smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCn1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c2ccccc21	ZINC000048311041	205665572	/nfs/dbraw/zinc/66/55/72/205665572.db2.gz	OATJLDAHEVDWLI-UHFFFAOYSA-N	1	0	395.463	2.953	50	5		GFBARO
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1	ZINC000247938645	570430885	/nfs/dbraw/zinc/43/08/85/570430885.db2.gz	WBKPWTDSOJYJKG-FMKPAKJESA-N	1	0	397.497	2.629	50	5		GFBARO
COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@H]23)c1	ZINC000104916268	570907972	/nfs/dbraw/zinc/90/79/72/570907972.db2.gz	YCHYMPBQOWVWNX-UYAOXDASSA-N	1	0	396.447	2.535	50	5		GFBARO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1	ZINC000006517649	204182327	/nfs/dbraw/zinc/18/23/27/204182327.db2.gz	RTYDFBGBURHMMC-UHFFFAOYSA-N	1	0	384.436	2.998	50	5		GFBARO
CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC	ZINC000046954357	205107478	/nfs/dbraw/zinc/10/74/78/205107478.db2.gz	RUXHUIFMSBJKNY-KBPBESRZSA-N	1	0	379.457	2.852	50	5		GFBARO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000053580462	205136796	/nfs/dbraw/zinc/13/67/96/205136796.db2.gz	ORGNRXAOFFNACF-ZBFHGGJFSA-N	1	0	379.420	2.850	50	5		GFBARO
COC(=O)[C@@H]1CCCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222310691	570723739	/nfs/dbraw/zinc/72/37/39/570723739.db2.gz	DGKMRTDYFOAZPY-NWANDNLSSA-N	1	0	393.440	2.642	50	5		GFBARO
C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005146327	204115764	/nfs/dbraw/zinc/11/57/64/204115764.db2.gz	YZJIOKSEJNBFGY-GOSISDBHSA-N	1	0	393.399	2.808	50	5		GFBARO
CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[NH+](C)C)cc1	ZINC000015129043	570758638	/nfs/dbraw/zinc/75/86/38/570758638.db2.gz	XLZNXTKCAIBSLC-KRWDZBQOSA-N	1	0	392.481	2.519	50	5		GFBARO
COc1ccc([N+]2=C3SCCCN3C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005670650	204146496	/nfs/dbraw/zinc/14/64/96/204146496.db2.gz	YGHHAXIEJVSYGE-IBGZPJMESA-N	1	0	386.453	2.774	50	5		GFBARO
C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H](C)O1	ZINC000078904373	205376838	/nfs/dbraw/zinc/37/68/38/205376838.db2.gz	SXOLHKQDJZQTMI-OKILXGFUSA-N	1	0	392.456	2.851	50	5		GFBARO
NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1	ZINC000058306552	206100600	/nfs/dbraw/zinc/10/06/00/206100600.db2.gz	SEQUKXIJEDBIDU-INIZCTEOSA-N	1	0	382.420	2.544	50	5		GFBARO
CNc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000032912013	206095671	/nfs/dbraw/zinc/09/56/71/206095671.db2.gz	WHWAEXKQGQHJLG-UHFFFAOYSA-N	1	0	397.479	2.579	50	5		GFBARO
CC[NH+](CC)[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Cc1ccccc1	ZINC000031653533	570819171	/nfs/dbraw/zinc/81/91/71/570819171.db2.gz	GUGFMETWUSRBJJ-KRWDZBQOSA-N	1	0	395.463	2.968	50	5		GFBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1	ZINC000007126470	570796982	/nfs/dbraw/zinc/79/69/82/570796982.db2.gz	PGCAWUQJZGDOHI-CYBMUJFWSA-N	1	0	387.197	2.803	50	5		GFBARO
Cc1nn(Cc2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000032824247	570838471	/nfs/dbraw/zinc/83/84/71/570838471.db2.gz	NNQXDCFPTVNBQQ-AWEZNQCLSA-N	1	0	385.468	2.671	50	5		GFBARO
Cc1nn(CC(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-]	ZINC000008745143	204286915	/nfs/dbraw/zinc/28/69/15/204286915.db2.gz	LDHBZIZMTGJWTP-AEFFLSMTSA-N	1	0	383.452	2.551	50	5		GFBARO
CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1OC	ZINC000229712760	206107629	/nfs/dbraw/zinc/10/76/29/206107629.db2.gz	RUXHUIFMSBJKNY-ZIAGYGMSSA-N	1	0	379.457	2.852	50	5		GFBARO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCN(c2ccccc2)CC1	ZINC000052530443	132439683	/nfs/dbraw/zinc/43/96/83/132439683.db2.gz	LNRQVBSXDUFRDM-SFHVURJKSA-N	1	0	382.420	2.507	50	5		GFBARO
CCOC(=O)c1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c1	ZINC000089984839	521428966	/nfs/dbraw/zinc/42/89/66/521428966.db2.gz	FJYAXMZNSOLDSC-UHFFFAOYSA-N	1	0	389.452	2.862	50	5		GFBARO
COC(=O)c1ccccc1-n1nnnc1[C@H](c1ccc(Cl)cc1)[N+](C)(C)C	ZINC000035622367	570404146	/nfs/dbraw/zinc/40/41/46/570404146.db2.gz	XFOZDEAIQGMXOF-KRWDZBQOSA-N	1	0	386.863	2.898	50	5		GFBARO
Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000032824250	570838475	/nfs/dbraw/zinc/83/84/75/570838475.db2.gz	NNQXDCFPTVNBQQ-CQSZACIVSA-N	1	0	385.468	2.671	50	5		GFBARO
CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1OC	ZINC000046954355	205107445	/nfs/dbraw/zinc/10/74/45/205107445.db2.gz	RUXHUIFMSBJKNY-UONOGXRCSA-N	1	0	379.457	2.852	50	5		GFBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2cc(Br)ccc2F)cc1	ZINC000072274784	205319049	/nfs/dbraw/zinc/31/90/49/205319049.db2.gz	NWNHWLYKWNFXNZ-JKSUJKDBSA-N	1	0	399.216	2.681	50	5		GFBARO
CCOC(=O)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1	ZINC000016599250	570452779	/nfs/dbraw/zinc/45/27/79/570452779.db2.gz	CMOVPQULPNTDQD-GOSISDBHSA-N	1	0	385.420	2.804	50	5		GFBARO
CNS(=O)(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1	ZINC000012755550	571006938	/nfs/dbraw/zinc/00/69/38/571006938.db2.gz	UPMYUBQFICAPDF-SFHVURJKSA-N	1	0	398.529	2.815	50	5		GFBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2cc(Br)cs2)cc1	ZINC000078814506	655005283	/nfs/dbraw/zinc/00/52/83/655005283.db2.gz	BGICBQWNRWUUER-UONOGXRCSA-N	1	0	387.255	2.603	50	5		GFBARO
CNS(=O)(=O)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1	ZINC000032911767	204928307	/nfs/dbraw/zinc/92/83/07/204928307.db2.gz	MLDVFVXISJPUQS-UHFFFAOYSA-N	1	0	390.465	2.842	50	5		GFBARO
CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1	ZINC000045805648	205097080	/nfs/dbraw/zinc/09/70/80/205097080.db2.gz	ZDCXNGONYBDTQE-UHFFFAOYSA-N	1	0	375.878	2.661	50	5		GFBARO
COC(=O)[C@@H]1CCCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000108395503	570988282	/nfs/dbraw/zinc/98/82/82/570988282.db2.gz	DGKMRTDYFOAZPY-BPLDGKMQSA-N	1	0	393.440	2.642	50	5		GFBARO
CCC(CC)[C@@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000012782324	206936827	/nfs/dbraw/zinc/93/68/27/206936827.db2.gz	IASCOGXKWGFMLP-GOSISDBHSA-N	1	0	398.529	2.815	50	5		GFBARO
