gz	RZZCNCGHCQLOKV-IBGZPJMESA-N	1	0	346.858	3.204	50	10		EGCARO
CCc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1	ZINC000003912303	210092801	/nfs/dbraw/zinc/09/28/01/210092801.db2.gz	MFAZBGBSJNSDCL-HXUWFJFHSA-N	1	0	339.484	3.420	50	10		EGCARO
c1nn(-c2ccccn2)c2c1[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2	ZINC000012318448	275077771	/nfs/dbraw/zinc/07/77/71/275077771.db2.gz	OZFCMZHUJWKYJA-GOSISDBHSA-N	1	0	346.434	3.369	50	10		EGCARO
CCOc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1O	ZINC000016662852	453617952	/nfs/dbraw/zinc/61/79/52/453617952.db2.gz	GKEUWUOSVPEYGS-UHFFFAOYSA-N	1	0	343.423	3.366	50	10		EGCARO
CCc1csc(C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)n1	ZINC000823542483	1320186270	/nfs/dbraw/zinc/18/62/70/1320186270.db2.gz	HJUWZHGZVPBHML-UHFFFAOYSA-N	1	0	345.468	3.193	50	10		EGCARO
COc1ccc(C[NH2+]CC2(C)CCCCC2)cc1Cn1cncn1	ZINC000952862172	1334583294	/nfs/dbraw/zinc/58/32/94/1334583294.db2.gz	MZAWXJNWSKPPGT-UHFFFAOYSA-N	1	0	328.460	3.395	50	10		EGCARO
Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1	ZINC000003912318	210092446	/nfs/dbraw/zinc/09/24/46/210092446.db2.gz	AUUCPZJZXVDVKV-LJQANCHMSA-N	1	0	343.447	3.305	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1	ZINC000012703278	453392719	/nfs/dbraw/zinc/39/27/19/453392719.db2.gz	ZLFSGFMCPDZQLC-UHFFFAOYSA-N	1	0	341.451	3.218	50	10		EGCARO
Cc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3SCCN32)cc1	ZINC000015973952	453590632	/nfs/dbraw/zinc/59/06/32/453590632.db2.gz	RNJKCXKJZCORTR-IBGZPJMESA-N	1	0	325.457	3.084	50	10		EGCARO
Cc1ccc([C@@H](C)NC(=O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1	ZINC000065386575	454557142	/nfs/dbraw/zinc/55/71/42/454557142.db2.gz	ILYPKTUIWVKYIV-MRXNPFEDSA-N	1	0	338.451	3.287	50	10		EGCARO
OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccccc2O)C1	ZINC000019745466	1291193248	/nfs/dbraw/zinc/19/32/48/1291193248.db2.gz	JOKQGLRNCWBTIA-FQEVSTJZSA-N	1	0	329.415	3.349	50	10		EGCARO
CCOc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)c1O	ZINC000055182785	214284149	/nfs/dbraw/zinc/28/41/49/214284149.db2.gz	BEDGNMVTUWKYJS-MRXNPFEDSA-N	1	0	329.440	3.422	50	10		EGCARO
C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010213897	277036294	/nfs/dbraw/zinc/03/62/94/277036294.db2.gz	MTSXDFSNLZCSJN-SFHVURJKSA-N	1	0	349.434	3.358	50	10		EGCARO
CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000000299316	452557005	/nfs/dbraw/zinc/55/70/05/452557005.db2.gz	MCGVPIBAWMASDR-UHFFFAOYSA-N	1	0	338.451	3.263	50	10		EGCARO
CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+]3CCCCC3)c21	ZINC000000547292	452620187	/nfs/dbraw/zinc/62/01/87/452620187.db2.gz	WCYGMKRLXIWQNS-UHFFFAOYSA-N	1	0	330.428	3.355	50	10		EGCARO
Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1	ZINC000017041168	453626528	/nfs/dbraw/zinc/62/65/28/453626528.db2.gz	JCKIXBCDEZGXDZ-IBGZPJMESA-N	1	0	325.457	3.166	50	10		EGCARO
CN1CC[NH+]([C@H](c2cccs2)c2ccc3cccnc3c2O)CC1	ZINC000020507277	290055954	/nfs/dbraw/zinc/05/59/54/290055954.db2.gz	LZYJKFBBEIHIIQ-SFHVURJKSA-N	1	0	339.464	3.339	50	10		EGCARO
O[C@]1(c2ccc(Cl)cc2)C[N+](c2ccccc2)=C2SCCN21	ZINC000015962108	453590556	/nfs/dbraw/zinc/59/05/56/453590556.db2.gz	FMAWMBNOOLGQPY-KRWDZBQOSA-N	1	0	331.848	3.121	50	10		EGCARO
Cc1nc(Cn2ccnc2-c2ccc(O)c(C[NH+](C)C)c2)sc1C	ZINC000071752564	454214356	/nfs/dbraw/zinc/21/43/56/454214356.db2.gz	PLDVAGDYJMEYNB-UHFFFAOYSA-N	1	0	342.468	3.439	50	10		EGCARO
Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)cc1	ZINC000003912321	210092719	/nfs/dbraw/zinc/09/27/19/210092719.db2.gz	COBRWQAILDJETR-IBGZPJMESA-N	1	0	325.457	3.166	50	10		EGCARO
c1ccc2c(c1)CC(N1CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C1)C2	ZINC000020542246	212146173	/nfs/dbraw/zinc/14/61/73/212146173.db2.gz	NQBQWCUWNLYYJJ-OAQYLSRUSA-N	1	0	348.490	3.343	50	10		EGCARO
Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(C)c1	ZINC000000425723	292238895	/nfs/dbraw/zinc/23/88/95/292238895.db2.gz	IYINGRVFDAFAAB-FQEVSTJZSA-N	1	0	339.484	3.474	50	10		EGCARO
CCOC(=O)C1CC[NH+](Cc2cc(-c3cccnc3)ccc2O)CC1	ZINC000011787796	1291128054	/nfs/dbraw/zinc/12/80/54/1291128054.db2.gz	KZZOXOXBDDBVDB-UHFFFAOYSA-N	1	0	340.423	3.229	50	10		EGCARO
Cc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097778	210390345	/nfs/dbraw/zinc/39/03/45/210390345.db2.gz	QEKSLESZMKODPP-HXUWFJFHSA-N	1	0	339.483	3.023	50	10		EGCARO
Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097825	210390232	/nfs/dbraw/zinc/39/02/32/210390232.db2.gz	GMPWZZFHPQVAQY-IBGZPJMESA-N	1	0	325.456	3.094	50	10		EGCARO
Cc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3SCCN32)cc1	ZINC000015973953	453590664	/nfs/dbraw/zinc/59/06/64/453590664.db2.gz	RNJKCXKJZCORTR-LJQANCHMSA-N	1	0	325.457	3.084	50	10		EGCARO
COc1ccc(N2CCC([NH2+][C@@H](c3nccn3C)C(C)C)CC2)cc1	ZINC000067675985	453955212	/nfs/dbraw/zinc/95/52/12/453955212.db2.gz	WMUYJAOADXYIIY-LJQANCHMSA-N	1	0	342.487	3.384	50	10		EGCARO
COc1cccc(-c2ccc(O)c(C[N@H+](C)Cc3cc(C)no3)c2)n1	ZINC000011913264	211268201	/nfs/dbraw/zinc/26/82/01/211268201.db2.gz	CQSGOCBDFKBTQB-UHFFFAOYSA-N	1	0	339.395	3.391	50	10		EGCARO
CN1CCc2cc([C@H](CNC(=O)c3ccccc3)[NH+]3CCCC3)ccc21	ZINC000008963382	211024002	/nfs/dbraw/zinc/02/40/02/211024002.db2.gz	PUOQYLCKVNYDPY-NRFANRHFSA-N	1	0	349.478	3.246	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)c1	ZINC000002966106	452735899	/nfs/dbraw/zinc/73/58/99/452735899.db2.gz	SELPHLLAZPHGPN-LJQANCHMSA-N	1	0	325.457	3.166	50	10		EGCARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](CC=C(C)C)C3)CC2)cc1	ZINC000020536065	453666412	/nfs/dbraw/zinc/66/64/12/453666412.db2.gz	JYRAEADDLDSQDW-HXUWFJFHSA-N	1	0	343.515	3.248	50	10		EGCARO
Cc1ccc(C)c([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)c1	ZINC000003912336	210092815	/nfs/dbraw/zinc/09/28/15/210092815.db2.gz	NGNXHSSXHPSNIQ-HXUWFJFHSA-N	1	0	339.484	3.474	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3ccc(C)cc3)CC2)c1	ZINC000019210281	212004438	/nfs/dbraw/zinc/00/44/38/212004438.db2.gz	KDNPHVDEJDWHQX-UHFFFAOYSA-N	1	0	326.440	3.027	50	10	biogenic	EGCARO
COc1ccc(N[C@@H]2CCC[N@H+](Cc3c(O)cccc3OC)C2)cc1	ZINC000012304414	211340448	/nfs/dbraw/zinc/34/04/48/211340448.db2.gz	UOTSGWCBJIWXAS-MRXNPFEDSA-N	1	0	342.439	3.486	50	10		EGCARO
Cc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097886	210389544	/nfs/dbraw/zinc/38/95/44/210389544.db2.gz	YOHOOUFGHMYWKJ-LJQANCHMSA-N	1	0	340.471	3.485	50	10		EGCARO
COc1cccc(C[N@@H+]2CCCOc3c(cccc3OC)C2)c1O	ZINC000065394472	278010299	/nfs/dbraw/zinc/01/02/99/278010299.db2.gz	FTHJFWFNODBZMZ-UHFFFAOYSA-N	1	0	329.396	3.194	50	10		EGCARO
CCc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)cc1	ZINC000002684426	452715204	/nfs/dbraw/zinc/71/52/04/452715204.db2.gz	SQUKBJZMXNIGLC-FQEVSTJZSA-N	1	0	339.484	3.420	50	10		EGCARO
CC(C)(C)c1cc(C[NH+]2CCN(CCO)CC2)c(O)c(C(C)(C)C)c1	ZINC000022916882	453701744	/nfs/dbraw/zinc/70/17/44/453701744.db2.gz	VDTYKZHFCIMEIL-UHFFFAOYSA-N	1	0	348.531	3.097	50	10		EGCARO
C[NH+](C)Cc1cc(-c2nccn2-c2ccc3c(c2)OCO3)ccc1O	ZINC000067805132	215218349	/nfs/dbraw/zinc/21/83/49/215218349.db2.gz	QSQFGEYPLFXBQZ-UHFFFAOYSA-N	1	0	337.379	3.035	50	10		EGCARO
COc1cccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c1O	ZINC000005275072	452854194	/nfs/dbraw/zinc/85/41/94/452854194.db2.gz	NLLNFZUAVSJIDB-SFHVURJKSA-N	1	0	343.379	3.020	50	10		EGCARO
Fc1ccc(CC[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)cc1	ZINC000952969034	1334627195	/nfs/dbraw/zinc/62/71/95/1334627195.db2.gz	ANAANKWJQXPDNE-UHFFFAOYSA-N	1	0	342.414	3.356	50	10		EGCARO
CN(C)c1ccc([C@@H](CNC(=O)Nc2cccs2)[NH+](C)C)cc1	ZINC000022418284	212297035	/nfs/dbraw/zinc/29/70/35/212297035.db2.gz	GMAYCBHBLBTBDH-OAHLLOKOSA-N	1	0	332.473	3.239	50	10		EGCARO
OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccccc2O)C1	ZINC000019839585	212073747	/nfs/dbraw/zinc/07/37/47/212073747.db2.gz	XYWWORVLTJKCJU-HXUWFJFHSA-N	1	0	347.405	3.488	50	10		EGCARO
CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)[NH+](C)C)cc1	ZINC000005097741	210390516	/nfs/dbraw/zinc/39/05/16/210390516.db2.gz	KTZHIIYRAKTQQG-FQEVSTJZSA-N	1	0	339.483	3.104	50	10		EGCARO
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+](C)C)cc1	ZINC000005097788	210390194	/nfs/dbraw/zinc/39/01/94/210390194.db2.gz	RTEDNAIJCVBVPR-SFHVURJKSA-N	1	0	345.874	3.439	50	10		EGCARO
Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097663	210387828	/nfs/dbraw/zinc/38/78/28/210387828.db2.gz	QNQXTQZRFNDLQN-IBGZPJMESA-N	1	0	325.456	3.094	50	10		EGCARO
