smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c(C(=O)c2ccccc2C)c(O)c1	ZINC000096319156	178195083	/nfs/dbraw/zinc/19/50/83/178195083.db2.gz	YQMBGZHMGROJMA-UHFFFAOYSA-N	-1	1	242.274	2.946	50	0		BFAAMM
O=c1cc(-c2cccnc2)c2ccc([O-])cc2o1	ZINC000000153917	342677433	/nfs/dbraw/zinc/67/74/33/342677433.db2.gz	NXHVMYDCZZUVML-UHFFFAOYSA-N	-1	1	239.230	2.561	50	0		BFAAMM
Cc1ccc(C(=O)c2ccc([O-])cc2)cc1	ZINC000001587596	342704440	/nfs/dbraw/zinc/70/44/40/342704440.db2.gz	HPJMSFQWRMTUHT-UHFFFAOYSA-N	-1	1	212.248	2.932	50	0		BFAAMM
Cc1cc(=O)n(-c2cc(Cl)ccc2Cl)[n-]1	ZINC000006474420	342778186	/nfs/dbraw/zinc/77/81/86/342778186.db2.gz	MSNMEZSDLXYGAB-UHFFFAOYSA-N	-1	1	243.093	2.781	50	0		BFAAMM
CC(C)c1n[n-]c(=S)n1Cc1ccco1	ZINC000012505075	342852778	/nfs/dbraw/zinc/85/27/78/342852778.db2.gz	QBWGYOBIJCHIGP-UHFFFAOYSA-N	-1	1	223.301	2.705	50	0		BFAAMM
CCCCSc1nc2c(c(=O)[n-]1)CCCC2	ZINC000011905556	345062672	/nfs/dbraw/zinc/06/26/72/345062672.db2.gz	YJVTWMHDJWNUCF-UHFFFAOYSA-N	-1	1	238.356	2.541	50	0		BFAAMM
CCCCCCC(CC)(C(=O)[O-])C(=O)O	ZINC000001734076	346470966	/nfs/dbraw/zinc/47/09/66/346470966.db2.gz	ZFUULEVFTWFFKQ-UHFFFAOYSA-N	-1	1	216.277	2.522	50	0		BFAAMM
CCCCOc1cc(F)c([O-])cc1F	ZINC000261493499	351119456	/nfs/dbraw/zinc/11/94/56/351119456.db2.gz	CGUUJLCGHBDABY-UHFFFAOYSA-N	-1	1	202.200	2.849	50	0		BFAAMM
O=C1[N-]C(=S)SC1=Cc1ccoc1	ZINC000002573471	183024678	/nfs/dbraw/zinc/02/46/78/183024678.db2.gz	BOLSPCFXBKVASD-ZZXKWVIFSA-N	-1	1	211.267	2.609	50	0		BFAAMM
[O-]c1cc2cc[nH]c2cc1Br	ZINC000013379625	183262406	/nfs/dbraw/zinc/26/24/06/183262406.db2.gz	URERMTGVHAWORS-UHFFFAOYSA-N	-1	1	212.046	2.636	50	0		BFAAMM
[O-]c1ccc2ncccc2c1Br	ZINC000001020147	183286149	/nfs/dbraw/zinc/28/61/49/183286149.db2.gz	HQEFDTSINGDBKQ-UHFFFAOYSA-N	-1	1	224.057	2.703	50	0		BFAAMM
CCCSc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000005154808	169341299	/nfs/dbraw/zinc/34/12/99/169341299.db2.gz	VFIKLZYYOIERQP-UHFFFAOYSA-N	-1	1	246.335	2.939	50	0		BFAAMM
CCCc1cc(=O)n(-c2ccc(F)cc2)[n-]1	ZINC000100429032	169567561	/nfs/dbraw/zinc/56/75/61/169567561.db2.gz	HFIIXKCSPUZGFN-UHFFFAOYSA-N	-1	1	220.247	2.670	50	0		BFAAMM
O=C1c2ccccc2CCc2cc([O-])ccc21	ZINC000002244331	383956453	/nfs/dbraw/zinc/95/64/53/383956453.db2.gz	MSGQRAAQALHWFA-UHFFFAOYSA-N	-1	1	224.259	2.722	50	0		BFAAMM
O=c1cc(-c2ccc(-c3ccccc3)cc2)[n-][nH]1	ZINC000100028475	384610979	/nfs/dbraw/zinc/61/09/79/384610979.db2.gz	PGJQRTHXGLIPQM-UHFFFAOYSA-N	-1	1	236.274	2.578	50	0		BFAAMM
CC(=O)c1cc(Cl)c(Cl)cc1[O-]	ZINC000034168446	385273574	/nfs/dbraw/zinc/27/35/74/385273574.db2.gz	LZDZGKFMOJUAKB-UHFFFAOYSA-N	-1	1	205.040	2.902	50	0		BFAAMM
C[C@H](NC(=O)c1c([O-])cccc1F)c1ccco1	ZINC000163638130	388382535	/nfs/dbraw/zinc/38/25/35/388382535.db2.gz	RMRAUVYKVJFXTK-QMMMGPOBSA-N	-1	1	249.241	2.615	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccccc1C	ZINC000001306180	172130441	/nfs/dbraw/zinc/13/04/41/172130441.db2.gz	JRKZFRVTJOFXHV-UHFFFAOYSA-N	-1	1	219.313	2.936	50	0		BFAAMM
S=c1[n-]nc(C=Cc2ccccc2)[nH]1	ZINC000083302597	643530996	/nfs/dbraw/zinc/53/09/96/643530996.db2.gz	ALHGVKAIXXQXJE-SREVYHEPSA-N	-1	1	203.270	2.638	50	0		BFAAMM
O=C(c1cc(Cl)ccc1[O-])N1CCCCC1	ZINC000012978750	342862511	/nfs/dbraw/zinc/86/25/11/342862511.db2.gz	DAHVZZJAJMUCLX-UHFFFAOYSA-N	-1	1	239.702	2.672	50	0		BFAAMM
[O-]c1coc2c1cc(Cl)cc2Cl	ZINC000016083117	342905776	/nfs/dbraw/zinc/90/57/76/342905776.db2.gz	UUSSNGDCNFQCII-UHFFFAOYSA-N	-1	1	203.024	2.569	50	0		BFAAMM
Cn1c(=S)[n-]nc1[C@@H]1C[C@@H]1c1ccccc1	ZINC000015933418	342903312	/nfs/dbraw/zinc/90/33/12/342903312.db2.gz	DHIIASXOBAVUMS-NXEZZACHSA-N	-1	1	231.324	2.749	50	0		BFAAMM
Cc1ccccc1NC(=O)c1ccccc1[O-]	ZINC000000247391	179302807	/nfs/dbraw/zinc/30/28/07/179302807.db2.gz	CPURJBKOYYYKJL-UHFFFAOYSA-N	-1	1	227.263	2.953	50	0		BFAAMM
CC(C)(C)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000052068573	350901763	/nfs/dbraw/zinc/90/17/63/350901763.db2.gz	BZBGSBLIBCMWRG-UHFFFAOYSA-N	-1	1	214.211	2.899	50	0		BFAAMM
CC[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000001689014	357146149	/nfs/dbraw/zinc/14/61/49/357146149.db2.gz	RQYXVZYBAZYMNB-SSDOTTSWSA-N	-1	1	227.691	2.574	50	0		BFAAMM
O=C(Nc1ccc([O-])c(Cl)c1)C(F)(F)F	ZINC000097060417	182359533	/nfs/dbraw/zinc/35/95/33/182359533.db2.gz	PLCCFUBYVLUWPI-UHFFFAOYSA-N	-1	1	239.580	2.546	50	0		BFAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(O)cc1	ZINC000015933443	183024599	/nfs/dbraw/zinc/02/45/99/183024599.db2.gz	RAYIDZVPIAJJPF-VMPITWQZSA-N	-1	1	237.305	2.721	50	0		BFAAMM
[O-]c1ccc(Br)cc1Cl	ZINC000000064966	183266994	/nfs/dbraw/zinc/26/69/94/183266994.db2.gz	VIBJPUXLAKVICD-UHFFFAOYSA-N	-1	1	207.454	2.808	50	0	in-vitro	BFAAMM
COCCn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000006412718	384153092	/nfs/dbraw/zinc/15/30/92/384153092.db2.gz	CIXNCXDSJYUDNE-UHFFFAOYSA-N	-1	1	249.339	2.563	50	0		BFAAMM
C[C@@H]1C[C@@H]1c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000096920954	388828573	/nfs/dbraw/zinc/82/85/73/388828573.db2.gz	FSWLCORFLUTWKN-YTMPCORTSA-N	-1	1	249.291	2.727	50	0		BFAAMM
