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+](CC)CCCNc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc2cc3ccccc3cc21	ZINC000001858437	562923554	/nfs/dbraw/zinc/92/35/54/562923554.db2.gz	NRPYGTHRBIATLU-UHFFFAOYSA-N	1	0	457.578	4.781	1	5		JJBFRO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccc(I)c([N+](=O)[O-])c1	ZINC000013740366	562986739	/nfs/dbraw/zinc/98/67/39/562986739.db2.gz	CPFHAWLKYQUCNB-XFPJRNFQSA-N	1	0	478.330	4.629	1	5		JJBFRO
C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000026163067	563022876	/nfs/dbraw/zinc/02/28/76/563022876.db2.gz	QHNMWCWNYWVMDS-NFBKMPQASA-N	1	0	489.597	4.988	1	5		JJBFRO
Cc1c2c(cc3c1ccnc3C(=O)NCC[NH+](C)C)c1cc(OC(=O)Cc3ccccc3)ccc1n2C	ZINC000026289973	563025675	/nfs/dbraw/zinc/02/56/75/563025675.db2.gz	SONNJBMVVVOHQN-UHFFFAOYSA-N	1	0	494.595	4.628	1	5		JJBFRO
CC[NH+](CC)CCn1[nH]c2c3c1ccc([N+](=O)[O-])c3nc1ccc(OC(=O)C(C)(C)C)cc21	ZINC000027103082	563040046	/nfs/dbraw/zinc/04/00/46/563040046.db2.gz	XHFFFWNPSNKZAM-UHFFFAOYSA-N	1	0	451.527	4.872	1	5		JJBFRO
Cn1c2ccc(Cl)cc2c2cc(C=CC(=O)N3CCOCC3)cc3c2c1c1ccccc1[n+]3C	ZINC000028638370	563071979	/nfs/dbraw/zinc/07/19/79/563071979.db2.gz	PVUJTIXGNUVMBG-JXMROGBWSA-N	1	0	470.980	4.988	1	5		JJBFRO
[NH3+]CC1CCC(CNc2nc(NCc3ccccc3SC(F)(F)F)ncc2[N+](=O)[O-])CC1	ZINC000028898455	563085954	/nfs/dbraw/zinc/08/59/54/563085954.db2.gz	IZUBUBBDKDIPKI-UHFFFAOYSA-N	1	0	470.521	4.786	1	5		JJBFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc1)CC2	ZINC000040898261	563154238	/nfs/dbraw/zinc/15/42/38/563154238.db2.gz	SETUYMXOMAZAIL-UHFFFAOYSA-N	1	0	476.533	4.857	1	5		JJBFRO
C[N@@H+](CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC(c1ccccc1)c1ccccc1	ZINC000040913362	563154941	/nfs/dbraw/zinc/15/49/41/563154941.db2.gz	ZKSPWTXSXSXFPO-UHFFFAOYSA-N	1	0	486.616	4.788	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000043196332	563168358	/nfs/dbraw/zinc/16/83/58/563168358.db2.gz	FNYFFCOCVNTJCD-NNMXADRKSA-N	1	0	465.633	4.922	1	5	investigational	JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)(c1cccs1)N1CCCCC1	ZINC000073163078	717134420	/nfs/dbraw/zinc/13/44/20/717134420.db2.gz	LDMUCNIFYVJOTG-YPAULADPSA-N	1	0	468.687	4.629	1	5		JJBFRO
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@+]1(C)CC1CC1)[C@H]2O5	ZINC000473183380	717182906	/nfs/dbraw/zinc/18/29/06/717182906.db2.gz	VTGIBPDRGIZMNY-UQTALBOSSA-O	1	0	492.636	4.571	1	5		JJBFRO
CC[N@H+](CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NC)c1	ZINC000013781335	562992117	/nfs/dbraw/zinc/99/21/17/562992117.db2.gz	HXQCOCVRUGEICR-UHFFFAOYSA-N	1	0	460.530	4.955	1	5		JJBFRO
C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000026163081	563022923	/nfs/dbraw/zinc/02/29/23/563022923.db2.gz	QHNMWCWNYWVMDS-OFNKIYASSA-N	1	0	489.597	4.988	1	5		JJBFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1	ZINC000026503070	563029219	/nfs/dbraw/zinc/02/92/19/563029219.db2.gz	IRPUKYZSRMCQGP-UHFFFAOYSA-N	1	0	454.534	4.985	1	5		JJBFRO
C[N@@H+](CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Cc2ccccc21	ZINC000040866321	563151138	/nfs/dbraw/zinc/15/11/38/563151138.db2.gz	QBADAHRHGKRIFZ-UHFFFAOYSA-N	1	0	498.627	4.692	1	5		JJBFRO
CCCCOc1ccc(C[N@@+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)[C@@H](CO)c2ccccc2)C3)cc1	ZINC000254085942	717169881	/nfs/dbraw/zinc/16/98/81/717169881.db2.gz	ALVDDLOWVXJXCD-GQSOHLTDSA-N	1	0	452.615	4.825	1	5		JJBFRO
