smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000001877108	551723245	/nfs/dbraw/zinc/72/32/45/551723245.db2.gz	STHHMEFBLYHIME-GRKNLSHJSA-N	1	0	549.631	4.426	50	5		KIBARO
O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000001877109	551723168	/nfs/dbraw/zinc/72/31/68/551723168.db2.gz	STHHMEFBLYHIME-QCENPCRXSA-N	1	0	549.631	4.426	50	5	biogenic	KIBARO
O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000001877110	551723249	/nfs/dbraw/zinc/72/32/49/551723249.db2.gz	STHHMEFBLYHIME-MVSFAKPFSA-N	1	0	549.631	4.426	50	5		KIBARO
O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc([N+](=O)[O-])c3)N12	ZINC000001877111	551723253	/nfs/dbraw/zinc/72/32/53/551723253.db2.gz	STHHMEFBLYHIME-IZEXYCQBSA-N	1	0	549.631	4.426	50	5	biogenic	KIBARO
Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]21	ZINC000002334522	552096875	/nfs/dbraw/zinc/09/68/75/552096875.db2.gz	NGFOLCMPKJGNRL-TXMPGWIESA-N	1	0	522.561	4.226	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000008400005	553003211	/nfs/dbraw/zinc/00/32/11/553003211.db2.gz	DIZCDGDYFQRDDV-WYQLEPPDSA-N	1	0	644.153	4.249	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000008400008	553003100	/nfs/dbraw/zinc/00/31/00/553003100.db2.gz	DIZCDGDYFQRDDV-PVPFEYIBSA-N	1	0	644.153	4.249	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000008400037	553003155	/nfs/dbraw/zinc/00/31/55/553003155.db2.gz	NJYKFEZZSPHWIY-ZJOBTTRRSA-N	1	0	655.802	4.318	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000008400039	553003217	/nfs/dbraw/zinc/00/32/17/553003217.db2.gz	NJYKFEZZSPHWIY-ZEZCTPEWSA-N	1	0	655.802	4.318	50	5		KIBARO
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008834902	553161192	/nfs/dbraw/zinc/16/11/92/553161192.db2.gz	NEUDEXMCOMTRDG-HXUWFJFHSA-N	1	0	500.349	4.351	50	5		KIBARO
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008834903	553161475	/nfs/dbraw/zinc/16/14/75/553161475.db2.gz	NEUDEXMCOMTRDG-FQEVSTJZSA-N	1	0	500.349	4.351	50	5		KIBARO
COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c1ccc(C)cc1	ZINC000009071696	553207075	/nfs/dbraw/zinc/20/70/75/553207075.db2.gz	NYDMYCZHVOSNEC-QFIPXVFZSA-N	1	0	507.653	4.082	50	5		KIBARO
COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c1ccc(C)cc1	ZINC000009075750	553207546	/nfs/dbraw/zinc/20/75/46/553207546.db2.gz	NYDMYCZHVOSNEC-JOCHJYFZSA-N	1	0	507.653	4.082	50	5		KIBARO
Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)COc5ccc([N+](=O)[O-])cc5)ccc4n3C)CC2)cc1	ZINC000009110451	553210027	/nfs/dbraw/zinc/21/00/27/553210027.db2.gz	XCNDHMIRFHKOHJ-UHFFFAOYSA-N	1	0	528.613	4.172	50	5		KIBARO
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCC([NH+]2CCCCC2)CC1	ZINC000009860259	553313759	/nfs/dbraw/zinc/31/37/59/553313759.db2.gz	APYIIRIFNVBFRO-UHFFFAOYSA-N	1	0	522.657	4.392	50	5		KIBARO
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCC[NH+]1CCCCCC1	ZINC000009860266	553313945	/nfs/dbraw/zinc/31/39/45/553313945.db2.gz	SCYVFFGQHWYDGL-UHFFFAOYSA-N	1	0	510.646	4.297	50	5		KIBARO
C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12	ZINC000009860268	553313902	/nfs/dbraw/zinc/31/39/02/553313902.db2.gz	JEVUGXBXHKECDP-OYRHEFFESA-N	1	0	510.646	4.294	50	5		KIBARO
