smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c2cc(O)c(O)cc2o1	ZINC000097376410	463356765	/nfs/dbraw/zinc/35/67/65/463356765.db2.gz	POFCRJLGZWCONL-ZDUSSCGKSA-N	1	0	341.367	2.238	40	10		EECBRO
O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCC1	ZINC000225403066	464156961	/nfs/dbraw/zinc/15/69/61/464156961.db2.gz	IWXBUXFQCUOZIK-AWEZNQCLSA-N	1	0	338.835	2.041	40	10		EECBRO
C[N+](C)(C)c1ccc(CNc2cccc3c(=O)[nH][nH]c(=O)c23)cc1	ZINC000223814123	464146839	/nfs/dbraw/zinc/14/68/39/464146839.db2.gz	NMEAFBQIPJDIBX-UHFFFAOYSA-O	1	0	325.392	2.025	40	10		EECBRO
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)[C@H]1CC[NH2+]C1	ZINC000252495727	464969886	/nfs/dbraw/zinc/96/98/86/464969886.db2.gz	OXXUJQDZTSKOCN-KRWDZBQOSA-N	1	0	345.487	2.260	40	10		EECBRO
c1cc(N2CCC([NH2+]CCN3CCCCC3)CC2)cc2c1OCO2	ZINC000019346165	463017574	/nfs/dbraw/zinc/01/75/74/463017574.db2.gz	VHAFICQXNJIHMI-UHFFFAOYSA-N	1	0	331.460	2.460	40	10		EECBRO
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)[C@@H]1CC[NH2+]C1	ZINC000252495728	464969945	/nfs/dbraw/zinc/96/99/45/464969945.db2.gz	OXXUJQDZTSKOCN-QGZVFWFLSA-N	1	0	345.487	2.260	40	10		EECBRO
CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)c1O	ZINC000012366582	211356837	/nfs/dbraw/zinc/35/68/37/211356837.db2.gz	PHKBHMVYUZDMOM-GDBMZVCRSA-N	1	0	332.400	2.435	40	10		EECBRO
CCN(CC)c1ccc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3C2)cc1	ZINC000072389561	216189514	/nfs/dbraw/zinc/18/95/14/216189514.db2.gz	QEBCEXQINSRWNI-UHFFFAOYSA-N	1	0	326.444	2.483	40	10		EECBRO
C[N@@H+]1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000095434343	218377257	/nfs/dbraw/zinc/37/72/57/218377257.db2.gz	ZFANXIMANUGRCL-SJORKVTESA-N	1	0	332.444	2.242	40	10		EECBRO
COc1ccc(C[NH+]2CCC(O)(c3cccnc3F)CC2)c(O)c1	ZINC000072339999	216158344	/nfs/dbraw/zinc/15/83/44/216158344.db2.gz	JRFOVRJJMOIUFA-UHFFFAOYSA-N	1	0	332.375	2.419	40	10		EECBRO
Cc1cc(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)c(C)o1	ZINC000195542845	464072984	/nfs/dbraw/zinc/07/29/84/464072984.db2.gz	YLNXKPHLSYFDCP-UHFFFAOYSA-N	1	0	331.391	2.375	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3CCC[C@H]3C)CC2)cc1	ZINC000245228868	464469026	/nfs/dbraw/zinc/46/90/26/464469026.db2.gz	HXEMNXHJEFXNHD-IMFGXOCKSA-N	1	0	348.487	2.383	40	10		EECBRO
C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccncc3)cc2)CC1	ZINC000225777536	536421511	/nfs/dbraw/zinc/42/15/11/536421511.db2.gz	UTXFHLWUBGBHRF-UHFFFAOYSA-N	1	0	341.484	2.320	40	10		EECBRO
OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1Cc1ccc(O)cc1O	ZINC000585291555	469011542	/nfs/dbraw/zinc/01/15/42/469011542.db2.gz	ACQXPWGZRZJFLG-JFIYKMOQSA-N	1	0	349.814	2.072	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H]3CCC[C@H]3C)CC2)cc1	ZINC000054241287	214226540	/nfs/dbraw/zinc/22/65/40/214226540.db2.gz	HXEMNXHJEFXNHD-YVWKXTFCSA-N	1	0	348.487	2.383	40	10		EECBRO
OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1	ZINC000019292834	202002367	/nfs/dbraw/zinc/00/23/67/202002367.db2.gz	FHGVUUJKYSIBDB-ROUUACIJSA-N	1	0	347.478	2.457	40	10		EECBRO
CN(C)c1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2[NH3+])cc1	ZINC000035337505	276885137	/nfs/dbraw/zinc/88/51/37/276885137.db2.gz	WXYHLZGFKWPBNJ-KSZLIROESA-N	1	0	334.427	2.428	40	10		EECBRO
Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@H]2c1ccccc1O	ZINC000009289363	462800406	/nfs/dbraw/zinc/80/04/06/462800406.db2.gz	LTTDWWKVJTWFGC-MRXNPFEDSA-N	1	0	339.399	2.072	40	10		EECBRO
Cc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c(C)n1-c1ccccn1	ZINC000019567612	212043618	/nfs/dbraw/zinc/04/36/18/212043618.db2.gz	PPWHSKGSNNVHRE-ZYSHUDEJSA-N	1	0	340.471	2.128	40	10		EECBRO
COc1cccc2c(N)c3cccc(C(=O)NCC[NH+](C)C)c3nc12	ZINC000005845700	462671051	/nfs/dbraw/zinc/67/10/51/462671051.db2.gz	XCIIYQHJFSLOSD-UHFFFAOYSA-N	1	0	338.411	2.270	40	10		EECBRO
COc1ccc(N2CCC(O)(C[N@H+](C)[C@H]3CCCC[C@@H]3O)CC2)cc1	ZINC000585284138	469008200	/nfs/dbraw/zinc/00/82/00/469008200.db2.gz	HECPXTNDLLRXNT-OALUTQOASA-N	1	0	348.487	2.262	40	10		EECBRO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2)CC1	ZINC000225450687	464160704	/nfs/dbraw/zinc/16/07/04/464160704.db2.gz	QMMCWNUDAKCFME-UHFFFAOYSA-N	1	0	341.430	2.436	40	10		EECBRO
C[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1	ZINC000095434342	218377550	/nfs/dbraw/zinc/37/75/50/218377550.db2.gz	ZFANXIMANUGRCL-IRXDYDNUSA-N	1	0	332.444	2.242	40	10		EECBRO
Cc1cccc(CC(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)c1	ZINC000195542836	464073276	/nfs/dbraw/zinc/07/32/76/464073276.db2.gz	IFVCCBPMDGLNKS-UHFFFAOYSA-N	1	0	341.430	2.403	40	10		EECBRO
Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@@H]2c1ccccc1O	ZINC000009289362	280305138	/nfs/dbraw/zinc/30/51/38/280305138.db2.gz	LTTDWWKVJTWFGC-INIZCTEOSA-N	1	0	339.399	2.072	40	10		EECBRO
O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)c1ccc(Cl)o1	ZINC000195542853	464073067	/nfs/dbraw/zinc/07/30/67/464073067.db2.gz	ZNCWCBCODIDILX-UHFFFAOYSA-N	1	0	337.782	2.412	40	10		EECBRO
CNc1ncc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cn1	ZINC000019592387	202015126	/nfs/dbraw/zinc/01/51/26/202015126.db2.gz	COQIECZYHOAJHZ-UHFFFAOYSA-N	1	0	327.432	2.239	40	10		EECBRO
O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccccc1O)C2	ZINC000012666128	462861628	/nfs/dbraw/zinc/86/16/28/462861628.db2.gz	QUYGOMPLCHRGBD-UHFFFAOYSA-N	1	0	334.379	2.096	40	10		EECBRO
Cc1cc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c(C)n1-c1ccccn1	ZINC000019567609	202010956	/nfs/dbraw/zinc/01/09/56/202010956.db2.gz	PPWHSKGSNNVHRE-KFKAGJAMSA-N	1	0	340.471	2.128	40	10		EECBRO