CCCC[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	ZINC000252461180	209031803	/nfs/dbraw/zinc/03/18/03/209031803.db2.gz	LCYPYTJALPJIBU-DQOPXIGXSA-N	1	0	383.556	2.869	50	5		GFBARO
COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000010329584	206384932	/nfs/dbraw/zinc/38/49/32/206384932.db2.gz	DAXSYCZZZYXXBB-MRXNPFEDSA-N	1	0	391.399	2.784	50	5		GFBARO
COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)cc1	ZINC000012062767	206852377	/nfs/dbraw/zinc/85/23/77/206852377.db2.gz	FLTYSIIOVAJLDK-IBGZPJMESA-N	1	0	399.447	2.936	50	5		GFBARO
CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000032072419	207389611	/nfs/dbraw/zinc/38/96/11/207389611.db2.gz	BBWFONNYXVRRJX-CQSZACIVSA-N	1	0	384.502	2.522	50	5		GFBARO
CCc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349643	136177816	/nfs/dbraw/zinc/17/78/16/136177816.db2.gz	INNQJMLQHCBBMS-RTBURBONSA-N	1	0	397.479	2.650	50	5		GFBARO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2	ZINC000252441069	570956439	/nfs/dbraw/zinc/95/64/39/570956439.db2.gz	CWEYTWAYKGMFDH-RGZWJVDOSA-N	1	0	383.468	2.682	50	5		GFBARO
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1cccc(F)c1)N(C)C	ZINC000045797595	570996668	/nfs/dbraw/zinc/99/66/68/570996668.db2.gz	VJGRJXZKCQNUDY-MRXNPFEDSA-N	1	0	381.429	2.624	50	5		GFBARO
C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccsc1	ZINC000048285881	570231700	/nfs/dbraw/zinc/23/17/00/570231700.db2.gz	UFYIAARAKFFKAU-KRWDZBQOSA-N	1	0	385.449	2.875	50	5		GFBARO
O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccc2F)CC1	ZINC000048365023	570245455	/nfs/dbraw/zinc/24/54/55/570245455.db2.gz	BKICVKCXQJPYRC-UHFFFAOYSA-N	1	0	387.411	2.894	50	5		GFBARO
COc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000023105547	570904247	/nfs/dbraw/zinc/90/42/47/570904247.db2.gz	ZQURYAYXCBGMLU-CYBMUJFWSA-N	1	0	379.438	2.706	50	5		GFBARO
CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1	ZINC000012562428	208773581	/nfs/dbraw/zinc/77/35/81/208773581.db2.gz	XYNFJBANKQGTIL-KRWDZBQOSA-N	1	0	384.502	2.555	50	5		GFBARO
O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)NCC[NH+]3CCCC3)cc2)cc1	ZINC000000754606	570312960	/nfs/dbraw/zinc/31/29/60/570312960.db2.gz	FTFFGSFIZWGJIM-UHFFFAOYSA-N	1	0	375.450	2.636	50	5		GFBARO
CN(C(=O)CN1CCC[C@H]([NH2+]Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000083869426	570974721	/nfs/dbraw/zinc/97/47/21/570974721.db2.gz	QIGYTGZOKAQCKN-SFHVURJKSA-N	1	0	382.464	2.812	50	5		GFBARO
Cn1cc(C=Cc2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000328597683	206231380	/nfs/dbraw/zinc/23/13/80/206231380.db2.gz	IQLNSHFHIFVLML-VMPITWQZSA-N	1	0	392.419	2.649	50	5		GFBARO
CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000004998618	570391325	/nfs/dbraw/zinc/39/13/25/570391325.db2.gz	KAALVHHDRHLPQP-UHFFFAOYSA-N	1	0	384.436	2.754	50	5		GFBARO
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2	ZINC000252441068	570956422	/nfs/dbraw/zinc/95/64/22/570956422.db2.gz	CWEYTWAYKGMFDH-PDOGEWKWSA-N	1	0	383.468	2.682	50	5		GFBARO
COc1ccccc1OCCNc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000004131968	570961279	/nfs/dbraw/zinc/96/12/79/570961279.db2.gz	QTIJSNPVKDJKPJ-UHFFFAOYSA-N	1	0	386.452	2.846	50	5		GFBARO
Cc1cccc(C[NH+]2CCN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1	ZINC000012943013	208779908	/nfs/dbraw/zinc/77/99/08/208779908.db2.gz	MZWQOEXFWBDGTK-UHFFFAOYSA-N	1	0	382.420	2.586	50	5		GFBARO
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1	ZINC000247938649	570431025	/nfs/dbraw/zinc/43/10/25/570431025.db2.gz	WBKPWTDSOJYJKG-LZWOXQAQSA-N	1	0	397.497	2.629	50	5		GFBARO
CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1	ZINC000012562426	570867576	/nfs/dbraw/zinc/86/75/76/570867576.db2.gz	XYNFJBANKQGTIL-QGZVFWFLSA-N	1	0	384.502	2.555	50	5		GFBARO
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2cc(Br)ccc2F)cc1	ZINC000072274783	570460236	/nfs/dbraw/zinc/46/02/36/570460236.db2.gz	NWNHWLYKWNFXNZ-HOTGVXAUSA-N	1	0	399.216	2.681	50	5		GFBARO
Cc1c(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-]	ZINC000072306652	570522989	/nfs/dbraw/zinc/52/29/89/570522989.db2.gz	OBLCWXUWLYOYHA-UHFFFAOYSA-N	1	0	383.448	2.790	50	5		GFBARO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CC[NH+]1CCN(c2ccccc2)CC1	ZINC000052530442	570752743	/nfs/dbraw/zinc/75/27/43/570752743.db2.gz	LNRQVBSXDUFRDM-GOSISDBHSA-N	1	0	382.420	2.507	50	5		GFBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1	ZINC000002580955	209369422	/nfs/dbraw/zinc/36/94/22/209369422.db2.gz	PYNCWUSAPJIGMN-MRXNPFEDSA-N	1	0	375.450	2.710	50	5		GFBARO
C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000095398040	211239094	/nfs/dbraw/zinc/23/90/94/211239094.db2.gz	FEEUVWNWFXBOMZ-RDJZCZTQSA-N	1	0	379.420	2.632	50	5		GFBARO
O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000034873357	570804892	/nfs/dbraw/zinc/80/48/92/570804892.db2.gz	NNNGVSOFHUVBDI-LPHOPBHVSA-N	1	0	399.447	2.685	50	5		GFBARO
CCOCC[N@@H+]1CCN(c2c(C)cc([N+](=O)[O-])cc2C(=O)OC)C[C@@H]1CC	ZINC000170613114	570870652	/nfs/dbraw/zinc/87/06/52/570870652.db2.gz	ZUYLYRLLVZKNIR-HNNXBMFYSA-N	1	0	379.457	2.627	50	5		GFBARO
COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000010329579	209331193	/nfs/dbraw/zinc/33/11/93/209331193.db2.gz	DAXSYCZZZYXXBB-INIZCTEOSA-N	1	0	391.399	2.784	50	5		GFBARO
O=C(C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1[N+](=O)[O-]	ZINC000005946042	570462624	/nfs/dbraw/zinc/46/26/24/570462624.db2.gz	KVANTOGLWYOCFT-UHFFFAOYSA-N	1	0	393.787	2.797	50	5		GFBARO
CCC(CC)[C@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000012782330	571036094	/nfs/dbraw/zinc/03/60/94/571036094.db2.gz	IASCOGXKWGFMLP-SFHVURJKSA-N	1	0	398.529	2.815	50	5		GFBARO
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1	ZINC000007126479	570797222	/nfs/dbraw/zinc/79/72/22/570797222.db2.gz	PGCAWUQJZGDOHI-ZDUSSCGKSA-N	1	0	387.197	2.803	50	5		GFBARO