C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12	ZINC000009860269	553313964	/nfs/dbraw/zinc/31/39/64/553313964.db2.gz	JEVUGXBXHKECDP-SFTDATJTSA-N	1	0	510.646	4.294	50	5		KIBARO
C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12	ZINC000009860270	553313897	/nfs/dbraw/zinc/31/38/97/553313897.db2.gz	JEVUGXBXHKECDP-NHCUHLMSSA-N	1	0	510.646	4.294	50	5		KIBARO
CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000009908032	553316574	/nfs/dbraw/zinc/31/65/74/553316574.db2.gz	CXNZBWBSWHLTJU-UHFFFAOYSA-N	1	0	509.607	4.156	50	5		KIBARO
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1	ZINC000012428860	553366257	/nfs/dbraw/zinc/36/62/57/553366257.db2.gz	QUJSPACNMFCDJP-UHFFFAOYSA-N	1	0	524.643	4.122	50	5		KIBARO
CCc1ccccc1Nc1nc(N)nc(C[N+]2(Cc3nc(N)nc(Nc4ccccc4CC)n3)CCCC2)n1	ZINC000012585963	553399658	/nfs/dbraw/zinc/39/96/58/553399658.db2.gz	BFCRWXUHFRUTAV-UHFFFAOYSA-N	1	0	526.673	4.144	50	5		KIBARO
CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)[NH2+]C(C)(C)C2	ZINC000014180516	553505986	/nfs/dbraw/zinc/50/59/86/553505986.db2.gz	ZAANHCCBNPBWCS-UHFFFAOYSA-N	1	0	503.577	4.096	50	5		KIBARO
CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000015936391	553542802	/nfs/dbraw/zinc/54/28/02/553542802.db2.gz	SQXFLZJKENBNNG-UHFFFAOYSA-N	1	0	522.602	4.485	50	5		KIBARO
CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000015936395	553542775	/nfs/dbraw/zinc/54/27/75/553542775.db2.gz	ZJHVQCSHVAQZGC-UHFFFAOYSA-N	1	0	522.602	4.485	50	5		KIBARO
Cc1ccc2c(c1C)NC(=O)[C@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]21	ZINC000016012234	553550731	/nfs/dbraw/zinc/55/07/31/553550731.db2.gz	NGFOLCMPKJGNRL-FKPFRUIKSA-N	1	0	522.561	4.226	50	5		KIBARO
Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]21	ZINC000016012236	553550756	/nfs/dbraw/zinc/55/07/56/553550756.db2.gz	NGFOLCMPKJGNRL-LZJHYZMMSA-N	1	0	522.561	4.226	50	5		KIBARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	ZINC000016021864	553551159	/nfs/dbraw/zinc/55/11/59/553551159.db2.gz	LHMBYHDQQLQZIV-VMGOQZOXSA-N	1	0	522.561	4.172	50	5		KIBARO
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CC[NH+](C2CCCCC2)CC1	ZINC000019830605	553622534	/nfs/dbraw/zinc/62/25/34/553622534.db2.gz	GDOFFEZHZGKLDR-UHFFFAOYSA-N	1	0	522.657	4.392	50	5		KIBARO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ccc3n2)CC1	ZINC000020153512	553598213	/nfs/dbraw/zinc/59/82/13/553598213.db2.gz	KYGPTVQFQRPGEA-UHFFFAOYSA-N	1	0	519.675	4.112	50	5		KIBARO
O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1	ZINC000020618207	553681012	/nfs/dbraw/zinc/68/10/12/553681012.db2.gz	LSZDEVAOFRXYRI-UHFFFAOYSA-N	1	0	514.630	4.406	50	5		KIBARO
Cc1c(Cl)cccc1-n1ncc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C1CC[NH2+]CC1	ZINC000021018186	553705637	/nfs/dbraw/zinc/70/56/37/553705637.db2.gz	VVVGOAHJHNJKGS-UHFFFAOYSA-N	1	0	509.010	4.172	50	5		KIBARO
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000021992079	553722603	/nfs/dbraw/zinc/72/26/03/553722603.db2.gz	QZVNQOLPLYWLHQ-JYFHCDHNSA-N	1	0	505.571	4.210	50	5	in-vitro	KIBARO
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000031284167	553861169	/nfs/dbraw/zinc/86/11/69/553861169.db2.gz	QZVNQOLPLYWLHQ-BVAGGSTKSA-N	1	0	505.571	4.210	50	5	in-man	KIBARO