CCc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000103316152	410889197	/nfs/dbraw/zinc/88/91/97/410889197.db2.gz	CSWKRPDFXPKSRN-LBPRGKRZSA-N	-1	1	216.284	2.744	50	0		BFAAMM
C[C@@H](Oc1ccccc1)c1n[n-]c(=S)n1C	ZINC000005954528	176005836	/nfs/dbraw/zinc/00/58/36/176005836.db2.gz	OBQMSUPVWZLDOP-MRVPVSSYSA-N	-1	1	235.312	2.618	50	0		BFAAMM
CCOc1ccc2[nH]c3nc(=S)[n-]nc3c2c1	ZINC000006499745	342778512	/nfs/dbraw/zinc/77/85/12/342778512.db2.gz	UQLHTRJVIHDXOM-UHFFFAOYSA-N	-1	1	246.295	2.567	50	0		BFAAMM
Cc1ccc2c(n1)sc1c2[nH]c([O-])cc1=O	ZINC000012462685	342852523	/nfs/dbraw/zinc/85/25/23/342852523.db2.gz	NUEZBCKNVWZLJA-UHFFFAOYSA-N	-1	1	232.264	2.564	50	0		BFAAMM
CC(N=Nc1ccccc1C(=O)[O-])c1ccco1	ZINC000004587185	342909400	/nfs/dbraw/zinc/90/94/00/342909400.db2.gz	HKRCYYVKRGMQDN-NTEUORMPSA-N	-1	1	244.250	2.814	50	0		BFAAMM
CC(C)Cc1ccc(-c2cc(=O)[nH][n-]2)cc1	ZINC000000036301	187244558	/nfs/dbraw/zinc/24/45/58/187244558.db2.gz	AXPYVDKDSBGYSR-UHFFFAOYSA-N	-1	1	216.284	2.981	50	0		BFAAMM
Cc1cccc(Oc2c[nH]c(=S)[n-]c2=O)c1	ZINC000039260749	343387624	/nfs/dbraw/zinc/38/76/24/343387624.db2.gz	BTHLFOGNSHDSKT-UHFFFAOYSA-N	-1	1	234.280	2.946	50	0		BFAAMM
C[C@@H](CCc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000006249537	344387372	/nfs/dbraw/zinc/38/73/72/344387372.db2.gz	MDBNHAHKSSMQME-VIFPVBQESA-N	-1	1	245.244	2.686	50	0		BFAAMM
CCc1cc(=O)[n-]c(Nc2ccc(C)c(C)c2)n1	ZINC000011903435	345061283	/nfs/dbraw/zinc/06/12/83/345061283.db2.gz	UORVOXWVMGDNGG-UHFFFAOYSA-N	-1	1	243.310	2.693	50	0		BFAAMM
Cc1cccc(NC(=O)c2ccccc2[O-])c1	ZINC000005418798	188277782	/nfs/dbraw/zinc/27/77/82/188277782.db2.gz	MRVOFXWTGKUCRX-UHFFFAOYSA-N	-1	1	227.263	2.953	50	0		BFAAMM
Cc1ccc(CSc2nc(C)cc(=O)[n-]2)cc1	ZINC000016292506	356938660	/nfs/dbraw/zinc/93/86/60/356938660.db2.gz	PQWDRHSDZGPZMY-UHFFFAOYSA-N	-1	1	246.335	2.679	50	0		BFAAMM
CCCCSc1nc(C)c(CCC)c(=O)[n-]1	ZINC000008767789	372891625	/nfs/dbraw/zinc/89/16/25/372891625.db2.gz	KJKFPKOVYVBFKR-UHFFFAOYSA-N	-1	1	240.372	2.923	50	0		BFAAMM
Cc1cc(=O)[n-]c(S/C=C/c2ccccc2)n1	ZINC000008772740	372892786	/nfs/dbraw/zinc/89/27/86/372892786.db2.gz	FDEIXCIVOCVFTJ-BQYQJAHWSA-N	-1	1	244.319	2.841	50	0		BFAAMM
O=C(Cc1ccccc1)c1ccc([O-])cc1	ZINC000000134606	182045106	/nfs/dbraw/zinc/04/51/06/182045106.db2.gz	JBQTZLNCDIFCCO-UHFFFAOYSA-N	-1	1	212.248	2.818	50	0		BFAAMM
O=C1[N-]C(=O)C(=CC=Cc2ccccc2)S1	ZINC000009332771	373977532	/nfs/dbraw/zinc/97/75/32/373977532.db2.gz	XABHYXPBBJGVRA-DAAQNPAKSA-N	-1	1	231.276	2.567	50	0		BFAAMM
[O-]c1cc(Cl)ccc1Br	ZINC000002512340	183259118	/nfs/dbraw/zinc/25/91/18/183259118.db2.gz	FMRKYXVZQWHGDA-UHFFFAOYSA-N	-1	1	207.454	2.808	50	0		BFAAMM
S=c1[n-]nc(C=Cc2cccs2)[nH]1	ZINC000012505279	183314988	/nfs/dbraw/zinc/31/49/88/183314988.db2.gz	ZSJRVSLDYPQLLA-ONEGZZNKSA-N	-1	1	209.299	2.699	50	0		BFAAMM
CC(C)CCNC(=O)c1cc(Cl)ccc1[O-]	ZINC000012912348	384341313	/nfs/dbraw/zinc/34/13/13/384341313.db2.gz	VDEZGJAKWQJMSN-UHFFFAOYSA-N	-1	1	241.718	2.822	50	0		BFAAMM
Cc1[nH]c(=S)[n-]c(=O)c1Oc1ccccc1	ZINC000013477657	384363730	/nfs/dbraw/zinc/36/37/30/384363730.db2.gz	AVWWFBNCPYFQCD-UHFFFAOYSA-N	-1	1	234.280	2.533	50	0		BFAAMM
O=c1cc([O-])c2ccccc2n1-c1ccccc1	ZINC000100293608	384631294	/nfs/dbraw/zinc/63/12/94/384631294.db2.gz	JGYPPHHQPBWHTM-UHFFFAOYSA-N	-1	1	237.258	2.938	50	0		BFAAMM
Cc1oc2cc(Cl)cc(Cl)c2c1[O-]	ZINC000105738372	384713957	/nfs/dbraw/zinc/71/39/57/384713957.db2.gz	BFNCFKZINSTEPA-SCSAIBSYSA-N	-1	1	217.051	2.957	50	0		BFAAMM
Cc1cc(=O)[n-]c(SCc2ccccc2C)n1	ZINC000015906531	177710612	/nfs/dbraw/zinc/71/06/12/177710612.db2.gz	NCLSIUMTGOSZEC-UHFFFAOYSA-N	-1	1	246.335	2.679	50	0		BFAAMM
CC(C)Sc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000013111191	167338850	/nfs/dbraw/zinc/33/88/50/167338850.db2.gz	BWCDXFKHHAJBLH-UHFFFAOYSA-N	-1	1	246.335	2.937	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1cccc(OC)c1	ZINC000005967889	172130294	/nfs/dbraw/zinc/13/02/94/172130294.db2.gz	OZWCNURSMYNBPE-UHFFFAOYSA-N	-1	1	235.312	2.636	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1cccc(C)c1	ZINC000000617399	172131093	/nfs/dbraw/zinc/13/10/93/172131093.db2.gz	DWIGEOFJARIEDR-UHFFFAOYSA-N	-1	1	219.313	2.936	50	0		BFAAMM
C[N-]C(=S)SCCOc1ccccc1C	ZINC000008829723	173316647	/nfs/dbraw/zinc/31/66/47/173316647.db2.gz	IOLVWYJAIWRQKL-UHFFFAOYSA-N	-1	1	241.381	2.611	50	0		BFAAMM
C[C@H](Oc1ccccc1)c1n[n-]c(=S)n1C	ZINC000005912058	177024564	/nfs/dbraw/zinc/02/45/64/177024564.db2.gz	OBQMSUPVWZLDOP-QMMMGPOBSA-N	-1	1	235.312	2.618	50	0		BFAAMM
Cc1cc(=O)n(-c2ccc(F)c(Cl)c2)[n-]1	ZINC000100166293	178201410	/nfs/dbraw/zinc/20/14/10/178201410.db2.gz	NRSPUGAZMDBULT-UHFFFAOYSA-N	-1	1	226.638	2.679	50	0		BFAAMM
Cc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000001440600	342701127	/nfs/dbraw/zinc/70/11/27/342701127.db2.gz	QMLRNTPTRWMCOP-UHFFFAOYSA-N	-1	1	227.263	2.953	50	0		BFAAMM
