smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@H](C)O1	ZINC000000857458	551550746	/nfs/dbraw/zinc/55/07/46/551550746.db2.gz	YRCROUKEBKDVAT-XLAORIBOSA-N	-1	0	549.671	2.489	50	30		KEEARM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)[N-]C2=S)cc1	ZINC000002177519	551783712	/nfs/dbraw/zinc/78/37/12/551783712.db2.gz	IRVCWHPYPQCVOZ-CPNJWEJPSA-N	-1	0	502.574	2.185	50	30		KEEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21	ZINC000002571536	552130384	/nfs/dbraw/zinc/13/03/84/552130384.db2.gz	LTHAYVRJWBEWNN-KEYYUXOJSA-N	-1	0	548.861	2.157	50	30		KEEARM
C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc2-3)C[C@H](C)O1	ZINC000004531352	552463197	/nfs/dbraw/zinc/46/31/97/552463197.db2.gz	YRCROUKEBKDVAT-USTZCAOPSA-N	-1	0	549.671	2.489	50	30		KEEARM
C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1	ZINC000004531353	552463187	/nfs/dbraw/zinc/46/31/87/552463187.db2.gz	YRCROUKEBKDVAT-TVFCKZIOSA-N	-1	0	549.671	2.489	50	30		KEEARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)nc(OC)n1	ZINC000006142699	552543996	/nfs/dbraw/zinc/54/39/96/552543996.db2.gz	AQNLNMXBXZVZQS-UHFFFAOYSA-N	-1	0	599.651	2.365	50	30		KEEARM
[O-]c1c(Br)cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br	ZINC000008716698	553128840	/nfs/dbraw/zinc/12/88/40/553128840.db2.gz	DEQCEXOUDRDCGU-SRZZPIQSSA-N	-1	0	543.220	2.221	50	30		KEEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000008789029	553145224	/nfs/dbraw/zinc/14/52/24/553145224.db2.gz	FZNFCHGHSNMDIF-MLOXMCPPSA-N	-1	0	503.592	2.343	50	30	biogenic	KEEARM
[O-]c1c(Br)cc(Br)cc1C=NN=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1	ZINC000008856909	553167800	/nfs/dbraw/zinc/16/78/00/553167800.db2.gz	NVXVHZKADYQVHC-SRZZPIQSSA-N	-1	0	543.220	2.221	50	30		KEEARM
CN(C)c1nc(=NN=Cc2cc(Br)cc(Br)c2[O-])nc(N2CCOCC2)[nH]1	ZINC000008872856	553174342	/nfs/dbraw/zinc/17/43/42/553174342.db2.gz	PGGTURVCBCTFJH-DJKKODMXSA-N	-1	0	501.183	2.451	50	30		KEEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1I	ZINC000009446394	553265508	/nfs/dbraw/zinc/26/55/08/553265508.db2.gz	JJEHWXOAIUJGGF-BFESSNOMSA-N	-1	0	508.359	2.148	50	30		KEEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1I	ZINC000009446395	553265562	/nfs/dbraw/zinc/26/55/62/553265562.db2.gz	JJEHWXOAIUJGGF-VHLXVWNNSA-N	-1	0	508.359	2.148	50	30		KEEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1I	ZINC000009446397	553265552	/nfs/dbraw/zinc/26/55/52/553265552.db2.gz	JJEHWXOAIUJGGF-YHCMSDNUSA-N	-1	0	508.359	2.148	50	30		KEEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1I	ZINC000009446398	553265541	/nfs/dbraw/zinc/26/55/41/553265541.db2.gz	JJEHWXOAIUJGGF-VLCBPTRESA-N	-1	0	508.359	2.148	50	30		KEEARM
CCOc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)ccc1OS(=O)(=O)c1ccc(OC)cc1	ZINC000012285223	553356571	/nfs/dbraw/zinc/35/65/71/553356571.db2.gz	POFCRJXIWCCDIW-FNLSEGDXSA-N	-1	0	507.546	2.258	50	30		KEEARM
CCOc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)ccc1OS(=O)(=O)c1ccc(OC)cc1	ZINC000012285224	553356575	/nfs/dbraw/zinc/35/65/75/553356575.db2.gz	POFCRJXIWCCDIW-YPKZHZFPSA-N	-1	0	507.546	2.258	50	30		KEEARM
COc1cc(C)c(S(=O)(=O)N=C(N)NCCC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(C)c1C	ZINC000015721264	553534718	/nfs/dbraw/zinc/53/47/18/553534718.db2.gz	IOFMCETTZAVTLP-IBGZPJMESA-N	-1	0	520.608	2.373	50	30		KEEARM
COc1nc(N=NCc2cc(Br)c([O-])c(Br)c2O)nc(N2CCOCC2)n1	ZINC000016248175	553557697	/nfs/dbraw/zinc/55/76/97/553557697.db2.gz	NPDYVTMASXOJQV-CNHKJKLMSA-N	-1	0	504.139	2.099	50	30		KEEARM
COc1cc([N+](=O)[O-])cc(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)c1[O-]	ZINC000016322851	553560328	/nfs/dbraw/zinc/56/03/28/553560328.db2.gz	CTTZROXZSMSCQP-YDZHTSKRSA-N	-1	0	503.537	2.399	50	30		KEEARM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020309394	553636681	/nfs/dbraw/zinc/63/66/81/553636681.db2.gz	KGGTZUAOJYFBHJ-QHCPKHFHSA-N	-1	0	510.543	2.488	50	30		KEEARM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020309396	553636791	/nfs/dbraw/zinc/63/67/91/553636791.db2.gz	KGGTZUAOJYFBHJ-HSZRJFAPSA-N	-1	0	510.543	2.488	50	30		KEEARM
COc1nc(N=NCc2cc(Br)c([O-])c(Br)c2O)nc(N2CCOCC2)n1	ZINC000027500055	553826387	/nfs/dbraw/zinc/82/63/87/553826387.db2.gz	NPDYVTMASXOJQV-WSVATBPTSA-N	-1	0	504.139	2.099	50	30		KEEARM
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)ccc2-3)CC1	ZINC000033353140	553923452	/nfs/dbraw/zinc/92/34/52/553923452.db2.gz	VLWRTCZATOGVTO-UHFFFAOYSA-N	-1	0	679.733	2.373	50	30		KEEARM
C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1	ZINC000033353766	553926724	/nfs/dbraw/zinc/92/67/24/553926724.db2.gz	YRCROUKEBKDVAT-BALXVJCKSA-N	-1	0	549.671	2.489	50	30		KEEARM
CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl	ZINC000034638595	553981721	/nfs/dbraw/zinc/98/17/21/553981721.db2.gz	GNHDVXLWBQYPJE-UHFFFAOYSA-N	-1	0	500.858	2.237	50	30		KEEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000038144912	554266463	/nfs/dbraw/zinc/26/64/63/554266463.db2.gz	ZRPCKLCAFOLTCA-IJJOSXPWSA-N	-1	0	591.723	2.211	50	30	biogenic	KEEARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NCCN2CCOCC2)ccc1N1CCOCC1	ZINC000038146210	554269535	/nfs/dbraw/zinc/26/95/35/554269535.db2.gz	LYXDCHMCQXLWGP-UHFFFAOYSA-N	-1	0	535.692	2.363	50	30	aggregator	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000070691948	553608800	/nfs/dbraw/zinc/60/88/00/553608800.db2.gz	BAYQCOHYDZEZIK-RRVSIJTPSA-N	-1	0	625.715	2.416	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000070691951	553608813	/nfs/dbraw/zinc/60/88/13/553608813.db2.gz	BAYQCOHYDZEZIK-NQFLDKDMSA-N	-1	0	625.715	2.416	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000070691955	553608762	/nfs/dbraw/zinc/60/87/62/553608762.db2.gz	BAYQCOHYDZEZIK-FLBCVIDLSA-N	-1	0	625.715	2.416	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000070691957	553608853	/nfs/dbraw/zinc/60/88/53/553608853.db2.gz	BAYQCOHYDZEZIK-RLQZKUMVSA-N	-1	0	625.715	2.416	50	30	biogenic	KEEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000070692046	553609145	/nfs/dbraw/zinc/60/91/45/553609145.db2.gz	RUEIZZQOIROXMJ-UNJDHERGSA-N	-1	0	559.656	2.188	50	30	biogenic	KEEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000070692047	553609133	/nfs/dbraw/zinc/60/91/33/553609133.db2.gz	RUEIZZQOIROXMJ-HZPAFZDVSA-N	-1	0	559.656	2.188	50	30	biogenic	KEEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000070692049	553609137	/nfs/dbraw/zinc/60/91/37/553609137.db2.gz	RUEIZZQOIROXMJ-WJYXFGFGSA-N	-1	0	559.656	2.188	50	30	biogenic	KEEARM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000070692051	553609129	/nfs/dbraw/zinc/60/91/29/553609129.db2.gz	RUEIZZQOIROXMJ-RHOJELAISA-N	-1	0	559.656	2.188	50	30	biogenic	KEEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@@H](CO)C(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692070	553609286	/nfs/dbraw/zinc/60/92/86/553609286.db2.gz	BKCAFXZIJWHGQX-QTZYLBDCSA-N	-1	0	575.655	2.274	50	30	biogenic	KEEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692071	553609297	/nfs/dbraw/zinc/60/92/97/553609297.db2.gz	BKCAFXZIJWHGQX-TVOMAKTOSA-N	-1	0	575.655	2.274	50	30	biogenic	KEEARM
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000070692095	553609341	/nfs/dbraw/zinc/60/93/41/553609341.db2.gz	SYJFEZXIMZBLMC-NVOBEZFVSA-N	-1	0	547.645	2.092	50	30	biogenic	KEEARM
C[C@@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000070692096	553609350	/nfs/dbraw/zinc/60/93/50/553609350.db2.gz	SYJFEZXIMZBLMC-XFSOYFLGSA-N	-1	0	547.645	2.092	50	30	biogenic	KEEARM
C[C@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000070692097	553609369	/nfs/dbraw/zinc/60/93/69/553609369.db2.gz	SYJFEZXIMZBLMC-OIAMRLAASA-N	-1	0	547.645	2.092	50	30	biogenic	KEEARM
C[C@@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-]	ZINC000070692098	553609648	/nfs/dbraw/zinc/60/96/48/553609648.db2.gz	SYJFEZXIMZBLMC-AKWGALKZSA-N	-1	0	547.645	2.092	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000070692107	553609637	/nfs/dbraw/zinc/60/96/37/553609637.db2.gz	PVRFIZPFOOFSKA-RRVSIJTPSA-N	-1	0	623.699	2.192	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000070692108	553609620	/nfs/dbraw/zinc/60/96/20/553609620.db2.gz	PVRFIZPFOOFSKA-NQFLDKDMSA-N	-1	0	623.699	2.192	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000070692109	553609598	/nfs/dbraw/zinc/60/95/98/553609598.db2.gz	PVRFIZPFOOFSKA-FLBCVIDLSA-N	-1	0	623.699	2.192	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000070692110	553609622	/nfs/dbraw/zinc/60/96/22/553609622.db2.gz	PVRFIZPFOOFSKA-RLQZKUMVSA-N	-1	0	623.699	2.192	50	30	biogenic	KEEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000070692160	553609808	/nfs/dbraw/zinc/60/98/08/553609808.db2.gz	GIZFZIKMEJJING-IVUFXSTKSA-N	-1	0	557.640	2.397	50	30	biogenic	KEEARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070692161	553609848	/nfs/dbraw/zinc/60/98/48/553609848.db2.gz	GIZFZIKMEJJING-JHXKAMGPSA-N	-1	0	557.640	2.397	50	30	biogenic	KEEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692163	553609829	/nfs/dbraw/zinc/60/98/29/553609829.db2.gz	JMHBPDMXNPKEIY-IJJOSXPWSA-N	-1	0	593.739	2.435	50	30	biogenic	KEEARM
CSCC[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692164	553609859	/nfs/dbraw/zinc/60/98/59/553609859.db2.gz	JMHBPDMXNPKEIY-VUEPXDBOSA-N	-1	0	593.739	2.435	50	30	biogenic	KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692179	553609853	/nfs/dbraw/zinc/60/98/53/553609853.db2.gz	LNEUAHGGGCFWPJ-YEIMIPKBSA-N	-1	0	561.672	2.338	50	30	biogenic	KEEARM
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000070692180	553609893	/nfs/dbraw/zinc/60/98/93/553609893.db2.gz	LNEUAHGGGCFWPJ-DLEUBLRBSA-N	-1	0	561.672	2.338	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000070692231	553610277	/nfs/dbraw/zinc/61/02/77/553610277.db2.gz	OZYIJRBLAGRFLQ-VUEPXDBOSA-N	-1	0	559.656	2.188	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070692232	553610340	/nfs/dbraw/zinc/61/03/40/553610340.db2.gz	OZYIJRBLAGRFLQ-IJJOSXPWSA-N	-1	0	559.656	2.188	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000070697008	553612237	/nfs/dbraw/zinc/61/22/37/553612237.db2.gz	CWHCNVXQPZJHLP-HINYIVJSSA-N	-1	0	561.672	2.484	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000070698194	553613903	/nfs/dbraw/zinc/61/39/03/553613903.db2.gz	WLDUSSQBJHWPJZ-HINYIVJSSA-N	-1	0	559.656	2.260	50	30	biogenic	KEEARM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	ZINC000072191549	553645999	/nfs/dbraw/zinc/64/59/99/553645999.db2.gz	SLBVEISHIFRYFQ-IBGZPJMESA-N	-1	0	511.560	2.365	50	30		KEEARM