Oc1ccc(Br)cc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12	ZINC000043157549	454046486	/nfs/dbraw/zinc/04/64/86/454046486.db2.gz	XJNHERYXWJGEHS-SNPRPXQTSA-N	1	0	326.234	3.110	50	10		EGCARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C)cc3C)CC2)cc1	ZINC000065255258	454544780	/nfs/dbraw/zinc/54/47/80/454544780.db2.gz	AJHMJOYIXVDZAP-OAQYLSRUSA-N	1	0	340.467	3.168	50	10		EGCARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000049740655	454559536	/nfs/dbraw/zinc/55/95/36/454559536.db2.gz	ROHTTZHVALHXEH-UHFFFAOYSA-N	1	0	343.858	3.022	50	10		EGCARO
CC[C@@H](c1nc(C)no1)n1ccnc1-c1ccc(O)c(C[NH+](C)C)c1	ZINC000077375442	454098429	/nfs/dbraw/zinc/09/84/29/454098429.db2.gz	YQHULDBTVSLIOM-HNNXBMFYSA-N	1	0	341.415	3.008	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1	ZINC000019792284	212068213	/nfs/dbraw/zinc/06/82/13/212068213.db2.gz	HHWZBEXLGGIMHH-UHFFFAOYSA-N	1	0	346.858	3.372	50	10		EGCARO
c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCC2	ZINC000012318449	453354634	/nfs/dbraw/zinc/35/46/34/453354634.db2.gz	OZFCMZHUJWKYJA-SFHVURJKSA-N	1	0	346.434	3.369	50	10		EGCARO
[NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@H]21	ZINC000100858667	454467523	/nfs/dbraw/zinc/46/75/23/454467523.db2.gz	PZPYTMCCNSGMNY-RDJZCZTQSA-N	1	0	348.358	3.045	50	10		EGCARO
COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(O)c1	ZINC000019634003	202015486	/nfs/dbraw/zinc/01/54/86/202015486.db2.gz	NIRKRXPRDYRHNN-VMPITWQZSA-N	1	0	338.451	3.232	50	10		EGCARO
COc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1O	ZINC000057534910	132200800	/nfs/dbraw/zinc/20/08/00/132200800.db2.gz	BSIZNKJCESUYAC-UHFFFAOYSA-N	1	0	326.440	3.340	50	10		EGCARO
O=C(c1ccco1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000019902824	212081499	/nfs/dbraw/zinc/08/14/99/212081499.db2.gz	KWSZFBMMIUCATB-UHFFFAOYSA-N	1	0	336.391	3.096	50	10		EGCARO
O=C1N=C(N2CC[N@@H+]3CCC[C@@H]3C2)S/C1=C/c1ccc(Cl)cc1	ZINC000020607842	296355041	/nfs/dbraw/zinc/35/50/41/296355041.db2.gz	DNQNEKWKCMCXMI-MFYHJKBNSA-N	1	0	347.871	3.090	50	10		EGCARO
COc1ccc([C@H](O)c2coc3ccc(O)c(C[NH+](C)C)c32)cc1	ZINC000004197720	452797570	/nfs/dbraw/zinc/79/75/70/452797570.db2.gz	IGMZSFPLLKGYRO-IBGZPJMESA-N	1	0	327.380	3.290	50	10		EGCARO
CC(C)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137884	453243728	/nfs/dbraw/zinc/24/37/28/453243728.db2.gz	XXMBNZFZOSPJNZ-HXUWFJFHSA-N	1	0	343.515	3.368	50	10		EGCARO
CCOc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)c1O	ZINC000055182786	453968047	/nfs/dbraw/zinc/96/80/47/453968047.db2.gz	BEDGNMVTUWKYJS-INIZCTEOSA-N	1	0	329.440	3.422	50	10		EGCARO
C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)CC1	ZINC000049740654	454559836	/nfs/dbraw/zinc/55/98/36/454559836.db2.gz	XPINCWBZAUQLRL-UHFFFAOYSA-N	1	0	343.858	3.022	50	10		EGCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+]C[C@@H]1CCCO1	ZINC000299788615	456781064	/nfs/dbraw/zinc/78/10/64/456781064.db2.gz	VSHVAMYFJMJSFZ-INIZCTEOSA-N	1	0	327.380	3.057	50	10		EGCARO
CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)[NH+](C)C)cc1	ZINC000022418276	212297246	/nfs/dbraw/zinc/29/72/46/212297246.db2.gz	APRBIINGNYNFLZ-GOSISDBHSA-N	1	0	344.434	3.316	50	10		EGCARO
COc1cccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1O	ZINC000055292206	132195010	/nfs/dbraw/zinc/19/50/10/132195010.db2.gz	GNYVCOXHVBTUDK-UHFFFAOYSA-N	1	0	326.440	3.340	50	10		EGCARO
CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)[NH+](C)C)cc1	ZINC000005097706	452835750	/nfs/dbraw/zinc/83/57/50/452835750.db2.gz	VBZDMCFBHZCPCS-QGZVFWFLSA-N	1	0	347.409	3.064	50	10		EGCARO
C[NH+](C)Cc1c2c3ccnc4c3n(c2ccc1O)c(=O)c1ccccc14	ZINC000006624568	452960908	/nfs/dbraw/zinc/96/09/08/452960908.db2.gz	HVJBBKOMQCZWEK-UHFFFAOYSA-N	1	0	343.386	3.359	50	10	biogenic	EGCARO
COc1ccc(O)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1	ZINC000019609015	202015622	/nfs/dbraw/zinc/01/56/22/202015622.db2.gz	LKOBJRSGVWILBT-VMPITWQZSA-N	1	0	338.451	3.232	50	10		EGCARO
[NH3+]C[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c(O)c(O)ccc21	ZINC000003782517	303413524	/nfs/dbraw/zinc/41/35/24/303413524.db2.gz	QLJOSZATCBCBDR-DFKUFRTHSA-N	1	0	329.440	3.255	50	10	in-vitro	EGCARO
O[C@@]1(c2ccc(Cl)cc2)C[N+](c2ccccc2)=C2SCCN21	ZINC000015962106	453589985	/nfs/dbraw/zinc/58/99/85/453589985.db2.gz	FMAWMBNOOLGQPY-QGZVFWFLSA-N	1	0	331.848	3.121	50	10		EGCARO