O=C1C[C@@H]2OCC=C3C[N+]4(Cc5ccc6ccccc6c5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64	ZINC000043910923	717129334	/nfs/dbraw/zinc/12/93/34/717129334.db2.gz	XGFSECKOYNLTFU-AQHLSBRRSA-N	1	0	475.612	4.961	1	5		JJBFRO
CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000100519375	717143632	/nfs/dbraw/zinc/14/36/32/717143632.db2.gz	ALVDDLOWVXJXCD-OTSXCXJCSA-N	1	0	452.615	4.825	1	5	in-man	JJBFRO
O=C1C[C@@H]2OCC=C3C[N@+]4(Cc5ccc6ccccc6c5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64	ZINC000253793516	717168838	/nfs/dbraw/zinc/16/88/38/717168838.db2.gz	XGFSECKOYNLTFU-YUMFPJFNSA-N	1	0	475.612	4.961	1	5		JJBFRO
Cn1ccc2ccc3c4[nH]c5c(cccc5CC[NH+]5CCCCC5)c4c4c(c3c21)C(=O)NC4=O	ZINC000000594541	562918190	/nfs/dbraw/zinc/91/81/90/562918190.db2.gz	GPNZOTCLQNMQIC-UHFFFAOYSA-N	1	0	450.542	4.878	1	5		JJBFRO
C[NH+](C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000013726500	562984978	/nfs/dbraw/zinc/98/49/78/562984978.db2.gz	IBNAPGSCYPCZRO-UHFFFAOYSA-N	1	0	486.554	4.510	1	5		JJBFRO
CNC(=O)Oc1cccc(C[N@H+](C)CCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1	ZINC000013781321	562992216	/nfs/dbraw/zinc/99/22/16/562992216.db2.gz	KBOSVOZLQUMJKM-UHFFFAOYSA-N	1	0	460.530	4.955	1	5		JJBFRO
COc1cc2cc(C(=O)C[C@@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC	ZINC000013817992	562996950	/nfs/dbraw/zinc/99/69/50/562996950.db2.gz	VTAYNRZFMWKVMV-OHEJZUQFSA-N	1	0	454.612	4.909	1	5		JJBFRO
CC[NH+](CC)CCn1nc2c3c1ccc(NCCN1CCOC1=O)c3sc1ccc(OC)cc21	ZINC000029324185	563100339	/nfs/dbraw/zinc/10/03/39/563100339.db2.gz	HXRDUTLMMNRZOC-UHFFFAOYSA-N	1	0	481.622	4.619	1	5		JJBFRO
CC(C)c1ccc2nc3ccc(C(=O)NCC[NH+]4CCC(c5ccccc5)CC4)cn3c(=O)c2c1	ZINC000029395732	563102125	/nfs/dbraw/zinc/10/21/25/563102125.db2.gz	USSJKMRJUDSCEH-UHFFFAOYSA-N	1	0	468.601	4.581	1	5		JJBFRO
C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1	ZINC000034804385	563116385	/nfs/dbraw/zinc/11/63/85/563116385.db2.gz	OOXWSZTZOMZLAV-UHFFFAOYSA-O	1	0	472.403	4.619	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21	ZINC000042989695	563163939	/nfs/dbraw/zinc/16/39/39/563163939.db2.gz	NBQAKYWBUGUZTQ-JHHOKDCISA-N	1	0	486.588	4.650	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)c1ccccc1	ZINC000043022523	563165166	/nfs/dbraw/zinc/16/51/66/563165166.db2.gz	PMSLDIHTDBABLG-IZTJEQOUSA-N	1	0	478.634	4.605	1	5		JJBFRO
O=C(Cc1ccccc1)N1CCC([NH+]2CCN(C(=O)c3c4ccccc4cc4ccccc43)CC2)CC1	ZINC000049051583	563200111	/nfs/dbraw/zinc/20/01/11/563200111.db2.gz	XDJRYHVMHXUIMU-UHFFFAOYSA-N	1	0	491.635	4.985	1	5		JJBFRO
CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2	ZINC000141991571	717152470	/nfs/dbraw/zinc/15/24/70/717152470.db2.gz	NCNQPLHOBSEBMQ-LAAOYOPBSA-N	1	0	456.610	4.883	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3F)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161188	717133733	/nfs/dbraw/zinc/13/37/33/717133733.db2.gz	OMGBLXWNGZEFEP-NNMXADRKSA-N	1	0	465.633	4.922	1	5		JJBFRO
Cc1ccc(OCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)cc1	ZINC000073164235	717134292	/nfs/dbraw/zinc/13/42/92/717134292.db2.gz	KTGKJEWKNRXADV-SHZVQYQYSA-N	1	0	477.669	4.927	1	5		JJBFRO
C[N@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1	ZINC000253684809	717167790	/nfs/dbraw/zinc/16/77/90/717167790.db2.gz	QTWQZQOULZVQSB-NYFMKLKXSA-O	1	0	462.564	4.695	1	5		JJBFRO