C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	ZINC000072191550	553645909	/nfs/dbraw/zinc/64/59/09/553645909.db2.gz	SLBVEISHIFRYFQ-LJQANCHMSA-N	-1	0	511.560	2.365	50	30		KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000079216791	553671304	/nfs/dbraw/zinc/67/13/04/553671304.db2.gz	IANDTMRUEFTZQG-RRVSIJTPSA-N	-1	0	670.712	2.324	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000079216795	553671295	/nfs/dbraw/zinc/67/12/95/553671295.db2.gz	IANDTMRUEFTZQG-NQFLDKDMSA-N	-1	0	670.712	2.324	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000079216798	553671261	/nfs/dbraw/zinc/67/12/61/553671261.db2.gz	IANDTMRUEFTZQG-FLBCVIDLSA-N	-1	0	670.712	2.324	50	30	biogenic	KEEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000079216800	553671229	/nfs/dbraw/zinc/67/12/29/553671229.db2.gz	IANDTMRUEFTZQG-RLQZKUMVSA-N	-1	0	670.712	2.324	50	30	biogenic	KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000079216805	553671273	/nfs/dbraw/zinc/67/12/73/553671273.db2.gz	XGPZAUVGPYBEHV-QFSAKRBOSA-N	-1	0	682.723	2.403	50	30	biogenic	KEEARM
COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000079216806	553671251	/nfs/dbraw/zinc/67/12/51/553671251.db2.gz	XGPZAUVGPYBEHV-ZIPYWAHQSA-N	-1	0	682.723	2.403	50	30	biogenic	KEEARM
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079221103	553671895	/nfs/dbraw/zinc/67/18/95/553671895.db2.gz	UPGNPFVWNGZMBG-KRKDHTOPSA-N	-1	0	646.778	2.377	50	30	biogenic	KEEARM
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079221106	553671908	/nfs/dbraw/zinc/67/19/08/553671908.db2.gz	UPGNPFVWNGZMBG-DEEAWZNHSA-N	-1	0	646.778	2.377	50	30	biogenic	KEEARM
CCCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079221110	553671910	/nfs/dbraw/zinc/67/19/10/553671910.db2.gz	UPGNPFVWNGZMBG-LIABMOPHSA-N	-1	0	646.778	2.377	50	30	biogenic	KEEARM
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000079221114	553671919	/nfs/dbraw/zinc/67/19/19/553671919.db2.gz	UPGNPFVWNGZMBG-GYWOHENXSA-N	-1	0	646.778	2.377	50	30	biogenic	KEEARM
CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=O)c3c(O)c(Cl)c(Cl)c([O-])c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000085867072	553687351	/nfs/dbraw/zinc/68/73/51/553687351.db2.gz	KDAKZYMFENBLJN-KTVRTFKKSA-N	-1	0	619.359	2.157	50	30	biogenic	KEEARM
COc1c2c(cc(CCN(C)C(=O)c3ccccc3Cl)c1C=CC(=O)c1c([O-])[nH]c(=O)n(C)c1=O)OCO2	ZINC000097968169	553928691	/nfs/dbraw/zinc/92/86/91/553928691.db2.gz	DGOUWLPBTXBXJC-CMDGGOBGSA-N	-1	0	541.944	2.381	50	30		KEEARM
COC(=O)CN(CC(=O)OC)Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(CN(CC(=O)OC)CC(=O)OC)=C2)cc(C)c1O	ZINC000097969971	553947811	/nfs/dbraw/zinc/94/78/11/553947811.db2.gz	QCZUZGPGSVSWND-GIBOGKFOSA-N	-1	0	728.773	2.001	50	30		KEEARM
C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1I	ZINC000098045127	554130910	/nfs/dbraw/zinc/13/09/10/554130910.db2.gz	LRTZSDKADJKYIP-UHFFFAOYSA-N	-1	0	524.052	2.210	50	30		KEEARM
COc1ccc(-c2c(C)c(C(=O)[O-])nc(-c3ccc4c(n3)C(=O)C(N)=C(OC)C4=O)c2N)c(O)c1OC	ZINC000100016202	554181596	/nfs/dbraw/zinc/18/15/96/554181596.db2.gz	PVYJZLYGTZKPJE-UHFFFAOYSA-N	-1	0	506.471	2.318	50	30	in-man	KEEARM
C/C(=N\N=C\c1cc(I)cc(I)c1[O-])c1nnn(-c2nonc2N)c1C	ZINC000100056648	554196538	/nfs/dbraw/zinc/19/65/38/554196538.db2.gz	IZAORTVFUQBFLK-CKVFWYFXSA-N	-1	0	578.112	2.299	50	30		KEEARM
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(C[NH2+]CC(=O)[O-])=C2)cc(C[NH2+]CC(=O)[O-])c1O	ZINC000100154360	554232586	/nfs/dbraw/zinc/23/25/86/554232586.db2.gz	KRKXJTVSUGCCBR-XIEYBQDHSA-N	-1	0	556.593	2.053	50	30		KEEARM
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21	ZINC000100910794	554517586	/nfs/dbraw/zinc/51/75/86/554517586.db2.gz	LTHAYVRJWBEWNN-GRDNDAEWSA-N	-1	0	548.861	2.157	50	30		KEEARM
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21	ZINC000100910797	554517572	/nfs/dbraw/zinc/51/75/72/554517572.db2.gz	LTHAYVRJWBEWNN-JKIFEVAISA-N	-1	0	548.861	2.157	50	30		KEEARM
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21	ZINC000100910798	554517557	/nfs/dbraw/zinc/51/75/57/554517557.db2.gz	LTHAYVRJWBEWNN-JJRVBVJISA-N	-1	0	548.861	2.157	50	30		KEEARM
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21	ZINC000100910800	554517604	/nfs/dbraw/zinc/51/76/04/554517604.db2.gz	LTHAYVRJWBEWNN-CKEIUWERSA-N	-1	0	548.861	2.157	50	30		KEEARM
O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000101126946	554646081	/nfs/dbraw/zinc/64/60/81/554646081.db2.gz	JJXLHDOGDUREHR-RRKCRQDMSA-N	-1	0	546.236	2.373	50	30		KEEARM
