smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)c1ccc(N2N=C(c3ccc(O)c(Cl)c3)CCC2=O)cc1	ZINC000096911493	136187855	/nfs/dbraw/zinc/18/78/55/136187855.db2.gz	MWKFGHFHFRAIOI-UHFFFAOYSA-N	0	0	378.837	2.980	1	10		GFCFRN
Cc1cc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c(N2CCN(C)CC2)c1	ZINC000028822433	581091404	/nfs/dbraw/zinc/09/14/04/581091404.db2.gz	ZXVMJYMFJTYFQL-UHFFFAOYSA-N	0	0	382.416	2.637	1	10		GFCFRN
COc1ccc(CN2Cc3cnnn3-c3ccc(N4CCOCC4)cc3C2)cc1	ZINC000095570394	136182206	/nfs/dbraw/zinc/18/22/06/136182206.db2.gz	OXZFLQPBGNEWRR-UHFFFAOYSA-N	0	0	391.475	2.628	3	10		GFCFRN
CCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2c1C(=O)c1cccnc1C2=O	ZINC000040874488	205074166	/nfs/dbraw/zinc/07/41/66/205074166.db2.gz	AIKNBSXDEAKQHR-UHFFFAOYSA-N	0	0	375.384	2.715	1	10		GFCFRN
C[NH+](C)CCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1	ZINC000084728662	205399096	/nfs/dbraw/zinc/39/90/96/205399096.db2.gz	OPSYYICUTYYAGE-QINSGFPZSA-N	0	0	394.518	2.693	1	10		GFCFRN
O=C1C(N=N[C@H]2CS(=O)(=O)C[C@H]2O)c2ccccc2N1Cc1ccccc1	ZINC000169298249	205826429	/nfs/dbraw/zinc/82/64/29/205826429.db2.gz	HRUKRGREPIONPY-FHNDLKNYSA-N	0	0	385.445	2.637	1	10		GFCFRN
COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(O)c3)O2)cc(O)c1O	ZINC000013340635	291121958	/nfs/dbraw/zinc/12/19/58/291121958.db2.gz	CDLANTQZSUXRAX-DEYYWGMASA-N	0	0	376.405	2.731	1	10	biogenic,in-vitro	GFCFRN
CC(=O)N(C)[C@H](c1nnnn1-c1c(C)cccc1C)c1ccc(N(C)C)cc1	ZINC000006995593	204228383	/nfs/dbraw/zinc/22/83/83/204228383.db2.gz	GZGLRVHTXGNYOZ-FQEVSTJZSA-N	0	0	378.480	2.913	3	10		GFCFRN
COC(=O)c1c2ccc(Br)cn2c2c1C(=O)c1cccnc1C2=O	ZINC000072118585	205304489	/nfs/dbraw/zinc/30/44/89/205304489.db2.gz	SFTCQWGVDCJOJR-UHFFFAOYSA-N	0	0	385.173	2.659	1	10		GFCFRN
O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000064564952	222074132	/nfs/dbraw/zinc/07/41/32/222074132.db2.gz	FCQPHPQKBDBVLA-UHFFFAOYSA-N	0	0	394.339	2.934	1	10		GFCFRN
CC(=O)NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2	ZINC000095556214	208232303	/nfs/dbraw/zinc/23/23/03/208232303.db2.gz	AINNLKCYXDROLD-UHFFFAOYSA-N	0	0	391.383	2.647	1	10		GFCFRN
CC(C)(C)OC(=O)N1CCC(n2nnc3c2C(=O)c2ccccc2C3=O)CC1	ZINC000059045046	207781322	/nfs/dbraw/zinc/78/13/22/207781322.db2.gz	MOUIRKIYQQVOCJ-UHFFFAOYSA-N	0	0	382.420	2.626	1	10		GFCFRN
C[C@]1(COc2ccc(N3CCSCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	ZINC000034086762	207467091	/nfs/dbraw/zinc/46/70/91/207467091.db2.gz	NFMAMMXIBCMZBJ-QGZVFWFLSA-N	0	0	376.438	2.575	1	10		GFCFRN
CN(C)/N=N/c1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2	ZINC000013826467	207000677	/nfs/dbraw/zinc/00/06/77/207000677.db2.gz	HZWIRYNNPCVNQT-QURGRASLSA-N	0	0	384.440	2.974	1	10		GFCFRN