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000033356122	553939374	/nfs/dbraw/zinc/93/93/74/553939374.db2.gz	MXFQTFJWHIBMGA-UHFFFAOYSA-N	1	0	559.623	4.217	50	5		KIBARO
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000033905880	553976290	/nfs/dbraw/zinc/97/62/90/553976290.db2.gz	QZVNQOLPLYWLHQ-OZXSUGGESA-N	1	0	505.571	4.210	50	5	in-vitro	KIBARO
Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000034725130	553996710	/nfs/dbraw/zinc/99/67/10/553996710.db2.gz	PRSGLZGIXQBAJL-UHFFFAOYSA-N	1	0	519.646	4.409	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830042	554014024	/nfs/dbraw/zinc/01/40/24/554014024.db2.gz	SRKRABJJJAPPLL-HHHXNRCGSA-N	1	0	518.639	4.369	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830043	554013850	/nfs/dbraw/zinc/01/38/50/554013850.db2.gz	SRKRABJJJAPPLL-MHZLTWQESA-N	1	0	518.639	4.369	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830044	554014063	/nfs/dbraw/zinc/01/40/63/554014063.db2.gz	DPWRJWFIUGHNHT-HHHXNRCGSA-N	1	0	518.639	4.369	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830045	554013867	/nfs/dbraw/zinc/01/38/67/554013867.db2.gz	DPWRJWFIUGHNHT-MHZLTWQESA-N	1	0	518.639	4.369	50	5		KIBARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830192	554014917	/nfs/dbraw/zinc/01/49/17/554014917.db2.gz	RQTVPCIPEPTCNX-HHHXNRCGSA-N	1	0	518.639	4.287	50	5		KIBARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830193	554014791	/nfs/dbraw/zinc/01/47/91/554014791.db2.gz	RQTVPCIPEPTCNX-MHZLTWQESA-N	1	0	518.639	4.287	50	5		KIBARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830194	554014960	/nfs/dbraw/zinc/01/49/60/554014960.db2.gz	IZGIQCLEGZFUEV-HHHXNRCGSA-N	1	0	518.639	4.287	50	5		KIBARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830195	554014971	/nfs/dbraw/zinc/01/49/71/554014971.db2.gz	IZGIQCLEGZFUEV-MHZLTWQESA-N	1	0	518.639	4.287	50	5		KIBARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830306	554015352	/nfs/dbraw/zinc/01/53/52/554015352.db2.gz	RKBGVMYEYMQBGR-RXFWQSSRSA-N	1	0	518.639	4.285	50	5		KIBARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830307	554015342	/nfs/dbraw/zinc/01/53/42/554015342.db2.gz	RKBGVMYEYMQBGR-FNZWTVRRSA-N	1	0	518.639	4.285	50	5		KIBARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830308	554015225	/nfs/dbraw/zinc/01/52/25/554015225.db2.gz	AYMWSOYDOGVUDG-RXFWQSSRSA-N	1	0	518.639	4.285	50	5		KIBARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830309	554015240	/nfs/dbraw/zinc/01/52/40/554015240.db2.gz	AYMWSOYDOGVUDG-FNZWTVRRSA-N	1	0	518.639	4.285	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830454	554016177	/nfs/dbraw/zinc/01/61/77/554016177.db2.gz	IYOKQFXTRGONCT-AREMUKBSSA-N	1	0	522.602	4.118	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000034830455	554016274	/nfs/dbraw/zinc/01/62/74/554016274.db2.gz	IYOKQFXTRGONCT-SANMLTNESA-N	1	0	522.602	4.118	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830456	554016135	/nfs/dbraw/zinc/01/61/35/554016135.db2.gz	WDASFGWZFCUQMS-AREMUKBSSA-N	1	0	522.602	4.118	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000034830457	554016263	/nfs/dbraw/zinc/01/62/63/554016263.db2.gz	WDASFGWZFCUQMS-SANMLTNESA-N	1	0	522.602	4.118	50	5		KIBARO