C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21	ZINC000013758044	562988931	/nfs/dbraw/zinc/98/89/31/562988931.db2.gz	XZKOBCVRTHCGDQ-JOCHJYFZSA-N	1	0	458.518	4.890	1	5		JJBFRO
C[N@@H+]1CCC[C@H]1CCNC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3	ZINC000026728363	563034079	/nfs/dbraw/zinc/03/40/79/563034079.db2.gz	WSXYBDKZFNJOTP-SFHVURJKSA-N	1	0	493.611	4.663	1	5		JJBFRO
C[N+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	ZINC000034802173	717124466	/nfs/dbraw/zinc/12/44/66/717124466.db2.gz	IWVCFEIBBOTGAN-PSPFREQMSA-O	1	0	456.610	4.643	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3cccnc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073196314	717134099	/nfs/dbraw/zinc/13/40/99/717134099.db2.gz	FKZXUTFIOSGCHU-NGWQEONKSA-N	1	0	462.658	4.568	1	5		JJBFRO
CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1	ZINC000100377793	717143250	/nfs/dbraw/zinc/14/32/50/717143250.db2.gz	ALVDDLOWVXJXCD-JZDGNOGPSA-N	1	0	452.615	4.825	1	5	in-man	JJBFRO
C[N+](C)(C)C[C@H](c1c[nH]c2cc(Br)ccc21)c1c(=O)c(O)c2[nH]ccc3[nH]ccc1c32	ZINC000205428988	717159912	/nfs/dbraw/zinc/15/99/12/717159912.db2.gz	SEYPOVFNBREYAZ-QGZVFWFLSA-O	1	0	480.386	4.797	1	5		JJBFRO
[O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@H]32)[C@H]5O4	ZINC000238768588	717163065	/nfs/dbraw/zinc/16/30/65/717163065.db2.gz	YGVDXBJSMGJURA-MFOWENLASA-N	1	0	494.717	4.578	1	5		JJBFRO
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c31)NC2=[NH2+]	ZINC000013450236	562964649	/nfs/dbraw/zinc/96/46/49/562964649.db2.gz	YJPAPVVHSXLXGH-UHFFFAOYSA-N	1	0	486.553	4.876	1	5		JJBFRO
COc1cc2cc(C(=O)C[C@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC	ZINC000013817996	562996944	/nfs/dbraw/zinc/99/69/44/562996944.db2.gz	VTAYNRZFMWKVMV-BYVYTNPCSA-N	1	0	454.612	4.909	1	5		JJBFRO
CC[NH+](CC)CCn1nc2c3c1ccc(NCCN1CCOC1=O)c3sc1ccccc21	ZINC000029322970	563100270	/nfs/dbraw/zinc/10/02/70/563100270.db2.gz	OHGGBPLBTQJLPD-UHFFFAOYSA-N	1	0	451.596	4.610	1	5		JJBFRO
COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H]([NH2+]CCNc4ccc([N+](=O)[O-])cn4)[C@@]3(C)CC[C@H]21	ZINC000029411295	563103260	/nfs/dbraw/zinc/10/32/60/563103260.db2.gz	KYMJWJCKOMPUHJ-XRKIENNPSA-N	1	0	450.583	4.925	1	5	aggregator	JJBFRO
COc1cc(-n2cnc3cc(-c4ccc([N+](=O)[O-])cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000040567115	563145953	/nfs/dbraw/zinc/14/59/53/563145953.db2.gz	IBXJGIQBCPHCPS-UHFFFAOYSA-N	1	0	492.557	4.506	1	5		JJBFRO
CCC[NH2+]Cc1ccc(-c2ccc(CN(CCOC)C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)nc1	ZINC000045230110	563181060	/nfs/dbraw/zinc/18/10/60/563181060.db2.gz	LYDYIJLRENPPLK-UHFFFAOYSA-N	1	0	476.577	4.754	1	5		JJBFRO
COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H]([NH3+])Cc5ccc(F)cc5)c4)cc3c2cc1OC	ZINC000049089588	563201938	/nfs/dbraw/zinc/20/19/38/563201938.db2.gz	OBAJYVJLNXGBOG-LJQANCHMSA-N	1	0	499.546	4.532	1	5		JJBFRO
COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5ccc(F)cc5)c4)cc3c2cc1OC	ZINC000049089587	563201964	/nfs/dbraw/zinc/20/19/64/563201964.db2.gz	OBAJYVJLNXGBOG-IBGZPJMESA-N	1	0	499.546	4.532	1	5		JJBFRO
CCCCOc1ccc(C[N@+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)[C@@H](CO)c2ccccc2)C3)cc1	ZINC000254085946	717169757	/nfs/dbraw/zinc/16/97/57/717169757.db2.gz	ALVDDLOWVXJXCD-NSZWWNRUSA-N	1	0	452.615	4.825	1	5		JJBFRO