COc1ccc(N2CC[NH+](C[C@H](O)c3cc(C)ccc3C)CC2)cc1	ZINC000065255261	454545741	/nfs/dbraw/zinc/54/57/41/454545741.db2.gz	CUOIRRSPRPZDDM-NRFANRHFSA-N	1	0	340.467	3.168	50	10		EGCARO
CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3cccnc3)ccc2O)C1	ZINC000299786243	456780602	/nfs/dbraw/zinc/78/06/02/456780602.db2.gz	SCDQPSNUGRMHEV-QGZVFWFLSA-N	1	0	340.423	3.229	50	10		EGCARO
Nc1ccc(CC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1	ZINC000044126988	546542324	/nfs/dbraw/zinc/54/23/24/546542324.db2.gz	RPAPXEDQFIMNLB-UHFFFAOYSA-N	1	0	338.480	3.243	50	10		EGCARO
CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)cc2)[NH+](C)C)cc1	ZINC000022418274	212296522	/nfs/dbraw/zinc/29/65/22/212296522.db2.gz	APRBIINGNYNFLZ-SFHVURJKSA-N	1	0	344.434	3.316	50	10		EGCARO
COc1ccc(N2CCC([N@@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1	ZINC000095376197	203722241	/nfs/dbraw/zinc/72/22/41/203722241.db2.gz	OJLXNFIYTZLVAM-HXUWFJFHSA-N	1	0	330.472	3.167	50	10		EGCARO
COc1ccc(OC)c(-c2ccc(O)c(C[NH2+]C[C@H]3CCCO3)c2)c1	ZINC000299768348	258082725	/nfs/dbraw/zinc/08/27/25/258082725.db2.gz	UCBUXQLVJFLZDC-QGZVFWFLSA-N	1	0	343.423	3.345	50	10		EGCARO
COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c1	ZINC000055292051	132194911	/nfs/dbraw/zinc/19/49/11/132194911.db2.gz	UTPSIPRNMRTGSG-UHFFFAOYSA-N	1	0	332.831	3.376	50	10		EGCARO
CC[C@@H](CO)[N@H+](Cc1ccccc1C)Cc1c(O)cccc1OC	ZINC000063833337	454453570	/nfs/dbraw/zinc/45/35/70/454453570.db2.gz	VNELUZLLALUZOO-KRWDZBQOSA-N	1	0	329.440	3.482	50	10		EGCARO
Oc1ccccc1C[NH+]1CCN(c2cc(-c3ccccc3)[nH]n2)CC1	ZINC000049421021	454548626	/nfs/dbraw/zinc/54/86/26/454548626.db2.gz	RJMPUHWPGAYIGY-UHFFFAOYSA-N	1	0	334.423	3.105	50	10		EGCARO
CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3cccnc3)ccc2O)C1	ZINC000299786235	456779974	/nfs/dbraw/zinc/77/99/74/456779974.db2.gz	SCDQPSNUGRMHEV-KRWDZBQOSA-N	1	0	340.423	3.229	50	10		EGCARO
Oc1ccc(Br)cc1CN1CC[NH+](C2CCCC2)CC1	ZINC000019362242	212021292	/nfs/dbraw/zinc/02/12/92/212021292.db2.gz	YULOTOQYRFNNBE-UHFFFAOYSA-N	1	0	339.277	3.215	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)c1C	ZINC000000425726	452586895	/nfs/dbraw/zinc/58/68/95/452586895.db2.gz	BEWKYCOQFMWOKQ-HXUWFJFHSA-N	1	0	339.484	3.474	50	10		EGCARO
CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ncnn1CC	ZINC000534644793	459342068	/nfs/dbraw/zinc/34/20/68/459342068.db2.gz	HUJKUBCWNGSCDB-GOSISDBHSA-N	1	0	343.475	3.016	50	10		EGCARO
COc1ccc(N2CCC([N@@H+]3CCCN(C(C)C)CC3)CC2)cc1	ZINC000670465646	548220586	/nfs/dbraw/zinc/22/05/86/548220586.db2.gz	UDWKSYGAJSCYMU-UHFFFAOYSA-N	1	0	331.504	3.080	50	10		EGCARO
CCOc1cccc(C[NH+]2CCN(Cc3ccccc3)CC2)c1O	ZINC000019633073	212052749	/nfs/dbraw/zinc/05/27/49/212052749.db2.gz	YVWMMPJEUFYCBE-UHFFFAOYSA-N	1	0	326.440	3.109	50	10		EGCARO
CCOc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O	ZINC000023281771	453708011	/nfs/dbraw/zinc/70/80/11/453708011.db2.gz	ADRVFGDOTFNKRX-UHFFFAOYSA-N	1	0	330.403	3.252	50	10		EGCARO
COc1c(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(C(C)C)nn1C	ZINC000065474771	454572700	/nfs/dbraw/zinc/57/27/00/454572700.db2.gz	CSGGPANDOQSZPB-UHFFFAOYSA-N	1	0	342.487	3.224	50	10		EGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2cccs2)C1	ZINC000002966100	209946865	/nfs/dbraw/zinc/94/68/65/209946865.db2.gz	UVGYIGFQJSOQDG-QGZVFWFLSA-N	1	0	331.486	3.227	50	10		EGCARO
Oc1ccccc1C[NH+]1CCC(n2cc(Cc3ccccc3)nn2)CC1	ZINC000023338189	212369548	/nfs/dbraw/zinc/36/95/48/212369548.db2.gz	XIRQWFKROUPDKB-UHFFFAOYSA-N	1	0	348.450	3.412	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3cccs3)C2)c1	ZINC000000425732	452587124	/nfs/dbraw/zinc/58/71/24/452587124.db2.gz	OZRQEVVJJMSTTH-QGZVFWFLSA-N	1	0	331.486	3.227	50	10		EGCARO
CC(C)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137881	453244220	/nfs/dbraw/zinc/24/42/20/453244220.db2.gz	XXMBNZFZOSPJNZ-FQEVSTJZSA-N	1	0	343.515	3.368	50	10		EGCARO
CC[N@H+](CCn1cccn1)C1CCN(c2ccc3c(c2)CCC3)CC1	ZINC000952962112	1334625459	/nfs/dbraw/zinc/62/54/59/1334625459.db2.gz	AXEXXWQLGIBHSU-UHFFFAOYSA-N	1	0	338.499	3.363	50	10		EGCARO
COc1ccc(O)c(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1	ZINC000019720886	212058834	/nfs/dbraw/zinc/05/88/34/212058834.db2.gz	UAJUBANLYREQBU-LJQANCHMSA-N	1	0	340.467	3.497	50	10		EGCARO
CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccn3)ccc2O)C1	ZINC000299765868	258006091	/nfs/dbraw/zinc/00/60/91/258006091.db2.gz	YRNHTWWVBPYKHS-MRXNPFEDSA-N	1	0	340.423	3.229	50	10		EGCARO