C[NH+](C)CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S	ZINC000005235954	462651253	/nfs/dbraw/zinc/65/12/53/462651253.db2.gz	UDGUMXBASDHKRF-XFXZXTDPSA-N	1	0	332.454	2.326	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H]3CCC[C@@H]3C)CC2)cc1	ZINC000023114567	212349705	/nfs/dbraw/zinc/34/97/05/212349705.db2.gz	HXEMNXHJEFXNHD-ILZDJORESA-N	1	0	348.487	2.383	40	10		EECBRO
C[NH+]1CCN(c2ccc(CNC(=S)Nc3cccnc3)cc2)CC1	ZINC000225777505	536421661	/nfs/dbraw/zinc/42/16/61/536421661.db2.gz	IHRNSMQHHIBZMZ-UHFFFAOYSA-N	1	0	341.484	2.320	40	10		EECBRO
C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCCC2)c(F)c1	ZINC000019575898	212045196	/nfs/dbraw/zinc/04/51/96/212045196.db2.gz	BMXBSXTXBAXVEX-BHYGNILZSA-N	1	0	333.451	2.065	40	10		EECBRO
CCN1CCCc2cc(C[N@@H+]3CCc4nc(C)[nH]c(=O)c4C3)ccc21	ZINC000012222131	462847085	/nfs/dbraw/zinc/84/70/85/462847085.db2.gz	WQLCIVPPBPNMHL-UHFFFAOYSA-N	1	0	338.455	2.409	40	10		EECBRO
Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccccc1O)C2	ZINC000225494759	464167091	/nfs/dbraw/zinc/16/70/91/464167091.db2.gz	FEQNYRXJNCHTDW-KRWDZBQOSA-N	1	0	327.428	2.299	40	10	biogenic,in-vitro	EECBRO
C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1	ZINC000019575896	212046089	/nfs/dbraw/zinc/04/60/89/212046089.db2.gz	BMXBSXTXBAXVEX-USXIJHARSA-N	1	0	333.451	2.065	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@@H]3CCC[C@@H]3C)CC2)cc1	ZINC000012414231	462852910	/nfs/dbraw/zinc/85/29/10/462852910.db2.gz	HXEMNXHJEFXNHD-XKGZKEIXSA-N	1	0	348.487	2.383	40	10		EECBRO
O=C([C@H](C[NH2+]Cc1ccccc1O)c1ccccc1)N1CCOCC1	ZINC000078553700	217074696	/nfs/dbraw/zinc/07/46/96/217074696.db2.gz	AVCISVMWDPLMEN-GOSISDBHSA-N	1	0	340.423	2.124	40	10		EECBRO
CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21	ZINC000514288621	257846725	/nfs/dbraw/zinc/84/67/25/257846725.db2.gz	HQOLPKRKVWDAOP-QAPCUYQASA-N	1	0	342.370	2.249	40	10	biogenic,in-vitro	EECBRO
O=CC(=O)Cc1ccc(N[N+](=O)c2ccc(CC(=O)C=O)cc2)cc1	ZINC000104390992	219383456	/nfs/dbraw/zinc/38/34/56/219383456.db2.gz	WRXHQWBGGZKUCE-UHFFFAOYSA-N	1	0	338.319	2.233	40	10		EECBRO
O=c1cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c2cc(O)c(O)cc2o1	ZINC000097376409	463356872	/nfs/dbraw/zinc/35/68/72/463356872.db2.gz	POFCRJLGZWCONL-CYBMUJFWSA-N	1	0	341.367	2.238	40	10		EECBRO
CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000096404125	463237939	/nfs/dbraw/zinc/23/79/39/463237939.db2.gz	WHIUQBXCHMCRCN-GOSISDBHSA-N	1	0	349.450	2.153	40	10		EECBRO
C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCCCC2)cc1	ZINC000019575904	463019162	/nfs/dbraw/zinc/01/91/62/463019162.db2.gz	CFSGEJWEEFSCHL-PWIZWCRZSA-N	1	0	329.488	2.316	40	10		EECBRO