Cc1cccc(OCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)c1	ZINC000073164239	717134457	/nfs/dbraw/zinc/13/44/57/717134457.db2.gz	QHUHABYGKGPQMQ-SHZVQYQYSA-N	1	0	477.669	4.927	1	5		JJBFRO
C[N@+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	ZINC000261116509	717178978	/nfs/dbraw/zinc/17/89/78/717178978.db2.gz	IWVCFEIBBOTGAN-DICHSLLOSA-O	1	0	456.610	4.643	1	5		JJBFRO
CCOc1ccccc1N1CC[NH+](CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000013441313	562963360	/nfs/dbraw/zinc/96/33/60/562963360.db2.gz	QDWOSBADSCWLQX-UHFFFAOYSA-N	1	0	450.539	4.793	1	5		JJBFRO
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21	ZINC000013758045	562988917	/nfs/dbraw/zinc/98/89/17/562988917.db2.gz	XZKOBCVRTHCGDQ-QFIPXVFZSA-N	1	0	458.518	4.890	1	5		JJBFRO
C[C@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000026163088	563022933	/nfs/dbraw/zinc/02/29/33/563022933.db2.gz	QHNMWCWNYWVMDS-REWPJTCUSA-N	1	0	489.597	4.988	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1	ZINC000034315727	563113149	/nfs/dbraw/zinc/11/31/49/563113149.db2.gz	MTYMLJSBEPCLGC-SETCOJICSA-N	1	0	470.655	4.747	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21	ZINC000043121607	563167634	/nfs/dbraw/zinc/16/76/34/563167634.db2.gz	ZMGKLIJUSAOHFP-JHHOKDCISA-N	1	0	470.589	4.524	1	5		JJBFRO
C[N+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	ZINC000034802170	717124608	/nfs/dbraw/zinc/12/46/08/717124608.db2.gz	IWVCFEIBBOTGAN-RNWYOQHESA-O	1	0	456.610	4.643	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@@H]4CCO[C@@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161782	717133536	/nfs/dbraw/zinc/13/35/36/717133536.db2.gz	AIMRQTXCPBQWFD-HVDBZMNXSA-N	1	0	491.696	4.831	1	5		JJBFRO
Cc1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)cn1	ZINC000073161448	717133692	/nfs/dbraw/zinc/13/36/92/717133692.db2.gz	DCTDMLRUYBFRCL-KIKKPEDASA-N	1	0	476.685	4.876	1	5		JJBFRO
C[N@+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	ZINC000261116517	717179014	/nfs/dbraw/zinc/17/90/14/717179014.db2.gz	IWVCFEIBBOTGAN-IEWVHIKDSA-O	1	0	456.610	4.643	1	5		JJBFRO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C1C(=O)OC	ZINC000026388118	563027073	/nfs/dbraw/zinc/02/70/73/563027073.db2.gz	ATOVTJIRCNOBJZ-IAMBOQNYSA-N	1	0	451.479	4.628	1	5		JJBFRO
C[N@@H+]1CCC[C@@H]1CCNC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3	ZINC000026728358	563034068	/nfs/dbraw/zinc/03/40/68/563034068.db2.gz	WSXYBDKZFNJOTP-GOSISDBHSA-N	1	0	493.611	4.663	1	5		JJBFRO
C[NH+](C)CCNC(=O)c1cccc2c3ccccc3c(-c3ccc(I)cc3)nc12	ZINC000027873049	563052567	/nfs/dbraw/zinc/05/25/67/563052567.db2.gz	OBLNVWJMLFMULX-UHFFFAOYSA-N	1	0	495.364	4.951	1	5		JJBFRO
Cc1ccc([N+](=O)[O-])cc1O[C@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C	ZINC000028340722	563060297	/nfs/dbraw/zinc/06/02/97/563060297.db2.gz	JRFQTIHUIBASJA-HSZRJFAPSA-N	1	0	452.555	4.677	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1	ZINC000043060399	563165636	/nfs/dbraw/zinc/16/56/36/563165636.db2.gz	VUHTYJDJRISPLZ-OTBAGVBSSA-N	1	0	484.663	4.667	1	5		JJBFRO
C[N+](C)(C)CCCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O	ZINC000002007859	562924465	/nfs/dbraw/zinc/92/44/65/562924465.db2.gz	YVWHFVWUBKUSOG-UHFFFAOYSA-N	1	0	498.909	4.616	1	5		JJBFRO