COc1ccc(N2CCC([NH2+][C@H](c3nccn3C)C(C)C)CC2)cc1	ZINC000067675984	453955244	/nfs/dbraw/zinc/95/52/44/453955244.db2.gz	WMUYJAOADXYIIY-IBGZPJMESA-N	1	0	342.487	3.384	50	10		EGCARO
C[C@H](c1ccccn1)[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000952962772	1334625422	/nfs/dbraw/zinc/62/54/22/1334625422.db2.gz	HHHMCTJBQWWKEC-OAHLLOKOSA-N	1	0	339.439	3.472	50	10		EGCARO
CCOc1cccc(C[NH+]2CCN(c3ccccc3OC)CC2)c1O	ZINC000055292312	214302957	/nfs/dbraw/zinc/30/29/57/214302957.db2.gz	RGHUDWAEFYJZBJ-UHFFFAOYSA-N	1	0	342.439	3.122	50	10		EGCARO
CCc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1	ZINC000003912305	210092198	/nfs/dbraw/zinc/09/21/98/210092198.db2.gz	MFAZBGBSJNSDCL-FQEVSTJZSA-N	1	0	339.484	3.420	50	10		EGCARO
CCOc1cc2c(cc1OC)[C@H](c1ccc(N(C)C)cc1)[NH2+]CC2	ZINC000020494264	276493978	/nfs/dbraw/zinc/49/39/78/276493978.db2.gz	YTEHIFHPOCHALW-FQEVSTJZSA-N	1	0	326.440	3.395	50	10		EGCARO
C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214180	277036305	/nfs/dbraw/zinc/03/63/05/277036305.db2.gz	VHZQMSBUAIRHQU-LJQANCHMSA-N	1	0	349.434	3.358	50	10		EGCARO
CCc1ccc([N+]2=C3SCCCN3[C@@](O)(c3cccs3)C2)cc1	ZINC000015953399	453589675	/nfs/dbraw/zinc/58/96/75/453589675.db2.gz	NIGARXRJMKQBDE-SFHVURJKSA-N	1	0	345.513	3.481	50	10		EGCARO
Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)cc1	ZINC000003912320	210092845	/nfs/dbraw/zinc/09/28/45/210092845.db2.gz	COBRWQAILDJETR-LJQANCHMSA-N	1	0	325.457	3.166	50	10		EGCARO
CCOc1cc2c(cc1OCC)[C@H](c1c(O)cccc1OC)[NH2+]CC2	ZINC000000034594	452493500	/nfs/dbraw/zinc/49/35/00/452493500.db2.gz	STBWVSJNJBTCRE-HXUWFJFHSA-N	1	0	343.423	3.433	50	10	biogenic	EGCARO
O=S(=O)(Nc1ccc(O)c(C[NH+]2CCCCC2)c1)c1ccccc1	ZINC000000114704	452510624	/nfs/dbraw/zinc/51/06/24/452510624.db2.gz	YSDWBGNWIWSVKO-UHFFFAOYSA-N	1	0	346.452	3.179	50	10		EGCARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000055715527	214339503	/nfs/dbraw/zinc/33/95/03/214339503.db2.gz	RZZCNCGHCQLOKV-LJQANCHMSA-N	1	0	346.858	3.204	50	10		EGCARO
CC(C)(C)c1ccc(O)c(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1	ZINC000067934531	215253220	/nfs/dbraw/zinc/25/32/20/215253220.db2.gz	GNAGTJIQVCWMGP-LJQANCHMSA-N	1	0	346.515	3.111	50	10		EGCARO
COc1ccccc1[C@@H](c1cc2c(cc1O)OCO2)[NH+]1CCCC1	ZINC000005275106	452854387	/nfs/dbraw/zinc/85/43/87/452854387.db2.gz	GXWFQBXPJCWCBL-IBGZPJMESA-N	1	0	327.380	3.315	50	10		EGCARO
CCOc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)[NH2+]CC2	ZINC000020494267	453666236	/nfs/dbraw/zinc/66/62/36/453666236.db2.gz	YTEHIFHPOCHALW-HXUWFJFHSA-N	1	0	326.440	3.395	50	10		EGCARO
Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+]C[C@H]1CCCO1	ZINC000299788617	456780203	/nfs/dbraw/zinc/78/02/03/456780203.db2.gz	VSHVAMYFJMJSFZ-MRXNPFEDSA-N	1	0	327.380	3.057	50	10		EGCARO
Cc1nc2cc(-n3ccnc3-c3ccc(O)c(C[NH+](C)C)c3)ccc2[nH]1	ZINC000071767955	454217361	/nfs/dbraw/zinc/21/73/61/454217361.db2.gz	DIOCJIYSTQAQOM-UHFFFAOYSA-N	1	0	347.422	3.491	50	10		EGCARO
CN(C)c1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1	ZINC000020995527	1291195525	/nfs/dbraw/zinc/19/55/25/1291195525.db2.gz	YIAHTVBCJNGHNU-UHFFFAOYSA-N	1	0	347.466	3.069	50	10		EGCARO
Cc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1	ZINC000003912317	210093188	/nfs/dbraw/zinc/09/31/88/210093188.db2.gz	QNHHNEQVPUQQFA-FQEVSTJZSA-N	1	0	339.484	3.474	50	10		EGCARO
Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097729	210389871	/nfs/dbraw/zinc/38/98/71/210389871.db2.gz	MPZCNFYWQVVPOQ-FQEVSTJZSA-N	1	0	339.483	3.402	50	10		EGCARO
Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097826	210389675	/nfs/dbraw/zinc/38/96/75/210389675.db2.gz	GMPWZZFHPQVAQY-LJQANCHMSA-N	1	0	325.456	3.094	50	10		EGCARO
CCCCN1CCCc2cc(C[NH2+]CCCN3CCOCC3)ccc21	ZINC000032919777	453897340	/nfs/dbraw/zinc/89/73/40/453897340.db2.gz	ZLIYXCYYCFHTPN-UHFFFAOYSA-N	1	0	345.531	3.051	50	10		EGCARO
Oc1ccc(F)cc1C[N@H+](CCCn1ccnc1)Cc1ccncc1	ZINC000055119800	214275736	/nfs/dbraw/zinc/27/57/36/214275736.db2.gz	ADXIQEPEUQRBJB-UHFFFAOYSA-N	1	0	340.402	3.215	50	10		EGCARO
CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)[NH+](C)C)cc1	ZINC000005097707	210389822	/nfs/dbraw/zinc/38/98/22/210389822.db2.gz	VBZDMCFBHZCPCS-KRWDZBQOSA-N	1	0	347.409	3.064	50	10		EGCARO