O=C1CCCc2cc3cccc(O)c3c([O-])c21	ZINC000004804311	342752356	/nfs/dbraw/zinc/75/23/56/342752356.db2.gz	IFADZYPDPVTFAT-UHFFFAOYSA-N	-1	1	228.247	2.770	50	0	in-vitro	BFAAMM
Fc1ccc(-n2ncc3c2nc[n-]c3=S)cc1	ZINC000012583006	342855007	/nfs/dbraw/zinc/85/50/07/342855007.db2.gz	CUQSGIOVKIRVCF-UHFFFAOYSA-N	-1	1	246.270	2.617	50	0		BFAAMM
Cn1c(=S)[n-]nc1[C@H]1C[C@H]1c1ccccc1	ZINC000015933420	342903419	/nfs/dbraw/zinc/90/34/19/342903419.db2.gz	DHIIASXOBAVUMS-UWVGGRQHSA-N	-1	1	231.324	2.749	50	0		BFAAMM
C[C@H](CCc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000006252482	344389836	/nfs/dbraw/zinc/38/98/36/344389836.db2.gz	MDBNHAHKSSMQME-SECBINFHSA-N	-1	1	245.244	2.686	50	0		BFAAMM
Cc1ccccc1C(=O)c1ccc(O)c(C)c1[O-]	ZINC000000345840	179253998	/nfs/dbraw/zinc/25/39/98/179253998.db2.gz	OEYUQGVMDMJBNO-UHFFFAOYSA-N	-1	1	242.274	2.946	50	0		BFAAMM
Cc1nc2c(cnn2-c2ccccc2)c(=S)[n-]1	ZINC000005730851	180070441	/nfs/dbraw/zinc/07/04/41/180070441.db2.gz	QFKKQRAXWCUWTD-UHFFFAOYSA-N	-1	1	242.307	2.787	50	0		BFAAMM
CC(C)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000052068539	350901834	/nfs/dbraw/zinc/90/18/34/350901834.db2.gz	XZIBIHUKCYPJFJ-UHFFFAOYSA-N	-1	1	200.184	2.509	50	0		BFAAMM
Cn1c(CC2CCCCC2)n[n-]c1=S	ZINC000006319617	188278320	/nfs/dbraw/zinc/27/83/20/188278320.db2.gz	QCXFKLJDFZTMCD-UHFFFAOYSA-N	-1	1	211.334	2.600	50	0		BFAAMM
Nc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1	ZINC000017060408	181696639	/nfs/dbraw/zinc/69/66/39/181696639.db2.gz	PHQBXCTZDRMXMX-UHFFFAOYSA-N	-1	1	237.262	2.585	50	0	in-vitro	BFAAMM
O=C(Cc1ccccc1)c1ccc([O-])cc1O	ZINC000000117559	182044956	/nfs/dbraw/zinc/04/49/56/182044956.db2.gz	VFQKAJVKZKHVPD-UHFFFAOYSA-N	-1	1	228.247	2.523	50	0	biogenic,in-vitro	BFAAMM
O=c1ccnc(Nc2cccc3ccccc32)[n-]1	ZINC000004368106	183005536	/nfs/dbraw/zinc/00/55/36/183005536.db2.gz	JRLQLKTVGXVLOW-UHFFFAOYSA-N	-1	1	237.262	2.667	50	0		BFAAMM
[O-]c1ccc(Cl)cc1-c1csnn1	ZINC000004343263	183271695	/nfs/dbraw/zinc/27/16/95/183271695.db2.gz	XDEAAEHLSPSZCX-UHFFFAOYSA-N	-1	1	212.661	2.564	50	0		BFAAMM
[O-]c1cc(Cl)c(F)c(Br)c1	ZINC000216703919	183256499	/nfs/dbraw/zinc/25/64/99/183256499.db2.gz	YBLPEACXXWQZDV-UHFFFAOYSA-N	-1	1	225.444	2.947	50	0		BFAAMM
[O-]c1ccc2ccncc2c1Br	ZINC000039119744	183285030	/nfs/dbraw/zinc/28/50/30/183285030.db2.gz	IWMFRPFEEWSQIY-UHFFFAOYSA-N	-1	1	224.057	2.703	50	0		BFAAMM
O=C(c1ccc([O-])cc1F)N1CCC2(CCC2)C1	ZINC000097046612	384595452	/nfs/dbraw/zinc/59/54/52/384595452.db2.gz	BDMBGFBIVBXJLG-UHFFFAOYSA-N	-1	1	249.285	2.548	50	0		BFAAMM
COc1ncccc1-c1ccc(F)cc1[O-]	ZINC000067473297	385632850	/nfs/dbraw/zinc/63/28/50/385632850.db2.gz	NFHCLCZFQKFKMP-UHFFFAOYSA-N	-1	1	219.215	2.602	50	0		BFAAMM
C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccco1	ZINC000163638247	388382618	/nfs/dbraw/zinc/38/26/18/388382618.db2.gz	RMRAUVYKVJFXTK-MRVPVSSYSA-N	-1	1	249.241	2.615	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccccc1	ZINC000000177784	172130913	/nfs/dbraw/zinc/13/09/13/172130913.db2.gz	TWQMMYPNEWSRLM-UHFFFAOYSA-N	-1	1	205.286	2.628	50	0		BFAAMM
CC(C)c1ccc(CNn2cn[n-]c2=S)cc1	ZINC000005901992	487521806	/nfs/dbraw/zinc/52/18/06/487521806.db2.gz	IRCSQYKZRHWKFE-UHFFFAOYSA-N	-1	1	248.355	2.808	50	0		BFAAMM
Cc1cc([O-])c(F)c(Br)c1	ZINC000042750078	178197550	/nfs/dbraw/zinc/19/75/50/178197550.db2.gz	QHVGXKWNWNRIIM-UHFFFAOYSA-N	-1	1	205.026	2.602	50	0		BFAAMM
Cc1ccc(C=Cc2n[n-]c(=S)[nH]2)o1	ZINC000008981636	178355866	/nfs/dbraw/zinc/35/58/66/178355866.db2.gz	YDNYUEONBNKKRC-SNAWJCMRSA-N	-1	1	207.258	2.539	50	0		BFAAMM
Cc1ccc(C=Cc2n[n-]c(=S)[nH]2)cc1	ZINC000016735446	178356487	/nfs/dbraw/zinc/35/64/87/178356487.db2.gz	RXGZUZMDXOMBEX-VOTSOKGWSA-N	-1	1	217.297	2.946	50	0		BFAAMM
O=C(c1ccc([O-])cc1)c1ccccc1F	ZINC000000156427	342678086	/nfs/dbraw/zinc/67/80/86/342678086.db2.gz	FHFDJJWFCDGBEM-UHFFFAOYSA-N	-1	1	216.211	2.762	50	0		BFAAMM
Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000000405618	342686930	/nfs/dbraw/zinc/68/69/30/342686930.db2.gz	UOPLDEWGEPWRMH-UHFFFAOYSA-N	-1	1	247.319	2.796	50	0		BFAAMM
FC(F)c1n[n-]c(C(F)F)c1Cl	ZINC000002537003	342723298	/nfs/dbraw/zinc/72/32/98/342723298.db2.gz	GVNPAXKOYSBIBT-UHFFFAOYSA-N	-1	1	202.538	2.938	50	0		BFAAMM
CC(=O)c1ccc([O-])cc1C(F)(F)F	ZINC000002572873	342725080	/nfs/dbraw/zinc/72/50/80/342725080.db2.gz	GKBDTFVRRWGDQM-UHFFFAOYSA-N	-1	1	204.147	2.614	50	0		BFAAMM
CC(C)c1cc(=O)oc2cc([O-])ccc21	ZINC000003344962	342732760	/nfs/dbraw/zinc/73/27/60/342732760.db2.gz	ZPZNGNXYGLIIKR-UHFFFAOYSA-N	-1	1	204.225	2.622	50	0		BFAAMM
Cc1cc(Cl)cc2c(=O)c(C(=O)[O-])c[nH]c12	ZINC000005687174	342768482	/nfs/dbraw/zinc/76/84/82/342768482.db2.gz	DPLKYWZNVGBVNR-UHFFFAOYSA-N	-1	1	237.642	2.600	50	0		BFAAMM
Cc1cc(Cl)cc2c(=O)c(C(=O)O)c[n-]c12	ZINC000005687174	342768483	/nfs/dbraw/zinc/76/84/83/342768483.db2.gz	DPLKYWZNVGBVNR-UHFFFAOYSA-N	-1	1	237.642	2.600	50	0		BFAAMM
CC(C=C1SC(=O)[N-]C1=O)=Cc1ccccc1	ZINC000012342792	187250979	/nfs/dbraw/zinc/25/09/79/187250979.db2.gz	XWGJEYLUCQLPAT-BIZFVBGRSA-N	-1	1	245.303	2.957	50	0		BFAAMM