O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NCC[NH+]1CCCCC1	ZINC000026726354	563033987	/nfs/dbraw/zinc/03/39/87/563033987.db2.gz	ZFNQOYBHHLGQDV-UHFFFAOYSA-N	1	0	493.611	4.665	1	5		JJBFRO
Cc1cc2c(cc1C(=O)N1CCN(c3ccccc3)CC1)[n+](=O)c1cc(Cl)c(Cl)cc1n2O	ZINC000027299551	563042364	/nfs/dbraw/zinc/04/23/64/563042364.db2.gz	HUTKCBVTFIQFII-UHFFFAOYSA-N	1	0	484.363	4.524	1	5		JJBFRO
Cc1ccc([N+](=O)[O-])c(O[C@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1	ZINC000028334052	563059797	/nfs/dbraw/zinc/05/97/97/563059797.db2.gz	ZUZLFJYQRAAUJT-HSZRJFAPSA-N	1	0	452.555	4.677	1	5		JJBFRO
CN1C(=O)c2c3c4ccccc4n(CC[NH+]4CCOCC4)c3c3cc4ccccc4cc3c2C1=O	ZINC000028521598	563066450	/nfs/dbraw/zinc/06/64/50/563066450.db2.gz	QEEPWUZHNZGFLM-UHFFFAOYSA-N	1	0	463.537	4.659	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)c1ccccc1	ZINC000043022520	563165111	/nfs/dbraw/zinc/16/51/11/563165111.db2.gz	PMSLDIHTDBABLG-YMVIPVGISA-N	1	0	478.634	4.605	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3F)CCC1CC2)(c1cccs1)N1CCCCC1	ZINC000068197060	717133023	/nfs/dbraw/zinc/13/30/23/717133023.db2.gz	RAWSDFNXZQJMDA-XRFQPOIASA-N	1	0	471.662	4.983	1	5		JJBFRO
O=[N+]([O-])c1ccc2c(c1)c(NC1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)nn2Cc1ccccc1	ZINC000028529515	563068443	/nfs/dbraw/zinc/06/84/43/563068443.db2.gz	QUYAYKFWXNRNJW-UHFFFAOYSA-N	1	0	485.544	4.798	1	5		JJBFRO
O=[N+]([O-])c1ccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1	ZINC000029130334	563096944	/nfs/dbraw/zinc/09/69/44/563096944.db2.gz	GAZWSWILMZGARP-UHFFFAOYSA-N	1	0	450.478	4.698	1	5		JJBFRO
C[N@@H+](CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21	ZINC000040874093	563151901	/nfs/dbraw/zinc/15/19/01/563151901.db2.gz	OZZXZQHWEXYLEZ-UHFFFAOYSA-N	1	0	484.600	4.768	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1	ZINC000043023050	563165212	/nfs/dbraw/zinc/16/52/12/563165212.db2.gz	NVEZMQGUUUDQFV-QZLZOZNSSA-N	1	0	472.605	4.544	1	5		JJBFRO
COc1ccc2c(c1OC)[C@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2	ZINC000043120378	563167459	/nfs/dbraw/zinc/16/74/59/563167459.db2.gz	DOHPOTFCTOJIQG-VPESPYTFSA-N	1	0	485.648	4.569	1	5		JJBFRO
O=C(c1c2ccccc2cc2ccccc21)N1CC[NH+](C2CCN(C(=O)C3CCCC3)CC2)CC1	ZINC000049033438	563198226	/nfs/dbraw/zinc/19/82/26/563198226.db2.gz	UHKVJBXGKOUYSF-UHFFFAOYSA-N	1	0	469.629	4.932	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(F)c3)CCC1CC2)(c1cccs1)N1CCCCC1	ZINC000073161195	717133887	/nfs/dbraw/zinc/13/38/87/717133887.db2.gz	MZAVVLWULQNHMR-XRFQPOIASA-N	1	0	471.662	4.983	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCOCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073167192	717134384	/nfs/dbraw/zinc/13/43/84/717134384.db2.gz	RUOCWECVFHBXNS-QKZQWPARSA-N	1	0	491.696	4.799	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073167001	717134412	/nfs/dbraw/zinc/13/44/12/717134412.db2.gz	OBJDKIORAOGSLE-NAZCUKFVSA-N	1	0	463.642	4.619	1	5		JJBFRO
CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2C[C@H](OC(=O)[C@@H](CO)c2ccccc2)C3)cc1	ZINC000100377789	717143279	/nfs/dbraw/zinc/14/32/79/717143279.db2.gz	ALVDDLOWVXJXCD-FNOCBZAHSA-N	1	0	452.615	4.825	1	5	in-man	JJBFRO
O=C1C[C@@H]2OCC=C3C[N@@+]4(Cc5ccc6ccccc6c5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64	ZINC000253793506	717168761	/nfs/dbraw/zinc/16/87/61/717168761.db2.gz	XGFSECKOYNLTFU-CHVHMVEWSA-N	1	0	475.612	4.961	1	5		JJBFRO
