smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2)CC1	ZINC000011951213	539539514	/nfs/dbraw/zinc/53/95/14/539539514.db2.gz	RZESJOVFEBGMJD-UHFFFAOYSA-N	1	0	371.397	2.090	50	5		FEBARO
O=C(NC1CC1)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000024515404	539733157	/nfs/dbraw/zinc/73/31/57/539733157.db2.gz	FPEYUTSLAKPLAP-ROUUACIJSA-N	1	0	355.394	2.238	50	5		FEBARO
CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000028813955	539837315	/nfs/dbraw/zinc/83/73/15/539837315.db2.gz	SFOCYPJZHQVYBW-UHFFFAOYSA-N	1	0	358.398	2.055	50	5		FEBARO
CC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000032916562	539959515	/nfs/dbraw/zinc/95/95/15/539959515.db2.gz	IZEKFGCDYAWSRT-LBPRGKRZSA-N	1	0	361.851	2.401	50	5		FEBARO
CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035870413	539984049	/nfs/dbraw/zinc/98/40/49/539984049.db2.gz	PLRDNPWFGBHDEC-PKOBYXMFSA-N	1	0	372.469	2.336	50	5		FEBARO
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1	ZINC000010330856	204009747	/nfs/dbraw/zinc/00/97/47/204009747.db2.gz	MFCODGLOGUXWLG-QGZVFWFLSA-N	1	0	370.409	2.261	50	5		FEBARO
C[C@H]([NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1	ZINC000004765169	204161738	/nfs/dbraw/zinc/16/17/38/204161738.db2.gz	NNUQEVKCLAMJAN-ZUEVXXBESA-N	1	0	374.393	2.153	50	5		FEBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	ZINC000048356217	205161337	/nfs/dbraw/zinc/16/13/37/205161337.db2.gz	LCQGRVXWZNPDKD-HNNXBMFYSA-N	1	0	366.337	2.212	50	5		FEBARO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1	ZINC000095448269	542970184	/nfs/dbraw/zinc/97/01/84/542970184.db2.gz	WIPWDBURFAJREA-ZWKOTPCHSA-N	1	0	355.394	2.188	50	5		FEBARO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1NCCc1ccccc1	ZINC000019842855	527362704	/nfs/dbraw/zinc/36/27/04/527362704.db2.gz	LIRZLCMFCJTNJL-UHFFFAOYSA-N	1	0	370.453	2.364	50	5		FEBARO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[N@@H+](C)C1CC1)C1CC1	ZINC000225390277	548732640	/nfs/dbraw/zinc/73/26/40/548732640.db2.gz	KKKSQZWABOPBFT-UHFFFAOYSA-N	1	0	353.444	2.151	50	5		FEBARO
O=[N+]([O-])c1ccc(NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)c2ncccc12	ZINC000032909006	539958731	/nfs/dbraw/zinc/95/87/31/539958731.db2.gz	TULVWPWZRJXUNR-RDTXWAMCSA-N	1	0	372.425	2.292	50	5		FEBARO
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000040074202	540005608	/nfs/dbraw/zinc/00/56/08/540005608.db2.gz	PCVGNHGBIGAAER-UHFFFAOYSA-N	1	0	354.410	2.476	50	5		FEBARO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2OCCc3ccccc32)cc1	ZINC000004350531	204134721	/nfs/dbraw/zinc/13/47/21/204134721.db2.gz	PAVLJSHQPCIAPU-QFBILLFUSA-N	1	0	358.394	2.238	50	5		FEBARO
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1	ZINC000048368920	205161995	/nfs/dbraw/zinc/16/19/95/205161995.db2.gz	DPNKJUTZLKKSNY-GUYCJALGSA-N	1	0	363.414	2.294	50	5		FEBARO
COc1c2c(cc3c1[C@@H](CC(=O)C1CCOC1=O)[N+](C)(C)CC3)OCO2	ZINC000103938808	206236530	/nfs/dbraw/zinc/23/65/30/206236530.db2.gz	JGXPEYVSPZHZPO-CYBMUJFWSA-O	1	0	362.402	2.247	50	5		FEBARO
Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1	ZINC000079096158	542498887	/nfs/dbraw/zinc/49/88/87/542498887.db2.gz	QKNSUZULDZPZLX-AWEZNQCLSA-N	1	0	357.414	2.090	50	5		FEBARO
CCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1[N+](C)(C)C	ZINC000101136346	543026500	/nfs/dbraw/zinc/02/65/00/543026500.db2.gz	ZHESEXKBFWPZMZ-XHYRXIGBSA-N	1	0	366.478	2.078	50	5		FEBARO
CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000169681800	546160133	/nfs/dbraw/zinc/16/01/33/546160133.db2.gz	PLRDNPWFGBHDEC-HKUYNNGSSA-N	1	0	372.469	2.336	50	5		FEBARO
C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003373973	204095978	/nfs/dbraw/zinc/09/59/78/204095978.db2.gz	UGWBQSJWKDYWFQ-DOMZBBRYSA-N	1	0	357.366	2.351	50	5		FEBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1	ZINC000005157819	204195855	/nfs/dbraw/zinc/19/58/55/204195855.db2.gz	JCLVDYJDSHXOTC-UHFFFAOYSA-N	1	0	365.482	2.491	50	5		FEBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	ZINC000048356216	205160749	/nfs/dbraw/zinc/16/07/49/205160749.db2.gz	LCQGRVXWZNPDKD-OAHLLOKOSA-N	1	0	366.337	2.212	50	5		FEBARO
COc1c2c(cc3c1[C@H](CC(=O)C1CCOC1=O)[N+](C)(C)CC3)OCO2	ZINC000103938803	206236042	/nfs/dbraw/zinc/23/60/42/206236042.db2.gz	JGXPEYVSPZHZPO-ZDUSSCGKSA-O	1	0	362.402	2.247	50	5		FEBARO
C[NH+](C)CCNc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-]	ZINC000003908820	204115578	/nfs/dbraw/zinc/11/55/78/204115578.db2.gz	SDWLYVXREUSDDA-UHFFFAOYSA-N	1	0	353.382	2.472	50	5		FEBARO
C[NH+](C)CCCNC(=O)c1ccc2sc3cc(=O)c(N)cc-3nc2c1	ZINC000005508982	204212274	/nfs/dbraw/zinc/21/22/74/204212274.db2.gz	WLKVABKFEZLNDH-UHFFFAOYSA-N	1	0	356.451	2.025	50	5		FEBARO
CCC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1	ZINC000095412780	542969340	/nfs/dbraw/zinc/96/93/40/542969340.db2.gz	HXDZNNLIQHFWOG-UHFFFAOYSA-N	1	0	359.423	2.149	50	5		FEBARO
O=C(NC1CC1)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000024515399	539733433	/nfs/dbraw/zinc/73/34/33/539733433.db2.gz	FPEYUTSLAKPLAP-ZWKOTPCHSA-N	1	0	355.394	2.238	50	5		FEBARO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1	ZINC000007738568	204306093	/nfs/dbraw/zinc/30/60/93/204306093.db2.gz	MHKJVIVZKWOHHJ-GFCCVEGCSA-N	1	0	350.400	2.201	50	5		FEBARO
CCCC[N@@+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252509013	549671301	/nfs/dbraw/zinc/67/13/01/549671301.db2.gz	YBCNXCRZPWQOBR-JDOORYAZSA-N	1	0	360.474	2.233	50	5	biogenic,in-vitro	FEBARO
C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1	ZINC000007738569	204306015	/nfs/dbraw/zinc/30/60/15/204306015.db2.gz	MHKJVIVZKWOHHJ-LBPRGKRZSA-N	1	0	350.400	2.201	50	5		FEBARO
[NH3+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21	ZINC000170615017	546165389	/nfs/dbraw/zinc/16/53/89/546165389.db2.gz	SVWYOZSBWIKVRL-CQSZACIVSA-N	1	0	351.359	2.333	50	5		FEBARO