CC/C(C)=N\Oc1nc(NC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(N2CCOCC2)n1	ZINC000102442937	554930277	/nfs/dbraw/zinc/93/02/77/554930277.db2.gz	UYJMJHXZJFWTOP-BCHBDCPOSA-N	-1	0	562.487	2.310	50	30		KEEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C)cc1	ZINC000102884853	555114913	/nfs/dbraw/zinc/11/49/13/555114913.db2.gz	VSCJFTBUCCSDFQ-HOGKFDNTSA-N	-1	0	500.573	2.084	50	30		KEEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C)cc1	ZINC000102884855	555114869	/nfs/dbraw/zinc/11/48/69/555114869.db2.gz	VSCJFTBUCCSDFQ-MOBKVPTQSA-N	-1	0	500.573	2.084	50	30		KEEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000102891172	555126918	/nfs/dbraw/zinc/12/69/18/555126918.db2.gz	UWHZEAKCCYALMP-JBCNATCCSA-N	-1	0	520.991	2.429	50	30		KEEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000102891174	555126841	/nfs/dbraw/zinc/12/68/41/555126841.db2.gz	UWHZEAKCCYALMP-MRJHHRETSA-N	-1	0	520.991	2.429	50	30		KEEARM
O=C([O-])CCOCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21	ZINC000103640546	555460037	/nfs/dbraw/zinc/46/00/37/555460037.db2.gz	LKSAMQQFMTVPKD-UHFFFAOYSA-N	-1	0	552.624	2.371	50	30		KEEARM
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000105965107	571409604	/nfs/dbraw/zinc/40/96/04/571409604.db2.gz	VDRVTXIIMQOZPR-GZTJUZNOSA-N	-1	0	521.349	2.384	50	30		KEEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21	ZINC000106336450	571411976	/nfs/dbraw/zinc/41/19/76/571411976.db2.gz	LTHAYVRJWBEWNN-ZQIUZPCESA-N	-1	0	548.861	2.157	50	30		KEEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21	ZINC000221543658	571604145	/nfs/dbraw/zinc/60/41/45/571604145.db2.gz	LTHAYVRJWBEWNN-CPUCHLNUSA-N	-1	0	548.861	2.157	50	30		KEEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21	ZINC000221543716	571604078	/nfs/dbraw/zinc/60/40/78/571604078.db2.gz	LTHAYVRJWBEWNN-VBQJREDUSA-N	-1	0	548.861	2.157	50	30		KEEARM
[O-]c1c(Br)cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br	ZINC000252598922	572267281	/nfs/dbraw/zinc/26/72/81/572267281.db2.gz	DEQCEXOUDRDCGU-UHFFFAOYSA-N	-1	0	543.220	2.221	50	30		KEEARM
CCC(C)=NOc1nc(NC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(N2CCOCC2)n1	ZINC000252630277	572271233	/nfs/dbraw/zinc/27/12/33/572271233.db2.gz	UYJMJHXZJFWTOP-UHFFFAOYSA-N	-1	0	562.487	2.310	50	30		KEEARM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000252677994	572281283	/nfs/dbraw/zinc/28/12/83/572281283.db2.gz	CESZBWDCEVHSEC-DUKVWHCPSA-N	-1	0	517.623	2.087	50	30		KEEARM
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000252677995	572281318	/nfs/dbraw/zinc/28/13/18/572281318.db2.gz	CESZBWDCEVHSEC-WNWJMKDKSA-N	-1	0	517.623	2.087	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000252679294	572281296	/nfs/dbraw/zinc/28/12/96/572281296.db2.gz	KLVFPBQMCBMXDO-DBEWYOQPSA-N	-1	0	582.694	2.397	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000252679296	572281331	/nfs/dbraw/zinc/28/13/31/572281331.db2.gz	KLVFPBQMCBMXDO-UXLRVINKSA-N	-1	0	582.694	2.397	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NCCc3nc(C(C)C)no3)C1=O)O2	ZINC000253401831	572285352	/nfs/dbraw/zinc/28/53/52/572285352.db2.gz	FWQOFYXNBFEBBX-OEJOPCPASA-N	-1	0	538.557	2.024	50	30		KEEARM
COCCc1noc(CCCNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)n1	ZINC000253402152	572285528	/nfs/dbraw/zinc/28/55/28/572285528.db2.gz	GCKXCHKHBLNGAF-WGKDYUSESA-N	-1	0	511.531	2.363	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C1=O)O2	ZINC000253407110	572286618	/nfs/dbraw/zinc/28/66/18/572286618.db2.gz	JNYHEGUSMKHBID-YGZSYPQQSA-N	-1	0	587.629	2.356	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCn3c(=O)c(=O)[nH]c4ccccc43)C1=O)O2	ZINC000253408069	572286905	/nfs/dbraw/zinc/28/69/05/572286905.db2.gz	KJTHZOSRLPXFJK-LJVDRSMKSA-N	-1	0	531.521	2.274	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)NCc3nc(C(C)C)no3)C1=O)O2	ZINC000253408292	572286735	/nfs/dbraw/zinc/28/67/35/572286735.db2.gz	KPGWKBCYUBFWOW-OEJOPCPASA-N	-1	0	538.557	2.371	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)NCCc3nc(C(C)C)no3)C1=O)O2	ZINC000253408506	572286963	/nfs/dbraw/zinc/28/69/63/572286963.db2.gz	KUDUOTDARSYWIE-FKCOHSBYSA-N	-1	0	552.584	2.414	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NC3Cc4ccccc4C3)C1=O)O2	ZINC000253409601	572287222	/nfs/dbraw/zinc/28/72/22/572287222.db2.gz	MBZNHLXRJINRKS-UDKXPFRISA-N	-1	0	516.550	2.442	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NCc3ccc4c(c3)OCO4)C1=O)O2	ZINC000253412577	572287983	/nfs/dbraw/zinc/28/79/83/572287983.db2.gz	RKOAFELVESRKPR-PPOGSYTESA-N	-1	0	534.521	2.203	50	30		KEEARM
COc1ccc(CNC(=O)CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253412827	572288276	/nfs/dbraw/zinc/28/82/76/572288276.db2.gz	SDXJHGRWOPPZRZ-BSKIJULFSA-N	-1	0	520.538	2.483	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C1=O)O2	ZINC000253415008	572289110	/nfs/dbraw/zinc/28/91/10/572289110.db2.gz	ZJHKCDMAIUPCDN-GAQQYLEFSA-N	-1	0	573.602	2.328	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C1=O)O2	ZINC000253415009	572289193	/nfs/dbraw/zinc/28/91/93/572289193.db2.gz	ZJHKCDMAIUPCDN-WLAZQKNPSA-N	-1	0	573.602	2.328	50	30		KEEARM