CCc1cc(=O)n(-c2cccc(Cl)c2)[n-]1	ZINC000034937027	343281471	/nfs/dbraw/zinc/28/14/71/343281471.db2.gz	WTRGVMLNMOZMIF-UHFFFAOYSA-N	-1	1	222.675	2.843	50	0		BFAAMM
Cc1oc2cc(Cl)cc(Cl)c2c1[O-]	ZINC000043633269	343631884	/nfs/dbraw/zinc/63/18/84/343631884.db2.gz	BFNCFKZINSTEPA-BYPYZUCNSA-N	-1	1	217.051	2.957	50	0		BFAAMM
Cc1ccc2nc(-c3cccs3)[n-]c(=O)c2c1	ZINC000077257205	187280004	/nfs/dbraw/zinc/28/00/04/187280004.db2.gz	FUYXHSRHNVHODC-UHFFFAOYSA-N	-1	1	242.303	2.960	50	0		BFAAMM
O=c1c([O-])c(-c2ccco2)oc2ccccc12	ZINC000000115144	344549709	/nfs/dbraw/zinc/54/97/09/344549709.db2.gz	HBOLZGZNJWPFQR-UHFFFAOYSA-N	-1	1	228.203	2.759	50	0		BFAAMM
CCCCCC(=O)c1ccc([O-])cc1O	ZINC000001635607	168643382	/nfs/dbraw/zinc/64/33/82/168643382.db2.gz	SKUFHZAEFGZSQK-UHFFFAOYSA-N	-1	1	208.257	2.861	50	0		BFAAMM
COc1cc([O-])c(Cl)cc1Br	ZINC000261494021	491106900	/nfs/dbraw/zinc/10/69/00/491106900.db2.gz	OCBTVVTVZLPKBI-UHFFFAOYSA-N	-1	1	237.480	2.817	50	0		BFAAMM
O=c1cc(-c2ccccc2)n(-c2ccccc2)[n-]1	ZINC000000185933	368514553	/nfs/dbraw/zinc/51/45/53/368514553.db2.gz	UDVCBWHKPVRDRP-UHFFFAOYSA-N	-1	1	236.274	2.833	50	0		BFAAMM
Cc1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)o1	ZINC000077257377	370404580	/nfs/dbraw/zinc/40/45/80/370404580.db2.gz	VHPZPXVRPSNQFS-UHFFFAOYSA-N	-1	1	240.262	2.800	50	0		BFAAMM
[O-]c1cc(Br)ccc1-c1ccno1	ZINC000044672057	183256958	/nfs/dbraw/zinc/25/69/58/183256958.db2.gz	YJGJGKRRLVASSN-UHFFFAOYSA-N	-1	1	240.056	2.810	50	0		BFAAMM
S=c1[n-]nc(-c2ccco2)n1C1CC1	ZINC000013729064	183314755	/nfs/dbraw/zinc/31/47/55/183314755.db2.gz	IYJOSWSCBSTSPY-UHFFFAOYSA-N	-1	1	207.258	2.536	50	0		BFAAMM
Cc1ccnc(Sc2ncccc2[O-])c1	ZINC000000335066	383856281	/nfs/dbraw/zinc/85/62/81/383856281.db2.gz	BMYCAYOVNPTJBQ-UHFFFAOYSA-N	-1	1	218.281	2.642	50	0		BFAAMM
O=[P@]([O-])(O)Cc1c(Cl)cccc1Cl	ZINC000002178963	383957206	/nfs/dbraw/zinc/95/72/06/383957206.db2.gz	CPPHQOFUDIOVLN-UHFFFAOYSA-N	-1	1	241.010	2.671	50	0		BFAAMM
Cc1nc(-c2ccc([O-])c(F)c2)cs1	ZINC000012879609	384341944	/nfs/dbraw/zinc/34/19/44/384341944.db2.gz	NBDXQEHDLAFUAQ-UHFFFAOYSA-N	-1	1	209.245	2.963	50	0		BFAAMM
O=C(c1ccc([O-])c(F)c1)N1CCCCC12CC2	ZINC000218938757	385913851	/nfs/dbraw/zinc/91/38/51/385913851.db2.gz	CSLWYHGPMJRIDD-UHFFFAOYSA-N	-1	1	249.285	2.690	50	0		BFAAMM
Cc1ccc(Nc2nc(C)c(C)c(=O)[n-]2)cc1C	ZINC000066324451	398091497	/nfs/dbraw/zinc/09/14/97/398091497.db2.gz	XLZOAIQEJKGKCB-UHFFFAOYSA-N	-1	1	243.310	2.747	50	0		BFAAMM
CCOC(=O)c1c[n-]c2nc(C)ccc2c1=S	ZINC000021147364	170289921	/nfs/dbraw/zinc/28/99/21/170289921.db2.gz	FIPXJEAWUYZLFH-UHFFFAOYSA-N	-1	1	248.307	2.778	50	0		BFAAMM
CCOC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000039234717	170292143	/nfs/dbraw/zinc/29/21/43/170292143.db2.gz	SUGDTRDGSCWRGF-UHFFFAOYSA-N	-1	1	235.066	2.876	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccc(C)cc1	ZINC000000314309	172131271	/nfs/dbraw/zinc/13/12/71/172131271.db2.gz	NEUNTOCSKRVRJI-UHFFFAOYSA-N	-1	1	219.313	2.936	50	0		BFAAMM
Cc1cc(Cl)ccc1OCc1cc(=O)[nH][n-]1	ZINC000004386574	178069772	/nfs/dbraw/zinc/06/97/72/178069772.db2.gz	PGGDSDBAWPQICC-UHFFFAOYSA-N	-1	1	238.674	2.656	50	0		BFAAMM
Cc1cc(=O)n(-c2ccc(C)c(C)c2)[n-]1	ZINC000100072421	178200317	/nfs/dbraw/zinc/20/03/17/178200317.db2.gz	NZIOWLDKKHIQHG-UHFFFAOYSA-N	-1	1	202.257	2.503	50	0		BFAAMM
Cc1cc(=O)n(-c2cccc(Cl)c2)[n-]1	ZINC000105850897	178201258	/nfs/dbraw/zinc/20/12/58/178201258.db2.gz	LLCDODWJUNKEFS-UHFFFAOYSA-N	-1	1	208.648	2.540	50	0		BFAAMM
O=c1cc([O-])[nH]c2cc(Cl)cc(Cl)c12	ZINC000000081394	342673561	/nfs/dbraw/zinc/67/35/61/342673561.db2.gz	QQCAUPUXMKFNTH-UHFFFAOYSA-N	-1	1	230.050	2.541	50	0		BFAAMM
O=c1cc(-c2ccccn2)c2ccc([O-])cc2o1	ZINC000000153922	342677321	/nfs/dbraw/zinc/67/73/21/342677321.db2.gz	WJXWVAVFUWNSBN-UHFFFAOYSA-N	-1	1	239.230	2.561	50	0		BFAAMM
CC(C)n1c2ccccc2n2c(=S)[n-]nc21	ZINC000006146400	342774578	/nfs/dbraw/zinc/77/45/78/342774578.db2.gz	SMKYQYCPJWLQHY-UHFFFAOYSA-N	-1	1	232.312	2.927	50	0		BFAAMM
O=C(c1ccccc1[O-])N1CCc2ccccc21	ZINC000006668513	342780702	/nfs/dbraw/zinc/78/07/02/342780702.db2.gz	FQMCOXPVJBPJNI-UHFFFAOYSA-N	-1	1	239.274	2.595	50	0		BFAAMM
Cn1c(Cc2c[nH]c3ccccc23)n[n-]c1=S	ZINC000015923766	342903330	/nfs/dbraw/zinc/90/33/30/342903330.db2.gz	HADGGUBBBRVURY-UHFFFAOYSA-N	-1	1	244.323	2.550	50	0		BFAAMM
CCCc1cc(=O)n(-c2ccccc2)[n-]1	ZINC000018217747	342935403	/nfs/dbraw/zinc/93/54/03/342935403.db2.gz	DXQSVRLYPGKQNS-UHFFFAOYSA-N	-1	1	202.257	2.579	50	0		BFAAMM
Cc1ccc2nc(CCCC(=O)[O-])[nH]c2c1C	ZINC000019737145	342955731	/nfs/dbraw/zinc/95/57/31/342955731.db2.gz	JZEWEUNDKAZCDI-UHFFFAOYSA-N	-1	1	232.283	2.587	50	0		BFAAMM
CCCc1cc(=O)[n-]c(Nc2cccc(C)c2)n1	ZINC000005012131	344900000	/nfs/dbraw/zinc/90/00/00/344900000.db2.gz	MFFYBQLXRASOHU-UHFFFAOYSA-N	-1	1	243.310	2.774	50	0		BFAAMM
Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000003192985	179151906	/nfs/dbraw/zinc/15/19/06/179151906.db2.gz	HZGIAHQDIKAYKS-UHFFFAOYSA-N	-1	1	247.319	2.796	50	0		BFAAMM