O=C(Cc1ccc(O)c(O)c1)C1c2cccc(O)c2C(=O)c2c(O)cccc21	ZINC000013732239	206996962	/nfs/dbraw/zinc/99/69/62/206996962.db2.gz	WLJMSLDCWDONHA-UHFFFAOYSA-N	0	0	376.364	2.997	1	10		GFCFRN
CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCc2ccc(N)cc2)c1=O	ZINC000013832607	207003214	/nfs/dbraw/zinc/00/32/14/207003214.db2.gz	HIGUCTFSOVUIFC-UHFFFAOYSA-N	0	0	381.480	2.779	1	10		GFCFRN
O=[N+]([O-])c1cc(C[NH+]2CCN(Cc3ccncc3)CC2)c([O-])c2ncccc12	ZINC000095596109	208236470	/nfs/dbraw/zinc/23/64/70/208236470.db2.gz	CWTZHTJQUAOVQY-UHFFFAOYSA-N	0	0	379.420	2.561	1	10		GFCFRN
Cc1cc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c(N2C(=O)CCCC2=O)c1	ZINC000028822440	207349414	/nfs/dbraw/zinc/34/94/14/207349414.db2.gz	DGMWYGXZHPOYKH-UHFFFAOYSA-N	0	0	395.367	2.929	1	10		GFCFRN
O=C(c1ccc(O)c(O)c1)c1cc2cc(Br)cc(O)c2oc1=O	ZINC000096917603	208327697	/nfs/dbraw/zinc/32/76/97/208327697.db2.gz	OJNJAUWCSKAHHN-UHFFFAOYSA-N	0	0	377.146	2.903	1	10		GFCFRN
COc1cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)cc3)O2)c(CO)c(O)c1O	ZINC000085596414	291121962	/nfs/dbraw/zinc/12/19/62/291121962.db2.gz	BXDGMKAIMSFREK-VKJFTORMSA-N	0	0	390.432	2.518	1	10	biogenic,in-vitro	GFCFRN
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@H](c2ccccc2O)[C@H]1[N+](=O)[O-]	ZINC000013151599	210053605	/nfs/dbraw/zinc/05/36/05/210053605.db2.gz	QWRZREMQSRFAAJ-USTZCAOPSA-N	0	0	387.392	2.800	1	10		GFCFRN
COc1c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c(OC)c1OC	ZINC000001575838	209226651	/nfs/dbraw/zinc/22/66/51/209226651.db2.gz	WQDGAXUSPJAKPY-UHFFFAOYSA-N	0	0	390.344	2.611	1	10		GFCFRN
COc1cc(OC)c2c(c1)C(=O)c1cc(OC)c3c(=O)cc(C)oc3c1C2=O	ZINC000029038288	210540404	/nfs/dbraw/zinc/54/04/04/210540404.db2.gz	FUZSCLKATPKCGA-UHFFFAOYSA-N	0	0	380.352	2.903	1	10		GFCFRN
COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1	ZINC000013560108	210069134	/nfs/dbraw/zinc/06/91/34/210069134.db2.gz	FTBUCOBNSRIEMM-UHFFFAOYSA-N	0	0	385.508	2.527	1	10		GFCFRN
COc1cc2c(c(O)c1O)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000013779615	210089664	/nfs/dbraw/zinc/08/96/64/210089664.db2.gz	QWAPKPXETOORJN-AWEZNQCLSA-N	0	0	387.457	2.979	1	10		GFCFRN
CC(C)=C(CO)C[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O	ZINC000085592762	291119220	/nfs/dbraw/zinc/11/92/20/291119220.db2.gz	JWWZUIVPHDJTGK-VXKWHMMOSA-N	0	0	384.428	2.778	1	10	biogenic,in-vitro	GFCFRN
C/C=C1\C[N+]2([O-])CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913518	291117716	/nfs/dbraw/zinc/11/77/16/291117716.db2.gz	JNZLOBNRRLPTPF-OGKDOJEJSA-N	0	0	384.476	2.607	1	10	biogenic,in-vitro	GFCFRN
C[NH+](C)Cc1c([O-])c(C[NH+](C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1[O-]	ZINC000082154723	211163351	/nfs/dbraw/zinc/16/33/51/211163351.db2.gz	RYBFHERUOYJMEJ-UHFFFAOYSA-N	0	0	384.432	2.700	1	10		GFCFRN
COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@H]3COC(=O)[C@@H]32)cc(OC)c1OC	ZINC000013434605	209192358	/nfs/dbraw/zinc/19/23/58/209192358.db2.gz	RINWQCSDWSZGDJ-RQUSPXKASA-N	0	0	386.400	2.601	1	10		GFCFRN
O=[N+]([O-])c1cc(C[NH+]2CCN(Cc3cccnc3)CC2)c([O-])c2ncccc12	ZINC000095593554	211281347	/nfs/dbraw/zinc/28/13/47/211281347.db2.gz	WXWHNXUPXWYMEI-UHFFFAOYSA-N	0	0	379.420	2.561	1	10		GFCFRN
CC1=NN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2O)C1	ZINC000071340438	211046989	/nfs/dbraw/zinc/04/69/89/211046989.db2.gz	HMSFBHVDDUACRP-QGZVFWFLSA-N	0	0	389.433	2.996	1	10		GFCFRN
COc1c(O)c(O)cc2c1-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000013779616	221288146	/nfs/dbraw/zinc/28/81/46/221288146.db2.gz	TUCYCQQBWVJPPA-AWEZNQCLSA-N	0	0	387.457	2.979	1	10		GFCFRN
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(OC)cc13)C(=O)N2	ZINC000013538935	221271551	/nfs/dbraw/zinc/27/15/51/221271551.db2.gz	LAQJEWDIRFJSCE-IUXPMGMMSA-N	0	0	397.456	2.588	1	10		GFCFRN
O=c1cc(-c2ccccc2)oc2c(C[NH+]3CCC(CO)CC3)c([O-])c(O)c(O)c12	ZINC000072124364	222209519	/nfs/dbraw/zinc/20/95/19/222209519.db2.gz	HPAUUUSIXSZPIQ-UHFFFAOYSA-N	0	0	397.427	2.781	1	10		GFCFRN
CNC(=O)c1cn2c(-c3ccc(N(C)C)cc3)nc3c2c(cc(F)c3NC)c1=O	ZINC000101632696	222473928	/nfs/dbraw/zinc/47/39/28/222473928.db2.gz	WIEZDFROSHHSNE-UHFFFAOYSA-N	0	0	393.422	2.559	1	10		GFCFRN
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@@H](c2ccccc2O)[C@@H]1[N+](=O)[O-]	ZINC000013151600	221262642	/nfs/dbraw/zinc/26/26/42/221262642.db2.gz	QWRZREMQSRFAAJ-XSLAGTTESA-N	0	0	387.392	2.800	1	10		GFCFRN
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(O)c(O)c2)cc(OC)c1OC	ZINC000014646696	291121961	/nfs/dbraw/zinc/12/19/61/291121961.db2.gz	CKKVZMACENBCGR-LSDHHAIUSA-N	0	0	388.416	2.698	1	10	biogenic,in-vitro	GFCFRN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1ccc(C)c(OC(C)=O)c1C2=O	ZINC000013454711	221268822	/nfs/dbraw/zinc/26/88/22/221268822.db2.gz	IUQHMGOAVMOIMT-UHFFFAOYSA-N	0	0	396.351	2.546	1	10		GFCFRN
O=C(c1noc2c1CCCCC2)N1CCN(c2ccc3c(c2)OCCO3)CC1	ZINC000095553146	136182022	/nfs/dbraw/zinc/18/20/22/136182022.db2.gz	WALWWKVXXWYWSP-UHFFFAOYSA-N	0	0	383.448	2.677	1	10		GFCFRN
COc1cc(CC[C@@H](O)CC(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O	ZINC000015113777	291121479	/nfs/dbraw/zinc/12/14/79/291121479.db2.gz	WCKRDHRSYRZRAX-OAHLLOKOSA-N	0	0	390.432	2.706	1	10	biogenic,in-vitro	GFCFRN
COC(=O)c1c2c(ccc1OC(C)=O)n(C)c1c2C(=O)c2ccccc2C1=O	ZINC000001663205	212251657	/nfs/dbraw/zinc/25/16/57/212251657.db2.gz	VMJOJQRDSMBNTK-UHFFFAOYSA-N	0	0	377.352	2.666	1	10		GFCFRN
CCOC(=O)c1c(N)n(-c2ccc(F)c(F)c2)c2c1C(=O)c1cccnc1C2=O	ZINC000040935379	205075231	/nfs/dbraw/zinc/07/52/31/205075231.db2.gz	LOQCVFZMBQTWCJ-UHFFFAOYSA-N	0	0	397.337	2.685	1	10		GFCFRN