COc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000049740630	462975705	/nfs/dbraw/zinc/97/57/05/462975705.db2.gz	JLXVCEOTYHHEOK-UHFFFAOYSA-N	1	0	339.439	2.377	40	10		EECBRO
C[C@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCCCC2)cc1	ZINC000019575906	463019761	/nfs/dbraw/zinc/01/97/61/463019761.db2.gz	CFSGEJWEEFSCHL-FFZOFVMBSA-N	1	0	329.488	2.316	40	10		EECBRO
O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1ccccc1O)C2	ZINC000019349360	463017370	/nfs/dbraw/zinc/01/73/70/463017370.db2.gz	OXQYQKFWZFVIMW-UHFFFAOYSA-N	1	0	340.427	2.024	40	10		EECBRO
O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1O)C2	ZINC000012142860	462845973	/nfs/dbraw/zinc/84/59/73/462845973.db2.gz	OAFABPPKBGKRDP-UHFFFAOYSA-N	1	0	334.379	2.096	40	10		EECBRO
O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1CC1(Cl)Cl	ZINC000195542842	464072917	/nfs/dbraw/zinc/07/29/17/464072917.db2.gz	WNNIUSOFBXYUMA-NSHDSACASA-N	1	0	346.233	2.045	40	10		EECBRO
CN(C)c1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2[NH3+])cc1	ZINC000015830369	462964833	/nfs/dbraw/zinc/96/48/33/462964833.db2.gz	WXYHLZGFKWPBNJ-KURKYZTESA-N	1	0	334.427	2.428	40	10		EECBRO
CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1	ZINC000066988831	215101991	/nfs/dbraw/zinc/10/19/91/215101991.db2.gz	VCYGVVJJESQFLJ-UHFFFAOYSA-N	1	0	334.441	2.202	40	10		EECBRO
O=C([C@@H](C[NH2+]Cc1ccccc1O)c1ccccc1)N1CCOCC1	ZINC000078553704	217074620	/nfs/dbraw/zinc/07/46/20/217074620.db2.gz	AVCISVMWDPLMEN-SFHVURJKSA-N	1	0	340.423	2.124	40	10		EECBRO
Cn1c(/C=C2/SC(=S)N(CC[NH+](C)C)C2=O)nc2ccccc21	ZINC000005235984	462651499	/nfs/dbraw/zinc/65/14/99/462651499.db2.gz	QVLAYGXOIOVBPO-JLHYYAGUSA-N	1	0	346.481	2.336	40	10		EECBRO
CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1	ZINC000044758103	463692663	/nfs/dbraw/zinc/69/26/63/463692663.db2.gz	AEBOVHRGVYMUGP-MRXNPFEDSA-N	1	0	333.476	2.041	40	10		EECBRO
COc1cc(N2N=C(C)/C(=C/N3CC[NH+](C)CC3)C2=O)ccc1Cl	ZINC000408528452	257898358	/nfs/dbraw/zinc/89/83/58/257898358.db2.gz	GBXVOMTZXBOKCY-KAMYIIQDSA-N	1	0	348.834	2.202	40	10		EECBRO
CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1	ZINC000044758105	463692571	/nfs/dbraw/zinc/69/25/71/463692571.db2.gz	AEBOVHRGVYMUGP-INIZCTEOSA-N	1	0	333.476	2.041	40	10		EECBRO
CN(C)c1ccc([C@H]2Nc3ncnn3[C@H](c3ccccc3)[C@@H]2[NH3+])cc1	ZINC000015830373	289411777	/nfs/dbraw/zinc/41/17/77/289411777.db2.gz	WXYHLZGFKWPBNJ-KZNAEPCWSA-N	1	0	334.427	2.428	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@H]3CCC[C@@H]3C)CC2)cc1	ZINC000012414232	462852944	/nfs/dbraw/zinc/85/29/44/462852944.db2.gz	HXEMNXHJEFXNHD-QRFRQXIXSA-N	1	0	348.487	2.383	40	10		EECBRO
Cn1ccnc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cnccn2)C1	ZINC000257247355	244261091	/nfs/dbraw/zinc/26/10/91/244261091.db2.gz	IYPORRNRCYUVBX-CQSZACIVSA-N	1	0	335.415	2.047	40	10		EECBRO
OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCCC2)c(F)c1	ZINC000019292833	212013450	/nfs/dbraw/zinc/01/34/50/212013450.db2.gz	FHGVUUJKYSIBDB-MSOLQXFVSA-N	1	0	347.478	2.457	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@H](O)CO[C@H]3CCC[C@H]3C)CC2)cc1	ZINC000245228869	464469007	/nfs/dbraw/zinc/46/90/07/464469007.db2.gz	HXEMNXHJEFXNHD-KPFFTGBYSA-N	1	0	348.487	2.383	40	10		EECBRO
C[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000252487581	464964817	/nfs/dbraw/zinc/96/48/17/464964817.db2.gz	ZFANXIMANUGRCL-DLBZAZTESA-N	1	0	332.444	2.242	40	10		EECBRO
O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1CC1(Cl)Cl	ZINC000195542843	464073595	/nfs/dbraw/zinc/07/35/95/464073595.db2.gz	WNNIUSOFBXYUMA-LLVKDONJSA-N	1	0	346.233	2.045	40	10		EECBRO
C[N@@H+]1CCC[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1	ZINC000252487583	464965409	/nfs/dbraw/zinc/96/54/09/464965409.db2.gz	ZFANXIMANUGRCL-IAGOWNOFSA-N	1	0	332.444	2.242	40	10		EECBRO
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)C2=O	ZINC000001777743	281543212	/nfs/dbraw/zinc/54/32/12/281543212.db2.gz	XGIZGPPIDPEERR-UXHICEINSA-N	1	0	348.487	2.376	40	10		EECBRO
O=C1NC(=S)NC(=O)C1=CNc1c2ccccc2[nH+]c2ccccc21	ZINC000006025774	284867147	/nfs/dbraw/zinc/86/71/47/284867147.db2.gz	ODNPGEAJJGJOEB-UHFFFAOYSA-N	1	0	348.387	2.215	40	10		EECBRO
CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000096404126	463238404	/nfs/dbraw/zinc/23/84/04/463238404.db2.gz	WHIUQBXCHMCRCN-SFHVURJKSA-N	1	0	349.450	2.153	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@H]3CCC[C@H]3C)CC2)cc1	ZINC000054241285	214226427	/nfs/dbraw/zinc/22/64/27/214226427.db2.gz	HXEMNXHJEFXNHD-POAQFYNOSA-N	1	0	348.487	2.383	40	10		EECBRO
Cn1ccnc1-c1nccnc1[C@H]1CCC[N@H+](Cc2cnccn2)C1	ZINC000257247354	244260465	/nfs/dbraw/zinc/26/04/65/244260465.db2.gz	IYPORRNRCYUVBX-AWEZNQCLSA-N	1	0	335.415	2.047	40	10		EECBRO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccs3)cc2)CC1	ZINC000049740637	462975739	/nfs/dbraw/zinc/97/57/39/462975739.db2.gz	LUYDSDHJBIWTGU-UHFFFAOYSA-N	1	0	329.469	2.359	40	10		EECBRO
COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@H]3CCC[C@@H]3C)CC2)cc1	ZINC000023114568	212349175	/nfs/dbraw/zinc/34/91/75/212349175.db2.gz	HXEMNXHJEFXNHD-HQRMLTQVSA-N	1	0	348.487	2.383	40	10		EECBRO
O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCC1	ZINC000225403110	464157440	/nfs/dbraw/zinc/15/74/40/464157440.db2.gz	IWXBUXFQCUOZIK-CQSZACIVSA-N	1	0	338.835	2.041	40	10		EECBRO
O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1ccccc1O)CC2	ZINC000019349321	212020079	/nfs/dbraw/zinc/02/00/79/212020079.db2.gz	QVEPLGQUKYSWDJ-UHFFFAOYSA-N	1	0	334.379	2.096	40	10		EECBRO