Cc1cccc(Nc2nc(C)c(C)c(=O)[n-]2)c1C	ZINC000066324449	179158781	/nfs/dbraw/zinc/15/87/81/179158781.db2.gz	PCUVEMROLUFQBC-UHFFFAOYSA-N	-1	1	243.310	2.747	50	0		BFAAMM
CC(C)CC(=O)c1cc(F)cc(F)c1[O-]	ZINC000052068574	350901914	/nfs/dbraw/zinc/90/19/14/350901914.db2.gz	VGQCVWULPQYBKJ-UHFFFAOYSA-N	-1	1	214.211	2.899	50	0		BFAAMM
Cn1c(=S)[n-]nc1[C@@H]1C[C@H]1c1ccccc1	ZINC000015933419	180624543	/nfs/dbraw/zinc/62/45/43/180624543.db2.gz	DHIIASXOBAVUMS-VHSXEESVSA-N	-1	1	231.324	2.749	50	0		BFAAMM
CCc1c(C)c2c([O-])cc(C)cc2oc1=O	ZINC000011765935	357444823	/nfs/dbraw/zinc/44/48/23/357444823.db2.gz	BLOCSYJJIPXPSA-UHFFFAOYSA-N	-1	1	218.252	2.678	50	0		BFAAMM
CCCc1cc(=O)n(-c2ccc(C)c(C)c2)[n-]1	ZINC000009477229	374138298	/nfs/dbraw/zinc/13/82/98/374138298.db2.gz	VDAMTDUWIQSMCZ-UHFFFAOYSA-N	-1	1	230.311	2.735	50	0		BFAAMM
S=c1nncc(-c2cc3ccccc3o2)[n-]1	ZINC000074941363	183316615	/nfs/dbraw/zinc/31/66/15/183316615.db2.gz	YVASKKIWDSEWRU-UHFFFAOYSA-N	-1	1	229.264	2.574	50	0		BFAAMM
COC(=O)c1cc2oc3ccccc3c2[n-]1	ZINC000006750306	384166561	/nfs/dbraw/zinc/16/65/61/384166561.db2.gz	AOWSNWURKKOALC-UHFFFAOYSA-N	-1	1	215.208	2.701	50	0		BFAAMM
CCn1c(CCc2ccccc2)n[n-]c1=S	ZINC000013115219	172144845	/nfs/dbraw/zinc/14/48/45/172144845.db2.gz	IHABNHSBRZLTSX-UHFFFAOYSA-N	-1	1	233.340	2.746	50	0		BFAAMM
CCn1c(Cc2ccc(OC)cc2)n[n-]c1=S	ZINC000005909234	172145458	/nfs/dbraw/zinc/14/54/58/172145458.db2.gz	CSMPQKIFNWIWBE-UHFFFAOYSA-N	-1	1	249.339	2.560	50	0		BFAAMM
COc1ccc(C=Cc2n[n-]c(=S)[nH]2)cc1	ZINC000017196751	175048911	/nfs/dbraw/zinc/04/89/11/175048911.db2.gz	SWKAJZUQUXPLLN-DAXSKMNVSA-N	-1	1	233.296	2.646	50	0		BFAAMM
Cc1ccc(C=Cc2n[n-]c(=S)[nH]2)o1	ZINC000048520855	641692198	/nfs/dbraw/zinc/69/21/98/641692198.db2.gz	YDNYUEONBNKKRC-PLNGDYQASA-N	-1	1	207.258	2.539	50	0		BFAAMM
Fc1ccc(C=Cc2n[n-]c(=S)[nH]2)cc1	ZINC000012679672	342856142	/nfs/dbraw/zinc/85/61/42/342856142.db2.gz	PFXVFTIGERGZIQ-ZZXKWVIFSA-N	-1	1	221.260	2.777	50	0		BFAAMM
CCc1ccc(C=C2SC(=O)[N-]C2=O)cc1	ZINC000012341772	346893668	/nfs/dbraw/zinc/89/36/68/346893668.db2.gz	DZPOUCQZRNTFFR-JXMROGBWSA-N	-1	1	233.292	2.573	50	0		BFAAMM
O=C([O-])c1ccccc1Nc1ccncc1	ZINC000026479899	343106155	/nfs/dbraw/zinc/10/61/55/343106155.db2.gz	MJHIUTGYCYFAQM-UHFFFAOYSA-N	-1	1	214.224	2.523	50	0		BFAAMM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000007814931	187248906	/nfs/dbraw/zinc/24/89/06/187248906.db2.gz	DRAPBUPJVXGEEG-UHFFFAOYSA-N	-1	1	247.319	2.796	50	0		BFAAMM
CSc1nc(CSC(C)C)cc(=O)[n-]1	ZINC000031773413	343224404	/nfs/dbraw/zinc/22/44/04/343224404.db2.gz	AATFVYPYGSMWJH-UHFFFAOYSA-N	-1	1	230.358	2.546	50	0		BFAAMM
CC(C)(F)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000195556812	187362549	/nfs/dbraw/zinc/36/25/49/187362549.db2.gz	IYNSVUOTZOYOQQ-UHFFFAOYSA-N	-1	1	231.654	2.732	50	0		BFAAMM
CC(C)(C)c1cc(=O)oc2cc([O-])ccc21	ZINC000040165594	188292195	/nfs/dbraw/zinc/29/21/95/188292195.db2.gz	ZVZQYXSNWRGJDS-UHFFFAOYSA-N	-1	1	218.252	2.796	50	0		BFAAMM
S=c1[n-]c(-c2ccccc2)nc2ncccc21	ZINC000075259596	356920967	/nfs/dbraw/zinc/92/09/67/356920967.db2.gz	HRNOHSQRUZKIQR-UHFFFAOYSA-N	-1	1	239.303	2.981	50	0		BFAAMM
CCCCc1c([O-])[nH]c2ccc(OC)cc2c1=O	ZINC000002499440	169018029	/nfs/dbraw/zinc/01/80/29/169018029.db2.gz	ZKCMBGVQTRZPOP-UHFFFAOYSA-N	-1	1	247.294	2.585	50	0		BFAAMM
O=c1cc(-c2cccc3ccccc32)[n-][nH]1	ZINC000000053827	183254952	/nfs/dbraw/zinc/25/49/52/183254952.db2.gz	IJLXVKPGJDODPJ-UHFFFAOYSA-N	-1	1	210.236	2.936	50	0		BFAAMM
[O-]c1cnc2ccccc2c1Br	ZINC000019801017	183305051	/nfs/dbraw/zinc/30/50/51/183305051.db2.gz	BJEMWAKSVKPWBC-UHFFFAOYSA-N	-1	1	224.057	2.703	50	0		BFAAMM
CCCCNC(=O)c1ccc(Cl)cc1[O-]	ZINC000001846512	383939200	/nfs/dbraw/zinc/93/92/00/383939200.db2.gz	ZGJHIFYEQJEUKA-UHFFFAOYSA-N	-1	1	227.691	2.576	50	0	in-man	BFAAMM
CC(C)NC(=O)c1cc2ccccc2cc1[O-]	ZINC000009499958	167085665	/nfs/dbraw/zinc/08/56/65/167085665.db2.gz	SZROYGJENDVJOE-UHFFFAOYSA-N	-1	1	229.279	2.684	50	0		BFAAMM
CCCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1	ZINC000144707007	323238389	/nfs/dbraw/zinc/23/83/89/323238389.db2.gz	VOGWFRQLYBYKAD-UHFFFAOYSA-N	-1	1	233.311	2.543	50	0		BFAAMM
Cc1ccc(C=C2SC(=O)[N-]C2=O)c(C)c1	ZINC000012407059	178356034	/nfs/dbraw/zinc/35/60/34/178356034.db2.gz	KFYPWWDPFGBNDO-UXBLZVDNSA-N	-1	1	233.292	2.627	50	0		BFAAMM
CC(C)c1ccc([N-]c2nnns2)cc1	ZINC000000071577	342672781	/nfs/dbraw/zinc/67/27/81/342672781.db2.gz	HRLFLEWEVCJNSR-UHFFFAOYSA-N	-1	1	220.301	2.800	50	0		BFAAMM
Cc1cc(C)[n-]c(=NOCc2ccccc2)n1	ZINC000000300014	342682572	/nfs/dbraw/zinc/68/25/72/342682572.db2.gz	IZQRXPYELZNDMU-UHFFFAOYSA-N	-1	1	229.283	2.637	50	0		BFAAMM
CC(C=C1SC(=O)[N-]C1=O)=Cc1ccccc1	ZINC000004995887	342756326	/nfs/dbraw/zinc/75/63/26/342756326.db2.gz	XWGJEYLUCQLPAT-BGZVTZOUSA-N	-1	1	245.303	2.957	50	0		BFAAMM
O=C([O-])c1cccc2nc(-c3ccccc3)[nH]c21	ZINC000006740824	342781831	/nfs/dbraw/zinc/78/18/31/342781831.db2.gz	LZGYSXDYTDCYCR-UHFFFAOYSA-N	-1	1	238.246	2.928	50	0		BFAAMM