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000253501545	572294777	/nfs/dbraw/zinc/29/47/77/572294777.db2.gz	CESZBWDCEVHSEC-CPMVKJJQSA-N	-1	0	517.623	2.087	50	30		KEEARM
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000253501546	572294761	/nfs/dbraw/zinc/29/47/61/572294761.db2.gz	CESZBWDCEVHSEC-ITDJLKFYSA-N	-1	0	517.623	2.087	50	30		KEEARM
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253501547	572294747	/nfs/dbraw/zinc/29/47/47/572294747.db2.gz	CESZBWDCEVHSEC-JREKFUHKSA-N	-1	0	517.623	2.087	50	30		KEEARM
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253501548	572294736	/nfs/dbraw/zinc/29/47/36/572294736.db2.gz	CESZBWDCEVHSEC-TWEDUPIDSA-N	-1	0	517.623	2.087	50	30		KEEARM
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253501558	572294728	/nfs/dbraw/zinc/29/47/28/572294728.db2.gz	FZNFCHGHSNMDIF-COVXKQJGSA-N	-1	0	503.592	2.343	50	30		KEEARM
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253501559	572294783	/nfs/dbraw/zinc/29/47/83/572294783.db2.gz	FZNFCHGHSNMDIF-SYEWCOAXSA-N	-1	0	503.592	2.343	50	30		KEEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253501560	572294772	/nfs/dbraw/zinc/29/47/72/572294772.db2.gz	FZNFCHGHSNMDIF-WWBUZBIBSA-N	-1	0	503.592	2.343	50	30		KEEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-]	ZINC000253501561	572294762	/nfs/dbraw/zinc/29/47/62/572294762.db2.gz	FZNFCHGHSNMDIF-ZOTAXUJOSA-N	-1	0	503.592	2.343	50	30		KEEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000253501738	572294851	/nfs/dbraw/zinc/29/48/51/572294851.db2.gz	GIZFZIKMEJJING-IHAIEMPPSA-N	-1	0	557.640	2.397	50	30		KEEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000253501740	572294869	/nfs/dbraw/zinc/29/48/69/572294869.db2.gz	GIZFZIKMEJJING-JLEOYSOJSA-N	-1	0	557.640	2.397	50	30		KEEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000253501741	572294850	/nfs/dbraw/zinc/29/48/50/572294850.db2.gz	GIZFZIKMEJJING-RKVCANDISA-N	-1	0	557.640	2.397	50	30		KEEARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000253501743	572294914	/nfs/dbraw/zinc/29/49/14/572294914.db2.gz	GIZFZIKMEJJING-UXLSKAJQSA-N	-1	0	557.640	2.397	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501845	572295085	/nfs/dbraw/zinc/29/50/85/572295085.db2.gz	LNEUAHGGGCFWPJ-BJAGHIRKSA-N	-1	0	561.672	2.338	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501846	572295044	/nfs/dbraw/zinc/29/50/44/572295044.db2.gz	LNEUAHGGGCFWPJ-JGTYGSIWSA-N	-1	0	561.672	2.338	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501847	572295093	/nfs/dbraw/zinc/29/50/93/572295093.db2.gz	LNEUAHGGGCFWPJ-SZPYUHLMSA-N	-1	0	561.672	2.338	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253501849	572295095	/nfs/dbraw/zinc/29/50/95/572295095.db2.gz	LNEUAHGGGCFWPJ-VJFBRNPGSA-N	-1	0	561.672	2.338	50	30		KEEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000253501984	572295241	/nfs/dbraw/zinc/29/52/41/572295241.db2.gz	RUEIZZQOIROXMJ-HRLVHCKBSA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000253501987	572295272	/nfs/dbraw/zinc/29/52/72/572295272.db2.gz	RUEIZZQOIROXMJ-JQFMCKRPSA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000253501991	572295240	/nfs/dbraw/zinc/29/52/40/572295240.db2.gz	RUEIZZQOIROXMJ-WVLPRDPISA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000253501993	572295214	/nfs/dbraw/zinc/29/52/14/572295214.db2.gz	RUEIZZQOIROXMJ-ZSUWJXKQSA-N	-1	0	559.656	2.188	50	30		KEEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-])CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253502151	572295327	/nfs/dbraw/zinc/29/53/27/572295327.db2.gz	BKCAFXZIJWHGQX-HYBRXUAYSA-N	-1	0	575.655	2.274	50	30		KEEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-])CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253502154	572295320	/nfs/dbraw/zinc/29/53/20/572295320.db2.gz	BKCAFXZIJWHGQX-KTBMGVDWSA-N	-1	0	575.655	2.274	50	30		KEEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-])CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253502157	572295331	/nfs/dbraw/zinc/29/53/31/572295331.db2.gz	BKCAFXZIJWHGQX-VBVGDMEISA-N	-1	0	575.655	2.274	50	30		KEEARM
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)[O-])CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253502159	572295277	/nfs/dbraw/zinc/29/52/77/572295277.db2.gz	BKCAFXZIJWHGQX-VLXLQRCPSA-N	-1	0	575.655	2.274	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000253502336	572295407	/nfs/dbraw/zinc/29/54/07/572295407.db2.gz	OZYIJRBLAGRFLQ-ALPZXNJCSA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000253502338	572295426	/nfs/dbraw/zinc/29/54/26/572295426.db2.gz	OZYIJRBLAGRFLQ-BTJWWPOBSA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000253502341	572295511	/nfs/dbraw/zinc/29/55/11/572295511.db2.gz	OZYIJRBLAGRFLQ-QPTCPRHPSA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000253502346	572295493	/nfs/dbraw/zinc/29/54/93/572295493.db2.gz	OZYIJRBLAGRFLQ-RKOYGILCSA-N	-1	0	559.656	2.188	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503053	572295744	/nfs/dbraw/zinc/29/57/44/572295744.db2.gz	CWHCNVXQPZJHLP-BEYGQSSWSA-N	-1	0	561.672	2.484	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503056	