CCC(CC)[C@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[NH+](C)C	ZINC000012607497	539567651	/nfs/dbraw/zinc/56/76/51/539567651.db2.gz	ROJBNHXXUZUENB-INIZCTEOSA-N	1	0	372.491	2.281	50	5		FEBARO
O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000012768883	539572554	/nfs/dbraw/zinc/57/25/54/539572554.db2.gz	HKTAOQFUCKSJNQ-CQSZACIVSA-N	1	0	369.377	2.328	50	5		FEBARO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000023106664	539706065	/nfs/dbraw/zinc/70/60/65/539706065.db2.gz	QZWPPIAQYAOXHQ-CYBMUJFWSA-N	1	0	362.411	2.014	50	5		FEBARO
C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000058167294	209861572	/nfs/dbraw/zinc/86/15/72/209861572.db2.gz	HJHSVHLABUXQHV-KGLIPLIRSA-N	1	0	355.460	2.135	50	5		FEBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]CCOc2ccc(Cl)cc2)cc1	ZINC000084392640	527377363	/nfs/dbraw/zinc/37/73/63/527377363.db2.gz	CBBOIMMZGLEBKH-DLBZAZTESA-N	1	0	366.801	2.311	50	5		FEBARO
O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000048253743	570940720	/nfs/dbraw/zinc/94/07/20/570940720.db2.gz	DAOULPFDSMSULX-HNNXBMFYSA-N	1	0	357.414	2.140	50	5		FEBARO
O=C(NC1CC1)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000024515401	539733231	/nfs/dbraw/zinc/73/32/31/539733231.db2.gz	FPEYUTSLAKPLAP-QZTJIDSGSA-N	1	0	355.394	2.238	50	5		FEBARO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1	ZINC000047032384	209328945	/nfs/dbraw/zinc/32/89/45/209328945.db2.gz	PVFSUMOJJHPQRF-INIZCTEOSA-N	1	0	363.439	2.046	50	5		FEBARO
CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CC(C)C	ZINC000012587553	207398329	/nfs/dbraw/zinc/39/83/29/207398329.db2.gz	BJGDZAFCISOXRJ-CYBMUJFWSA-N	1	0	372.491	2.411	50	5		FEBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1	ZINC000005249774	539406374	/nfs/dbraw/zinc/40/63/74/539406374.db2.gz	SHRFFOLZIFPFHM-ZDUSSCGKSA-N	1	0	365.482	2.347	50	5		FEBARO
CN1CC[NH+](C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)CC1	ZINC000027744295	539815644	/nfs/dbraw/zinc/81/56/44/539815644.db2.gz	JXAKRXRTYBQQQF-UHFFFAOYSA-N	1	0	360.458	2.275	50	5		FEBARO
C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1	ZINC000041630854	208287645	/nfs/dbraw/zinc/28/76/45/208287645.db2.gz	SYJGYEWHXFNZFU-UHFFFAOYSA-N	1	0	361.851	2.401	50	5		FEBARO
COc1cccc(NC(=O)c2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)c1	ZINC000004978063	539397698	/nfs/dbraw/zinc/39/76/98/539397698.db2.gz	TUMWCDYVJUCINJ-UHFFFAOYSA-N	1	0	356.382	2.265	50	5		FEBARO
CC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000032916563	539959706	/nfs/dbraw/zinc/95/97/06/539959706.db2.gz	IZEKFGCDYAWSRT-GFCCVEGCSA-N	1	0	361.851	2.401	50	5		FEBARO
C[NH+](C)CCNc1ncccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000080773797	542607421	/nfs/dbraw/zinc/60/74/21/542607421.db2.gz	VPMLPVXKQDACOS-UHFFFAOYSA-N	1	0	358.402	2.285	50	5		FEBARO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C	ZINC000247643307	519463937	/nfs/dbraw/zinc/46/39/37/519463937.db2.gz	IQQCPPHPTMQNLR-BBTUJRGHSA-N	1	0	364.554	2.382	50	5		FEBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@H]2COCC[C@H]21	ZINC000230127303	548757763	/nfs/dbraw/zinc/75/77/63/548757763.db2.gz	PRYDPFCTMGXDTE-CABCVRRESA-N	1	0	351.428	2.048	50	5		FEBARO
CC(C)[NH+]1CCC(N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000024208138	539727547	/nfs/dbraw/zinc/72/75/47/539727547.db2.gz	UYQLBIZIBYFVMY-UHFFFAOYSA-N	1	0	355.460	2.307	50	5		FEBARO
Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019812888	524963991	/nfs/dbraw/zinc/96/39/91/524963991.db2.gz	WWPBGEJSWDKKKU-LJQANCHMSA-N	1	0	371.437	2.465	50	5		FEBARO
COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000170615014	546165994	/nfs/dbraw/zinc/16/59/94/546165994.db2.gz	DZYWYKZZHMWKAA-HNNXBMFYSA-N	1	0	363.395	2.202	50	5		FEBARO
CC(C)CNC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048272301	570939680	/nfs/dbraw/zinc/93/96/80/570939680.db2.gz	CCFICZSGFDLGJL-CQSZACIVSA-N	1	0	359.430	2.386	50	5		FEBARO
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1	ZINC000010330855	539516384	/nfs/dbraw/zinc/51/63/84/539516384.db2.gz	MFCODGLOGUXWLG-KRWDZBQOSA-N	1	0	370.409	2.261	50	5		FEBARO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000028813953	209811676	/nfs/dbraw/zinc/81/16/76/209811676.db2.gz	DCUMIVFDIKZZNN-UHFFFAOYSA-N	1	0	370.409	2.199	50	5		FEBARO
C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1	ZINC000058167295	540830769	/nfs/dbraw/zinc/83/07/69/540830769.db2.gz	HJHSVHLABUXQHV-KBPBESRZSA-N	1	0	355.460	2.135	50	5		FEBARO
O=[N+]([O-])c1cccc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1	ZINC000007540289	207198461	/nfs/dbraw/zinc/19/84/61/207198461.db2.gz	YBTYXDIVLZDLBT-UHFFFAOYSA-N	1	0	356.411	2.452	50	5		FEBARO
CCCCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1[N+](C)(C)C	ZINC000257347198	549728586	/nfs/dbraw/zinc/72/85/86/549728586.db2.gz	ZHESEXKBFWPZMZ-WMDIELAYSA-N	1	0	366.478	2.078	50	5		FEBARO
C[NH+](C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12	ZINC000002957471	539356984	/nfs/dbraw/zinc/35/69/84/539356984.db2.gz	BXYDVWIAGDJBEC-UHFFFAOYSA-N	1	0	360.417	2.292	50	5	in-vitro	FEBARO
C[NH+]1CCN(c2cc(NCc3ccccc3)c([N+](=O)[O-])c3nonc32)CC1	ZINC000004900512	539395740	/nfs/dbraw/zinc/39/57/40/539395740.db2.gz	NBKQMZXHSLCLLM-UHFFFAOYSA-N	1	0	368.397	2.495	50	5		FEBARO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000004983197	539398762	/nfs/dbraw/zinc/39/87/62/539398762.db2.gz	KSPCSQNXCHLXLL-UHFFFAOYSA-N	1	0	370.409	2.364	50	5		FEBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1	ZINC000005249775	132827677	/nfs/dbraw/zinc/82/76/77/132827677.db2.gz	SHRFFOLZIFPFHM-CYBMUJFWSA-N	1	0	365.482	2.347	50	5		FEBARO
CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000225478196	548734831	/nfs/dbraw/zinc/73/48/31/548734831.db2.gz	ZVFDHCJUPZSYCF-VIFPVBQESA-N	1	0	369.365	2.265	50	5		FEBARO
CCCC[N@+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000256918498	549710848	/nfs/dbraw/zinc/71/08/48/549710848.db2.gz	YBCNXCRZPWQOBR-FDVKURQKSA-N	1	0	360.474	2.233	50	5		FEBARO
C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003373972	539364702	/nfs/dbraw/zinc/36/47/02/539364702.db2.gz	UGWBQSJWKDYWFQ-WFASDCNBSA-N	1	0	357.366	2.351	50	5		FEBARO
CC(=O)c1ccc(N2CCC(C[NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])c1	ZINC000057151544	136128212	/nfs/dbraw/zinc/12/82/12/136128212.db2.gz	WNGPRIYAGNKJFQ-UHFFFAOYSA-N	1	0	360.458	2.261	50	5		FEBARO
CN1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)CC1	ZINC000008673742	539489852	/nfs/dbraw/zinc/48/98/52/539489852.db2.gz	CZISWAXVKJTPDY-UHFFFAOYSA-N	1	0	360.458	2.275	50	5		FEBARO
CC[NH+](CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CC(C)C	ZINC000012587557	539566906	/nfs/dbraw/zinc/56/69/06/539566906.db2.gz	BJGDZAFCISOXRJ-ZDUSSCGKSA-N	1	0	372.491	2.411	50	5		FEBARO
CCOC(=O)N1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000004007826	132386186	/nfs/dbraw/zinc/38/61/86/132386186.db2.gz	OSPFMRBZPWEIBP-UHFFFAOYSA-N	1	0	362.430	2.338	50	5		FEBARO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C	ZINC000106534495	222387047	/nfs/dbraw/zinc/38/70/47/222387047.db2.gz	IQQCPPHPTMQNLR-WAOWUJCRSA-N	1	0	364.554	2.382	50	5		FEBARO
CCCC[N@@+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000242723020	548886604	/nfs/dbraw/zinc/88/66/04/548886604.db2.gz	YBCNXCRZPWQOBR-IGDPVYPXSA-N	1	0	360.474	2.233	50	5	biogenic,world	FEBARO
CCC(CC)[C@@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[NH+](C)C	ZINC000012607495	539568186	/nfs/dbraw/zinc/56/81/86/539568186.db2.gz	ROJBNHXXUZUENB-MRXNPFEDSA-N	1	0	372.491	2.281	50	5		FEBARO
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1C	ZINC000075109992	542153433	/nfs/dbraw/zinc/15/34/33/542153433.db2.gz	MTGBJESRQBJHJU-CYBMUJFWSA-N	1	0	357.476	2.466	50	5		FEBARO
Cc1nc([N+](=O)[O-])c(NC2CC[NH+](CC3(O)CCCCC3)CC2)n1C	ZINC000101814707	570824300	/nfs/dbraw/zinc/82/43/00/570824300.db2.gz	FLEGYZZTFTUCAS-UHFFFAOYSA-N	1	0	351.451	2.208	50	5		FEBARO
O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000048253745	570940735	/nfs/dbraw/zinc/94/07/35/570940735.db2.gz	DAOULPFDSMSULX-OAHLLOKOSA-N	1	0	357.414	2.140	50	5		FEBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	ZINC000001060996	210312259	/nfs/dbraw/zinc/31/22/59/210312259.db2.gz	VNBLHBCVIWQMNS-CQSZACIVSA-N	1	0	352.310	2.170	50	5		FEBARO
O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048272387	570939437	/nfs/dbraw/zinc/93/94/37/570939437.db2.gz	MDGRHSFUURRELM-AWEZNQCLSA-N	1	0	357.414	2.140	50	5		FEBARO
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1	ZINC000048368922	570953373	/nfs/dbraw/zinc/95/33/73/570953373.db2.gz	DPNKJUTZLKKSNY-SUMWQHHRSA-N	1	0	363.414	2.294	50	5		FEBARO
C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000026715660	539791907	/nfs/dbraw/zinc/79/19/07/539791907.db2.gz	RGHZPKPOONXTSA-HNNXBMFYSA-N	1	0	360.366	2.195	50	5		FEBARO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1	ZINC000040156741	540008034	/nfs/dbraw/zinc/00/80/34/540008034.db2.gz	PFXRDKIQEBBHNX-UHFFFAOYSA-N	1	0	355.460	2.444	50	5		FEBARO
COC(=O)c1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000058128332	540829771	/nfs/dbraw/zinc/82/97/71/540829771.db2.gz	KEZNOCQGTDPQEU-LBPRGKRZSA-N	1	0	357.366	2.498	50	5		FEBARO
CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000169681799	546160160	/nfs/dbraw/zinc/16/01/60/546160160.db2.gz	PLRDNPWFGBHDEC-MJGOQNOKSA-N	1	0	372.469	2.336	50	5		FEBARO
O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000225850941	548745121	/nfs/dbraw/zinc/74/51/21/548745121.db2.gz	UHAIHMAJISJXKZ-GFCCVEGCSA-N	1	0	368.821	2.434	50	5		FEBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@@H]2COCC[C@H]21	ZINC000230127296	548758041	/nfs/dbraw/zinc/75/80/41/548758041.db2.gz	PRYDPFCTMGXDTE-HUUCEWRRSA-N	1	0	351.428	2.048	50	5		FEBARO
C[C@H]([NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1	ZINC000245256091	210210861	/nfs/dbraw/zinc/21/08/61/210210861.db2.gz	NNUQEVKCLAMJAN-ZBQZNYHESA-N	1	0	374.393	2.153	50	5		FEBARO
Cc1nn(CCC(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-]	ZINC000002780941	539352829	/nfs/dbraw/zinc/35/28/29/539352829.db2.gz	UBSHLLFKHVKBCQ-CYBMUJFWSA-N	1	0	353.467	2.422	50	5		FEBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1	ZINC000005157770	539403705	/nfs/dbraw/zinc/40/37/05/539403705.db2.gz	YVDUJTREQZIKSK-UHFFFAOYSA-N	1	0	351.455	2.101	50	5		FEBARO
C[N@@+]12CCc3cc4c(cc3[C@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4	ZINC000248087869	222961102	/nfs/dbraw/zinc/96/11/02/222961102.db2.gz	SZMZXQWCICMUFH-RTWAWAEBSA-N	1	0	354.382	2.048	50	5	biogenic,in-vitro	FEBARO
CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)[NH+](C)C	ZINC000096998326	222149899	/nfs/dbraw/zinc/14/98/99/222149899.db2.gz	GHLCQCGXKCEQFT-AWEZNQCLSA-N	1	0	373.475	2.248	50	5		FEBARO
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCC[N+](C)(C)C	ZINC000003199977	539361257	/nfs/dbraw/zinc/36/12/57/539361257.db2.gz	YBUFSKBUYUDVBJ-UHFFFAOYSA-N	1	0	350.508	2.280	50	5		FEBARO
C[N@@+]12CCc3cc4c(cc3[C@@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4	ZINC000248087873	549405552	/nfs/dbraw/zinc/40/55/52/549405552.db2.gz	SZMZXQWCICMUFH-SFTDATJTSA-N	1	0	354.382	2.048	50	5	biogenic,in-vitro	FEBARO
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1C	ZINC000024682989	539738124	/nfs/dbraw/zinc/73/81/24/539738124.db2.gz	AWJKITNCJQHZRV-UHFFFAOYSA-N	1	0	355.460	2.366	50	5		FEBARO
CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])[NH+](C)C	ZINC000097166144	222165714	/nfs/dbraw/zinc/16/57/14/222165714.db2.gz	HHEPDICLHAHRBA-HNNXBMFYSA-N	1	0	373.475	2.248	50	5		FEBARO
Cc1nn(CCC(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-]	ZINC000002780940	539352821	/nfs/dbraw/zinc/35/28/21/539352821.db2.gz	UBSHLLFKHVKBCQ-ZDUSSCGKSA-N	1	0	353.467	2.422	50	5		FEBARO
CN1CC[NH+](CCCNc2c3ccccc3sc(=O)c2[N+](=O)[O-])CC1	ZINC000003900642	539374223	/nfs/dbraw/zinc/37/42/23/539374223.db2.gz	ZABIUTKHDUYZCF-UHFFFAOYSA-N	1	0	362.455	2.219	50	5		FEBARO
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NCC[NH+](C)C)c12	ZINC000036618538	539991474	/nfs/dbraw/zinc/99/14/74/539991474.db2.gz	JZNKGHFLSZQJGO-UHFFFAOYSA-N	1	0	369.381	2.398	50	5		FEBARO
CCCC[N@+]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252509014	549671222	/nfs/dbraw/zinc/67/12/22/549671222.db2.gz	YBCNXCRZPWQOBR-ZLGGXKAXSA-N	1	0	360.474	2.233	50	5	biogenic,in-vitro	FEBARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000010332648	539516451	/nfs/dbraw/zinc/51/64/51/539516451.db2.gz	ISUHGSOFTFFKEQ-INIZCTEOSA-N	1	0	374.372	2.092	50	5		FEBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	ZINC000001060995	219361371	/nfs/dbraw/zinc/36/13/71/219361371.db2.gz	VNBLHBCVIWQMNS-AWEZNQCLSA-N	1	0	352.310	2.170	50	5		FEBARO
O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000225850955	548745164	/nfs/dbraw/zinc/74/51/64/548745164.db2.gz	UHAIHMAJISJXKZ-LBPRGKRZSA-N	1	0	368.821	2.434	50	5		FEBARO
C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCCCC1	ZINC000009113623	539497456	/nfs/dbraw/zinc/49/74/56/539497456.db2.gz	DYVQFKPROUVGPJ-UHFFFAOYSA-N	1	0	370.475	2.309	50	5		FEBARO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000023106523	539705862	/nfs/dbraw/zinc/70/58/62/539705862.db2.gz	VGDPFINGODGWDL-CYBMUJFWSA-N	1	0	362.411	2.014	50	5		FEBARO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C	ZINC000247643309	519462950	/nfs/dbraw/zinc/46/29/50/519462950.db2.gz	IQQCPPHPTMQNLR-LVCYWYKZSA-N	1	0	364.554	2.382	50	5		FEBARO
O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)ccc1Cl	ZINC000012915897	539578912	/nfs/dbraw/zinc/57/89/12/539578912.db2.gz	LWPWBZPBZQYOEQ-UHFFFAOYSA-N	1	0	359.835	2.153	50	5		FEBARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1	ZINC000023106661	539705949	/nfs/dbraw/zinc/70/59/49/539705949.db2.gz	QZWPPIAQYAOXHQ-ZDUSSCGKSA-N	1	0	362.411	2.014	50	5		FEBARO
COc1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-]	ZINC000097139894	222163701	/nfs/dbraw/zinc/16/37/01/222163701.db2.gz	LQZCFNRSCMYVIM-OAHLLOKOSA-N	1	0	371.459	2.002	50	5		FEBARO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000107075957	222390258	/nfs/dbraw/zinc/39/02/58/222390258.db2.gz	UDYBCCDHCNHRCR-MJBXVCDLSA-N	1	0	355.460	2.240	50	5		FEBARO
Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019812891	524963963	/nfs/dbraw/zinc/96/39/63/524963963.db2.gz	WWPBGEJSWDKKKU-IBGZPJMESA-N	1	0	371.437	2.465	50	5		FEBARO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000010331991	539516431	/nfs/dbraw/zinc/51/64/31/539516431.db2.gz	WPJIOSGQDINOLB-KRWDZBQOSA-N	1	0	370.409	2.261	50	5		FEBARO
COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1	ZINC000040095069	540006254	/nfs/dbraw/zinc/00/62/54/540006254.db2.gz	OJDRSURKISGDOD-CQSZACIVSA-N	1	0	366.418	2.082	50	5		FEBARO
Cc1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]	ZINC000050800125	221033693	/nfs/dbraw/zinc/03/36/93/221033693.db2.gz	CQIQMLIPFGMUST-UHFFFAOYSA-N	1	0	360.458	2.192	50	5		FEBARO
COc1ccc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-]	ZINC000097139896	222162840	/nfs/dbraw/zinc/16/28/40/222162840.db2.gz	LQZCFNRSCMYVIM-HNNXBMFYSA-N	1	0	371.459	2.002	50	5		FEBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCN4)CC2)cc1	ZINC000020287217	527362892	/nfs/dbraw/zinc/36/28/92/527362892.db2.gz	MJVXGNOUEZOQSG-HXUWFJFHSA-N	1	0	368.437	2.418	50	5		FEBARO
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000019813141	527372656	/nfs/dbraw/zinc/37/26/56/527372656.db2.gz	YUCVJMDCNFAFMN-GOSISDBHSA-N	1	0	357.410	2.157	50	5		FEBARO
COc1c2c(cc3c1[C@H](CC(=O)CCn1cccn1)[N+](C)(C)CC3)OCO2	ZINC000002102309	539345028	/nfs/dbraw/zinc/34/50/28/539345028.db2.gz	FAPHPOOQOWWHSJ-INIZCTEOSA-N	1	0	372.445	2.344	50	5	biogenic	FEBARO
C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003373976	539364546	/nfs/dbraw/zinc/36/45/46/539364546.db2.gz	UGWBQSJWKDYWFQ-SWLSCSKDSA-N	1	0	357.366	2.351	50	5		FEBARO
C[NH+]1CCN(c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000005050034	539401604	/nfs/dbraw/zinc/40/16/04/539401604.db2.gz	QKZOVDQBICBEHV-UHFFFAOYSA-N	1	0	370.409	2.364	50	5		FEBARO
C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000004983498	539398480	/nfs/dbraw/zinc/39/84/80/539398480.db2.gz	BIFRVEGQCSZCMO-UHFFFAOYSA-N	1	0	370.409	2.364	50	5		FEBARO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000007616228	539461877	/nfs/dbraw/zinc/46/18/77/539461877.db2.gz	TXYJRZAACNAOLE-UHFFFAOYSA-N	1	0	355.460	2.491	50	5		FEBARO
C[N@@H+]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	ZINC000095448268	542969976	/nfs/dbraw/zinc/96/99/76/542969976.db2.gz	WIPWDBURFAJREA-QZTJIDSGSA-N	1	0	355.394	2.188	50	5		FEBARO
C[C@H]([NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	ZINC000013511699	539587710	/nfs/dbraw/zinc/58/77/10/539587710.db2.gz	NNUQEVKCLAMJAN-OHNRDTAOSA-N	1	0	374.393	2.153	50	5		FEBARO
CCc1ccc([C@@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[NH+](C)C)cc1	ZINC000027596086	539811137	/nfs/dbraw/zinc/81/11/37/539811137.db2.gz	HJPRDFHRHKTADW-QGZVFWFLSA-N	1	0	373.457	2.390	50	5		FEBARO