Cc1cccc(CSc2nc(C)cc(=O)[n-]2)c1	ZINC000000142199	345269301	/nfs/dbraw/zinc/26/93/01/345269301.db2.gz	INKYLPORZQVSCK-UHFFFAOYSA-N	-1	1	246.335	2.679	50	0		BFAAMM
Cc1cncc(/C=C/c2cc([O-])cc(F)c2)n1	ZINC000195314249	347624980	/nfs/dbraw/zinc/62/49/80/347624980.db2.gz	GHZLSSOLUWIZQO-NSCUHMNNSA-N	-1	1	230.242	2.800	50	0		BFAAMM
Cc1cc([O-])ccc1C(=O)c1ccccc1	ZINC000039332502	358222417	/nfs/dbraw/zinc/22/24/17/358222417.db2.gz	XPCXDJJTFCXJIU-UHFFFAOYSA-N	-1	1	212.248	2.932	50	0		BFAAMM
CCCCSc1nc(CCC)cc(=O)[n-]1	ZINC000008772863	359683256	/nfs/dbraw/zinc/68/32/56/359683256.db2.gz	ZQGLOVBUZIZBBB-UHFFFAOYSA-N	-1	1	226.345	2.615	50	0		BFAAMM
O=C([O-])c1cccc2c(-c3cccs3)[nH]nc21	ZINC000031990429	372130142	/nfs/dbraw/zinc/13/01/42/372130142.db2.gz	GHFUBGSHOHQWMD-UHFFFAOYSA-N	-1	1	244.275	2.990	50	0		BFAAMM
O=Cc1ccc([O-])c(OCc2ccccc2)c1	ZINC000073734136	182868889	/nfs/dbraw/zinc/86/88/89/182868889.db2.gz	CWMRCRFALIQFHU-UHFFFAOYSA-N	-1	1	228.247	2.784	50	0		BFAAMM
[O-]c1cc(Br)ccc1-c1cc[nH]n1	ZINC000044672059	183256975	/nfs/dbraw/zinc/25/69/75/183256975.db2.gz	WZIZGAUXNYGZML-UHFFFAOYSA-N	-1	1	239.072	2.545	50	0		BFAAMM
S=c1[n-]nc2sc3ccccc3n12	ZINC000000160118	183314526	/nfs/dbraw/zinc/31/45/26/183314526.db2.gz	QTXZICUYCJDYLP-UHFFFAOYSA-N	-1	1	207.283	2.607	50	0		BFAAMM
Cc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1	ZINC000001593169	383909305	/nfs/dbraw/zinc/90/93/05/383909305.db2.gz	PTARVWLPQZIRCW-UHFFFAOYSA-N	-1	1	248.303	2.533	50	0		BFAAMM
Cc1c([O-])c(Br)ccc1F	ZINC000095929147	384409667	/nfs/dbraw/zinc/40/96/67/384409667.db2.gz	NJJWOIJACWVQSZ-UHFFFAOYSA-N	-1	1	205.026	2.602	50	0		BFAAMM
Cc1ccc(C)c(C=C2SC(=O)[N-]C2=O)c1	ZINC000097990455	384420483	/nfs/dbraw/zinc/42/04/83/384420483.db2.gz	XASFGLPKPVHGOH-UXBLZVDNSA-N	-1	1	233.292	2.627	50	0		BFAAMM
CCOc1cc([O-])c(F)c(C(F)(F)F)c1	ZINC000261493648	385815418	/nfs/dbraw/zinc/81/54/18/385815418.db2.gz	GNJFLBDVCCPYNW-UHFFFAOYSA-N	-1	1	224.153	2.949	50	0		BFAAMM
COC(=O)c1cc2scc(Cl)c2[n-]1	ZINC000072226024	387127056	/nfs/dbraw/zinc/12/70/56/387127056.db2.gz	BEMUCZOBFBMGJZ-UHFFFAOYSA-N	-1	1	215.661	2.669	50	0		BFAAMM
C[N-]C(=S)SCCOc1ccc(C)cc1	ZINC000008830038	173316406	/nfs/dbraw/zinc/31/64/06/173316406.db2.gz	IYIXFHMTQFXKNE-UHFFFAOYSA-N	-1	1	241.381	2.611	50	0		BFAAMM
COc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000006484380	175147881	/nfs/dbraw/zinc/14/78/81/175147881.db2.gz	SZEPRRFZUWYXNA-UHFFFAOYSA-N	-1	1	243.262	2.653	50	0		BFAAMM
Cc1nc(-c2ccc(F)c([O-])c2)n(C(C)C)n1	ZINC000825291969	968639565	/nfs/dbraw/zinc/63/95/65/968639565.db2.gz	DBSCUYVVHHONAC-UHFFFAOYSA-N	-1	1	235.262	2.679	50	0		BFAAMM
CCc1cc(-c2n[n-]c(=S)n2C)cs1	ZINC000008199724	342796924	/nfs/dbraw/zinc/79/69/24/342796924.db2.gz	JNRWERUYDGXLLT-UHFFFAOYSA-N	-1	1	225.342	2.769	50	0		BFAAMM
O=C1[N-]C(=O)C(=CC=Cc2ccccc2)S1	ZINC000012407217	342851719	/nfs/dbraw/zinc/85/17/19/342851719.db2.gz	XABHYXPBBJGVRA-DODKFZKMSA-N	-1	1	231.276	2.567	50	0		BFAAMM
Cc1[n-][nH]c(=O)c1Cc1ccccc1Cl	ZINC000049474061	343599413	/nfs/dbraw/zinc/59/94/13/343599413.db2.gz	NQBOAVPXKDMZMA-UHFFFAOYSA-N	-1	1	222.675	2.668	50	0		BFAAMM
CCCCCCSc1nc(C)cc(=O)[n-]1	ZINC000005129290	344957475	/nfs/dbraw/zinc/95/74/75/344957475.db2.gz	BVHSWWDTJRBRKS-UHFFFAOYSA-N	-1	1	226.345	2.751	50	0		BFAAMM
CCCc1nccn1-c1cc([O-])c(F)c(F)c1	ZINC000065494588	191001871	/nfs/dbraw/zinc/00/18/71/191001871.db2.gz	AGWAILOEEQKJGN-UHFFFAOYSA-N	-1	1	238.237	2.809	50	0		BFAAMM
CCC(=O)c1cc(F)cc(Br)c1[O-]	ZINC000052068527	350901970	/nfs/dbraw/zinc/90/19/70/350901970.db2.gz	HPOQYGSGVWZJRQ-UHFFFAOYSA-N	-1	1	247.063	2.887	50	0		BFAAMM
C[C@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)C	ZINC000095993661	538613345	/nfs/dbraw/zinc/61/33/45/538613345.db2.gz	CDLIMZMAPIOZTM-QMMMGPOBSA-N	-1	1	239.290	2.696	50	0		BFAAMM
NC(=O)c1cc(Cl)cc(-c2ccccc2)c1[O-]	ZINC000071773045	181288978	/nfs/dbraw/zinc/28/89/78/181288978.db2.gz	VBBUWESMWAYRTO-UHFFFAOYSA-N	-1	1	247.681	2.812	50	0		BFAAMM
CCCc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1	ZINC000017879196	369060316	/nfs/dbraw/zinc/06/03/16/369060316.db2.gz	SBYVTGOQJBPAIG-UHFFFAOYSA-N	-1	1	236.702	2.772	50	0		BFAAMM
O=C(Nc1ccc(Cl)cc1[O-])c1ccco1	ZINC000000178360	182353544	/nfs/dbraw/zinc/35/35/44/182353544.db2.gz	JRFMXCHVUBTYFT-UHFFFAOYSA-N	-1	1	237.642	2.891	50	0		BFAAMM
CCCCc1c([O-])[nH]c2ccccc2c1=O	ZINC000008772688	169018486	/nfs/dbraw/zinc/01/84/86/169018486.db2.gz	ICDTXYOXZYXZKA-UHFFFAOYSA-N	-1	1	217.268	2.576	50	0	biogenic	BFAAMM
CCCCc1c([O-])c2ccccc2[nH]c1=O	ZINC000008772688	169018488	/nfs/dbraw/zinc/01/84/88/169018488.db2.gz	ICDTXYOXZYXZKA-UHFFFAOYSA-N	-1	1	217.268	2.576	50	0	biogenic	BFAAMM
S=c1[n-]nc(Cc2cccs2)n1C1CC1	ZINC000004206588	183314877	/nfs/dbraw/zinc/31/48/77/183314877.db2.gz	YFLJIWADRKDDKS-UHFFFAOYSA-N	-1	1	237.353	2.928	50	0		BFAAMM
CCCC([O-])(C(F)(F)F)C(F)(F)F	ZINC000096179489	384440692	/nfs/dbraw/zinc/44/06/92/384440692.db2.gz	MMNYCAKHZCJYDH-UHFFFAOYSA-N	-1	1	210.117	2.642	50	0		BFAAMM