572295738	/nfs/dbraw/zinc/29/57/38/572295738.db2.gz	CWHCNVXQPZJHLP-GYAKOLNRSA-N	-1	0	561.672	2.484	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503058	572295747	/nfs/dbraw/zinc/29/57/47/572295747.db2.gz	CWHCNVXQPZJHLP-LFPAOERASA-N	-1	0	561.672	2.484	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503060	572295732	/nfs/dbraw/zinc/29/57/32/572295732.db2.gz	CWHCNVXQPZJHLP-OXSXQPOFSA-N	-1	0	561.672	2.484	50	30		KEEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253503197	572295819	/nfs/dbraw/zinc/29/58/19/572295819.db2.gz	JMHBPDMXNPKEIY-KZBLPJIJSA-N	-1	0	593.739	2.435	50	30		KEEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253503199	572295912	/nfs/dbraw/zinc/29/59/12/572295912.db2.gz	JMHBPDMXNPKEIY-YBDONOCMSA-N	-1	0	593.739	2.435	50	30		KEEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253503203	572295949	/nfs/dbraw/zinc/29/59/49/572295949.db2.gz	JMHBPDMXNPKEIY-YSNXFJTQSA-N	-1	0	593.739	2.435	50	30		KEEARM
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253503204	572295929	/nfs/dbraw/zinc/29/59/29/572295929.db2.gz	JMHBPDMXNPKEIY-ZCKPHKPQSA-N	-1	0	593.739	2.435	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503781	572296218	/nfs/dbraw/zinc/29/62/18/572296218.db2.gz	WLDUSSQBJHWPJZ-BEYGQSSWSA-N	-1	0	559.656	2.260	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503785	572296223	/nfs/dbraw/zinc/29/62/23/572296223.db2.gz	WLDUSSQBJHWPJZ-GYAKOLNRSA-N	-1	0	559.656	2.260	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503793	572296229	/nfs/dbraw/zinc/29/62/29/572296229.db2.gz	WLDUSSQBJHWPJZ-LFPAOERASA-N	-1	0	559.656	2.260	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)[O-]	ZINC000253503795	572296187	/nfs/dbraw/zinc/29/61/87/572296187.db2.gz	WLDUSSQBJHWPJZ-OXSXQPOFSA-N	-1	0	559.656	2.260	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CC(N)=O)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253504034	572296359	/nfs/dbraw/zinc/29/63/59/572296359.db2.gz	ABINSSSHOUBAOH-AHRCUHISSA-N	-1	0	598.741	2.272	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253504042	572296403	/nfs/dbraw/zinc/29/64/03/572296403.db2.gz	ABINSSSHOUBAOH-VDYLTRGNSA-N	-1	0	598.741	2.272	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000253504111	572296389	/nfs/dbraw/zinc/29/63/89/572296389.db2.gz	OBKXXOQKGPZOES-DFUVOJGZSA-N	-1	0	658.789	2.329	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000253504117	572296392	/nfs/dbraw/zinc/29/63/92/572296392.db2.gz	OBKXXOQKGPZOES-LXIGSTAJSA-N	-1	0	658.789	2.329	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000253504127	572296371	/nfs/dbraw/zinc/29/63/71/572296371.db2.gz	OBKXXOQKGPZOES-SLDBNUAGSA-N	-1	0	658.789	2.329	50	30		KEEARM
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000253504128	572296390	/nfs/dbraw/zinc/29/63/90/572296390.db2.gz	OBKXXOQKGPZOES-YUOCTSOVSA-N	-1	0	658.789	2.329	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000253504250	572296527	/nfs/dbraw/zinc/29/65/27/572296527.db2.gz	BAYQCOHYDZEZIK-CAYXBGHESA-N	-1	0	625.715	2.416	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000253504253	572296549	/nfs/dbraw/zinc/29/65/49/572296549.db2.gz	BAYQCOHYDZEZIK-IXTGBYPASA-N	-1	0	625.715	2.416	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000253504259	572296519	/nfs/dbraw/zinc/29/65/19/572296519.db2.gz	BAYQCOHYDZEZIK-URXAGSOOSA-N	-1	0	625.715	2.416	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000253504263	572296554	/nfs/dbraw/zinc/29/65/54/572296554.db2.gz	BAYQCOHYDZEZIK-USGIDJFZSA-N	-1	0	625.715	2.416	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253504362	572296507	/nfs/dbraw/zinc/29/65/07/572296507.db2.gz	BMCVYNOMKBSIRU-DJNJDEGESA-N	-1	0	571.715	2.389	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253504366	572296606	/nfs/dbraw/zinc/29/66/06/572296606.db2.gz	BMCVYNOMKBSIRU-HTLUQVKLSA-N	-1	0	571.715	2.389	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000253504386	572296600	/nfs/dbraw/zinc/29/66/00/572296600.db2.gz	BQOROZCHRZDSIN-CAYXBGHESA-N	-1	0	668.696	2.100	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000253504391	572296630	/nfs/dbraw/zinc/29/66/30/572296630.db2.gz	BQOROZCHRZDSIN-IXTGBYPASA-N	-1	0	668.696	2.100	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000253504398	572296628	/nfs/dbraw/zinc/29/66/28/572296628.db2.gz	BQOROZCHRZDSIN-URXAGSOOSA-N	-1	0	668.696	2.100	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000253504400	572296616	/nfs/dbraw/zinc/29/66/16/572296616.db2.gz	BQOROZCHRZDSIN-USGIDJFZSA-N	-1	0	668.696	2.100	50	30		KEEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253504452	572296611	/nfs/dbraw/zinc/29/66/11/572296611.db2.gz	CSXOSSFEQCYOIV-DQMMPMJQSA-N	-1	0	662.802	2.148	50	30		KEEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253504454	572296686	/nfs/dbraw/zinc/29/66/86/572296686.db2.gz	CSXOSSFEQCYOIV-HYCSBSHQSA-N	-1	0	662.802	2.148	50	30		KEEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253504462	572296680	/nfs/dbraw/zinc/29/66/80/572296680.db2.gz	CSXOSSFEQCYOIV-JKZLRMTMSA-N	-1	0	