C[NH+](C)CCCNS(=O)(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	ZINC000015208387	204607011	/nfs/dbraw/zinc/60/70/11/204607011.db2.gz	YKXHAPLZXIQEQG-UHFFFAOYSA-N	1	0	370.475	2.179	50	5		FEBARO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1	ZINC000010541019	206280497	/nfs/dbraw/zinc/28/04/97/206280497.db2.gz	ALZIBKKPAQNCIM-UHFFFAOYSA-N	1	0	355.460	2.304	50	5		FEBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCN(c2ccccc2)CC1	ZINC000004674095	132387074	/nfs/dbraw/zinc/38/70/74/132387074.db2.gz	WYPAPJUZTDQHCB-UHFFFAOYSA-N	1	0	367.453	2.331	50	5		FEBARO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1OCCc2ccccc21	ZINC000004996911	539398519	/nfs/dbraw/zinc/39/85/19/539398519.db2.gz	LUXPIWUVQHWOHJ-BEFAXECRSA-N	1	0	358.394	2.238	50	5		FEBARO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH+](C)C)CCCCC1	ZINC000040105606	540006387	/nfs/dbraw/zinc/00/63/87/540006387.db2.gz	LPPQCLCSYDUPNM-UHFFFAOYSA-N	1	0	355.460	2.446	50	5		FEBARO
C[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000041577256	540025241	/nfs/dbraw/zinc/02/52/41/540025241.db2.gz	QUJQSWYAXXQREF-UHFFFAOYSA-N	1	0	368.437	2.272	50	5		FEBARO
Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1	ZINC000004653784	204151892	/nfs/dbraw/zinc/15/18/92/204151892.db2.gz	DQSVRBDIHPAYGX-UHFFFAOYSA-N	1	0	373.457	2.055	50	5		FEBARO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2OCCc3ccccc32)cc1	ZINC000004350534	204134085	/nfs/dbraw/zinc/13/40/85/204134085.db2.gz	PAVLJSHQPCIAPU-LPHOPBHVSA-N	1	0	358.394	2.238	50	5		FEBARO
O=C(CN1CC[NH+](CCc2cccs2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000058162281	206391740	/nfs/dbraw/zinc/39/17/40/206391740.db2.gz	BWSLUJBVMPOFDT-UHFFFAOYSA-N	1	0	374.466	2.455	50	5		FEBARO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)Cc1ccccc1	ZINC000002764938	204055366	/nfs/dbraw/zinc/05/53/66/204055366.db2.gz	LQOIKXJMTCDVOQ-UHFFFAOYSA-N	1	0	373.409	2.427	50	5		FEBARO
C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000109045525	206247150	/nfs/dbraw/zinc/24/71/50/206247150.db2.gz	HJHSVHLABUXQHV-ZIAGYGMSSA-N	1	0	355.460	2.135	50	5		FEBARO
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]CCOc2ccc(Cl)cc2)cc1	ZINC000084392637	527378653	/nfs/dbraw/zinc/37/86/53/527378653.db2.gz	CBBOIMMZGLEBKH-SJORKVTESA-N	1	0	366.801	2.311	50	5		FEBARO
O=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)c2ncccc12	ZINC000032909008	539958361	/nfs/dbraw/zinc/95/83/61/539958361.db2.gz	TULVWPWZRJXUNR-KBXCAEBGSA-N	1	0	372.425	2.292	50	5		FEBARO
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC([NH+]2CCCC2)CC1	ZINC000069973736	541728585	/nfs/dbraw/zinc/72/85/85/541728585.db2.gz	WCHYSACOYFSUJM-UHFFFAOYSA-N	1	0	361.398	2.066	50	5		FEBARO
Cn1nc(-c2ccc(NCC[NH+](C)C)c([N+](=O)[O-])c2)c2ccccc2c1=O	ZINC000004164466	204124631	/nfs/dbraw/zinc/12/46/31/204124631.db2.gz	DPSCHHXSBYZRON-UHFFFAOYSA-N	1	0	367.409	2.482	50	5		FEBARO
CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O	ZINC000252462538	206572073	/nfs/dbraw/zinc/57/20/73/206572073.db2.gz	UAUHEPXILIZYCU-ALHOSYKFSA-N	1	0	369.529	2.479	50	5	in-man	FEBARO
C[N@@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	ZINC000108146319	543283175	/nfs/dbraw/zinc/28/31/75/543283175.db2.gz	WIPWDBURFAJREA-ROUUACIJSA-N	1	0	355.394	2.188	50	5		FEBARO
O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1	ZINC000053990144	324753576	/nfs/dbraw/zinc/75/35/76/324753576.db2.gz	OCQKKJINJGDKHT-UHFFFAOYSA-N	1	0	370.409	2.149	50	5		FEBARO
Cc1sc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-]	ZINC000024444722	539732241	/nfs/dbraw/zinc/73/22/41/539732241.db2.gz	JNYGMLGPUNXTCS-UHFFFAOYSA-N	1	0	361.427	2.364	50	5		FEBARO
C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003373978	204096794	/nfs/dbraw/zinc/09/67/94/204096794.db2.gz	UGWBQSJWKDYWFQ-IUODEOHRSA-N	1	0	357.366	2.351	50	5		FEBARO
O=C(NCCC[NH+]1CCCCC1)c1ccc2nc3ccccc3c(=O)n2c1	ZINC000057477768	205241670	/nfs/dbraw/zinc/24/16/70/205241670.db2.gz	BUAJTLZODJXWNA-UHFFFAOYSA-N	1	0	364.449	2.454	50	5		FEBARO
COc1c2c(cc3c1[C@@H](CC(=O)CCn1cccn1)[N+](C)(C)CC3)OCO2	ZINC000002102307	206152606	/nfs/dbraw/zinc/15/26/06/206152606.db2.gz	FAPHPOOQOWWHSJ-MRXNPFEDSA-N	1	0	372.445	2.344	50	5	biogenic	FEBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CCOc2ccc(Cl)cc2)cc1	ZINC000084392638	527377346	/nfs/dbraw/zinc/37/73/46/527377346.db2.gz	CBBOIMMZGLEBKH-IAGOWNOFSA-N	1	0	366.801	2.311	50	5		FEBARO
C[NH+](C)CCCNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21	ZINC000005303111	204202307	/nfs/dbraw/zinc/20/23/07/204202307.db2.gz	NFXNAHSNVASWFM-UHFFFAOYSA-N	1	0	354.406	2.393	50	5		FEBARO
C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cn2)CC1	ZINC000032889673	539957028	/nfs/dbraw/zinc/95/70/28/539957028.db2.gz	RRXLBMLXAWDZRQ-UHFFFAOYSA-N	1	0	356.386	2.386	50	5		FEBARO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1	ZINC000047032386	209329369	/nfs/dbraw/zinc/32/93/69/209329369.db2.gz	PVFSUMOJJHPQRF-MRXNPFEDSA-N	1	0	363.439	2.046	50	5		FEBARO
CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])[NH+](C)C	ZINC000097166143	209174400	/nfs/dbraw/zinc/17/44/00/209174400.db2.gz	HHEPDICLHAHRBA-OAHLLOKOSA-N	1	0	373.475	2.248	50	5		FEBARO
Cc1n[n+]2c([N+](=O)[O-])c(C)[nH]n2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000012372001	207366678	/nfs/dbraw/zinc/36/66/78/207366678.db2.gz	AEMLPHTWNWADRW-UHFFFAOYSA-O	1	0	369.283	2.044	50	5		FEBARO
COc1ccc(NC(=O)c2ccc(N3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1	ZINC000004998210	518157878	/nfs/dbraw/zinc/15/78/78/518157878.db2.gz	QSPWYVCGPVYLEN-UHFFFAOYSA-N	1	0	356.382	2.265	50	5		FEBARO
C[N@+]12CCc3cc4c(cc3[C@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4	ZINC000248087865	549405734	/nfs/dbraw/zinc/40/57/34/549405734.db2.gz	SZMZXQWCICMUFH-NHCUHLMSSA-N	1	0	354.382	2.048	50	5	biogenic,in-vitro	FEBARO
O=[N+]([O-])c1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1	ZINC000057256243	540782255	/nfs/dbraw/zinc/78/22/55/540782255.db2.gz	UGMCWCRWIGODFN-UHFFFAOYSA-N	1	0	356.411	2.452	50	5		FEBARO