CCc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000100164362	384621510	/nfs/dbraw/zinc/62/15/10/384621510.db2.gz	NCMYMNGYNLXKLM-UHFFFAOYSA-N	-1	1	216.284	2.757	50	0		BFAAMM
CC1(C)Cc2[nH]nc(-c3cccnc3)c2C(=O)C1	ZINC000004075052	388390637	/nfs/dbraw/zinc/39/06/37/388390637.db2.gz	NNWACTABQWBOBT-UHFFFAOYSA-N	-1	1	241.294	2.627	50	0		BFAAMM
CCc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000103316149	410888095	/nfs/dbraw/zinc/88/80/95/410888095.db2.gz	CSWKRPDFXPKSRN-GFCCVEGCSA-N	-1	1	216.284	2.744	50	0		BFAAMM
Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[n-]1	ZINC000100213950	168134366	/nfs/dbraw/zinc/13/43/66/168134366.db2.gz	FLRFRVFQDVMRPE-UHFFFAOYSA-N	-1	1	242.200	2.818	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccc(N(C)C)cc1	ZINC000006419133	172130409	/nfs/dbraw/zinc/13/04/09/172130409.db2.gz	VYKNSOMKGROGHF-UHFFFAOYSA-N	-1	1	248.355	2.694	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1csc(C)c1	ZINC000005686872	172130929	/nfs/dbraw/zinc/13/09/29/172130929.db2.gz	YPRAIHQGMMEDAG-UHFFFAOYSA-N	-1	1	225.342	2.998	50	0		BFAAMM
COc1cccc(C(=O)c2ccc([O-])cc2)c1	ZINC000000185729	175247142	/nfs/dbraw/zinc/24/71/42/175247142.db2.gz	USYZLABLTLYZKW-UHFFFAOYSA-N	-1	1	228.247	2.632	50	0		BFAAMM
COc1ccccc1C(=O)c1ccc([O-])cc1	ZINC000041249657	175320013	/nfs/dbraw/zinc/32/00/13/175320013.db2.gz	BKGKCRVOQOWLQA-UHFFFAOYSA-N	-1	1	228.247	2.632	50	0		BFAAMM
O=C(c1ccc([O-])cc1)c1ccc(F)cc1	ZINC000000154654	342677636	/nfs/dbraw/zinc/67/76/36/342677636.db2.gz	HLRVUOFDBXRZBI-UHFFFAOYSA-N	-1	1	216.211	2.762	50	0	biogenic	BFAAMM
CCCc1cc([O-])c2c(C)cc(=O)oc2c1	ZINC000005686270	342768554	/nfs/dbraw/zinc/76/85/54/342768554.db2.gz	UDMRRUFQIPTYHI-UHFFFAOYSA-N	-1	1	218.252	2.760	50	0	biogenic	BFAAMM
Cn1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2	ZINC000005748884	342769499	/nfs/dbraw/zinc/76/94/99/342769499.db2.gz	ANNIHKXRSJJMHU-UHFFFAOYSA-N	-1	1	249.383	2.945	50	0		BFAAMM
O=c1cc([O-])n(-c2ccccc2)c2ccccc12	ZINC000002707796	342791854	/nfs/dbraw/zinc/79/18/54/342791854.db2.gz	AZRSJQZWFYUFBJ-UHFFFAOYSA-N	-1	1	237.258	2.696	50	0		BFAAMM
CC(C)c1cc(=O)[n-]c(Nc2ccccc2)n1	ZINC000009939311	342829924	/nfs/dbraw/zinc/82/99/24/342829924.db2.gz	SYLUYQYVCQTRDD-UHFFFAOYSA-N	-1	1	229.283	2.637	50	0		BFAAMM
[O-]c1coc2cc(Cl)cc(Cl)c12	ZINC000036813836	343324782	/nfs/dbraw/zinc/32/47/82/343324782.db2.gz	VUYJDXGTXGRKAC-UHFFFAOYSA-N	-1	1	203.024	2.569	50	0		BFAAMM
CCSc1nc(C)c(CC(C)C)c(=O)[n-]1	ZINC000016552448	346503195	/nfs/dbraw/zinc/50/31/95/346503195.db2.gz	OQGPCNSDOOEUAZ-UHFFFAOYSA-N	-1	1	226.345	2.801	50	0		BFAAMM
CCN(CC)C(=O)c1cc(Cl)ccc1[O-]	ZINC000019837018	347359815	/nfs/dbraw/zinc/35/98/15/347359815.db2.gz	UXYVAZTWLJBBRL-UHFFFAOYSA-N	-1	1	227.691	2.528	50	0		BFAAMM
CC(C)CNC(=O)c1cc2ccccc2cc1[O-]	ZINC000012947415	356792692	/nfs/dbraw/zinc/79/26/92/356792692.db2.gz	BPEMBFWAYMFXLZ-UHFFFAOYSA-N	-1	1	243.306	2.931	50	0		BFAAMM
CCSc1nc(-c2ccccc2)cc(=O)[n-]1	ZINC000018127932	369436735	/nfs/dbraw/zinc/43/67/35/369436735.db2.gz	JUSHOYXQHVQBDG-UHFFFAOYSA-N	-1	1	232.308	2.549	50	0		BFAAMM
O=C([N-]C12CC3CC(CC(C3)C1)C2)C(F)(F)F	ZINC000000245746	182092153	/nfs/dbraw/zinc/09/21/53/182092153.db2.gz	CMKIOJNRXWXMCG-UHFFFAOYSA-N	-1	1	247.260	2.634	50	0		BFAAMM
O=C(Nc1ccc(Cl)cn1)c1ccccc1[O-]	ZINC000006668522	182353921	/nfs/dbraw/zinc/35/39/21/182353921.db2.gz	HMFLQLMKAVSXEV-UHFFFAOYSA-N	-1	1	248.669	2.693	50	0		BFAAMM
O=c1c2c([n-]n1Cc1ccccc1)CCCC2	ZINC000102035117	183255203	/nfs/dbraw/zinc/25/52/03/183255203.db2.gz	GNZODPRJRHKOGK-UHFFFAOYSA-N	-1	1	228.295	2.516	50	0		BFAAMM
[O-]c1cc(F)c(OC(F)(F)F)c(F)c1	ZINC000091297559	183258131	/nfs/dbraw/zinc/25/81/31/183258131.db2.gz	AMZMLROLIVUFOM-UHFFFAOYSA-N	-1	1	214.089	2.569	50	0		BFAAMM
[O-]c1cccc(Cl)c1Br	ZINC000002524480	183292549	/nfs/dbraw/zinc/29/25/49/183292549.db2.gz	SJFAAIBDKRBLMN-UHFFFAOYSA-N	-1	1	207.454	2.808	50	0		BFAAMM
S=c1nc2[nH]c3cc(Cl)ccc3c2n[n-]1	ZINC000015220369	183314255	/nfs/dbraw/zinc/31/42/55/183314255.db2.gz	DSTKHZIZURCMKF-UHFFFAOYSA-N	-1	1	236.687	2.822	50	0		BFAAMM
S=c1[n-]nc(C=Cc2ccccc2)[nH]1	ZINC000008981640	183315361	/nfs/dbraw/zinc/31/53/61/183315361.db2.gz	ALHGVKAIXXQXJE-VOTSOKGWSA-N	-1	1	203.270	2.638	50	0		BFAAMM
O=[P@]([O-])(O)Cc1cccc2ccccc21	ZINC000001719111	383931831	/nfs/dbraw/zinc/93/18/31/383931831.db2.gz	LYGCMUNBGIOQAB-UHFFFAOYSA-N	-1	1	222.180	2.518	50	0		BFAAMM
O=Cc1cc(Cc2ccccc2)cc(C=O)c1[O-]	ZINC000000291348	384010273	/nfs/dbraw/zinc/01/02/73/384010273.db2.gz	SSGCDTFBOKKEAY-UHFFFAOYSA-N	-1	1	240.258	2.608	50	0		BFAAMM
CCCCNC(=O)c1cc(Cl)ccc1[O-]	ZINC000012987432	385154991	/nfs/dbraw/zinc/15/49/91/385154991.db2.gz	ZFUWKRVLVBZJIH-UHFFFAOYSA-N	-1	1	227.691	2.576	50	0		BFAAMM
Cc1cc(=O)n(-c2ccc(C)c(Cl)c2)[n-]1	ZINC000000381059	168134232	/nfs/dbraw/zinc/13/42/32/168134232.db2.gz	UKTMRPNPEMPQMC-UHFFFAOYSA-N	-1	1	222.675	2.761	50	0		BFAAMM
CCn1c(Cc2cccs2)n[n-]c1=S	ZINC000006125695	172144629	/nfs/dbraw/zinc/14/46/29/172144629.db2.gz	YENZXJALVSDLPE-UHFFFAOYSA-N	-1	1	225.342	2.613	50	0		BFAAMM