662.802	2.148	50	30		KEEARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)[O-]	ZINC000253504465	572296697	/nfs/dbraw/zinc/29/66/97/572296697.db2.gz	CSXOSSFEQCYOIV-LIYXYEEBSA-N	-1	0	662.802	2.148	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]3[C@@]2(C)CC1	ZINC000253506084	572297207	/nfs/dbraw/zinc/29/72/07/572297207.db2.gz	PUAPOUIPTCFMNT-CPABSNGWSA-N	-1	0	657.717	2.099	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	ZINC000253506086	572297210	/nfs/dbraw/zinc/29/72/10/572297210.db2.gz	PUAPOUIPTCFMNT-FMYUBAGYSA-N	-1	0	657.717	2.099	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	ZINC000253506087	572297193	/nfs/dbraw/zinc/29/71/93/572297193.db2.gz	PUAPOUIPTCFMNT-RQMQMVEHSA-N	-1	0	657.717	2.099	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@H]3[C@@]2(C)CC1	ZINC000253506090	572297199	/nfs/dbraw/zinc/29/71/99/572297199.db2.gz	PUAPOUIPTCFMNT-URYFDLLESA-N	-1	0	657.717	2.099	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000253506091	572297216	/nfs/dbraw/zinc/29/72/16/572297216.db2.gz	PVRFIZPFOOFSKA-CAYXBGHESA-N	-1	0	623.699	2.192	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000253506093	572297245	/nfs/dbraw/zinc/29/72/45/572297245.db2.gz	PVRFIZPFOOFSKA-IXTGBYPASA-N	-1	0	623.699	2.192	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000253506097	572297198	/nfs/dbraw/zinc/29/71/98/572297198.db2.gz	PVRFIZPFOOFSKA-URXAGSOOSA-N	-1	0	623.699	2.192	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000253506099	572297195	/nfs/dbraw/zinc/29/71/95/572297195.db2.gz	PVRFIZPFOOFSKA-USGIDJFZSA-N	-1	0	623.699	2.192	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000253506767	572297539	/nfs/dbraw/zinc/29/75/39/572297539.db2.gz	XGPZAUVGPYBEHV-JGOOJQLSSA-N	-1	0	682.723	2.403	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	ZINC000253506770	572297577	/nfs/dbraw/zinc/29/75/77/572297577.db2.gz	XGPZAUVGPYBEHV-RCHHALAJSA-N	-1	0	682.723	2.403	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C	ZINC000253506772	572297503	/nfs/dbraw/zinc/29/75/03/572297503.db2.gz	XGPZAUVGPYBEHV-UZTRSHFNSA-N	-1	0	682.723	2.403	50	30		KEEARM
COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C	ZINC000253506776	572297499	/nfs/dbraw/zinc/29/74/99/572297499.db2.gz	XGPZAUVGPYBEHV-VZKKDGTKSA-N	-1	0	682.723	2.403	50	30		KEEARM
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C)C(=O)N[C@H](CCSC)C(=O)[O-])CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C	ZINC000253522787	572297846	/nfs/dbraw/zinc/29/78/46/572297846.db2.gz	ROTCNZAVWSFMFU-MBIZSJFNSA-N	-1	0	603.782	2.484	50	30		KEEARM
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C)C(=O)N[C@H](CCSC)C(=O)[O-])CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	ZINC000253522788	572297820	/nfs/dbraw/zinc/29/78/20/572297820.db2.gz	ROTCNZAVWSFMFU-MIVMXKHZSA-N	-1	0	603.782	2.484	50	30		KEEARM
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C)C(=O)N[C@H](CCSC)C(=O)[O-])CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C	ZINC000253522789	572297833	/nfs/dbraw/zinc/29/78/33/572297833.db2.gz	ROTCNZAVWSFMFU-SHOQFRFMSA-N	-1	0	603.782	2.484	50	30		KEEARM
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C)C(=O)N[C@H](CCSC)C(=O)[O-])CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	ZINC000253522790	572297790	/nfs/dbraw/zinc/29/77/90/572297790.db2.gz	ROTCNZAVWSFMFU-XOWVJOIISA-N	-1	0	603.782	2.484	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253533147	572299215	/nfs/dbraw/zinc/29/92/15/572299215.db2.gz	BMCVYNOMKBSIRU-AZMOIZDGSA-N	-1	0	571.715	2.389	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253533151	572299339	/nfs/dbraw/zinc/29/93/39/572299339.db2.gz	BMCVYNOMKBSIRU-MKNWDCNISA-N	-1	0	571.715	2.389	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253533154	195477077	/nfs/dbraw/zinc/47/70/77/195477077.db2.gz	BMCVYNOMKBSIRU-NASMGWOSSA-N	-1	0	571.715	2.389	50	30		KEEARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253533156	572299345	/nfs/dbraw/zinc/29/93/45/572299345.db2.gz	BMCVYNOMKBSIRU-YLGKRBGFSA-N	-1	0	571.715	2.389	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000253533424	195477743	/nfs/dbraw/zinc/47/77/43/195477743.db2.gz	KLVFPBQMCBMXDO-IIQDWXCRSA-N	-1	0	582.694	2.397	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=NOCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000253533426	572299426	/nfs/dbraw/zinc/29/94/26/572299426.db2.gz	KLVFPBQMCBMXDO-JNKKLJNFSA-N	-1	0	582.694	2.397	50	30		KEEARM
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533914	572299689	/nfs/dbraw/zinc/29/96/89/572299689.db2.gz	UPGNPFVWNGZMBG-DWLIJHCMSA-N	-1	0	646.778	2.377	50	30		KEEARM
CCCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533916	572299729	/nfs/dbraw/zinc/29/97/29/572299729.db2.gz	UPGNPFVWNGZMBG-JNCOQLFTSA-N	-1	0	646.778	2.377	50	30		KEEARM
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533919	572299716	/nfs/dbraw/zinc/29/97/16/572299716.db2.gz	UPGNPFVWNGZMBG-QPNNOESFSA-N	-1	0	646.778	2.377	50	30		KEEARM