CN1CCCc2cc([C@H](CNC(=O)C3CC3)[NH+]3CCCCC3)ccc21	ZINC000009137586	453244138	/nfs/dbraw/zinc/24/41/38/453244138.db2.gz	ISEWVAVXIPDWIT-FQEVSTJZSA-N	1	0	341.499	3.122	50	10		EGCARO
CC[C@H](c1nc(C)no1)n1ccnc1-c1ccc(O)c(C[NH+](C)C)c1	ZINC000077375446	454098419	/nfs/dbraw/zinc/09/84/19/454098419.db2.gz	YQHULDBTVSLIOM-OAHLLOKOSA-N	1	0	341.415	3.008	50	10		EGCARO
COc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1O	ZINC000023281706	1291233087	/nfs/dbraw/zinc/23/30/87/1291233087.db2.gz	YFESJQVYLFOZGF-UHFFFAOYSA-N	1	0	332.831	3.376	50	10		EGCARO
Oc1ccc(Br)cc1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12	ZINC000022017481	453685465	/nfs/dbraw/zinc/68/54/65/453685465.db2.gz	XJNHERYXWJGEHS-AEGPPILISA-N	1	0	326.234	3.110	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1	ZINC000020807377	212173993	/nfs/dbraw/zinc/17/39/93/212173993.db2.gz	JJOTWMFMADDLMQ-UHFFFAOYSA-N	1	0	346.858	3.372	50	10		EGCARO
OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccccc2O)C1	ZINC000019839587	212074320	/nfs/dbraw/zinc/07/43/20/212074320.db2.gz	XYWWORVLTJKCJU-FQEVSTJZSA-N	1	0	347.405	3.488	50	10		EGCARO
Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)[NH+]1CCCC1)OCO2	ZINC000005344583	452861547	/nfs/dbraw/zinc/86/15/47/452861547.db2.gz	NVESCVKOTAWAFE-LJQANCHMSA-N	1	0	341.363	3.035	50	10	biogenic	EGCARO
COc1cccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1O	ZINC000023281895	453707703	/nfs/dbraw/zinc/70/77/03/453707703.db2.gz	FBZCIJLCORZAHV-RMKNXTFCSA-N	1	0	338.451	3.232	50	10		EGCARO
Cc1cc(C(=O)NCCNc2cc[nH+]cc2C)c(C)n1-c1ccccc1	ZINC000828145245	1292435644	/nfs/dbraw/zinc/43/56/44/1292435644.db2.gz	WNDJOSSODLUNCX-UHFFFAOYSA-N	1	0	348.450	3.061	50	10		EGCARO
COc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3O)n2C)cc1	ZINC000009805809	211123691	/nfs/dbraw/zinc/12/36/91/211123691.db2.gz	YJWLTOLQGGFSJZ-UHFFFAOYSA-N	1	0	339.395	3.422	50	10		EGCARO
Cc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097730	210389772	/nfs/dbraw/zinc/38/97/72/210389772.db2.gz	MPZCNFYWQVVPOQ-HXUWFJFHSA-N	1	0	339.483	3.402	50	10		EGCARO
CCOc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1O	ZINC000016662748	453618312	/nfs/dbraw/zinc/61/83/12/453618312.db2.gz	RKQQGQDFRBLGBP-UHFFFAOYSA-N	1	0	330.403	3.252	50	10		EGCARO
COc1ccc(N2CCC([N@@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1	ZINC000095376196	218308997	/nfs/dbraw/zinc/30/89/97/218308997.db2.gz	OJLXNFIYTZLVAM-FQEVSTJZSA-N	1	0	330.472	3.167	50	10		EGCARO
COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1C[NH+](C)C	ZINC000008764276	211002189	/nfs/dbraw/zinc/00/21/89/211002189.db2.gz	OQSSEBVUBPPISU-UHFFFAOYSA-N	1	0	325.364	3.236	50	10	biogenic	EGCARO
COc1ccc(OC)c(-c2ccc(O)c(C[NH2+]C[C@@H]3CCCO3)c2)c1	ZINC000299768345	258083041	/nfs/dbraw/zinc/08/30/41/258083041.db2.gz	UCBUXQLVJFLZDC-KRWDZBQOSA-N	1	0	343.423	3.345	50	10		EGCARO
C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCCC2)cc1	ZINC000071754922	454214093	/nfs/dbraw/zinc/21/40/93/454214093.db2.gz	NVWWUCXNOMJIMM-INIZCTEOSA-N	1	0	329.488	3.196	50	10		EGCARO
COc1ccc([C@@H](O)c2coc3ccc(O)c(C[NH+](C)C)c32)cc1	ZINC000004197718	210144320	/nfs/dbraw/zinc/14/43/20/210144320.db2.gz	IGMZSFPLLKGYRO-LJQANCHMSA-N	1	0	327.380	3.290	50	10		EGCARO
C[NH+](C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O	ZINC000000210059	452536521	/nfs/dbraw/zinc/53/65/21/452536521.db2.gz	VFOIBQTXTFIORA-UHFFFAOYSA-N	1	0	332.831	3.080	50	10	biogenic	EGCARO
CN1c2ccccc2SC1=Cc1cc[n+](C)c2ccc(C(N)=O)cc12	ZINC000685944497	550456654	/nfs/dbraw/zinc/45/66/54/550456654.db2.gz	KDWBWUSKERZGTH-UHFFFAOYSA-O	1	0	348.451	3.329	50	10		EGCARO
Fc1ccc(C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)c(F)c1	ZINC000952969557	1334627220	/nfs/dbraw/zinc/62/72/20/1334627220.db2.gz	MFPQMGITWXIXFX-UHFFFAOYSA-N	1	0	346.377	3.452	50	10		EGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccccc2)C1	ZINC000002966067	209946260	/nfs/dbraw/zinc/94/62/60/209946260.db2.gz	SQCGQFVETFEGQE-LJQANCHMSA-N	1	0	325.457	3.166	50	10		EGCARO
CN1CCCc2cc([C@@H](CNC(=O)C3CC3)[NH+]3CCCCC3)ccc21	ZINC000009137582	453244758	/nfs/dbraw/zinc/24/47/58/453244758.db2.gz	ISEWVAVXIPDWIT-HXUWFJFHSA-N	1	0	341.499	3.122	50	10		EGCARO
c1csc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)c1	ZINC000952960299	1334625254	/nfs/dbraw/zinc/62/52/54/1334625254.db2.gz	AUGAJTCGMJHTBH-QGZVFWFLSA-N	1	0	328.481	3.437	50	10		EGCARO