CC(C)[NH+](CCNC(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C	ZINC000096943529	222432642	/nfs/dbraw/zinc/43/26/42/222432642.db2.gz	SBRFJBKWFCSVHB-WAYWQWQTSA-N	1	0	377.441	2.710	50	5		GFBARO
O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c2ncccc12	ZINC000032760694	570796037	/nfs/dbraw/zinc/79/60/37/570796037.db2.gz	YFPHTJFQRXMXJC-UHFFFAOYSA-N	1	0	393.451	2.557	50	5		GFBARO
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000004688190	570834474	/nfs/dbraw/zinc/83/44/74/570834474.db2.gz	TWHMXCYMZLZCFZ-UHFFFAOYSA-N	1	0	384.480	2.703	50	5		GFBARO
COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@@H]23)cc1	ZINC000035870234	570468456	/nfs/dbraw/zinc/46/84/56/570468456.db2.gz	QOCSSQQCFQPIJQ-ICSRJNTNSA-N	1	0	396.447	2.535	50	5		GFBARO
Cn1c2ccc([N+](=O)[O-])cc2nc1CCN1CC[NH+](Cc2ccccc2)CC1	ZINC000002353230	209358773	/nfs/dbraw/zinc/35/87/73/209358773.db2.gz	JCPQEOACIHJDAF-UHFFFAOYSA-N	1	0	379.464	2.842	50	5		GFBARO
CN1CC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1	ZINC000030000039	209193588	/nfs/dbraw/zinc/19/35/88/209193588.db2.gz	NHZTVMUXIYJXBI-HXUWFJFHSA-N	1	0	382.464	2.703	50	5		GFBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(Br)cs2)cc1	ZINC000078814498	570509507	/nfs/dbraw/zinc/50/95/07/570509507.db2.gz	BGICBQWNRWUUER-ZIAGYGMSSA-N	1	0	387.255	2.603	50	5		GFBARO
O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000024367581	570720341	/nfs/dbraw/zinc/72/03/41/570720341.db2.gz	QDDCWDILBDYBEE-OAHLLOKOSA-N	1	0	376.438	2.851	50	5		GFBARO
CCOCC[N@@H+]1CCN(c2c(C)cc([N+](=O)[O-])cc2C(=O)OC)C[C@H]1CC	ZINC000170613113	570870590	/nfs/dbraw/zinc/87/05/90/570870590.db2.gz	ZUYLYRLLVZKNIR-OAHLLOKOSA-N	1	0	379.457	2.627	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c1ccccc1	ZINC000043148763	570953144	/nfs/dbraw/zinc/95/31/44/570953144.db2.gz	YWFXFONXDPNJSD-APWZRJJASA-N	1	0	386.452	2.936	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c1ccccc1	ZINC000043148759	570953183	/nfs/dbraw/zinc/95/31/83/570953183.db2.gz	YWFXFONXDPNJSD-VQIMIIECSA-N	1	0	386.452	2.936	50	5		GFBARO
CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	ZINC000047917615	570216177	/nfs/dbraw/zinc/21/61/77/570216177.db2.gz	NBKWLOZGFXRIHD-UHFFFAOYSA-N	1	0	388.472	2.616	50	5		GFBARO
C[N+]1(C[C@H](COCc2ccccc2)OC(=O)Cc2ccccc2)CCOCC1	ZINC000004843912	570327279	/nfs/dbraw/zinc/32/72/79/570327279.db2.gz	RWEJQWANTQCRPK-JOCHJYFZSA-N	1	0	384.496	2.835	50	5		GFBARO
C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000005150425	570426142	/nfs/dbraw/zinc/42/61/42/570426142.db2.gz	KPEFNQIGZOMSES-GOSISDBHSA-N	1	0	393.399	2.808	50	5		GFBARO
CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000032072416	570953904	/nfs/dbraw/zinc/95/39/04/570953904.db2.gz	BBWFONNYXVRRJX-AWEZNQCLSA-N	1	0	384.502	2.522	50	5		GFBARO
C[N+]1(C[C@@H](COCc2ccccc2)OC(=O)Cc2ccccc2)CCOCC1	ZINC000004843911	211549436	/nfs/dbraw/zinc/54/94/36/211549436.db2.gz	RWEJQWANTQCRPK-QFIPXVFZSA-N	1	0	384.496	2.835	50	5		GFBARO
C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1	ZINC000095982966	211291610	/nfs/dbraw/zinc/29/16/10/211291610.db2.gz	BHKHMZYIQOZOCR-ZDUSSCGKSA-N	1	0	395.891	2.880	50	5		GFBARO
C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005146340	570426829	/nfs/dbraw/zinc/42/68/29/570426829.db2.gz	YZJIOKSEJNBFGY-SFHVURJKSA-N	1	0	393.399	2.808	50	5		GFBARO
C[NH+](C)CCCNS(=O)(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1	ZINC000006510165	570462379	/nfs/dbraw/zinc/46/23/79/570462379.db2.gz	HYVZDOGMSWPIJR-UHFFFAOYSA-N	1	0	398.529	2.960	50	5		GFBARO
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC3CC[NH+](C)CC3)c12	ZINC000036618431	570759392	/nfs/dbraw/zinc/75/93/92/570759392.db2.gz	YJGUKPRHJLJAIA-UHFFFAOYSA-N	1	0	395.419	2.930	50	5		GFBARO
CCN(CC)S(=O)(=O)c1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1	ZINC000032935514	570947910	/nfs/dbraw/zinc/94/79/10/570947910.db2.gz	GXFSLFRDXLLJJH-OAHLLOKOSA-N	1	0	398.529	2.912	50	5		GFBARO
COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1	ZINC000008917115	221064500	/nfs/dbraw/zinc/06/45/00/221064500.db2.gz	RHWNNMYJXBRSGM-HXUWFJFHSA-N	1	0	399.447	2.936	50	5		GFBARO
C[NH+](C)[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1	ZINC000079001561	222300467	/nfs/dbraw/zinc/30/04/67/222300467.db2.gz	NQNCMSBPCAWBSB-HNNXBMFYSA-N	1	0	390.412	2.755	50	5		GFBARO
C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2	ZINC000252460246	525359409	/nfs/dbraw/zinc/35/94/09/525359409.db2.gz	CWEYTWAYKGMFDH-VUMVONDWSA-N	1	0	383.468	2.682	50	5		GFBARO
CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000007728746	551101375	/nfs/dbraw/zinc/10/13/75/551101375.db2.gz	HOPPRSASSFTMTG-UHFFFAOYSA-N	1	0	375.878	2.649	50	5		GFBARO
Cc1ccccc1C[NH+]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000048343167	570240021	/nfs/dbraw/zinc/24/00/21/570240021.db2.gz	JHZOTPKPDIMTJM-UHFFFAOYSA-N	1	0	392.463	2.937	50	5		GFBARO
CC(C)OC[C@@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160382	570555482	/nfs/dbraw/zinc/55/54/82/570555482.db2.gz	HGGHGJYFBFHXER-HOTGVXAUSA-N	1	0	378.429	2.717	50	5		GFBARO
CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000004688555	570834544	/nfs/dbraw/zinc/83/45/44/570834544.db2.gz	KKRYHYWWKIWRDP-UHFFFAOYSA-N	1	0	384.436	2.754	50	5		GFBARO
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000004804048	570995638	/nfs/dbraw/zinc/99/56/38/570995638.db2.gz	LMKWSCZNBDTNAU-UHFFFAOYSA-N	1	0	385.420	2.792	50	5		GFBARO
O=[N+]([O-])c1ccc(-c2nc(=S)c3c(n2CCN2CC[NH2+]CC2)CCCC3)cc1	ZINC000000958920	212200480	/nfs/dbraw/zinc/20/04/80/212200480.db2.gz	PZFLEKHCBSECAG-UHFFFAOYSA-N	1	0	399.520	2.972	50	5		GFBARO
O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2CCN2CC[NH2+]CC2)CCCC3)c1	ZINC000000938411	212196745	/nfs/dbraw/zinc/19/67/45/212196745.db2.gz	BUULXBVPRXJLDR-UHFFFAOYSA-N	1	0	399.520	2.972	50	5		GFBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000012653206	221216558	/nfs/dbraw/zinc/21/65/58/221216558.db2.gz	QTUOGDWWOJNWCL-DOTOQJQBSA-N	1	0	387.461	2.900	50	5		GFBARO