CC[NH+]1CCN(c2c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034831293	554016917	/nfs/dbraw/zinc/01/69/17/554016917.db2.gz	NOGAUOFAPMKEHZ-UHFFFAOYSA-N	1	0	508.598	4.421	50	5		KIBARO
CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034835489	554019876	/nfs/dbraw/zinc/01/98/76/554019876.db2.gz	GOZJQWQBWHADOD-UHFFFAOYSA-N	1	0	508.598	4.422	50	5		KIBARO
CC[NH+]1CCN(c2c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034835576	554019904	/nfs/dbraw/zinc/01/99/04/554019904.db2.gz	MBOQVNQUZSSIFU-UHFFFAOYSA-N	1	0	506.582	4.175	50	5		KIBARO
CC[NH+]1CCN(c2c(CN(C(=O)c3cccc([N+](=O)[O-])c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034835580	554019979	/nfs/dbraw/zinc/01/99/79/554019979.db2.gz	QZJFUBPEUUMWDS-UHFFFAOYSA-N	1	0	506.582	4.175	50	5		KIBARO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1	ZINC000034912369	554029447	/nfs/dbraw/zinc/02/94/47/554029447.db2.gz	CHYZXUUQNFNZPS-UHFFFAOYSA-N	1	0	518.658	4.393	50	5		KIBARO
Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21	ZINC000035852009	554083873	/nfs/dbraw/zinc/08/38/73/554083873.db2.gz	NGFOLCMPKJGNRL-UXBLOQAESA-N	1	0	522.561	4.226	50	5		KIBARO
O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870350	554085327	/nfs/dbraw/zinc/08/53/27/554085327.db2.gz	YTENJFBTRJIYDR-XNMGPUDCSA-N	1	0	505.018	4.470	50	5		KIBARO
O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870351	554085450	/nfs/dbraw/zinc/08/54/50/554085450.db2.gz	YTENJFBTRJIYDR-AHKZPQOWSA-N	1	0	505.018	4.470	50	5		KIBARO
COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC	ZINC000035870394	554085472	/nfs/dbraw/zinc/08/54/72/554085472.db2.gz	ZAGSPZJLBJOUSG-ILBGXUMGSA-N	1	0	520.561	4.253	50	5		KIBARO
COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC	ZINC000035870395	554085412	/nfs/dbraw/zinc/08/54/12/554085412.db2.gz	ZAGSPZJLBJOUSG-UKILVPOCSA-N	1	0	520.561	4.253	50	5		KIBARO
CCCCOC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340260	554219828	/nfs/dbraw/zinc/21/98/28/554219828.db2.gz	TYFSIEXUCGWJNS-AREMUKBSSA-N	1	0	519.646	4.251	50	5		KIBARO
CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340261	554219807	/nfs/dbraw/zinc/21/98/07/554219807.db2.gz	TYFSIEXUCGWJNS-SANMLTNESA-N	1	0	519.646	4.251	50	5		KIBARO
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)c2)CC1	ZINC000055219824	554350670	/nfs/dbraw/zinc/35/06/70/554350670.db2.gz	QYNVUITVJCIQKX-UHFFFAOYSA-N	1	0	503.578	4.019	50	5		KIBARO
O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)c2)CC1	ZINC000055556903	554351009	/nfs/dbraw/zinc/35/10/09/554351009.db2.gz	BYXKKZSVMPNFOE-UHFFFAOYSA-N	1	0	503.578	4.019	50	5		KIBARO
CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000057222958	554353151	/nfs/dbraw/zinc/35/31/51/554353151.db2.gz	WKVMYVIKYBYDIG-UHFFFAOYSA-N	1	0	518.570	4.355	50	5		KIBARO
CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000057238694	554353302	/nfs/dbraw/zinc/35/33/02/554353302.db2.gz	LOIYGXORECHQHZ-UHFFFAOYSA-N	1	0	518.570	4.355	50	5		KIBARO
Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000057264463	554353397	/nfs/dbraw/zinc/35/33/97/554353397.db2.gz	DVLHOTZZKYVEHR-UHFFFAOYSA-N	1	0	502.550	4.238	50	5		KIBARO
Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000057264466	554353410	/nfs/dbraw/zinc/35/34/10/554353410.db2.gz	XYWKJVQIYCADFH-UHFFFAOYSA-N	1	0	502.550	4.238	50	5		KIBARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000064097931	554510768	/nfs/dbraw/zinc/51/07/68/554510768.db2.gz	LHMBYHDQQLQZIV-LPKQAODOSA-N	1	0	522.561	4.172	50	5		KIBARO
O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000068744137	553593209	/nfs/dbraw/zinc/59/32/09/553593209.db2.gz	LVLPOLOPUYQAGQ-UHFFFAOYSA-N	1	0	508.578	4.348	50	5		KIBARO
CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000097948476	553794194	/nfs/dbraw/zinc/79/41/94/553794194.db2.gz	NLBMEFDRMZUOOF-UHFFFAOYSA-N	1	0	573.650	4.183	50	5		KIBARO
CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000097948477	553794068	/nfs/dbraw/zinc/79/40/68/553794068.db2.gz	OLGWKLJOGJNPQR-UHFFFAOYSA-N	1	0	573.650	4.183	50	5		KIBARO
Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000097955866	553834639	/nfs/dbraw/zinc/83/46/39/553834639.db2.gz	MWEMXIOWGUMQQR-UHFFFAOYSA-N	1	0	532.576	4.003	50	5		KIBARO
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000100014880	554181285	/nfs/dbraw/zinc/18/12/85/554181285.db2.gz	QZVNQOLPLYWLHQ-ZEQKJWHPSA-N	1	0	505.571	4.210	50	5	world	KIBARO
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000100128489	554225271	/nfs/dbraw/zinc/22/52/71/554225271.db2.gz	PAZMINMTLTXNNI-UHFFFAOYSA-N	1	0	556.088	4.081	50	5		KIBARO
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000100134437	554226375	/nfs/dbraw/zinc/22/63/75/554226375.db2.gz	WVXIGBOSVYWTKB-UHFFFAOYSA-N	1	0	600.539	4.190	50	5		KIBARO
C[NH+](C)CCCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000100842090	554489836	/nfs/dbraw/zinc/48/98/36/554489836.db2.gz	ADUJMCAPLRGPBB-OOAXWGSJSA-N	1	0	538.608	4.286	50	5		KIBARO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)cc1	ZINC000100883152	554507762	/nfs/dbraw/zinc/50/77/62/554507762.db2.gz	DQHRRIALCJSXKU-NDBXHCKUSA-N	1	0	544.951	4.411	50	5		KIBARO
O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000101330643	554731538	/nfs/dbraw/zinc/73/15/38/554731538.db2.gz	CJADJEVILGAAKO-UHFFFAOYSA-N	1	0	569.662	4.071	50	5		KIBARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000101346990	554737659	/nfs/dbraw/zinc/73/76/59/554737659.db2.gz	LHMBYHDQQLQZIV-DARZMLDPSA-N	1	0	522.561	4.172	50	5		KIBARO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1	ZINC000101349781	554738099	/nfs/dbraw/zinc/73/80/99/554738099.db2.gz	BVMYZZPWRUTCMP-UHFFFAOYSA-N	1	0	547.612	4.057	50	5		KIBARO
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]CCCSCc2ccco2)cc1	ZINC000101349885	554738080	/nfs/dbraw/zinc/73/80/80/554738080.db2.gz	XAEGJUMFDLDPIO-UHFFFAOYSA-N	1	0	540.598	4.468	50	5		KIBARO
O=C(NCCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1	ZINC000102835118	555079714	/nfs/dbraw/zinc/07/97/14/555079714.db2.gz	AFZZRZCWNMVRRF-UHFFFAOYSA-N	1	0	525.974	4.207	50	5		KIBARO
CC[NH+]1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)CC1	ZINC000103037527	555223311	/nfs/dbraw/zinc/22/33/11/555223311.db2.gz	SXBMZAPDHQQZJQ-UHFFFAOYSA-N	1	0	554.717	4.468	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000103097653	555274857	/nfs/dbraw/zinc/27/48/57/555274857.db2.gz	DWXADLHUJZCOOR-AREMUKBSSA-N	1	0	593.102	4.320	50	5		KIBARO
