smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4csc(Nc5ccc(C#N)nc5)n4)C3)cc2c1	ZINC000585295243	569584651	/nfs/dbraw/zinc/58/46/51/569584651.db2.gz	RKULEBRZUQKRAC-INIZCTEOSA-N	1	1	444.564	5.023	40	30		IIEBMO
C[N@H+]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1	ZINC000049946950	523993747	/nfs/dbraw/zinc/99/37/47/523993747.db2.gz	MPFKWZDOHQBWFL-UKBYSZAZSA-N	1	1	441.531	4.418	40	30		IIEBMO
COc1ccc(/C=C/C(=O)c2cccs2)cc1C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000008763190	556211676	/nfs/dbraw/zinc/21/16/76/556211676.db2.gz	ZVFFNNSUFXLUOW-UNQHYNRVSA-N	1	1	446.572	4.434	40	30		IIEBMO
C[N@H+]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@H](/N=C/c3ccccc3O)[C@@H]2C1	ZINC000111069195	556720896	/nfs/dbraw/zinc/72/08/96/556720896.db2.gz	MPFKWZDOHQBWFL-KOQLKACHSA-N	1	1	441.531	4.418	40	30		IIEBMO
O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000103675333	557139288	/nfs/dbraw/zinc/13/92/88/557139288.db2.gz	GSWHKDQZHPNTIO-FVDSYPCUSA-N	1	1	428.511	4.068	40	30		IIEBMO
Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](Cc4ccc(C#CC(C)(C)O)cc4)C3)cc2n1	ZINC000019117086	568853569	/nfs/dbraw/zinc/85/35/69/568853569.db2.gz	VFVPUVJHZZKDQR-IBGZPJMESA-N	1	1	442.485	4.168	40	30		IIEBMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000245224312	568912930	/nfs/dbraw/zinc/91/29/30/568912930.db2.gz	UVCZBQKGSYAGJD-DASWZUCWSA-N	1	1	444.660	4.147	40	30		IIEBMO
COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4csc(Nc5ccc(C#N)nc5)n4)C3)cc2c1	ZINC000585295244	569584705	/nfs/dbraw/zinc/58/47/05/569584705.db2.gz	RKULEBRZUQKRAC-MRXNPFEDSA-N	1	1	444.564	5.023	40	30		IIEBMO
C=CCn1ncc(C[N@@H+]2CCC[C@@H](c3nc(N4CCCC4)ncc3-c3cc(C)no3)C2)c1C	ZINC000019122260	568853561	/nfs/dbraw/zinc/85/35/61/568853561.db2.gz	OEVMPLWURYKYDV-HXUWFJFHSA-N	1	1	447.587	4.111	40	30		IIEBMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000245224313	568912909	/nfs/dbraw/zinc/91/29/09/568912909.db2.gz	UVCZBQKGSYAGJD-HSSIRBGWSA-N	1	1	444.660	4.147	40	30		IIEBMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000245224314	568912893	/nfs/dbraw/zinc/91/28/93/568912893.db2.gz	UVCZBQKGSYAGJD-REFIYWMSSA-N	1	1	444.660	4.147	40	30		IIEBMO
N#Cc1cccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)c1	ZINC000015675872	560095699	/nfs/dbraw/zinc/09/56/99/560095699.db2.gz	KKQXOUIQASABKM-IBGZPJMESA-N	1	1	445.870	4.316	40	30	biogenic,in-vitro	IIEBMO
CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]12	ZINC000009356567	556285021	/nfs/dbraw/zinc/28/50/21/556285021.db2.gz	XACOJSKEQRDALU-BIGIFDKBSA-N	1	1	434.665	4.395	40	30		IIEBMO
COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)CC1	ZINC000408833735	556866969	/nfs/dbraw/zinc/86/69/69/556866969.db2.gz	XVWZYNJXFMNVSZ-UHFFFAOYSA-N	1	1	440.547	4.336	40	30		IIEBMO
O=[N+]([O-])c1ccc(C[NH+](CC/N=C/c2ccccc2O)CC/N=C/c2ccccc2O)cc1	ZINC000068604906	527347471	/nfs/dbraw/zinc/34/74/71/527347471.db2.gz	ZJDNRPWHEGMCJT-HEPXYTLMSA-N	1	1	446.507	4.046	40	30		IIEBMO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1	ZINC000225638868	519085745	/nfs/dbraw/zinc/08/57/45/519085745.db2.gz	ASTDFOFCUSAQQR-UHFFFAOYSA-N	1	1	426.970	4.459	40	30		IIEBMO
C[N@H+]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@H]2C1	ZINC000253495654	556698073	/nfs/dbraw/zinc/69/80/73/556698073.db2.gz	MPFKWZDOHQBWFL-RBKCJFNHSA-N	1	1	441.531	4.418	40	30		IIEBMO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1	ZINC000019015890	568852821	/nfs/dbraw/zinc/85/28/21/568852821.db2.gz	OTMNATPPHJVSHX-MHZLTWQESA-N	1	1	426.564	4.271	40	30		IIEBMO
C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000245224311	568912933	/nfs/dbraw/zinc/91/29/33/568912933.db2.gz	UVCZBQKGSYAGJD-BCVDAGNSSA-N	1	1	444.660	4.147	40	30		IIEBMO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1	ZINC000072391187	518931354	/nfs/dbraw/zinc/93/13/54/518931354.db2.gz	MBKUEJPRSNLYSM-MHZLTWQESA-N	1	1	426.564	4.271	40	30		IIEBMO
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000409119381	556960831	/nfs/dbraw/zinc/96/08/31/556960831.db2.gz	SDPHVVKGKLSYMU-UHFFFAOYSA-N	1	1	425.532	4.413	40	30		IIEBMO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1	ZINC000019015888	568852954	/nfs/dbraw/zinc/85/29/54/568852954.db2.gz	OTMNATPPHJVSHX-HHHXNRCGSA-N	1	1	426.564	4.271	40	30		IIEBMO
C=CCn1ncc(C[N@@H+]2CCC[C@H](c3nc(N4CCCC4)ncc3-c3cc(C)no3)C2)c1C	ZINC000019122264	568853674	/nfs/dbraw/zinc/85/36/74/568853674.db2.gz	OEVMPLWURYKYDV-FQEVSTJZSA-N	1	1	447.587	4.111	40	30		IIEBMO
Cc1sc2ccccc2c1C[N@H+]1CCOC[C@@]2(CC[C@H](CNc3ccc(C#N)cn3)O2)C1	ZINC000251978470	569287817	/nfs/dbraw/zinc/28/78/17/569287817.db2.gz	FHFPWQJBTSIQFW-CJFMBICVSA-N	1	1	448.592	4.339	40	30		IIEBMO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1	ZINC000072391188	518922624	/nfs/dbraw/zinc/92/26/24/518922624.db2.gz	MBKUEJPRSNLYSM-HHHXNRCGSA-N	1	1	426.564	4.271	40	30		IIEBMO
CCC[N@@H+]1CCc2c(sc3ncn4nc(CO/N=C\c5ccc(Cl)cc5)nc4c23)C1	ZINC000033545483	568866938	/nfs/dbraw/zinc/86/69/38/568866938.db2.gz	DKAQBQRCNPZVFK-VROXFSQNSA-N	1	1	440.960	4.311	40	30		IIEBMO
CCC[N@H+]1CCc2c(sc3ncn4nc(CO/N=C\c5ccc(Cl)cc5)nc4c23)C1	ZINC000033545483	568866940	/nfs/dbraw/zinc/86/69/40/568866940.db2.gz	DKAQBQRCNPZVFK-VROXFSQNSA-N	1	1	440.960	4.311	40	30		IIEBMO