CN(C(=O)CN1CCC[N@H+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000012771176	221229586	/nfs/dbraw/zinc/22/95/86/221229586.db2.gz	KTIKAWASBLYUCL-UHFFFAOYSA-N	1	0	382.464	2.766	50	5		GFBARO
C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H](C)O1	ZINC000078904379	222298685	/nfs/dbraw/zinc/29/86/85/222298685.db2.gz	SXOLHKQDJZQTMI-ZIAGYGMSSA-N	1	0	392.456	2.851	50	5		GFBARO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C2(C)OCCO2)CC1	ZINC000079074983	222303987	/nfs/dbraw/zinc/30/39/87/222303987.db2.gz	MAYGYDHJBICALZ-UHFFFAOYSA-N	1	0	377.441	2.707	50	5		GFBARO
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1	ZINC000048314115	570236905	/nfs/dbraw/zinc/23/69/05/570236905.db2.gz	WBKPWTDSOJYJKG-IJEWVQPXSA-N	1	0	397.497	2.629	50	5		GFBARO
CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(C)C	ZINC000024710393	570280658	/nfs/dbraw/zinc/28/06/58/570280658.db2.gz	HQLAELQSTQDPQG-IBGZPJMESA-N	1	0	392.500	2.528	50	5		GFBARO
COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@@H]23)c1	ZINC000035870905	570468362	/nfs/dbraw/zinc/46/83/62/570468362.db2.gz	YCHYMPBQOWVWNX-ICSRJNTNSA-N	1	0	396.447	2.535	50	5		GFBARO
CC(C)OC[C@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160393	570555431	/nfs/dbraw/zinc/55/54/31/570555431.db2.gz	HGGHGJYFBFHXER-HZPDHXFCSA-N	1	0	378.429	2.717	50	5		GFBARO
COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@H]23)cc1	ZINC000104915551	570907995	/nfs/dbraw/zinc/90/79/95/570907995.db2.gz	QOCSSQQCFQPIJQ-UYAOXDASSA-N	1	0	396.447	2.535	50	5		GFBARO
CCCC[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	ZINC000252461185	570960506	/nfs/dbraw/zinc/96/05/06/570960506.db2.gz	LCYPYTJALPJIBU-VQBRPFBUSA-N	1	0	383.556	2.869	50	5		GFBARO
CCc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349641	136177808	/nfs/dbraw/zinc/17/78/08/136177808.db2.gz	INNQJMLQHCBBMS-MOPGFXCFSA-N	1	0	397.479	2.650	50	5		GFBARO
O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000104806653	570906015	/nfs/dbraw/zinc/90/60/15/570906015.db2.gz	NNNGVSOFHUVBDI-QFBILLFUSA-N	1	0	399.447	2.685	50	5		GFBARO
COc1ccc(OCCNc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])cc1	ZINC000004131974	570961363	/nfs/dbraw/zinc/96/13/63/570961363.db2.gz	SCKPLTCLZBGLNT-UHFFFAOYSA-N	1	0	386.452	2.846	50	5		GFBARO
C[N@@H+]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1	ZINC000032935378	212078448	/nfs/dbraw/zinc/07/84/48/212078448.db2.gz	XOXRVKVNFYJLCH-LJQANCHMSA-N	1	0	378.436	2.800	50	5		GFBARO
CCc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349642	136177877	/nfs/dbraw/zinc/17/78/77/136177877.db2.gz	INNQJMLQHCBBMS-OALUTQOASA-N	1	0	397.479	2.650	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c1ccccc1	ZINC000043148757	570953224	/nfs/dbraw/zinc/95/32/24/570953224.db2.gz	YWFXFONXDPNJSD-QFBILLFUSA-N	1	0	386.452	2.936	50	5		GFBARO
CN(C(=O)CN1CCC[C@@H]([NH2+]Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000083869427	570974743	/nfs/dbraw/zinc/97/47/43/570974743.db2.gz	QIGYTGZOKAQCKN-GOSISDBHSA-N	1	0	382.464	2.812	50	5		GFBARO
O=C(Nc1ccccc1)[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000044756353	570976489	/nfs/dbraw/zinc/97/64/89/570976489.db2.gz	MKNKNIFPHHXNBA-AWEZNQCLSA-N	1	0	396.403	2.811	50	5		GFBARO
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)[NH+](C)C	ZINC000012634076	221216539	/nfs/dbraw/zinc/21/65/39/221216539.db2.gz	LSNGSKVGMMNEGT-INIZCTEOSA-N	1	0	398.529	2.768	50	5		GFBARO
O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000012928836	221248174	/nfs/dbraw/zinc/24/81/74/221248174.db2.gz	GRCAIXYBQXNJCX-UHFFFAOYSA-N	1	0	386.427	2.880	50	5		GFBARO
C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000023994634	221606097	/nfs/dbraw/zinc/60/60/97/221606097.db2.gz	PCQVNPOQMLPYJZ-MRXNPFEDSA-N	1	0	390.484	2.547	50	5		GFBARO
CC[NH+](CC)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Cc1ccccc1	ZINC000031653530	221712069	/nfs/dbraw/zinc/71/20/69/221712069.db2.gz	GUGFMETWUSRBJJ-QGZVFWFLSA-N	1	0	395.463	2.968	50	5		GFBARO
C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1	ZINC000095982965	222367320	/nfs/dbraw/zinc/36/73/20/222367320.db2.gz	BHKHMZYIQOZOCR-CYBMUJFWSA-N	1	0	395.891	2.880	50	5		GFBARO
COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@H]23)cc1	ZINC000104915555	570908003	/nfs/dbraw/zinc/90/80/03/570908003.db2.gz	QOCSSQQCFQPIJQ-AZUAARDMSA-N	1	0	396.447	2.535	50	5		GFBARO
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2	ZINC000252460247	570960204	/nfs/dbraw/zinc/96/02/04/570960204.db2.gz	CWEYTWAYKGMFDH-YIGJPRQDSA-N	1	0	383.468	2.682	50	5		GFBARO
COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000108395499	570988307	/nfs/dbraw/zinc/98/83/07/570988307.db2.gz	DGKMRTDYFOAZPY-YUELXQCFSA-N	1	0	393.440	2.642	50	5		GFBARO
COC(=O)c1ccc2c(c1)nc(CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)[nH]c2=O	ZINC000016685385	221368469	/nfs/dbraw/zinc/36/84/69/221368469.db2.gz	PBIXFSKASANXLA-LBPRGKRZSA-N	1	0	396.403	2.811	50	5		GFBARO
Cc1c(Cl)cc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-]	ZINC000048311626	570233502	/nfs/dbraw/zinc/23/35/02/570233502.db2.gz	LDBRRQUAHIQVFQ-UHFFFAOYSA-N	1	0	387.889	2.806	50	5		GFBARO
C[C@@H](CN1CC[NH+](C)CC1)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000112559571	570254096	/nfs/dbraw/zinc/25/40/96/570254096.db2.gz	JLCQVWXVBYMVOP-JTQLQIEISA-N	1	0	391.350	2.570	50	5		GFBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1	ZINC000005164942	570476285	/nfs/dbraw/zinc/47/62/85/570476285.db2.gz	KNFNEJODTLGCFZ-KBPBESRZSA-N	1	0	379.509	2.593	50	5		GFBARO
COc1cccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@@H]23)c1	ZINC000169677923	570599632	/nfs/dbraw/zinc/59/96/32/570599632.db2.gz	YCHYMPBQOWVWNX-QUCCMNQESA-N	1	0	396.447	2.535	50	5		GFBARO