COc1ccc2[nH]c3c(c2c1)c1c(c2c4cc(OC)ccc4n(CCC[NH+](C)C)c32)CNC1=O	ZINC000014944017	563006505	/nfs/dbraw/zinc/00/65/05/563006505.db2.gz	TZAHMEHTLQVSPK-UHFFFAOYSA-N	1	0	456.546	4.641	1	5		JJBFRO
O=C1NC(=O)c2c1c1c3ccc(C[NH+]4CCSCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3	ZINC000014945591	563006691	/nfs/dbraw/zinc/00/66/91/563006691.db2.gz	CYKPPNRVHKJXHI-UHFFFAOYSA-N	1	0	480.593	4.808	1	5		JJBFRO
CC(C)c1ccc2nc3ccc(C(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)cn3c(=O)c2c1	ZINC000029396708	563102233	/nfs/dbraw/zinc/10/22/33/563102233.db2.gz	AFVYWZFHAIJPEL-UHFFFAOYSA-N	1	0	482.628	4.656	1	5		JJBFRO
O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c(OCC[C@@H]2CCCC[NH2+]2)c1-c1cccc([N+](=O)[O-])c1	ZINC000029415270	563103569	/nfs/dbraw/zinc/10/35/69/563103569.db2.gz	UHECQQOCZFEBTH-AWEZNQCLSA-N	1	0	472.885	4.988	1	5		JJBFRO
O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c(OCC[C@H]2CCCC[NH2+]2)c1-c1cccc([N+](=O)[O-])c1	ZINC000029415272	563103585	/nfs/dbraw/zinc/10/35/85/563103585.db2.gz	UHECQQOCZFEBTH-CQSZACIVSA-N	1	0	472.885	4.988	1	5		JJBFRO
C[N@@+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	ZINC000261116514	717178951	/nfs/dbraw/zinc/17/89/51/717178951.db2.gz	IWVCFEIBBOTGAN-HVIPQOSHSA-O	1	0	456.610	4.643	1	5		JJBFRO
COc1ccc2c(c1)n(CC[NH+]1CCCCC1)c1c2c2c(c3c4c(ccn4C)ccc13)C(=O)NC2=O	ZINC000013535079	562972544	/nfs/dbraw/zinc/97/25/44/562972544.db2.gz	MXWSOFYDGPJSQA-UHFFFAOYSA-N	1	0	480.568	4.818	1	5		JJBFRO
O=C(c1c2ccccc2cc2ccccc21)N1CC[NH+](C2CCN(C(=O)N3CCCCC3)CC2)CC1	ZINC000049067954	563200877	/nfs/dbraw/zinc/20/08/77/563200877.db2.gz	AJIYJPXBZLJLMQ-UHFFFAOYSA-N	1	0	484.644	4.821	1	5		JJBFRO
CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2CC(OC(=O)[C@@H](CO)c2ccccc2)C3)cc1	ZINC000015848216	717112335	/nfs/dbraw/zinc/11/23/35/717112335.db2.gz	ALVDDLOWVXJXCD-FFKPWKSBSA-N	1	0	452.615	4.825	1	5		JJBFRO
CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1	ZINC000064750315	717132525	/nfs/dbraw/zinc/13/25/25/717132525.db2.gz	BGYGTFLXULVZBZ-QHCPKHFHSA-O	1	0	464.671	4.907	1	5		JJBFRO
CCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1	ZINC000064750318	717132612	/nfs/dbraw/zinc/13/26/12/717132612.db2.gz	BGYGTFLXULVZBZ-HSZRJFAPSA-O	1	0	464.671	4.907	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073164228	717134076	/nfs/dbraw/zinc/13/40/76/717134076.db2.gz	NOIIZVLZESZXLC-BNAAVTMESA-N	1	0	481.632	4.758	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073167188	717134438	/nfs/dbraw/zinc/13/44/38/717134438.db2.gz	DVXMXOBIXWVEAN-GFDKVKMOSA-N	1	0	477.669	4.757	1	5		JJBFRO
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]4CO4)CCC[C@]3(C)[C@H]2CC1	ZINC000299841357	717181374	/nfs/dbraw/zinc/18/13/74/717181374.db2.gz	ZJYYTABHXNZXLL-NQESLZPDSA-N	1	0	460.679	4.501	1	5		JJBFRO
C[NH+](C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000013726504	562984958	/nfs/dbraw/zinc/98/49/58/562984958.db2.gz	NMIVJPRSJCLQCG-UHFFFAOYSA-N	1	0	486.554	4.510	1	5		JJBFRO
O=C(NC(=S)NCCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)oc1ccccc1c2=O	ZINC000013734756	562985812	/nfs/dbraw/zinc/98/58/12/562985812.db2.gz	CSCCLEWYKCMFHL-UHFFFAOYSA-N	1	0	499.636	4.853	1	5		JJBFRO