C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000026715656	539792029	/nfs/dbraw/zinc/79/20/29/539792029.db2.gz	RGHZPKPOONXTSA-OAHLLOKOSA-N	1	0	360.366	2.195	50	5		FEBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)N1	ZINC000004623164	207032949	/nfs/dbraw/zinc/03/29/49/207032949.db2.gz	HITVIZWXLYECFD-MRXNPFEDSA-N	1	0	374.364	2.431	50	5		FEBARO
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]CCOc2ccc(Cl)cc2)cc1	ZINC000084392639	527379177	/nfs/dbraw/zinc/37/91/77/527379177.db2.gz	CBBOIMMZGLEBKH-IRXDYDNUSA-N	1	0	366.801	2.311	50	5		FEBARO
CCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[N+](C)(C)C	ZINC000230099981	548757923	/nfs/dbraw/zinc/75/79/23/548757923.db2.gz	ZHESEXKBFWPZMZ-MPRNQXESSA-N	1	0	366.478	2.078	50	5		FEBARO
CC[NH+](CC)CCN(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC	ZINC000004357547	539382760	/nfs/dbraw/zinc/38/27/60/539382760.db2.gz	ABHGWUWDRGPTCJ-UHFFFAOYSA-N	1	0	352.435	2.083	50	5		FEBARO
COCCC[N@H+](C)CCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000076022930	542225858	/nfs/dbraw/zinc/22/58/58/542225858.db2.gz	KRZZUCPUPNDAQY-UHFFFAOYSA-N	1	0	371.459	2.023	50	5		FEBARO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH2+]CC2)cc1	ZINC000004984053	132825809	/nfs/dbraw/zinc/82/58/09/132825809.db2.gz	MKBGKABMPIXUIM-UHFFFAOYSA-N	1	0	356.382	2.265	50	5		FEBARO
CC(C)CNC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048272304	570939605	/nfs/dbraw/zinc/93/96/05/570939605.db2.gz	CCFICZSGFDLGJL-AWEZNQCLSA-N	1	0	359.430	2.386	50	5		FEBARO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000010332751	539515792	/nfs/dbraw/zinc/51/57/92/539515792.db2.gz	SLGXZBFTYMHQNK-MRXNPFEDSA-N	1	0	374.372	2.092	50	5		FEBARO
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000022034386	539690379	/nfs/dbraw/zinc/69/03/79/539690379.db2.gz	MOKVCFJBASTBPZ-FUNVUKJBSA-N	1	0	363.414	2.451	50	5		FEBARO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1	ZINC000060275114	540870335	/nfs/dbraw/zinc/87/03/35/540870335.db2.gz	SIKRNMWUGDZBRP-MRXNPFEDSA-N	1	0	363.462	2.070	50	5		FEBARO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000010331986	206886910	/nfs/dbraw/zinc/88/69/10/206886910.db2.gz	WPJIOSGQDINOLB-QGZVFWFLSA-N	1	0	370.409	2.261	50	5		FEBARO
CC[N+](C)(CC)CCC[C@@H](C)NC(=O)c1c(O)c2c([nH]c1=O)CCCC2	ZINC000005884571	207120529	/nfs/dbraw/zinc/12/05/29/207120529.db2.gz	CMQDOTQXWRFUNB-CQSZACIVSA-O	1	0	364.510	2.344	50	5		FEBARO
O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000242324354	526785959	/nfs/dbraw/zinc/78/59/59/526785959.db2.gz	ZANXALPXQAGQQA-ZDUSSCGKSA-N	1	0	352.822	2.357	50	5		FEBARO
NC(=O)CC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1	ZINC000040120737	208232459	/nfs/dbraw/zinc/23/24/59/208232459.db2.gz	WHDZGSUWKKLNIP-UHFFFAOYSA-N	1	0	374.466	2.316	50	5		FEBARO
CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@H]3[C@@H]5O)[C@H](CC)[C@H]2O	ZINC000252462541	549666303	/nfs/dbraw/zinc/66/63/03/549666303.db2.gz	UAUHEPXILIZYCU-RKXHOSSXSA-N	1	0	369.529	2.479	50	5		FEBARO
CC(=O)N(CC[N+]1(C)CCN(C(C)=O)CC1)C[C@@H]1[C@H](C)C=C(C)C[C@H]1C	ZINC000106534496	209590068	/nfs/dbraw/zinc/59/00/68/209590068.db2.gz	IQQCPPHPTMQNLR-DBXWQHBBSA-N	1	0	364.554	2.382	50	5		FEBARO
COC(=O)c1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000058128341	540829892	/nfs/dbraw/zinc/82/98/92/540829892.db2.gz	KEZNOCQGTDPQEU-GFCCVEGCSA-N	1	0	357.366	2.498	50	5		FEBARO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000075109592	542153155	/nfs/dbraw/zinc/15/31/55/542153155.db2.gz	UDYBCCDHCNHRCR-MGPQQGTHSA-N	1	0	355.460	2.240	50	5		FEBARO
CNS(=O)(=O)c1ccc(NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1	ZINC000008050594	207217745	/nfs/dbraw/zinc/21/77/45/207217745.db2.gz	GMQGTODBOYHNQZ-UHFFFAOYSA-N	1	0	370.475	2.179	50	5		FEBARO
C[N@+]12CCc3cc4c(cc3[C@@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4	ZINC000248087858	549405896	/nfs/dbraw/zinc/40/58/96/549405896.db2.gz	SZMZXQWCICMUFH-LEWJYISDSA-N	1	0	354.382	2.048	50	5	biogenic,in-vitro	FEBARO
O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048272390	570938945	/nfs/dbraw/zinc/93/89/45/570938945.db2.gz	MDGRHSFUURRELM-CQSZACIVSA-N	1	0	357.414	2.140	50	5		FEBARO
C[NH+]1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004757645	539392260	/nfs/dbraw/zinc/39/22/60/539392260.db2.gz	STGFAAXUKSHGOP-UHFFFAOYSA-N	1	0	370.409	2.364	50	5		FEBARO
CC[NH+](CC)CCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1	ZINC000057477750	540799208	/nfs/dbraw/zinc/79/92/08/540799208.db2.gz	PJAQMTMZJKVXQF-UHFFFAOYSA-N	1	0	352.438	2.309	50	5		FEBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)N1	ZINC000004623172	207032876	/nfs/dbraw/zinc/03/28/76/207032876.db2.gz	HITVIZWXLYECFD-INIZCTEOSA-N	1	0	374.364	2.431	50	5		FEBARO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1OCCc2ccccc21	ZINC000004996905	539398419	/nfs/dbraw/zinc/39/84/19/539398419.db2.gz	LUXPIWUVQHWOHJ-KXBFYZLASA-N	1	0	358.394	2.238	50	5		FEBARO
CC[N+](C)(CC)CCC[C@H](C)NC(=O)c1c(O)c2c([nH]c1=O)CCCC2	ZINC000005884572	210646482	/nfs/dbraw/zinc/64/64/82/210646482.db2.gz	CMQDOTQXWRFUNB-AWEZNQCLSA-O	1	0	364.510	2.344	50	5		FEBARO
C[NH+](C)CCNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1	ZINC000004306313	539381611	/nfs/dbraw/zinc/38/16/11/539381611.db2.gz	QGLXFFXXKYQWEU-UHFFFAOYSA-N	1	0	351.798	2.338	50	5		FEBARO
CCCn1c(O)c(C(=O)NCC[N+](C)(CC)CC)c(=O)c2ccccc21	ZINC000006075976	539421152	/nfs/dbraw/zinc/42/11/52/539421152.db2.gz	AFFGNZWMGFDHKO-UHFFFAOYSA-O	1	0	360.478	2.333	50	5		FEBARO
C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000010312821	539514915	/nfs/dbraw/zinc/51/49/15/539514915.db2.gz	SEELCGAGEMHOOA-UHFFFAOYSA-N	1	0	360.370	2.122	50	5		FEBARO