C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(N2CCCC2)cc1	ZINC000071754923	296044179	/nfs/dbraw/zinc/04/41/79/296044179.db2.gz	NVWWUCXNOMJIMM-MRXNPFEDSA-N	1	0	329.488	3.196	50	10		EGCARO
CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)ccc1O)[NH2+]CC2	ZINC000000034502	208553130	/nfs/dbraw/zinc/55/31/30/208553130.db2.gz	DNDFOJCKNVHLPI-HXUWFJFHSA-N	1	0	343.423	3.433	50	10	biogenic	EGCARO
Cc1cnc(C)c(-c2ccc(O)c(C[NH2+]CCc3ccccn3)c2)n1	ZINC000299771034	258083811	/nfs/dbraw/zinc/08/38/11/258083811.db2.gz	YOGMEROXCKRFLN-UHFFFAOYSA-N	1	0	334.423	3.193	50	10		EGCARO
O=C(NC1CCCC1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000000819226	452637178	/nfs/dbraw/zinc/63/71/78/452637178.db2.gz	KMECYVFMELEMPW-UHFFFAOYSA-N	1	0	336.863	3.316	50	10		EGCARO
Cc1ccc([C@H](C)NC(=O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1	ZINC000065386576	454557909	/nfs/dbraw/zinc/55/79/09/454557909.db2.gz	ILYPKTUIWVKYIV-INIZCTEOSA-N	1	0	338.451	3.287	50	10		EGCARO
CCOc1ccccc1N1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000055292006	1291778793	/nfs/dbraw/zinc/77/87/93/1291778793.db2.gz	UDUFXXPTEYCARI-UHFFFAOYSA-N	1	0	342.439	3.122	50	10		EGCARO
CCn1nc(C)c(C[N@H+](CCOC)Cc2cc(F)ccc2O)c1C	ZINC000055252818	214296655	/nfs/dbraw/zinc/29/66/55/214296655.db2.gz	UHFCNGABRXJCGG-UHFFFAOYSA-N	1	0	335.423	3.013	50	10		EGCARO
CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1O)[NH2+]CC2	ZINC000000034587	452494572	/nfs/dbraw/zinc/49/45/72/452494572.db2.gz	YLSVTPWSJHSAGE-LJQANCHMSA-N	1	0	343.423	3.433	50	10	biogenic,in-vitro	EGCARO
Cc1ccc([C@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1	ZINC000000239739	452543914	/nfs/dbraw/zinc/54/39/14/452543914.db2.gz	YJILHKICIZMOQN-HXUWFJFHSA-N	1	0	339.484	3.161	50	10		EGCARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3cc(C)ccc3C)CC2)cc1	ZINC000065255260	454545614	/nfs/dbraw/zinc/54/56/14/454545614.db2.gz	CUOIRRSPRPZDDM-OAQYLSRUSA-N	1	0	340.467	3.168	50	10		EGCARO
COc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)c1O	ZINC000020992336	212194429	/nfs/dbraw/zinc/19/44/29/212194429.db2.gz	JNPWRXKHMZVBTD-KRWDZBQOSA-N	1	0	344.430	3.294	50	10		EGCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3cccc(C)c3)CC2)c1	ZINC000019235033	212007404	/nfs/dbraw/zinc/00/74/04/212007404.db2.gz	XMFKXFWHERKUCZ-UHFFFAOYSA-N	1	0	326.440	3.027	50	10		EGCARO
Cc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1	ZINC000005097776	210390166	/nfs/dbraw/zinc/39/01/66/210390166.db2.gz	QEKSLESZMKODPP-FQEVSTJZSA-N	1	0	339.483	3.023	50	10		EGCARO
Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097830	210389384	/nfs/dbraw/zinc/38/93/84/210389384.db2.gz	DWLSVBRSBZNLPV-LJQANCHMSA-N	1	0	325.456	3.094	50	10		EGCARO
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+](C)C)cc1	ZINC000005097666	210389415	/nfs/dbraw/zinc/38/94/15/210389415.db2.gz	UIXTYABQKFINLH-SFHVURJKSA-N	1	0	345.874	3.439	50	10		EGCARO
C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214178	273872438	/nfs/dbraw/zinc/87/24/38/273872438.db2.gz	VHZQMSBUAIRHQU-IBGZPJMESA-N	1	0	349.434	3.358	50	10		EGCARO
Cc1c(C[NH+](C)C)c2c(n1C)C(=O)c1ccc(Br)cc1-2	ZINC000000379038	274660808	/nfs/dbraw/zinc/66/08/08/274660808.db2.gz	OYLCUBJGWXJMOR-UHFFFAOYSA-N	1	0	333.229	3.369	50	10		EGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2cccs2)C1	ZINC000002966099	281348096	/nfs/dbraw/zinc/34/80/96/281348096.db2.gz	UVGYIGFQJSOQDG-KRWDZBQOSA-N	1	0	331.486	3.227	50	10		EGCARO
Oc1ccc(Br)cc1CN1CCC([NH+]2CCCC2)CC1	ZINC000002735008	452719404	/nfs/dbraw/zinc/71/94/04/452719404.db2.gz	HIQAWQABTTUWAF-UHFFFAOYSA-N	1	0	339.277	3.215	50	10		EGCARO
Cc1cc(C(C)(C)CC(C)(C)C)cc(C[NH+](CCO)CCO)c1O	ZINC000096027223	454264628	/nfs/dbraw/zinc/26/46/28/454264628.db2.gz	PHEOSESSRPGEFT-UHFFFAOYSA-N	1	0	337.504	3.201	50	10		EGCARO
CC[C@H](CO)[N@H+](Cc1ccccc1C)Cc1c(O)cccc1OC	ZINC000063833339	454453061	/nfs/dbraw/zinc/45/30/61/454453061.db2.gz	VNELUZLLALUZOO-QGZVFWFLSA-N	1	0	329.440	3.482	50	10		EGCARO
O=C(CC[NH2+]Cc1ccc2c(c1)CCCO2)Nc1cccc(F)c1	ZINC000065398656	454559699	/nfs/dbraw/zinc/55/96/99/454559699.db2.gz	BXQSXRKQOJEQHL-UHFFFAOYSA-N	1	0	328.387	3.269	50	10		EGCARO