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-]	ZINC000253533924	572299717	/nfs/dbraw/zinc/29/97/17/572299717.db2.gz	UPGNPFVWNGZMBG-WGHZAIIXSA-N	-1	0	646.778	2.377	50	30		KEEARM
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253534013	572299801	/nfs/dbraw/zinc/29/98/01/572299801.db2.gz	WHWHVMRMOGUQKX-BZAYBQPMSA-N	-1	0	531.650	2.477	50	30		KEEARM
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253534014	572299811	/nfs/dbraw/zinc/29/98/11/572299811.db2.gz	WHWHVMRMOGUQKX-JRWUSWJMSA-N	-1	0	531.650	2.477	50	30		KEEARM
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253534016	572299778	/nfs/dbraw/zinc/29/97/78/572299778.db2.gz	WHWHVMRMOGUQKX-KPVDEYJISA-N	-1	0	531.650	2.477	50	30		KEEARM
CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253534019	572299777	/nfs/dbraw/zinc/29/97/77/572299777.db2.gz	WHWHVMRMOGUQKX-RMSHUZDESA-N	-1	0	531.650	2.477	50	30		KEEARM
COc1ccc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)c(C(=O)[O-])c1OC	ZINC000254499665	1066422536	/nfs/dbraw/zinc/42/25/36/1066422536.db2.gz	ZRNFULZJRMKXGF-UHFFFAOYSA-N	-1	0	520.546	2.228	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000257360799	572322209	/nfs/dbraw/zinc/32/22/09/572322209.db2.gz	IANDTMRUEFTZQG-CAYXBGHESA-N	-1	0	670.712	2.324	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000257360800	572322197	/nfs/dbraw/zinc/32/21/97/572322197.db2.gz	IANDTMRUEFTZQG-IXTGBYPASA-N	-1	0	670.712	2.324	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000257360801	572322198	/nfs/dbraw/zinc/32/21/98/572322198.db2.gz	IANDTMRUEFTZQG-URXAGSOOSA-N	-1	0	670.712	2.324	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000257360802	572322202	/nfs/dbraw/zinc/32/22/02/572322202.db2.gz	IANDTMRUEFTZQG-USGIDJFZSA-N	-1	0	670.712	2.324	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000257360834	572322220	/nfs/dbraw/zinc/32/22/20/572322220.db2.gz	KLVFPBQMCBMXDO-AKVAOOKTSA-N	-1	0	582.694	2.397	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000257360835	572322189	/nfs/dbraw/zinc/32/21/89/572322189.db2.gz	KLVFPBQMCBMXDO-KKPXYIFBSA-N	-1	0	582.694	2.397	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000257360836	572322219	/nfs/dbraw/zinc/32/22/19/572322219.db2.gz	KLVFPBQMCBMXDO-VYBUSLBWSA-N	-1	0	582.694	2.397	50	30		KEEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000257360837	572322191	/nfs/dbraw/zinc/32/21/91/572322191.db2.gz	KLVFPBQMCBMXDO-ZRTUNXPESA-N	-1	0	582.694	2.397	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(S(=O)(=O)C(C)C)CC3)C1=O)O2	ZINC000263585856	572120363	/nfs/dbraw/zinc/12/03/63/572120363.db2.gz	NGLWAVAUTHHYJA-DPYYHXFJSA-N	-1	0	532.615	2.361	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(S(N)(=O)=O)cc3O)C1=O)O2	ZINC000828237974	1066386967	/nfs/dbraw/zinc/38/69/67/1066386967.db2.gz	KSJKCWYNZWNRMH-GOOYREHVSA-N	-1	0	514.512	2.034	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc4[nH]c(=O)c(=O)[nH]c4c3)C1=O)O2	ZINC000828237993	1066387049	/nfs/dbraw/zinc/38/70/49/1066387049.db2.gz	PEZDTDMXIDZQLL-NTCLMWMPSA-N	-1	0	503.467	2.211	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3cc(S(N)(=O)=O)ccc3O)C1=O)O2	ZINC000828237998	1066387202	/nfs/dbraw/zinc/38/72/02/1066387202.db2.gz	RWGIIYWJLYEDFK-GOOYREHVSA-N	-1	0	514.512	2.034	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(N[C@H]4CS(=O)(=O)C[C@@H]4O)cc3)C1=O)O2	ZINC000828644027	1066387100	/nfs/dbraw/zinc/38/71/00/1066387100.db2.gz	KEJSKMPEMGMZDC-MWJGCEBLSA-N	-1	0	568.604	2.251	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(N[C@@H]4CS(=O)(=O)C[C@H]4O)cc3)C1=O)O2	ZINC000828644028	1066387564	/nfs/dbraw/zinc/38/75/64/1066387564.db2.gz	KEJSKMPEMGMZDC-MXSQIDOGSA-N	-1	0	568.604	2.251	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(N[C@H]4CS(=O)(=O)C[C@H]4O)cc3)C1=O)O2	ZINC000828644029	1066387913	/nfs/dbraw/zinc/38/79/13/1066387913.db2.gz	KEJSKMPEMGMZDC-NLEKQWIBSA-N	-1	0	568.604	2.251	50	30		KEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(N[C@@H]4CS(=O)(=O)C[C@@H]4O)cc3)C1=O)O2	ZINC000828644030	1066387885	/nfs/dbraw/zinc/38/78/85/1066387885.db2.gz	KEJSKMPEMGMZDC-TTZZQZBFSA-N	-1	0	568.604	2.251	50	30		KEEARM
COc1ccc(-c2nnn(CCO)n2)cc1NC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000828778517	1066387947	/nfs/dbraw/zinc/38/79/47/1066387947.db2.gz	TVSGJAHJCOUVBM-JYJPONOESA-N	-1	0	561.551	2.335	50	30		KEEARM
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O	ZINC001501016311	1066430567	/nfs/dbraw/zinc/43/05/67/1066430567.db2.gz	OXJICFMKFJWEES-CSSARADGSA-N	-1	0	614.666	2.263	50	30		KEEARM
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O)OC(C)=O	ZINC001501016312	1066430541	/nfs/dbraw/zinc/43/05/41/1066430541.db2.gz	OXJICFMKFJWEES-LVVXOFBCSA-N	-1	0	614.666	2.263	50	30		KEEARM
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)OC(C)=O	ZINC001501016313	1066430597	/nfs/dbraw/zinc/43/05/97/1066430597.db2.gz	OXJICFMKFJWEES-SKXJYMGUSA-N	-1	0	614.666	2.263	50	30		KEEARM
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O)OC(C)=O	ZINC001501016314	1066430583	/nfs/dbraw/zinc/43/05/83/1066430583.db2.gz	OXJICFMKFJWEES-ZZNFMOFKSA-N	-1	0	614.666	2.263	50	30		KEEARM