COc1cc2c(c(O)c1O)-c1c(cc(OC)c(O)c1O)CC(C)([C@H](C)O)C2	ZINC000049068559	205125503	/nfs/dbraw/zinc/12/55/03/205125503.db2.gz	ZFQNFMQTEKLASN-VIFPVBQESA-N	0	0	376.405	2.679	1	10		GFCFRN
CC1=NN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2O)C1	ZINC000071340437	205282965	/nfs/dbraw/zinc/28/29/65/205282965.db2.gz	HMSFBHVDDUACRP-KRWDZBQOSA-N	0	0	389.433	2.996	1	10		GFCFRN
CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000066066568	535571714	/nfs/dbraw/zinc/57/17/14/535571714.db2.gz	ABMLXZMBXFNUHK-UHFFFAOYSA-N	0	0	392.459	3.000	1	10		GFCFRN
O=C(Cc1cc(O)c(O)c(O)c1)C1c2cccc(O)c2C(=O)c2c(O)cccc21	ZINC000003810338	204020387	/nfs/dbraw/zinc/02/03/87/204020387.db2.gz	HYUVUMMAOVZCFV-UHFFFAOYSA-N	0	0	392.363	2.703	1	10		GFCFRN
Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2c1cccc2Br	ZINC000028955039	204884185	/nfs/dbraw/zinc/88/41/85/204884185.db2.gz	MNWXBITVQKJCIF-UITAMQMPSA-N	0	0	388.250	2.710	1	10		GFCFRN
CN1c2cccc(C(N)=O)c2Nc2c(C(=O)c3ccccc3)ccc(C(N)=O)c21	ZINC000103241596	136190872	/nfs/dbraw/zinc/19/08/72/136190872.db2.gz	LYHOSEPTWGRSRB-UHFFFAOYSA-N	0	0	386.411	2.940	1	10		GFCFRN
CC(C)(Oc1ccc(N2CCN(c3ccc(C(N)=[NH2+])cc3)CC2)cc1)C(=O)[O-]	ZINC000029330062	207360119	/nfs/dbraw/zinc/36/01/19/207360119.db2.gz	RIYLVDLBEBUUON-UHFFFAOYSA-N	0	0	382.464	2.539	1	10		GFCFRN
CCOC(=O)c1c2ccccn2c2c1C(=O)c1sc(C(=O)OC)cc1C2=O	ZINC000084711335	208099084	/nfs/dbraw/zinc/09/90/84/208099084.db2.gz	YPAPCBVMUWXBRS-UHFFFAOYSA-N	0	0	383.381	2.740	1	10		GFCFRN
O=C(OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(O)cc1	ZINC000103236892	208420651	/nfs/dbraw/zinc/42/06/51/208420651.db2.gz	JNAZKJLAUIOKDJ-UHFFFAOYSA-N	0	0	390.347	2.936	1	10		GFCFRN
NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(n2)C(=O)C(N)=CC3=O)n1	ZINC000028530870	207344356	/nfs/dbraw/zinc/34/43/56/207344356.db2.gz	UOASSCVCKGCNIO-UHFFFAOYSA-N	0	0	383.367	2.992	1	10		GFCFRN
COc1cc2c(c(OC)c1OC)C(=O)c1cc(OC)c(OC)c(OC)c1C2=O	ZINC000029568388	207364269	/nfs/dbraw/zinc/36/42/69/207364269.db2.gz	HUWWGCFJAFAAHJ-UHFFFAOYSA-N	0	0	388.372	2.514	1	10		GFCFRN
Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2cc(Br)ccc21	ZINC000028955009	207350429	/nfs/dbraw/zinc/35/04/29/207350429.db2.gz	YTWDDCKDXYRRKH-WCIBSUBMSA-N	0	0	388.250	2.710	1	10		GFCFRN
COc1ccc(N2CCN(C(=O)c3cnc4cc(C(C)=O)[nH]c4c3)CC2)cc1	ZINC000072323352	536688996	/nfs/dbraw/zinc/68/89/96/536688996.db2.gz	OWVAWVKNJOPLMW-UHFFFAOYSA-N	0	0	378.432	2.737	2	10		GFCFRN
COc1ccc(N2CCN(C(=O)c3cnc4[nH]c(C(C)=O)cc4c3)CC2)cc1	ZINC000072323848	536689441	/nfs/dbraw/zinc/68/94/41/536689441.db2.gz	MTEAICRTUIAWIV-UHFFFAOYSA-N	0	0	378.432	2.737	2	10		GFCFRN
CCCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O	ZINC000013378461	210061401	/nfs/dbraw/zinc/06/14/01/210061401.db2.gz	AEDYCMURUGEFML-UHFFFAOYSA-N	0	0	396.395	2.962	1	10	in-vitro	GFCFRN