c1csc(CN2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)c1	ZINC000952960298	1334625051	/nfs/dbraw/zinc/62/50/51/1334625051.db2.gz	AUGAJTCGMJHTBH-KRWDZBQOSA-N	1	0	328.481	3.437	50	10		EGCARO
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1c[nH]cn1	ZINC000100423165	219099357	/nfs/dbraw/zinc/09/93/57/219099357.db2.gz	NEMGPBHGLGXFBB-JXAWBTAJSA-N	1	0	337.427	3.019	50	10		EGCARO
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3cccs3)C2)c1	ZINC000000425731	452587757	/nfs/dbraw/zinc/58/77/57/452587757.db2.gz	OZRQEVVJJMSTTH-KRWDZBQOSA-N	1	0	331.486	3.227	50	10		EGCARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3Cl)cc2)CC1	ZINC000049740653	454559743	/nfs/dbraw/zinc/55/97/43/454559743.db2.gz	AAKGZLBZNYTXQZ-UHFFFAOYSA-N	1	0	343.858	3.022	50	10		EGCARO
CC(C)C[N@@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@H]1CCO	ZINC000104332859	219375841	/nfs/dbraw/zinc/37/58/41/219375841.db2.gz	OIUYYQRQQOUOLG-GOSISDBHSA-N	1	0	342.483	3.070	50	10		EGCARO
C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12	ZINC000010213901	211153122	/nfs/dbraw/zinc/15/31/22/211153122.db2.gz	MTSXDFSNLZCSJN-GOSISDBHSA-N	1	0	349.434	3.358	50	10		EGCARO
Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097829	210389505	/nfs/dbraw/zinc/38/95/05/210389505.db2.gz	DWLSVBRSBZNLPV-IBGZPJMESA-N	1	0	325.456	3.094	50	10		EGCARO
Cc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)cc1	ZINC000002966052	452735402	/nfs/dbraw/zinc/73/54/02/452735402.db2.gz	UUYARAHJJRZQGN-FQEVSTJZSA-N	1	0	339.484	3.474	50	10		EGCARO
COc1ccccc1[C@H](c1cc2c(cc1O)OCO2)[NH+]1CCCC1	ZINC000005275109	452855226	/nfs/dbraw/zinc/85/52/26/452855226.db2.gz	GXWFQBXPJCWCBL-LJQANCHMSA-N	1	0	327.380	3.315	50	10		EGCARO
CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ncnn1CC	ZINC000534644797	459341396	/nfs/dbraw/zinc/34/13/96/459341396.db2.gz	HUJKUBCWNGSCDB-SFHVURJKSA-N	1	0	343.475	3.016	50	10		EGCARO
Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3O)CC2)cc1	ZINC000004700114	210252579	/nfs/dbraw/zinc/25/25/79/210252579.db2.gz	YDJMRAXHAWFMKE-UHFFFAOYSA-N	1	0	338.451	3.229	50	10		EGCARO
CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1	ZINC000019594997	212049857	/nfs/dbraw/zinc/04/98/57/212049857.db2.gz	LSCYASZXPGHCDI-LJQANCHMSA-N	1	0	325.456	3.274	50	10		EGCARO
CN1CCc2cc([C@@H](CNC(=O)C3CCCC3)[NH+]3CCCC3)ccc21	ZINC000008963271	211024469	/nfs/dbraw/zinc/02/44/69/211024469.db2.gz	FYYAWGLTSCPWFX-HXUWFJFHSA-N	1	0	341.499	3.122	50	10		EGCARO
Cc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)cc1	ZINC000002966054	452735484	/nfs/dbraw/zinc/73/54/84/452735484.db2.gz	UUYARAHJJRZQGN-HXUWFJFHSA-N	1	0	339.484	3.474	50	10		EGCARO
[NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)[C@@H]21	ZINC000025691975	453783076	/nfs/dbraw/zinc/78/30/76/453783076.db2.gz	PZPYTMCCNSGMNY-WBVHZDCISA-N	1	0	348.358	3.045	50	10		EGCARO
CC[C@@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccccc2)c1C	ZINC000822634259	1320106940	/nfs/dbraw/zinc/10/69/40/1320106940.db2.gz	FMSPNKZMVLGUPA-KRWDZBQOSA-N	1	0	336.439	3.499	50	10		EGCARO
CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1	ZINC000019594999	212050156	/nfs/dbraw/zinc/05/01/56/212050156.db2.gz	LSCYASZXPGHCDI-IBGZPJMESA-N	1	0	325.456	3.274	50	10		EGCARO
Cc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1	ZINC000000239738	452544027	/nfs/dbraw/zinc/54/40/27/452544027.db2.gz	YJILHKICIZMOQN-FQEVSTJZSA-N	1	0	339.484	3.161	50	10		EGCARO
CC[NH+](CC)C/C=C/c1c(F)c(F)c(N2CCOCC2)c(F)c1F	ZINC000005065683	452836378	/nfs/dbraw/zinc/83/63/78/452836378.db2.gz	HLZJIJQTPZGQGB-AATRIKPKSA-N	1	0	346.368	3.435	50	10		EGCARO
C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2O)CC1)c1ccccc1	ZINC000004599674	210230752	/nfs/dbraw/zinc/23/07/52/210230752.db2.gz	YGBNFDSTUQSHQM-INIZCTEOSA-N	1	0	338.451	3.482	50	10		EGCARO
O=C1N=C(N2CC[N@@H+]3CCC[C@H]3C2)S/C1=C/c1ccc(Cl)cc1	ZINC000020607844	296355101	/nfs/dbraw/zinc/35/51/01/296355101.db2.gz	DNQNEKWKCMCXMI-GWQWUEFDSA-N	1	0	347.871	3.090	50	10		EGCARO
COc1cccc([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C[C@H]2O)c1	ZINC000065404950	454561197	/nfs/dbraw/zinc/56/11/97/454561197.db2.gz	ILBIWZQSLFFGOV-AZUAARDMSA-N	1	0	327.424	3.060	50	10		EGCARO
[NH3+]C[C@H]1O[C@@H](C23CC4CC(CC(C4)C2)C3)Cc2c(O)c(O)ccc21	ZINC000003871345	560190849	/nfs/dbraw/zinc/19/08/49/560190849.db2.gz	QLJOSZATCBCBDR-KELKAAFXSA-N	1	0	329.440	3.255	50	10	in-vitro	EGCARO