O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000103097657	555274786	/nfs/dbraw/zinc/27/47/86/555274786.db2.gz	DWXADLHUJZCOOR-SANMLTNESA-N	1	0	593.102	4.320	50	5		KIBARO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1OC	ZINC000103222909	555341024	/nfs/dbraw/zinc/34/10/24/555341024.db2.gz	XAXDAYXQAOQYJC-XNMGPUDCSA-N	1	0	565.070	4.487	50	5		KIBARO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@H]23)cc1OC	ZINC000103222914	555341149	/nfs/dbraw/zinc/34/11/49/555341149.db2.gz	XAXDAYXQAOQYJC-AHKZPQOWSA-N	1	0	565.070	4.487	50	5		KIBARO
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	ZINC000103547045	555441388	/nfs/dbraw/zinc/44/13/88/555441388.db2.gz	JNIHNHHTMVBUCU-HFLBTKGNSA-N	1	0	564.554	4.236	50	5		KIBARO
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	ZINC000103547050	555441307	/nfs/dbraw/zinc/44/13/07/555441307.db2.gz	JNIHNHHTMVBUCU-BPXGVECKSA-N	1	0	564.554	4.236	50	5		KIBARO
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	ZINC000103547055	555441280	/nfs/dbraw/zinc/44/12/80/555441280.db2.gz	JNIHNHHTMVBUCU-HPQIJTKRSA-N	1	0	564.554	4.236	50	5		KIBARO
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	ZINC000103547059	555441367	/nfs/dbraw/zinc/44/13/67/555441367.db2.gz	JNIHNHHTMVBUCU-GCFVYEKYSA-N	1	0	564.554	4.236	50	5		KIBARO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000103549253	555442279	/nfs/dbraw/zinc/44/22/79/555442279.db2.gz	WBRWTURFOHAIIR-NGSHPTGOSA-N	1	0	528.952	4.398	50	5		KIBARO
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000103549258	555442342	/nfs/dbraw/zinc/44/23/42/555442342.db2.gz	WBRWTURFOHAIIR-VPBXCIAMSA-N	1	0	528.952	4.398	50	5		KIBARO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000104030458	571371455	/nfs/dbraw/zinc/37/14/55/571371455.db2.gz	RJXNBZRXDNKBQO-YCAMKHIRSA-N	1	0	514.925	4.402	50	5		KIBARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000105061291	571390963	/nfs/dbraw/zinc/39/09/63/571390963.db2.gz	RKBGVMYEYMQBGR-IBVKSMDESA-N	1	0	518.639	4.285	50	5		KIBARO
Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000105061300	571390966	/nfs/dbraw/zinc/39/09/66/571390966.db2.gz	AYMWSOYDOGVUDG-IBVKSMDESA-N	1	0	518.639	4.285	50	5		KIBARO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1	ZINC000169677528	571555170	/nfs/dbraw/zinc/55/51/70/571555170.db2.gz	IAXSAEPYNUPFRD-IAPPQJPRSA-N	1	0	535.044	4.479	50	5		KIBARO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1	ZINC000169677529	571555002	/nfs/dbraw/zinc/55/50/02/571555002.db2.gz	IAXSAEPYNUPFRD-XCZPVHLTSA-N	1	0	535.044	4.479	50	5		KIBARO
COc1ccc(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC	ZINC000169677777	571555377	/nfs/dbraw/zinc/55/53/77/571555377.db2.gz	ZAGSPZJLBJOUSG-NOZRDPDXSA-N	1	0	520.561	4.253	50	5		KIBARO
COc1ccc(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC	ZINC000169677778	571555416	/nfs/dbraw/zinc/55/54/16/571555416.db2.gz	ZAGSPZJLBJOUSG-ZCYQVOJMSA-N	1	0	520.561	4.253	50	5		KIBARO
COc1ccc(CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1OC	ZINC000169679081	571556347	/nfs/dbraw/zinc/55/63/47/571556347.db2.gz	XAXDAYXQAOQYJC-VPUSJEBWSA-N	1	0	565.070	4.487	50	5		KIBARO