CN1CC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1	ZINC000036389764	570671172	/nfs/dbraw/zinc/67/11/72/570671172.db2.gz	NHZTVMUXIYJXBI-FQEVSTJZSA-N	1	0	382.464	2.703	50	5		GFBARO
C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccccc2)C1	ZINC000034868623	570803913	/nfs/dbraw/zinc/80/39/13/570803913.db2.gz	FXBHHQGOGBADDW-IBGZPJMESA-N	1	0	385.424	2.904	50	5		GFBARO
CC[NH+](CC)[C@@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])CC(C)C	ZINC000012564435	570869773	/nfs/dbraw/zinc/86/97/73/570869773.db2.gz	KHECSVVSKGTWDQ-CQSZACIVSA-N	1	0	386.518	2.671	50	5		GFBARO
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1cccc(F)c1)N(C)C	ZINC000045797594	570996555	/nfs/dbraw/zinc/99/65/55/570996555.db2.gz	VJGRJXZKCQNUDY-INIZCTEOSA-N	1	0	381.429	2.624	50	5		GFBARO
O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000017081717	221380041	/nfs/dbraw/zinc/38/00/41/221380041.db2.gz	LMNQGTIZZKCHRA-JRQWYPPZSA-N	1	0	399.495	2.637	50	5		GFBARO
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000097165624	222441433	/nfs/dbraw/zinc/44/14/33/222441433.db2.gz	AOUPXUSYNJJTFV-FXFTYNISSA-N	1	0	381.498	2.901	50	5		GFBARO
CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000015164231	570786622	/nfs/dbraw/zinc/78/66/22/570786622.db2.gz	KODCWVGKGBTVGM-CYBMUJFWSA-N	1	0	384.502	2.568	50	5		GFBARO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)c4ccccc4c3=O)c2)CC1	ZINC000004688315	570828541	/nfs/dbraw/zinc/82/85/41/570828541.db2.gz	XXXJXKSGGFFSNI-UHFFFAOYSA-N	1	0	393.447	2.744	50	5		GFBARO
CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1	ZINC000015129213	221333567	/nfs/dbraw/zinc/33/35/67/221333567.db2.gz	AXSILRIDNFZZET-QGZVFWFLSA-N	1	0	392.481	2.737	50	5		GFBARO
COC(=O)c1ccc2c(c1)nc(CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1)[nH]c2=O	ZINC000016685387	221368018	/nfs/dbraw/zinc/36/80/18/221368018.db2.gz	PBIXFSKASANXLA-GFCCVEGCSA-N	1	0	396.403	2.811	50	5		GFBARO
O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1	ZINC000017081718	221379964	/nfs/dbraw/zinc/37/99/64/221379964.db2.gz	LMNQGTIZZKCHRA-HQHQJUQOSA-N	1	0	399.495	2.637	50	5		GFBARO
CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000060392199	222059352	/nfs/dbraw/zinc/05/93/52/222059352.db2.gz	IQBCWFGAPLMUSG-UHFFFAOYSA-N	1	0	395.463	2.889	50	5		GFBARO
C[NH+](C)CC1(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCC1	ZINC000225577152	553059385	/nfs/dbraw/zinc/05/93/85/553059385.db2.gz	QUWMOADWTMRUEL-UHFFFAOYSA-N	1	0	381.376	2.785	50	5		GFBARO
CC(C)[NH+](CCNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C	ZINC000022837560	204788900	/nfs/dbraw/zinc/78/89/00/204788900.db2.gz	SBRFJBKWFCSVHB-AATRIKPKSA-N	1	0	377.441	2.710	50	5		GFBARO
CC(C)NC(=O)c1ccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000023619428	570328493	/nfs/dbraw/zinc/32/84/93/570328493.db2.gz	XIRJZZKKXXKJII-GJZGRUSLSA-N	1	0	378.473	2.644	50	5		GFBARO
O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1	ZINC000044756351	570976367	/nfs/dbraw/zinc/97/63/67/570976367.db2.gz	MKNKNIFPHHXNBA-CQSZACIVSA-N	1	0	396.403	2.811	50	5		GFBARO
COc1cccc(OCCNc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])c1	ZINC000004560931	204053495	/nfs/dbraw/zinc/05/34/95/204053495.db2.gz	FGVSCDYMZJJBRE-UHFFFAOYSA-N	1	0	386.452	2.846	50	5		GFBARO
CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(C)C	ZINC000024710394	204823882	/nfs/dbraw/zinc/82/38/82/204823882.db2.gz	HQLAELQSTQDPQG-LJQANCHMSA-N	1	0	392.500	2.528	50	5		GFBARO
C[NH+](C)[C@H]1CCc2ccccc2[C@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000095398042	205456115	/nfs/dbraw/zinc/45/61/15/205456115.db2.gz	FEEUVWNWFXBOMZ-DOTOQJQBSA-N	1	0	379.420	2.632	50	5		GFBARO
Cc1nccn1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000089735728	136175744	/nfs/dbraw/zinc/17/57/44/136175744.db2.gz	UWBIJAMRRWCOEH-UHFFFAOYSA-N	1	0	383.374	2.941	50	5		GFBARO
O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000048366895	205121780	/nfs/dbraw/zinc/12/17/80/205121780.db2.gz	DCWQZVIGSXNLMU-UHFFFAOYSA-N	1	0	395.463	2.959	50	5		GFBARO
CCC(CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000012562460	205876411	/nfs/dbraw/zinc/87/64/11/205876411.db2.gz	UTYNEPVXORJMEW-KRWDZBQOSA-N	1	0	384.502	2.555	50	5		GFBARO
Cn1nc(-c2ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c2)c2ccccc2c1=O	ZINC000004164480	204030096	/nfs/dbraw/zinc/03/00/96/204030096.db2.gz	OFTZXYDOJDKCAC-UHFFFAOYSA-N	1	0	381.436	2.872	50	5		GFBARO
CCCC[N@H+](C)CC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000048263188	570224848	/nfs/dbraw/zinc/22/48/48/570224848.db2.gz	XSNAQOUKEJOMAA-UHFFFAOYSA-N	1	0	383.514	2.947	50	5		GFBARO
CNS(=O)(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1	ZINC000012755554	571006847	/nfs/dbraw/zinc/00/68/47/571006847.db2.gz	UPMYUBQFICAPDF-GOSISDBHSA-N	1	0	398.529	2.815	50	5		GFBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1	ZINC000005164943	204117112	/nfs/dbraw/zinc/11/71/12/204117112.db2.gz	KNFNEJODTLGCFZ-ZIAGYGMSSA-N	1	0	379.509	2.593	50	5		GFBARO
CC(C)OC[C@H](O)C[NH2+][C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160389	205008238	/nfs/dbraw/zinc/00/82/38/205008238.db2.gz	HGGHGJYFBFHXER-CVEARBPZSA-N	1	0	378.429	2.717	50	5		GFBARO
CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1	ZINC000055543418	205149443	/nfs/dbraw/zinc/14/94/43/205149443.db2.gz	IAXSXQABTXUAGF-CQSZACIVSA-N	1	0	379.457	2.692	50	5		GFBARO
C[NH+](C)[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1	ZINC000079001566	205377662	/nfs/dbraw/zinc/37/76/62/205377662.db2.gz	NQNCMSBPCAWBSB-OAHLLOKOSA-N	1	0	390.412	2.755	50	5		GFBARO
COc1cccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@H]23)c1	ZINC000104916270	570908043	/nfs/dbraw/zinc/90/80/43/570908043.db2.gz	YCHYMPBQOWVWNX-AZUAARDMSA-N	1	0	396.447	2.535	50	5		GFBARO
CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000170633095	570926995	/nfs/dbraw/zinc/92/69/95/570926995.db2.gz	ARHQSWMMOAPSPZ-CYBMUJFWSA-N	1	0	381.860	2.821	50	5		GFBARO
CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000008707095	204284261	/nfs/dbraw/zinc/28/42/61/204284261.db2.gz	MUEOLMKHKRQGDB-IBGZPJMESA-N	1	0	386.452	2.999	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C[NH+](C)C)[C@@H](O)c1ccccc1	ZINC000043148761	205082486	/nfs/dbraw/zinc/08/24/86/205082486.db2.gz	YWFXFONXDPNJSD-LPHOPBHVSA-N	1	0	386.452	2.936	50	5		GFBARO
NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1	ZINC000058306554	206100788	/nfs/dbraw/zinc/10/07/88/206100788.db2.gz	SEQUKXIJEDBIDU-MRXNPFEDSA-N	1	0	382.420	2.544	50	5		GFBARO
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1	ZINC000253419211	206147928	/nfs/dbraw/zinc/14/79/28/206147928.db2.gz	AYCXXBRRLNQTDU-HNNXBMFYSA-N	1	0	383.452	2.934	50	5		GFBARO
C[N@@H+]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](c2ccccc2)C1	ZINC000036390126	205016102	/nfs/dbraw/zinc/01/61/02/205016102.db2.gz	XOXRVKVNFYJLCH-IBGZPJMESA-N	1	0	378.436	2.800	50	5		GFBARO
CCN(CC)S(=O)(=O)c1ccc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1	ZINC000057838445	528221237	/nfs/dbraw/zinc/22/12/37/528221237.db2.gz	RPNVWPSZTXIEOT-UHFFFAOYSA-N	1	0	398.529	2.592	50	5		GFBARO
CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000048310192	570232700	/nfs/dbraw/zinc/23/27/00/570232700.db2.gz	RTEHLUBMBUNIPU-UHFFFAOYSA-N	1	0	375.878	2.743	50	5		GFBARO
C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000023994636	570341790	/nfs/dbraw/zinc/34/17/90/570341790.db2.gz	PCQVNPOQMLPYJZ-INIZCTEOSA-N	1	0	390.484	2.547	50	5		GFBARO
COC(=O)c1ccccc1-n1nnnc1[C@@H](c1ccc(Cl)cc1)[N+](C)(C)C	ZINC000035622369	570404216	/nfs/dbraw/zinc/40/42/16/570404216.db2.gz	XFOZDEAIQGMXOF-QGZVFWFLSA-N	1	0	386.863	2.898	50	5		GFBARO
Nc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ncc1[N+](=O)[O-]	ZINC000071288798	205280855	/nfs/dbraw/zinc/28/08/55/205280855.db2.gz	PEDUQBGKLDEAJR-UHFFFAOYSA-N	1	0	390.447	2.879	50	5		GFBARO
CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[NH+](C)C)cc1	ZINC000015129042	205898836	/nfs/dbraw/zinc/89/88/36/205898836.db2.gz	XLZNXTKCAIBSLC-QGZVFWFLSA-N	1	0	392.481	2.519	50	5		GFBARO
CCN(CC)S(=O)(=O)c1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1	ZINC000032935513	206096834	/nfs/dbraw/zinc/09/68/34/206096834.db2.gz	GXFSLFRDXLLJJH-HNNXBMFYSA-N	1	0	398.529	2.912	50	5		GFBARO
CC(C)NC(=O)c1ccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000023619431	570328490	/nfs/dbraw/zinc/32/84/90/570328490.db2.gz	XIRJZZKKXXKJII-HUUCEWRRSA-N	1	0	378.473	2.644	50	5		GFBARO
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2cc(Br)cs2)cc1	ZINC000078814491	570509597	/nfs/dbraw/zinc/50/95/97/570509597.db2.gz	BGICBQWNRWUUER-KGLIPLIRSA-N	1	0	387.255	2.603	50	5		GFBARO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000064915954	570589962	/nfs/dbraw/zinc/58/99/62/570589962.db2.gz	ORGNRXAOFFNACF-GOEBONIOSA-N	1	0	379.420	2.850	50	5		GFBARO
COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222310625	570723762	/nfs/dbraw/zinc/72/37/62/570723762.db2.gz	DGKMRTDYFOAZPY-CFVMTHIKSA-N	1	0	393.440	2.642	50	5		GFBARO
Cc1nn(CC(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-]	ZINC000012689308	570949249	/nfs/dbraw/zinc/94/92/49/570949249.db2.gz	LDHBZIZMTGJWTP-FUHWJXTLSA-N	1	0	383.452	2.551	50	5		GFBARO
COc1ccc([N+]2=C3SCCCN3C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005670651	206623780	/nfs/dbraw/zinc/62/37/80/206623780.db2.gz	YGHHAXIEJVSYGE-LJQANCHMSA-N	1	0	386.453	2.774	50	5		GFBARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	ZINC000006391789	206649089	/nfs/dbraw/zinc/64/90/89/206649089.db2.gz	KGGXZRRIHHVESW-AWEZNQCLSA-N	1	0	399.455	2.683	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O	ZINC000020101028	207178047	/nfs/dbraw/zinc/17/80/47/207178047.db2.gz	LFISGFFVCYMKIS-SFHVURJKSA-N	1	0	392.415	2.849	50	5		GFBARO
C[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000040123029	207342069	/nfs/dbraw/zinc/34/20/69/207342069.db2.gz	HNWMOQVZUPRFNB-UHFFFAOYSA-N	1	0	383.452	2.664	50	5		GFBARO
Cn1ccnc1C(=O)c1ccc(NCCCNc2cc[nH+]cc2)c([N+](=O)[O-])c1	ZINC000072310938	570537271	/nfs/dbraw/zinc/53/72/71/570537271.db2.gz	JBZSJOHKGWEVMX-UHFFFAOYSA-N	1	0	380.408	2.868	50	5		GFBARO
CC(=O)Nc1ccc(NC(=O)C[NH2+]CCCNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005631922	570676918	/nfs/dbraw/zinc/67/69/18/570676918.db2.gz	DIGBNYMYPFSREU-UHFFFAOYSA-N	1	0	385.424	2.584	50	5		GFBARO
CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000047284896	570951186	/nfs/dbraw/zinc/95/11/86/570951186.db2.gz	SMVKYDNPYCTXQZ-UHFFFAOYSA-N	1	0	382.464	2.662	50	5		GFBARO
CC(C)NS(=O)(=O)c1ccc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1	ZINC000040153872	207356337	/nfs/dbraw/zinc/35/63/37/207356337.db2.gz	XEBUMCTULACQLR-HNNXBMFYSA-N	1	0	398.529	2.815	50	5		GFBARO
C[N@H+]1CC=C(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000089374932	208104323	/nfs/dbraw/zinc/10/43/23/208104323.db2.gz	VOEYGDBXJUDGMR-UHFFFAOYSA-N	1	0	375.472	2.923	50	5		GFBARO
C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl	ZINC000225832543	553060053	/nfs/dbraw/zinc/06/00/53/553060053.db2.gz	ADDKKRPVONUHDO-UHFFFAOYSA-N	1	0	384.285	2.768	50	5		GFBARO
CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000012551890	570855252	/nfs/dbraw/zinc/85/52/52/570855252.db2.gz	HBHGITQWGDLCLS-SFHVURJKSA-N	1	0	392.481	2.737	50	5		GFBARO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000010331998	206383963	/nfs/dbraw/zinc/38/39/63/206383963.db2.gz	ZFVAQLYAPRWWNJ-SFHVURJKSA-N	1	0	384.436	2.569	50	5		GFBARO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1NCc1ccc(Cl)cc1	ZINC000019419177	207121511	/nfs/dbraw/zinc/12/15/11/207121511.db2.gz	JTDLMKJLMBLKIE-UHFFFAOYSA-N	1	0	390.871	2.975	50	5		GFBARO