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000012779737	539573973	/nfs/dbraw/zinc/57/39/73/539573973.db2.gz	OWFHCTWNIUUZHS-UHFFFAOYSA-N	1	0	356.382	2.090	50	5		FEBARO
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1	ZINC000045939471	540234760	/nfs/dbraw/zinc/23/47/60/540234760.db2.gz	XMHOICOPINGXCV-UHFFFAOYSA-N	1	0	355.460	2.446	50	5		FEBARO
CC(C)NS(=O)(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1	ZINC000032743573	211559152	/nfs/dbraw/zinc/55/91/52/211559152.db2.gz	IFPBCHVVWCNSTL-UHFFFAOYSA-N	1	0	370.475	2.179	50	5		FEBARO
O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000075148764	542156064	/nfs/dbraw/zinc/15/60/64/542156064.db2.gz	ZANXALPXQAGQQA-CYBMUJFWSA-N	1	0	352.822	2.357	50	5		FEBARO
C[NH+](C)Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000009917311	210857241	/nfs/dbraw/zinc/85/72/41/210857241.db2.gz	HGBJQNHTOJZWLI-UHFFFAOYSA-N	1	0	371.393	2.358	50	5		FEBARO
O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nnc4cnccn43)CC2)cc1	ZINC000089787459	221742835	/nfs/dbraw/zinc/74/28/35/221742835.db2.gz	OZZNLCJSOIBEKJ-UHFFFAOYSA-N	1	0	352.398	2.455	50	5		FEBARO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000107075960	222389487	/nfs/dbraw/zinc/38/94/87/222389487.db2.gz	UDYBCCDHCNHRCR-MCIONIFRSA-N	1	0	355.460	2.240	50	5		FEBARO
CCCCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[N+](C)(C)C	ZINC000025664991	263388923	/nfs/dbraw/zinc/38/89/23/263388923.db2.gz	ZHESEXKBFWPZMZ-UHBLESBASA-N	1	0	366.478	2.078	50	5		FEBARO
CCCC[N@@+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000256918501	549710732	/nfs/dbraw/zinc/71/07/32/549710732.db2.gz	YBCNXCRZPWQOBR-VRJKEZBZSA-N	1	0	360.474	2.233	50	5		FEBARO
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1	ZINC000048368918	570953410	/nfs/dbraw/zinc/95/34/10/570953410.db2.gz	DPNKJUTZLKKSNY-CXAGYDPISA-N	1	0	363.414	2.294	50	5		FEBARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000023106521	539706278	/nfs/dbraw/zinc/70/62/78/539706278.db2.gz	VGDPFINGODGWDL-ZDUSSCGKSA-N	1	0	362.411	2.014	50	5		FEBARO
CCc1ccc([C@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[NH+](C)C)cc1	ZINC000027596089	539811538	/nfs/dbraw/zinc/81/15/38/539811538.db2.gz	HJPRDFHRHKTADW-KRWDZBQOSA-N	1	0	373.457	2.390	50	5		FEBARO
CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000032803891	539953525	/nfs/dbraw/zinc/95/35/25/539953525.db2.gz	STOSXNQFGZRJLX-UHFFFAOYSA-N	1	0	371.441	2.180	50	5		FEBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccn2)CC1	ZINC000013325063	220063602	/nfs/dbraw/zinc/06/36/02/220063602.db2.gz	ADUFVLMYQPFLOC-UHFFFAOYSA-N	1	0	371.397	2.348	50	5		FEBARO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000075109590	542153419	/nfs/dbraw/zinc/15/34/19/542153419.db2.gz	UDYBCCDHCNHRCR-HZSPNIEDSA-N	1	0	355.460	2.240	50	5		FEBARO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCN4)CC2)cc1	ZINC000020287215	527362516	/nfs/dbraw/zinc/36/25/16/527362516.db2.gz	MJVXGNOUEZOQSG-FQEVSTJZSA-N	1	0	368.437	2.418	50	5		FEBARO
CN(C)c1n[nH]c(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000225844596	548745157	/nfs/dbraw/zinc/74/51/57/548745157.db2.gz	CYJBGSCROOFJBG-UHFFFAOYSA-N	1	0	360.418	2.037	50	5		FEBARO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000012768885	539572971	/nfs/dbraw/zinc/57/29/71/539572971.db2.gz	HKTAOQFUCKSJNQ-AWEZNQCLSA-N	1	0	369.377	2.328	50	5		FEBARO
COc1ccccc1Nc1nc(NCCC[NH+](C)C)nc(N)c1[N+](=O)[O-]	ZINC000005484281	210623636	/nfs/dbraw/zinc/62/36/36/210623636.db2.gz	QEEHDVRSGWQODE-UHFFFAOYSA-N	1	0	361.406	2.083	50	5		FEBARO
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1	ZINC000052903991	221039839	/nfs/dbraw/zinc/03/98/39/221039839.db2.gz	VTBXIVKHEYPFBQ-CYBMUJFWSA-N	1	0	357.414	2.284	50	5		FEBARO
COc1cc(CSc2nc(N)cc(N)[nH+]2)c([N+](=O)[O-])cc1OC(F)F	ZINC000009339247	539501435	/nfs/dbraw/zinc/50/14/35/539501435.db2.gz	HKOFLHDXJJMNGC-UHFFFAOYSA-N	1	0	373.341	2.452	50	5		FEBARO
O=[N+]([O-])c1ccc(NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)c2ncccc12	ZINC000032909007	539958720	/nfs/dbraw/zinc/95/87/20/539958720.db2.gz	TULVWPWZRJXUNR-KSSFIOAISA-N	1	0	372.425	2.292	50	5		FEBARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000010332747	210358280	/nfs/dbraw/zinc/35/82/80/210358280.db2.gz	SLGXZBFTYMHQNK-INIZCTEOSA-N	1	0	374.372	2.092	50	5		FEBARO
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1	ZINC000052903989	221040984	/nfs/dbraw/zinc/04/09/84/221040984.db2.gz	VTBXIVKHEYPFBQ-ZDUSSCGKSA-N	1	0	357.414	2.284	50	5		FEBARO
[NH3+]CCc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2	ZINC000170615018	546165550	/nfs/dbraw/zinc/16/55/50/546165550.db2.gz	AJJTWLKTFFPYRQ-UHFFFAOYSA-N	1	0	361.423	2.238	50	5		FEBARO
COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000170615013	546165612	/nfs/dbraw/zinc/16/56/12/546165612.db2.gz	DZYWYKZZHMWKAA-OAHLLOKOSA-N	1	0	363.395	2.202	50	5		FEBARO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1NCc1ccccc1	ZINC000019419175	539657636	/nfs/dbraw/zinc/65/76/36/539657636.db2.gz	OQUFWNXVATWOEL-UHFFFAOYSA-N	1	0	356.426	2.321	50	5		FEBARO
C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-]	ZINC000170603351	546163405	/nfs/dbraw/zinc/16/34/05/546163405.db2.gz	IDDHWOVBPJOLTO-JQWIXIFHSA-N	1	0	363.386	2.486	50	5		FEBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1	ZINC000005139041	539403169	/nfs/dbraw/zinc/40/31/69/539403169.db2.gz	YJHSHYKGCOYIOE-UHFFFAOYSA-N	1	0	365.482	2.347	50	5		FEBARO
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1C	ZINC000075109990	542153122	/nfs/dbraw/zinc/15/31/22/542153122.db2.gz	MTGBJESRQBJHJU-ZDUSSCGKSA-N	1	0	357.476	2.466	50	5		FEBARO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	ZINC000010332654	210357974	/nfs/dbraw/zinc/35/79/74/210357974.db2.gz	ISUHGSOFTFFKEQ-MRXNPFEDSA-N	1	0	374.372	2.092	50	5		FEBARO