COc1ccc(CCNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@H+](Cc4ccc(Cl)cc4)C[C@@H]23)cc1OC	ZINC000169679082	571556339	/nfs/dbraw/zinc/55/63/39/571556339.db2.gz	XAXDAYXQAOQYJC-BDYUSTAISA-N	1	0	565.070	4.487	50	5		KIBARO
C[N+](C)(C)[C@@H]1[C@@H](O)[C@H](O)[C@@H](COCC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1OC(=O)c1ccccc1	ZINC000198689865	571568384	/nfs/dbraw/zinc/56/83/84/571568384.db2.gz	AGVLAEXRJVINBH-MRKLFBNESA-N	1	0	582.717	4.416	50	5		KIBARO
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000229835749	572160721	/nfs/dbraw/zinc/16/07/21/572160721.db2.gz	ZULPAKODZSFDPI-LWSSLDFYSA-N	1	0	514.925	4.402	50	5		KIBARO
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000230109860	572183904	/nfs/dbraw/zinc/18/39/04/572183904.db2.gz	ZULPAKODZSFDPI-YCAMKHIRSA-N	1	0	514.925	4.402	50	5		KIBARO
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12	ZINC000245327825	572234396	/nfs/dbraw/zinc/23/43/96/572234396.db2.gz	RPTKCNLFCBXWBF-LXEATBNUSA-N	1	0	528.952	4.263	50	5		KIBARO
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12	ZINC000245327828	572234388	/nfs/dbraw/zinc/23/43/88/572234388.db2.gz	RPTKCNLFCBXWBF-QJGCUMMJSA-N	1	0	528.952	4.263	50	5		KIBARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000245342990	572236788	/nfs/dbraw/zinc/23/67/88/572236788.db2.gz	AYMWSOYDOGVUDG-FQRUVTKNSA-N	1	0	518.639	4.285	50	5		KIBARO
C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000245343207	572237728	/nfs/dbraw/zinc/23/77/28/572237728.db2.gz	IBAFJILQFNXYEX-MRDQGFSESA-N	1	0	593.102	4.318	50	5		KIBARO
Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000248108047	572253776	/nfs/dbraw/zinc/25/37/76/572253776.db2.gz	RKBGVMYEYMQBGR-FQRUVTKNSA-N	1	0	518.639	4.285	50	5		KIBARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	ZINC000251997521	572259660	/nfs/dbraw/zinc/25/96/60/572259660.db2.gz	LHMBYHDQQLQZIV-DLQYFKQDSA-N	1	0	522.561	4.172	50	5		KIBARO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000251997526	572259648	/nfs/dbraw/zinc/25/96/48/572259648.db2.gz	LHMBYHDQQLQZIV-XSLCZBKOSA-N	1	0	522.561	4.172	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000252667728	572273865	/nfs/dbraw/zinc/27/38/65/572273865.db2.gz	DIZCDGDYFQRDDV-PMERELPUSA-N	1	0	644.153	4.249	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000252667729	572273816	/nfs/dbraw/zinc/27/38/16/572273816.db2.gz	DIZCDGDYFQRDDV-SSEXGKCCSA-N	1	0	644.153	4.249	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000252671512	572276827	/nfs/dbraw/zinc/27/68/27/572276827.db2.gz	NJYKFEZZSPHWIY-HKBQPEDESA-N	1	0	655.802	4.318	50	5		KIBARO
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000252671513	572276794	/nfs/dbraw/zinc/27/67/94/572276794.db2.gz	NJYKFEZZSPHWIY-WJOKGBTCSA-N	1	0	655.802	4.318	50	5		KIBARO
Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@@H+]21	ZINC000253487650	572290773	/nfs/dbraw/zinc/29/07/73/572290773.db2.gz	NGFOLCMPKJGNRL-CDBRBCFXSA-N	1	0	522.561	4.226	50	5		KIBARO
COc1ccc(C(=O)Nc2cc3c(cc2NC(=O)c2ccc(OC)c(OC)c2)[n+](=O)c2ccccc2n3O)cc1OC	ZINC000367883713	572155560	/nfs/dbraw/zinc/15/55/60/572155560.db2.gz	NCQFNJKGXDPWPM-UHFFFAOYSA-O	1	0	571.566	4.485	50	5		KIBARO