CCCC[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	ZINC000252461184	209032961	/nfs/dbraw/zinc/03/29/61/209032961.db2.gz	LCYPYTJALPJIBU-QCKOHSDMSA-N	1	0	383.556	2.869	50	5		GFBARO
O=[N+]([O-])c1cccc(-c2ncn(CN3CC[NH+](Cc4ccccc4)CC3)n2)c1	ZINC000048340422	570239211	/nfs/dbraw/zinc/23/92/11/570239211.db2.gz	PKYPCBRYIMKISG-UHFFFAOYSA-N	1	0	378.436	2.629	50	5		GFBARO
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000001175372	570787655	/nfs/dbraw/zinc/78/76/55/570787655.db2.gz	FDQSRUXKHKOTHX-UHFFFAOYSA-N	1	0	384.436	2.754	50	5		GFBARO
O=C1Cn2c3ccc([N+](=O)[O-])cc3nc2CN1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000032124033	570963264	/nfs/dbraw/zinc/96/32/64/570963264.db2.gz	WUALZOSXAZASCL-WMLDXEAASA-N	1	0	383.452	2.551	50	5		GFBARO
CC(C)[C@H](CNC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)[NH+](C)C	ZINC000026304624	207311212	/nfs/dbraw/zinc/31/12/12/207311212.db2.gz	JGLLEMIBUDLTED-KRWDZBQOSA-N	1	0	397.907	2.666	50	5		GFBARO
C[C@H](CN1CC[NH+](C)CC1)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000112559573	570254262	/nfs/dbraw/zinc/25/42/62/570254262.db2.gz	JLCQVWXVBYMVOP-SNVBAGLBSA-N	1	0	391.350	2.570	50	5		GFBARO
COc1ccc(CCNc2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])cc1OC	ZINC000004344179	570675791	/nfs/dbraw/zinc/67/57/91/570675791.db2.gz	FNPQQLNNZBRUCA-UHFFFAOYSA-N	1	0	386.452	2.676	50	5		GFBARO
C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3	ZINC000000629244	206309355	/nfs/dbraw/zinc/30/93/55/206309355.db2.gz	WDIQXKYUSINZME-RBUKOAKNSA-N	1	0	382.392	2.729	50	5	in-vitro	GFBARO
CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000097165622	208339594	/nfs/dbraw/zinc/33/95/94/208339594.db2.gz	AOUPXUSYNJJTFV-ZDXGUKGBSA-N	1	0	381.498	2.901	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1	ZINC000026832969	570438927	/nfs/dbraw/zinc/43/89/27/570438927.db2.gz	XDMHJKSAISWLIU-UHFFFAOYSA-N	1	0	389.477	2.630	50	5		GFBARO
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CC1CC[NH2+]CC1	ZINC000004499627	570809106	/nfs/dbraw/zinc/80/91/06/570809106.db2.gz	LFINSCQDVDGKLH-UHFFFAOYSA-N	1	0	381.388	2.983	50	5		GFBARO
CC[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000040089833	207338160	/nfs/dbraw/zinc/33/81/60/207338160.db2.gz	RHIUEMVYINJURK-UHFFFAOYSA-N	1	0	396.491	2.591	50	5		GFBARO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000053580461	570326437	/nfs/dbraw/zinc/32/64/37/570326437.db2.gz	ORGNRXAOFFNACF-HOCLYGCPSA-N	1	0	379.420	2.850	50	5		GFBARO
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2cc(Br)ccc2F)cc1	ZINC000072274781	570460009	/nfs/dbraw/zinc/46/00/09/570460009.db2.gz	NWNHWLYKWNFXNZ-CVEARBPZSA-N	1	0	399.216	2.681	50	5		GFBARO
Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1	ZINC000012993860	570738948	/nfs/dbraw/zinc/73/89/48/570738948.db2.gz	SCNBCAIHUFRPSY-UHFFFAOYSA-N	1	0	382.464	2.702	50	5		GFBARO
COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](C)C[C@@H]23)cc1	ZINC000169677320	570597760	/nfs/dbraw/zinc/59/77/60/570597760.db2.gz	QOCSSQQCFQPIJQ-QUCCMNQESA-N	1	0	396.447	2.535	50	5		GFBARO
C[C@H]1C[NH+](CCc2cccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)c2)C[C@@H]1C	ZINC000095464928	211245701	/nfs/dbraw/zinc/24/57/01/211245701.db2.gz	DTNPTZNBYUEFEK-HOTGVXAUSA-N	1	0	385.468	2.950	50	5		GFBARO
COc1ccc([C@H]2C[N@H+](C)CC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000248125731	570441795	/nfs/dbraw/zinc/44/17/95/570441795.db2.gz	LRRXLTRGKYNAEH-MSOLQXFVSA-N	1	0	399.447	2.830	50	5		GFBARO
CC[NH+](CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000012551893	209972117	/nfs/dbraw/zinc/97/21/17/209972117.db2.gz	HBHGITQWGDLCLS-GOSISDBHSA-N	1	0	392.481	2.737	50	5		GFBARO
CC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000015164233	570786437	/nfs/dbraw/zinc/78/64/37/570786437.db2.gz	KODCWVGKGBTVGM-ZDUSSCGKSA-N	1	0	384.502	2.568	50	5		GFBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001310614	570957302	/nfs/dbraw/zinc/95/73/02/570957302.db2.gz	HOZQYTNOQZBRCS-PKOBYXMFSA-N	1	0	387.461	2.900	50	5		GFBARO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000229766817	209190977	/nfs/dbraw/zinc/19/09/77/209190977.db2.gz	ORGNRXAOFFNACF-GDBMZVCRSA-N	1	0	379.420	2.850	50	5		GFBARO
CC[NH+](CC)Cc1ccccc1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O	ZINC000089969010	211187990	/nfs/dbraw/zinc/18/79/90/211187990.db2.gz	OLYQKRXDKYDFLS-UHFFFAOYSA-N	1	0	392.481	2.696	50	5		GFBARO
CC(C)[C@@H](CNC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)[NH+](C)C	ZINC000026304620	570324154	/nfs/dbraw/zinc/32/41/54/570324154.db2.gz	JGLLEMIBUDLTED-QGZVFWFLSA-N	1	0	397.907	2.666	50	5		GFBARO
CCCC[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	ZINC000252461183	570960467	/nfs/dbraw/zinc/96/04/67/570960467.db2.gz	LCYPYTJALPJIBU-MVWCIASSSA-N	1	0	383.556	2.869	50	5		GFBARO
CCc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349644	136177832	/nfs/dbraw/zinc/17/78/32/136177832.db2.gz	INNQJMLQHCBBMS-RBUKOAKNSA-N	1	0	397.479	2.650	50	5		GFBARO
C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccsc1	ZINC000048285883	570231723	/nfs/dbraw/zinc/23/17/23/570231723.db2.gz	UFYIAARAKFFKAU-QGZVFWFLSA-N	1	0	385.449	2.875	50	5		GFBARO
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2cc(Br)cs2)cc1	ZINC000078814501	655005261	/nfs/dbraw/zinc/00/52/61/655005261.db2.gz	BGICBQWNRWUUER-KBPBESRZSA-N	1	0	387.255	2.603	50	5		GFBARO
CC1(C)CC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC(C)(C)[NH2+]1	ZINC000007616227	551100942	/nfs/dbraw/zinc/10/09/42/551100942.db2.gz	YOIVXYLJQJKSPP-UHFFFAOYSA-N	1	0	375.878	2.836	50	5		GFBARO
O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000024242813	570482413	/nfs/dbraw/zinc/48/24/13/570482413.db2.gz	NNNGVSOFHUVBDI-VQIMIIECSA-N	1	0	399.447	2.685	50	5		GFBARO
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC([NH+]2CC=CC2)CC1	ZINC000101448732	570823516	/nfs/dbraw/zinc/82/35/16/570823516.db2.gz	QRDPRVGIPGAGIW-UHFFFAOYSA-N	1	0	384.480	2.674	50	5		GFBARO