COc1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c43)CC2)cc1	ZINC000095605872	211282779	/nfs/dbraw/zinc/28/27/79/211282779.db2.gz	GUHMWSVGSXKDFA-UHFFFAOYSA-N	0	0	397.504	2.703	1	10		GFCFRN
O=C1c2ccccc2-c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc4c(c3)OCCO4)c21	ZINC000071329813	211045233	/nfs/dbraw/zinc/04/52/33/211045233.db2.gz	WRGAVYAHRLIFSD-UHFFFAOYSA-N	0	0	399.362	2.673	1	10		GFCFRN
CC(=O)N(C)[C@@H](c1nnnn1-c1c(C)cccc1C)c1ccc(N(C)C)cc1	ZINC000006995592	209713276	/nfs/dbraw/zinc/71/32/76/209713276.db2.gz	GZGLRVHTXGNYOZ-HXUWFJFHSA-N	0	0	378.480	2.913	3	10		GFCFRN
COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC)c2)ccc1O	ZINC000015113775	291121480	/nfs/dbraw/zinc/12/14/80/291121480.db2.gz	JHWWZAIWXYIMDH-MRXNPFEDSA-N	0	0	390.432	2.706	1	10	biogenic,in-vitro	GFCFRN
COc1ccc(N2CCN(C(=O)c3sc4[nH]c(C)nc(=O)c4c3C)CC2)cc1	ZINC000017723958	210210145	/nfs/dbraw/zinc/21/01/45/210210145.db2.gz	TXWYLCNGZUBICQ-UHFFFAOYSA-N	0	0	398.488	2.572	1	10		GFCFRN
C/C=C1/C[N+]2([O-])CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913517	291117711	/nfs/dbraw/zinc/11/77/11/291117711.db2.gz	JNZLOBNRRLPTPF-NKSPYJHVSA-N	0	0	384.476	2.607	1	10	biogenic,in-vitro	GFCFRN
COC(=O)[C@]12O[C@@]1(CC(CO)=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O	ZINC000085592735	291120996	/nfs/dbraw/zinc/12/09/96/291120996.db2.gz	CZTCGNBYPMEYIO-VXKWHMMOSA-N	0	0	386.444	2.664	1	10	biogenic,in-vitro	GFCFRN
Cc1cc2cc(C(=O)NCCCN3CCOCC3)c(=O)oc2c2ccccc12	ZINC000073158833	211124382	/nfs/dbraw/zinc/12/43/82/211124382.db2.gz	AHTSSELUFJXDDG-UHFFFAOYSA-N	0	0	380.444	2.707	1	10		GFCFRN
NC(=[NH2+])c1ccc(N2CCN(c3ccc(OCCCC(=O)[O-])cc3)CC2)cc1	ZINC000029320648	210543298	/nfs/dbraw/zinc/54/32/98/210543298.db2.gz	VAVWDLFZQRNDFL-UHFFFAOYSA-N	0	0	382.464	2.541	1	10		GFCFRN
C/C=C1/C[N+]2([O-])CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC	ZINC000136887756	717150963	/nfs/dbraw/zinc/15/09/63/717150963.db2.gz	JNZLOBNRRLPTPF-SFXJXQFTSA-N	0	0	384.476	2.607	1	10		GFCFRN
CS(=O)(=O)NCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000084689829	222320191	/nfs/dbraw/zinc/32/01/91/222320191.db2.gz	ZLZWYXYXWXUXRL-UHFFFAOYSA-N	0	0	396.468	2.542	1	10		GFCFRN
Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c1cccc2Br	ZINC000036338806	221850209	/nfs/dbraw/zinc/85/02/09/221850209.db2.gz	VFACNRBXTRCDIR-XFFZJAGNSA-N	0	0	382.221	2.648	1	10		GFCFRN
C/C=C(\C)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1	ZINC000066258345	222138546	/nfs/dbraw/zinc/13/85/46/222138546.db2.gz	VGROGMRGJLDCQI-RZYNZAFVSA-N	0	0	388.372	2.769	1	10		GFCFRN
CCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2	ZINC000027868113	221662566	/nfs/dbraw/zinc/66/25/66/221662566.db2.gz	RPFBINZWMVIOJL-UHFFFAOYSA-N	0	0	391.427	2.673	1	10		GFCFRN