C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000026163074	563022887	/nfs/dbraw/zinc/02/28/87/563022887.db2.gz	QHNMWCWNYWVMDS-NZQKXSOJSA-N	1	0	489.597	4.988	1	5		JJBFRO
Cc1ccc([N+](=O)[O-])c(O[C@@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1	ZINC000028334059	563059828	/nfs/dbraw/zinc/05/98/28/563059828.db2.gz	ZUZLFJYQRAAUJT-QHCPKHFHSA-N	1	0	452.555	4.677	1	5		JJBFRO
C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)OC4	ZINC000029558713	563106852	/nfs/dbraw/zinc/10/68/52/563106852.db2.gz	NWWJENKFHKHQLF-FYTWVXJKSA-N	1	0	467.525	4.781	1	5		JJBFRO
C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000036476044	563130403	/nfs/dbraw/zinc/13/04/03/563130403.db2.gz	KFPHFFIKCBRUCO-UOKFIYJESA-N	1	0	453.564	4.688	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@H]4CCO[C@@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161786	717133638	/nfs/dbraw/zinc/13/36/38/717133638.db2.gz	AIMRQTXCPBQWFD-VRQOAZDQSA-N	1	0	491.696	4.831	1	5		JJBFRO
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1	ZINC000001553419	562921337	/nfs/dbraw/zinc/92/13/37/562921337.db2.gz	MTYMLJSBEPCLGC-ULIRXLGVSA-N	1	0	470.655	4.747	1	5		JJBFRO
COC(=O)c1cc2ccccc2n1CCCCCCOC(=O)Cc1ccc([N+](C)(C)C)cc1	ZINC000013524900	562971432	/nfs/dbraw/zinc/97/14/32/562971432.db2.gz	IZVWQQMPPAEHDD-UHFFFAOYSA-N	1	0	451.587	4.971	1	5		JJBFRO
CCNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1	ZINC000013781323	562992207	/nfs/dbraw/zinc/99/22/07/562992207.db2.gz	ALPCPHJLBPNALD-UHFFFAOYSA-N	1	0	460.530	4.955	1	5		JJBFRO
COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc([N+](=O)[O-])o4)cc3)sc2cc1OC	ZINC000013818104	562996935	/nfs/dbraw/zinc/99/69/35/562996935.db2.gz	PIUDKWKHYCTTMB-UHFFFAOYSA-N	1	0	453.496	4.571	1	5		JJBFRO
Cc1ccc([N+](=O)[O-])cc1O[C@@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C	ZINC000028340728	563060306	/nfs/dbraw/zinc/06/03/06/563060306.db2.gz	JRFQTIHUIBASJA-QHCPKHFHSA-N	1	0	452.555	4.677	1	5		JJBFRO
C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1	ZINC000034802185	717124763	/nfs/dbraw/zinc/12/47/63/717124763.db2.gz	QTWQZQOULZVQSB-UOQVMRJOSA-O	1	0	462.564	4.695	1	5		JJBFRO
CCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064560319	717132380	/nfs/dbraw/zinc/13/23/80/717132380.db2.gz	SMQRNIUHTYOXCK-JOCHJYFZSA-O	1	0	450.644	4.517	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(F)c3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161192	717133808	/nfs/dbraw/zinc/13/38/08/717133808.db2.gz	ACGBRZCIFNWBLV-NNMXADRKSA-N	1	0	465.633	4.922	1	5		JJBFRO
C[N@@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1	ZINC000253684813	717167721	/nfs/dbraw/zinc/16/77/21/717167721.db2.gz	QTWQZQOULZVQSB-UTONBFNKSA-O	1	0	462.564	4.695	1	5		JJBFRO
COC(=O)[C@H](CCCC[NH3+])N(Cc1ccc(OCc2ccccc2)cc1)Cc1cccc([N+](=O)[O-])c1	ZINC000026153472	563022520	/nfs/dbraw/zinc/02/25/20/563022520.db2.gz	RKOBLFPWCFLASS-MHZLTWQESA-N	1	0	491.588	4.847	1	5		JJBFRO
CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1	ZINC000026506131	563029439	/nfs/dbraw/zinc/02/94/39/563029439.db2.gz	NFEXJIDMMMPCSF-UHFFFAOYSA-N	1	0	479.556	4.673	1	5		JJBFRO
COc1cc2c3cnc4cc5c(cc4c3n(CC[NH+](C(C)C)C(C)C)c(=O)c2cc1OC)OCO5	ZINC000028520492	563066255	/nfs/dbraw/zinc/06/62/55/563066255.db2.gz	WRLXHIZGVQVVSV-UHFFFAOYSA-N	1	0	477.561	4.568	1	5		JJBFRO