C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H](C)O1	ZINC000078904375	211150394	/nfs/dbraw/zinc/15/03/94/211150394.db2.gz	SXOLHKQDJZQTMI-KBPBESRZSA-N	1	0	392.456	2.851	50	5		GFBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001764259	570422184	/nfs/dbraw/zinc/42/21/84/570422184.db2.gz	QTUOGDWWOJNWCL-RDJZCZTQSA-N	1	0	387.461	2.900	50	5		GFBARO
COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000023105549	570904389	/nfs/dbraw/zinc/90/43/89/570904389.db2.gz	ZQURYAYXCBGMLU-ZDUSSCGKSA-N	1	0	379.438	2.706	50	5		GFBARO
COc1ccc([C@H]2C[N@H+](C)CC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000199271943	570968098	/nfs/dbraw/zinc/96/80/98/570968098.db2.gz	LRRXLTRGKYNAEH-QZTJIDSGSA-N	1	0	399.447	2.830	50	5		GFBARO
C[N@@H+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	ZINC000031784642	212043707	/nfs/dbraw/zinc/04/37/07/212043707.db2.gz	FXBHHQGOGBADDW-LJQANCHMSA-N	1	0	385.424	2.904	50	5		GFBARO
CNS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1	ZINC000015168092	570786551	/nfs/dbraw/zinc/78/65/51/570786551.db2.gz	QYDJJEWHNZLAIP-UHFFFAOYSA-N	1	0	376.438	2.847	50	5		GFBARO
O=C(C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc([N+](=O)[O-])cc1	ZINC000005944897	570807338	/nfs/dbraw/zinc/80/73/38/570807338.db2.gz	ZQWDOPNWQONDMA-UHFFFAOYSA-N	1	0	393.787	2.797	50	5		GFBARO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])[NH+](C)C)cc1	ZINC000010331994	212247794	/nfs/dbraw/zinc/24/77/94/212247794.db2.gz	ZFVAQLYAPRWWNJ-GOSISDBHSA-N	1	0	384.436	2.569	50	5		GFBARO
CC[NH+](CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)n1	ZINC000005164941	220837730	/nfs/dbraw/zinc/83/77/30/220837730.db2.gz	KNFNEJODTLGCFZ-OKILXGFUSA-N	1	0	379.509	2.593	50	5		GFBARO
O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000024242817	570482217	/nfs/dbraw/zinc/48/22/17/570482217.db2.gz	NNNGVSOFHUVBDI-APWZRJJASA-N	1	0	399.447	2.685	50	5		GFBARO
CC(C)OC[C@@H](O)C[NH2+][C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160385	570555256	/nfs/dbraw/zinc/55/52/56/570555256.db2.gz	HGGHGJYFBFHXER-JKSUJKDBSA-N	1	0	378.429	2.717	50	5		GFBARO
Cc1nn(CN2CC[NH+](Cc3ccccc3C)CC2)c2ncc([N+](=O)[O-])cc12	ZINC000072312373	570648239	/nfs/dbraw/zinc/64/82/39/570648239.db2.gz	FWSNDFKUKFWJEN-UHFFFAOYSA-N	1	0	380.452	2.732	50	5		GFBARO
CC1(C)CC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1	ZINC000007318798	220992998	/nfs/dbraw/zinc/99/29/98/220992998.db2.gz	NIEKKAFDUVQADE-UHFFFAOYSA-N	1	0	375.878	2.836	50	5		GFBARO
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1	ZINC000106143784	570948834	/nfs/dbraw/zinc/94/88/34/570948834.db2.gz	WBKPWTDSOJYJKG-DZKIICNBSA-N	1	0	397.497	2.629	50	5		GFBARO
Cc1nn(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-]	ZINC000008719693	221051879	/nfs/dbraw/zinc/05/18/79/221051879.db2.gz	XWEYFZJQQOQQEG-UHFFFAOYSA-N	1	0	385.468	2.710	50	5		GFBARO
CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1	ZINC000015129212	221333744	/nfs/dbraw/zinc/33/37/44/221333744.db2.gz	AXSILRIDNFZZET-KRWDZBQOSA-N	1	0	392.481	2.737	50	5		GFBARO
O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000004688188	570834520	/nfs/dbraw/zinc/83/45/20/570834520.db2.gz	NQMBOBRINGXSGP-UHFFFAOYSA-N	1	0	384.480	2.559	50	5		GFBARO
CCC(CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1	ZINC000012562459	528823209	/nfs/dbraw/zinc/82/32/09/528823209.db2.gz	UTYNEPVXORJMEW-QGZVFWFLSA-N	1	0	384.502	2.555	50	5		GFBARO
CC(C)NC(=O)c1ccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000023619426	570328581	/nfs/dbraw/zinc/32/85/81/570328581.db2.gz	XIRJZZKKXXKJII-GASCZTMLSA-N	1	0	378.473	2.644	50	5		GFBARO
CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000170633093	570927020	/nfs/dbraw/zinc/92/70/20/570927020.db2.gz	ARHQSWMMOAPSPZ-ZDUSSCGKSA-N	1	0	381.860	2.821	50	5		GFBARO
CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	ZINC000006391764	570403340	/nfs/dbraw/zinc/40/33/40/570403340.db2.gz	KGGXZRRIHHVESW-CQSZACIVSA-N	1	0	399.455	2.683	50	5		GFBARO
C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000005150428	570426069	/nfs/dbraw/zinc/42/60/69/570426069.db2.gz	KPEFNQIGZOMSES-SFHVURJKSA-N	1	0	393.399	2.808	50	5		GFBARO
NC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1	ZINC000054636874	570993000	/nfs/dbraw/zinc/99/30/00/570993000.db2.gz	YGROKIFIOKRYIF-UHFFFAOYSA-N	1	0	391.431	2.564	50	5		GFBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccccc1	ZINC000084535685	571021515	/nfs/dbraw/zinc/02/15/15/571021515.db2.gz	URRCTGZEPKZBCT-UHFFFAOYSA-N	1	0	389.477	2.882	50	5		GFBARO
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NCCC[NH+](C)C)c12	ZINC000036618494	230926195	/nfs/dbraw/zinc/92/61/95/230926195.db2.gz	TWWHUYXTUKRRBA-UHFFFAOYSA-N	1	0	383.408	2.788	50	5		GFBARO
CCOC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1	ZINC000016599251	221366272	/nfs/dbraw/zinc/36/62/72/221366272.db2.gz	CMOVPQULPNTDQD-SFHVURJKSA-N	1	0	385.420	2.804	50	5		GFBARO
C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-]	ZINC000095467603	533390370	/nfs/dbraw/zinc/39/03/70/533390370.db2.gz	BWEFFDBNDCOWQU-AWEZNQCLSA-N	1	0	385.468	2.726	50	5		GFBARO
O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[N+]2(CCCC2)CC1	ZINC000003440603	551093411	/nfs/dbraw/zinc/09/34/11/551093411.db2.gz	PULDGUJCHSTPBN-UHFFFAOYSA-N	1	0	383.843	2.974	50	5		GFBARO
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O	ZINC000008215731	221031300	/nfs/dbraw/zinc/03/13/00/221031300.db2.gz	LFISGFFVCYMKIS-GOSISDBHSA-N	1	0	392.415	2.849	50	5		GFBARO
CC[NH+](CC)[C@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])CC(C)C	ZINC000012564437	570869696	/nfs/dbraw/zinc/86/96/96/570869696.db2.gz	KHECSVVSKGTWDQ-AWEZNQCLSA-N	1	0	386.518	2.671	50	5		GFBARO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002101190	570942353	/nfs/dbraw/zinc/94/23/53/570942353.db2.gz	HOZQYTNOQZBRCS-HKUYNNGSSA-N	1	0	387.461	2.900	50	5		GFBARO