[NH3+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21	ZINC000170615016	546165929	/nfs/dbraw/zinc/16/59/29/546165929.db2.gz	SVWYOZSBWIKVRL-AWEZNQCLSA-N	1	0	351.359	2.333	50	5		FEBARO
Cc1nn(-c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	ZINC000004140771	539377244	/nfs/dbraw/zinc/37/72/44/539377244.db2.gz	YURMHQVMAHPAHE-UHFFFAOYSA-N	1	0	365.393	2.012	50	5		FEBARO
O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000031663612	539915197	/nfs/dbraw/zinc/91/51/97/539915197.db2.gz	HAENWGYCDPPRAI-INIZCTEOSA-N	1	0	370.409	2.136	50	5		FEBARO
CCCC[N@+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000242723018	222922123	/nfs/dbraw/zinc/92/21/23/222922123.db2.gz	YBCNXCRZPWQOBR-FRNBUXIHSA-N	1	0	360.474	2.233	50	5	biogenic,world	FEBARO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000019813144	527373029	/nfs/dbraw/zinc/37/30/29/527373029.db2.gz	YUCVJMDCNFAFMN-SFHVURJKSA-N	1	0	357.410	2.157	50	5		FEBARO
C[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cn2)CC1	ZINC000032889675	539956643	/nfs/dbraw/zinc/95/66/43/539956643.db2.gz	TVTUDRJORFUFDT-UHFFFAOYSA-N	1	0	356.386	2.386	50	5		FEBARO
CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O	ZINC000252462539	222967596	/nfs/dbraw/zinc/96/75/96/222967596.db2.gz	UAUHEPXILIZYCU-KOOTVNFASA-N	1	0	369.529	2.479	50	5		FEBARO
C[C@H]([NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	ZINC000004765161	219605711	/nfs/dbraw/zinc/60/57/11/219605711.db2.gz	NNUQEVKCLAMJAN-RFUYNDQBSA-N	1	0	374.393	2.153	50	5		FEBARO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1	ZINC000060275119	540870511	/nfs/dbraw/zinc/87/05/11/540870511.db2.gz	SIKRNMWUGDZBRP-INIZCTEOSA-N	1	0	363.462	2.070	50	5		FEBARO
O=C(NCC[NH+]1CCCCC1)c1ccc2nc3ccccc3c(=O)n2c1	ZINC000057477755	221089744	/nfs/dbraw/zinc/08/97/44/221089744.db2.gz	YJZPSEOBIIOOTJ-UHFFFAOYSA-N	1	0	350.422	2.063	50	5		FEBARO
CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@H]3[C@H]5O)[C@H](CC)[C@H]2O	ZINC000252462540	549666382	/nfs/dbraw/zinc/66/63/82/549666382.db2.gz	UAUHEPXILIZYCU-QVFMIYKMSA-N	1	0	369.529	2.479	50	5	in-man	FEBARO
Cc1c(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-]	ZINC000032903010	539957771	/nfs/dbraw/zinc/95/77/71/539957771.db2.gz	HJASOVCFZXPPLX-UHFFFAOYSA-N	1	0	369.425	2.449	50	5		FEBARO
CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(C)CC2)cc1OC	ZINC000046957323	540280068	/nfs/dbraw/zinc/28/00/68/540280068.db2.gz	VXKDHFRCTZSITK-UHFFFAOYSA-N	1	0	365.430	2.464	50	5		FEBARO
CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)[NH+](C)C	ZINC000096998323	222149088	/nfs/dbraw/zinc/14/90/88/222149088.db2.gz	GHLCQCGXKCEQFT-CQSZACIVSA-N	1	0	373.475	2.248	50	5		FEBARO
COc1ccc(Nc2nc(NCCC[NH+](C)C)nc(N)c2[N+](=O)[O-])cc1	ZINC000005052483	539401550	/nfs/dbraw/zinc/40/15/50/539401550.db2.gz	OWZXHXIELNNDIV-UHFFFAOYSA-N	1	0	361.406	2.083	50	5		FEBARO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1OCCc2ccccc21	ZINC000004996901	539398693	/nfs/dbraw/zinc/39/86/93/539398693.db2.gz	LUXPIWUVQHWOHJ-HNAYVOBHSA-N	1	0	358.394	2.238	50	5		FEBARO
O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-]	ZINC000031663614	539915039	/nfs/dbraw/zinc/91/50/39/539915039.db2.gz	HAENWGYCDPPRAI-MRXNPFEDSA-N	1	0	370.409	2.136	50	5		FEBARO
COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1	ZINC000040095072	540006107	/nfs/dbraw/zinc/00/61/07/540006107.db2.gz	OJDRSURKISGDOD-AWEZNQCLSA-N	1	0	366.418	2.082	50	5		FEBARO
COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1	ZINC000048368916	221011636	/nfs/dbraw/zinc/01/16/36/221011636.db2.gz	DPNKJUTZLKKSNY-DYVFJYSZSA-N	1	0	363.414	2.294	50	5		FEBARO
O=C(NC1CC1)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000024515407	539733044	/nfs/dbraw/zinc/73/30/44/539733044.db2.gz	FPEYUTSLAKPLAP-MSOLQXFVSA-N	1	0	355.394	2.238	50	5		FEBARO
CCOC(=O)c1cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1	ZINC000029091230	539842799	/nfs/dbraw/zinc/84/27/99/539842799.db2.gz	JJMBRMKDOOHKAZ-UHFFFAOYSA-N	1	0	361.398	2.128	50	5		FEBARO
CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035870412	539984191	/nfs/dbraw/zinc/98/41/91/539984191.db2.gz	PLRDNPWFGBHDEC-IEBWSBKVSA-N	1	0	372.469	2.336	50	5		FEBARO
C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1	ZINC000109045528	543312468	/nfs/dbraw/zinc/31/24/68/543312468.db2.gz	HJHSVHLABUXQHV-UONOGXRCSA-N	1	0	355.460	2.135	50	5		FEBARO
CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000225478235	548735220	/nfs/dbraw/zinc/73/52/20/548735220.db2.gz	ZVFDHCJUPZSYCF-SECBINFHSA-N	1	0	369.365	2.265	50	5		FEBARO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1OCCc2ccccc21	ZINC000004996909	539398711	/nfs/dbraw/zinc/39/87/11/539398711.db2.gz	LUXPIWUVQHWOHJ-DNVCBOLYSA-N	1	0	358.394	2.238	50	5		FEBARO
O=[N+]([O-])c1ccc(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)c2ncccc12	ZINC000032909005	539958598	/nfs/dbraw/zinc/95/85/98/539958598.db2.gz	TULVWPWZRJXUNR-KDOFPFPSSA-N	1	0	372.425	2.292	50	5		FEBARO
Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1	ZINC000079096151	542499326	/nfs/dbraw/zinc/49/93/26/542499326.db2.gz	QKNSUZULDZPZLX-CQSZACIVSA-N	1	0	357.414	2.090	50	5		FEBARO
C[N@@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	ZINC000222029238	568111277	/nfs/dbraw/zinc/11/12/77/568111277.db2.gz	WIPWDBURFAJREA-MSOLQXFVSA-N	1	0	355.394	2.188	50	5		FEBARO
NC(=O)c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)c([N+](=O)[O-])c1	ZINC000058130389	221098240	/nfs/dbraw/zinc/09/82/40/221098240.db2.gz	XZVAXITWKAYRJG-UHFFFAOYSA-N	1	0	356.382	2.398	50	5		FEBARO
COC(=O)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C	ZINC000069923654	221328662	/nfs/dbraw/zinc/32/86/62/221328662.db2.gz	BALUXHDVICJMCK-UHFFFAOYSA-N	1	0	351.403	2.079	50	5		FEBARO