C[C@]([NH3+])(CO)CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000028565088	563069298	/nfs/dbraw/zinc/06/92/98/563069298.db2.gz	PGAPESPTQZIQPT-RUZDIDTESA-N	1	0	485.585	4.605	1	5		JJBFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc1)CC2	ZINC000040914800	563155307	/nfs/dbraw/zinc/15/53/07/563155307.db2.gz	VFBAMLGLZJGKAV-FMIVXFBMSA-N	1	0	487.556	4.865	1	5		JJBFRO
Cc1cc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)ccn1	ZINC000068197045	717133118	/nfs/dbraw/zinc/13/31/18/717133118.db2.gz	DYBHRYASVPRHCT-KIKKPEDASA-N	1	0	476.685	4.876	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@H]4CCO[C@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161794	717133827	/nfs/dbraw/zinc/13/38/27/717133827.db2.gz	AIMRQTXCPBQWFD-VSAZJDDISA-N	1	0	491.696	4.831	1	5		JJBFRO
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C[C@@H]4CO4)CCC[C@]3(C)[C@H]2CC1	ZINC000299841358	717181215	/nfs/dbraw/zinc/18/12/15/717181215.db2.gz	ZJYYTABHXNZXLL-PGEUBYEWSA-N	1	0	460.679	4.501	1	5		JJBFRO
COc1cc2c3cnc4cc5c(cc4c3n(CC[N@H+](C)Cc3ccccc3)c(=O)c2cc1OC)OCO5	ZINC000028520528	563066214	/nfs/dbraw/zinc/06/62/14/563066214.db2.gz	VSRFWSKODMQGLJ-UHFFFAOYSA-N	1	0	497.551	4.581	1	5		JJBFRO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000036476043	563130424	/nfs/dbraw/zinc/13/04/24/563130424.db2.gz	KFPHFFIKCBRUCO-PKKBDPGCSA-N	1	0	453.564	4.688	1	5		JJBFRO
CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1	ZINC000064560317	717132403	/nfs/dbraw/zinc/13/24/03/717132403.db2.gz	SMQRNIUHTYOXCK-QFIPXVFZSA-O	1	0	450.644	4.517	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161627	717133606	/nfs/dbraw/zinc/13/36/06/717133606.db2.gz	NZBUIVFAQJILBU-NGWQEONKSA-N	1	0	462.658	4.568	1	5		JJBFRO
C[N@@+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	ZINC000261116521	717178872	/nfs/dbraw/zinc/17/88/72/717178872.db2.gz	IWVCFEIBBOTGAN-XYFQYJLHSA-O	1	0	456.610	4.643	1	5		JJBFRO
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@H]4CO4)CCC[C@]3(C)[C@H]2CC1	ZINC000299841356	717181271	/nfs/dbraw/zinc/18/12/71/717181271.db2.gz	ZJYYTABHXNZXLL-DHVVOBKPSA-N	1	0	460.679	4.501	1	5		JJBFRO
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C[C@H]4CO4)CCC[C@]3(C)[C@H]2CC1	ZINC000299841359	717181365	/nfs/dbraw/zinc/18/13/65/717181365.db2.gz	ZJYYTABHXNZXLL-PPWHXMARSA-N	1	0	460.679	4.501	1	5		JJBFRO
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@+]1(C)CC1CC1)[C@H]2O5	ZINC000473183379	717182868	/nfs/dbraw/zinc/18/28/68/717182868.db2.gz	VTGIBPDRGIZMNY-TYCLRHCUSA-O	1	0	492.636	4.571	1	5		JJBFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc1)CC2	ZINC000040913976	563155130	/nfs/dbraw/zinc/15/51/30/563155130.db2.gz	GAVZNCJRMXEVRP-UHFFFAOYSA-N	1	0	476.533	4.857	1	5		JJBFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc1)CC2	ZINC000040913974	563155133	/nfs/dbraw/zinc/15/51/33/563155133.db2.gz	FVRYHYDWSRRHJD-UHFFFAOYSA-N	1	0	476.533	4.857	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@@H]4CCO[C@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1	ZINC000073161791	717133497	/nfs/dbraw/zinc/13/34/97/717133497.db2.gz	AIMRQTXCPBQWFD-SGPASRQYSA-N	1	0	491.696	4.831	1	5		JJBFRO
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)N1CCCCC1	ZINC000073160025	717133554	/nfs/dbraw/zinc/13/35/54/717133554.db2.gz	BBIBFZJMAOWDKQ-FXIXRJGSSA-N	1	0	453.672	4.844	1	5		JJBFRO