N#Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cccn3-c3ccccn3)n2)s1	ZINC000585293041	569583115	/nfs/dbraw/zinc/58/31/15/569583115.db2.gz	CPSHLOMBBRZAMI-HXUWFJFHSA-N	1	1	427.537	4.676	40	30		IIEBMO
C=CCc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc(OCC)c1O	ZINC000057760535	519129233	/nfs/dbraw/zinc/12/92/33/519129233.db2.gz	LUWQUQOKXJRIJF-NRFANRHFSA-N	1	1	446.551	4.044	40	30		IIEBMO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccccc2F)C1	ZINC000019015874	568853327	/nfs/dbraw/zinc/85/33/27/568853327.db2.gz	QKYAORIAZZYVBT-HHHXNRCGSA-N	1	1	444.554	4.410	40	30		IIEBMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]12	ZINC000009356568	556285129	/nfs/dbraw/zinc/28/51/29/556285129.db2.gz	XACOJSKEQRDALU-NXQGKGCJSA-N	1	1	434.665	4.395	40	30		IIEBMO
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000009063696	569219960	/nfs/dbraw/zinc/21/99/60/569219960.db2.gz	BBBBSGMRJCZZDM-UHFFFAOYSA-N	1	1	429.923	4.246	40	30		IIEBMO
O=[N+]([O-])c1ccc(C[NH+](CC/N=C\c2ccccc2O)CC/N=C\c2ccccc2O)cc1	ZINC000095101063	527347892	/nfs/dbraw/zinc/34/78/92/527347892.db2.gz	ZJDNRPWHEGMCJT-HXNKFHKOSA-N	1	1	446.507	4.046	40	30		IIEBMO
CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12	ZINC000009356570	556285137	/nfs/dbraw/zinc/28/51/37/556285137.db2.gz	XACOJSKEQRDALU-XKPHQYGZSA-N	1	1	434.665	4.395	40	30		IIEBMO
N#Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4cnn(C5CCCC5)c4)C3)cs2)cn1	ZINC000585294389	569583045	/nfs/dbraw/zinc/58/30/45/569583045.db2.gz	DNZFOBLWOXCAHN-SFHVURJKSA-N	1	1	433.585	4.845	40	30		IIEBMO
C#CCOc1cccc(C[N@H+]2CC=CC[C@@]3(C(=O)NCc4ccc(F)cc4)CCC[C@@H]23)c1	ZINC000019014264	568852729	/nfs/dbraw/zinc/85/27/29/568852729.db2.gz	WAQZZSAQLIRXIK-XNMGPUDCSA-N	1	1	432.539	4.455	40	30		IIEBMO
Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3sc4c(c3C#N)CC[N@@H+](C)C4)n2)cc1	ZINC000408580412	569286259	/nfs/dbraw/zinc/28/62/59/569286259.db2.gz	BRJATNCDQCFMNN-UHFFFAOYSA-N	1	1	449.605	4.412	40	30		IIEBMO
Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3sc4c(c3C#N)CC[N@H+](C)C4)n2)cc1	ZINC000408580412	569286260	/nfs/dbraw/zinc/28/62/60/569286260.db2.gz	BRJATNCDQCFMNN-UHFFFAOYSA-N	1	1	449.605	4.412	40	30		IIEBMO
N#Cc1ccc(NC[C@H]2CC[C@@]3(COCC[N@@H+](Cc4ccc(-c5ccccc5)o4)C3)O2)nc1	ZINC000306144295	569286666	/nfs/dbraw/zinc/28/66/66/569286666.db2.gz	ZBSZSEXLBHUIQD-ATIYNZHBSA-N	1	1	444.535	4.075	40	30		IIEBMO
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225579465	556682844	/nfs/dbraw/zinc/68/28/44/556682844.db2.gz	HPSJQVJNKQOACP-UHFFFAOYSA-N	1	1	429.923	4.246	40	30		IIEBMO
COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc3ccc(C#N)nc3)n1)OCO2	ZINC000585295410	568632468	/nfs/dbraw/zinc/63/24/68/568632468.db2.gz	YLHYMPDNLCJRQF-HXUWFJFHSA-N	1	1	429.480	4.166	40	30		IIEBMO
COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc3ccc(C#N)nc3)n1)OCO2	ZINC000585295410	568632470	/nfs/dbraw/zinc/63/24/70/568632470.db2.gz	YLHYMPDNLCJRQF-HXUWFJFHSA-N	1	1	429.480	4.166	40	30		IIEBMO
CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12	ZINC000009356569	556285061	/nfs/dbraw/zinc/28/50/61/556285061.db2.gz	XACOJSKEQRDALU-GCYVXGJESA-N	1	1	434.665	4.395	40	30		IIEBMO
C=CCc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc(OCC)c1O	ZINC000057760539	519129780	/nfs/dbraw/zinc/12/97/80/519129780.db2.gz	LUWQUQOKXJRIJF-OAQYLSRUSA-N	1	1	446.551	4.044	40	30		IIEBMO
C=CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2ccncc2)C1	ZINC000019015896	568852763	/nfs/dbraw/zinc/85/27/63/568852763.db2.gz	WPTXKLPPPPSRLV-HHHXNRCGSA-N	1	1	426.564	4.271	40	30		IIEBMO
N#Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+](Cc4cnn(C5CCCC5)c4)C3)cs2)cn1	ZINC000585294385	569583101	/nfs/dbraw/zinc/58/31/01/569583101.db2.gz	DNZFOBLWOXCAHN-GOSISDBHSA-N	1	1	433.585	4.845	40	30		IIEBMO
Cn1cc(C[N@H+]2CCC[C@@H](c3csc(Nc4ccc(C#N)nc4)n3)C2)c2ccccc21	ZINC000585295412	569585025	/nfs/dbraw/zinc/58/50/25/569585025.db2.gz	YMRIUKIRSLGTAL-QGZVFWFLSA-N	1	1	428.565	5.025	40	30		IIEBMO
CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1	ZINC000012558361	520396596	/nfs/dbraw/zinc/39/65/96/520396596.db2.gz	NPIDRIGSUYYTJL-LKUDQCMESA-N	1	1	435.355	4.100	40	30		IIEBMO
O=[N+]([O-])c1ccc(C[N@H+](CC/N=C/c2ccccc2O)CC/N=C\c2ccccc2O)cc1	ZINC000095470490	527346947	/nfs/dbraw/zinc/34/69/47/527346947.db2.gz	ZJDNRPWHEGMCJT-JTXLREJOSA-N	1	1	446.507	4.046	40	30		IIEBMO
O=[N+]([O-])c1ccc(C[N@@H+](CC/N=C/c2ccccc2O)CC/N=C\c2ccccc2O)cc1	ZINC000095470490	527346951	/nfs/dbraw/zinc/34/69/51/527346951.db2.gz	ZJDNRPWHEGMCJT-JTXLREJOSA-N	1	1	446.507	4.046	40	30		IIEBMO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1	ZINC000019015900	568853533	/nfs/dbraw/zinc/85/35/33/568853533.db2.gz	BQDACKSNSAQGOF-HHHXNRCGSA-N	1	1	426.564	4.271	40	30		IIEBMO
Cn1cc(C[N@H+]2CCC[C@H](c3csc(Nc4ccc(C#N)nc4)n3)C2)c2ccccc21	ZINC000585295411	569585051	/nfs/dbraw/zinc/58/50/51/569585051.db2.gz	YMRIUKIRSLGTAL-KRWDZBQOSA-N	1	1	428.565	5.025	40	30		IIEBMO
Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4ccc(C#CC(C)(C)O)cc4)C3)cc2n1	ZINC000019117083	568853510	/nfs/dbraw/zinc/85/35/10/568853510.db2.gz	VFVPUVJHZZKDQR-LJQANCHMSA-N	1	1	442.485	4.168	40	30		IIEBMO
Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)n1	ZINC000408580460	569286215	/nfs/dbraw/zinc/28/62/15/569286215.db2.gz	BVXRYDKOWVVKSY-UHFFFAOYSA-N	1	1	435.578	4.104	40	30		IIEBMO
Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)n1	ZINC000408580460	569286218	/nfs/dbraw/zinc/28/62/18/569286218.db2.gz	BVXRYDKOWVVKSY-UHFFFAOYSA-N	1	1	435.578	4.104	40	30		IIEBMO
COc1ccc(/C=C/C(=O)c2ccccc2)cc1C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000008740062	556206310	/nfs/dbraw/zinc/20/63/10/556206310.db2.gz	FLXGHFQBYWTLAK-HRQOKUPJSA-N	1	1	440.543	4.372	40	30		IIEBMO
CC[NH+](CC)c1ccc(-n2c(C)cc(C=Nn3c(=O)[nH]c4ccccc4c3=O)c2C)cc1	ZINC000409354282	557080815	/nfs/dbraw/zinc/08/08/15/557080815.db2.gz	BKONYFXCYXGGPP-UHFFFAOYSA-N	1	1	429.524	4.238	40	30		IIEBMO
N#Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cccn3-c3ccccn3)n2)s1	ZINC000585293040	569583058	/nfs/dbraw/zinc/58/30/58/569583058.db2.gz	CPSHLOMBBRZAMI-FQEVSTJZSA-N	1	1	427.537	4.676	40	30		IIEBMO
C[N@H+]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@H](/N=C/c3ccccc3O)[C@H]2C1	ZINC000253495653	556697995	/nfs/dbraw/zinc/69/79/95/556697995.db2.gz	MPFKWZDOHQBWFL-QGPBITLVSA-N	1	1	441.531	4.418	40	30		IIEBMO
C=CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2ccccn2)C1	ZINC000019015878	568852976	/nfs/dbraw/zinc/85/29/76/568852976.db2.gz	YTEQPBAPSFCRKD-MHZLTWQESA-N	1	1	426.564	4.271	40	30		IIEBMO
COc1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3[N@H+]2Cc2ccc(C#CC(C)(C)O)cc2)cc1	ZINC000019080851	568853184	/nfs/dbraw/zinc/85/31/84/568853184.db2.gz	BORSODNJDBETNI-WIOPSUGQSA-N	1	1	427.548	4.265	40	30		IIEBMO
C[N@@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2C1	ZINC000408580621	569286359	/nfs/dbraw/zinc/28/63/59/569286359.db2.gz	DFZRZKGBAYTBAP-UHFFFAOYSA-N	1	1	445.957	4.042	40	30		IIEBMO
C[N@H+]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2C1	ZINC000408580621	569286361	/nfs/dbraw/zinc/28/63/61/569286361.db2.gz	DFZRZKGBAYTBAP-UHFFFAOYSA-N	1	1	445.957	4.042	40	30		IIEBMO
C=CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)s1	ZINC000225590887	519085216	/nfs/dbraw/zinc/08/52/16/519085216.db2.gz	GHJSKNCVZUCXKY-UHFFFAOYSA-N	1	1	426.970	4.459	40	30		IIEBMO
COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc3ccc(C#N)nc3)n1)OCO2	ZINC000585295409	568632923	/nfs/dbraw/zinc/63/29/23/568632923.db2.gz	YLHYMPDNLCJRQF-FQEVSTJZSA-N	1	1	429.480	4.166	40	30		IIEBMO
COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(Nc3ccc(C#N)nc3)n1)OCO2	ZINC000585295409	568632924	/nfs/dbraw/zinc/63/29/24/568632924.db2.gz	YLHYMPDNLCJRQF-FQEVSTJZSA-N	1	1	429.480	4.166	40	30		IIEBMO