C[N-]C(=S)SCCOc1cccc(C)c1	ZINC000002309478	173317032	/nfs/dbraw/zinc/31/70/32/173317032.db2.gz	YCQQTBFVLYWQKP-UHFFFAOYSA-N	-1	1	241.381	2.611	50	0		BFAAMM
S=c1[n-]nc(C=Cc2cccs2)[nH]1	ZINC000048520753	631861362	/nfs/dbraw/zinc/86/13/62/631861362.db2.gz	ZSJRVSLDYPQLLA-ARJAWSKDSA-N	-1	1	209.299	2.699	50	0		BFAAMM
Cc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1	ZINC000100072424	178200900	/nfs/dbraw/zinc/20/09/00/178200900.db2.gz	OXVRRVVTDOIBSI-UHFFFAOYSA-N	-1	1	208.648	2.540	50	0		BFAAMM
CCc1ccsc1C(=O)Nc1ccncc1[O-]	ZINC000170593640	361765584	/nfs/dbraw/zinc/76/55/84/361765584.db2.gz	AXEQUEGMGNEOMG-UHFFFAOYSA-N	-1	1	248.307	2.663	50	0		BFAAMM
Cc1c([O-])[nH]c2c(Cl)cc(Cl)cc2c1=O	ZINC000000087803	342673872	/nfs/dbraw/zinc/67/38/72/342673872.db2.gz	KQWYOPBUHWVXJP-UHFFFAOYSA-N	-1	1	244.077	2.849	50	0		BFAAMM
Cc1ccc([O-])c(C(=O)c2ccccc2)c1	ZINC000000136134	342676629	/nfs/dbraw/zinc/67/66/29/342676629.db2.gz	OQERFUGURPLBQH-UHFFFAOYSA-N	-1	1	212.248	2.932	50	0		BFAAMM
O=c1cc(-c2ccncc2)c2ccc([O-])cc2o1	ZINC000000153915	342677337	/nfs/dbraw/zinc/67/73/37/342677337.db2.gz	PTBKPYBPJZBSMP-UHFFFAOYSA-N	-1	1	239.230	2.561	50	0		BFAAMM
CCOc1cccc(-c2n[n-]c(=S)n2C)c1	ZINC000002492260	342721325	/nfs/dbraw/zinc/72/13/25/342721325.db2.gz	CAURZSQEPDAZTD-UHFFFAOYSA-N	-1	1	235.312	2.543	50	0		BFAAMM
O=C(c1cc2ccccc2cc1[O-])N1CCCC1	ZINC000004761614	342751794	/nfs/dbraw/zinc/75/17/94/342751794.db2.gz	MVVCPEOQKNHPJR-UHFFFAOYSA-N	-1	1	241.290	2.781	50	0		BFAAMM
CCc1ccc(C=C2SC(=O)[N-]C2=O)cc1	ZINC000012341773	343047898	/nfs/dbraw/zinc/04/78/98/343047898.db2.gz	DZPOUCQZRNTFFR-YFHOEESVSA-N	-1	1	233.292	2.573	50	0		BFAAMM
CCC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000052068532	350901840	/nfs/dbraw/zinc/90/18/40/350901840.db2.gz	HCELNKJJPMBWFG-UHFFFAOYSA-N	-1	1	202.612	2.777	50	0		BFAAMM
Nc1cc(Cl)c(Cl)c(Cl)c1[O-]	ZINC000038892891	363207262	/nfs/dbraw/zinc/20/72/62/363207262.db2.gz	FADPKOKICNFAMH-UHFFFAOYSA-N	-1	1	212.463	2.935	50	0		BFAAMM
O=C1[N-]C(=O)C(=CC=Cc2ccccc2)S1	ZINC000012433056	188522979	/nfs/dbraw/zinc/52/29/79/188522979.db2.gz	XABHYXPBBJGVRA-NIQHGUSQSA-N	-1	1	231.276	2.567	50	0		BFAAMM
O=C(Cc1ccc(O)cc1)c1ccc([O-])cc1	ZINC000039297153	182038440	/nfs/dbraw/zinc/03/84/40/182038440.db2.gz	HZPYKPXLYFNHFD-UHFFFAOYSA-N	-1	1	228.247	2.523	50	0		BFAAMM
CCCCc1c([O-])c2ccccc2n(C)c1=O	ZINC000100165135	169018176	/nfs/dbraw/zinc/01/81/76/169018176.db2.gz	UGSGKYKRLRQHBS-UHFFFAOYSA-N	-1	1	231.295	2.587	50	0		BFAAMM
CCCNC(=O)c1cc2ccccc2cc1[O-]	ZINC000009499935	169250364	/nfs/dbraw/zinc/25/03/64/169250364.db2.gz	GREVWZKWZIXWMX-UHFFFAOYSA-N	-1	1	229.279	2.685	50	0		BFAAMM
Cc1n[nH]cc1[N-]c1nc(C(C)(C)C)ns1	ZINC000158838423	384515143	/nfs/dbraw/zinc/51/51/43/384515143.db2.gz	XIKHBFAXOIMYFM-UHFFFAOYSA-N	-1	1	237.332	2.611	50	0		BFAAMM
Cc1n[n-]c(=S)n1CCc1cccs1	ZINC000020590624	384624159	/nfs/dbraw/zinc/62/41/59/384624159.db2.gz	UBMNZCVWJASSKA-UHFFFAOYSA-N	-1	1	225.342	2.553	50	0		BFAAMM
Cc1c([O-])ccc2c(C(F)(F)F)cc(=O)oc12	ZINC000000451432	384690080	/nfs/dbraw/zinc/69/00/80/384690080.db2.gz	LMPLCARGCBBRAW-UHFFFAOYSA-N	-1	1	244.168	2.826	50	0		BFAAMM
CC[Si](CC)(CC)CC[P@H](=O)[O-]	ZINC000217534299	385886238	/nfs/dbraw/zinc/88/62/38/385886238.db2.gz	IRPJNEIWLQPAJQ-UHFFFAOYSA-N	-1	1	208.314	2.962	50	0		BFAAMM
CCCn1c2ccccc2n2c(=S)[n-]nc12	ZINC000057326658	385931297	/nfs/dbraw/zinc/93/12/97/385931297.db2.gz	MYSMILIWXXJXSQ-UHFFFAOYSA-N	-1	1	232.312	2.757	50	0		BFAAMM
CCN(CC)C(=O)c1ccc([O-])cc1Cl	ZINC000238233564	386457063	/nfs/dbraw/zinc/45/70/63/386457063.db2.gz	BHQWOIIZBXXDKV-UHFFFAOYSA-N	-1	1	227.691	2.528	50	0		BFAAMM
CC(C)OC(=O)[N-]C(=O)c1ccc(Cl)cc1	ZINC000000108042	167164641	/nfs/dbraw/zinc/16/46/41/167164641.db2.gz	WKNOXQAMZZEBFY-UHFFFAOYSA-N	-1	1	241.674	2.615	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccccc1OC	ZINC000001300047	172130422	/nfs/dbraw/zinc/13/04/22/172130422.db2.gz	KYWIYTQTBIVIRN-UHFFFAOYSA-N	-1	1	235.312	2.636	50	0		BFAAMM
CN(C(=O)c1ccccc1[O-])c1ccccc1	ZINC000000335137	172343484	/nfs/dbraw/zinc/34/34/84/172343484.db2.gz	ACVBVXMHXWWRJS-UHFFFAOYSA-N	-1	1	227.263	2.669	50	0		BFAAMM
COc1ccc2ccc([O-])c(N=O)c2c1	ZINC000019336530	175225753	/nfs/dbraw/zinc/22/57/53/175225753.db2.gz	UVNKSTJWSMMDEZ-UHFFFAOYSA-N	-1	1	203.197	2.952	50	0		BFAAMM
Cc1ccc(C=Cc2n[n-]c(=S)[nH]2)cc1	ZINC000102847096	591174491	/nfs/dbraw/zinc/17/44/91/591174491.db2.gz	RXGZUZMDXOMBEX-SREVYHEPSA-N	-1	1	217.297	2.946	50	0		BFAAMM
Cc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1	ZINC000018085427	178337918	/nfs/dbraw/zinc/33/79/18/178337918.db2.gz	WMMVFPDZGPLXSU-UHFFFAOYSA-N	-1	1	242.303	2.960	50	0		BFAAMM
CCOc1ccc(-c2n[n-]c(=S)n2C)cc1	ZINC000002481658	342721219	/nfs/dbraw/zinc/72/12/19/342721219.db2.gz	LZFBQLLJKSXZST-UHFFFAOYSA-N	-1	1	235.312	2.543	50	0		BFAAMM
Cn1c(=S)[n-]nc1-c1c[nH]c2ccccc12	ZINC000006083208	342773387	/nfs/dbraw/zinc/77/33/87/342773387.db2.gz	FYKQPEUHIODMES-UHFFFAOYSA-N	-1	1	230.296	2.626	50	0		BFAAMM
C[C@@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)C	ZINC000095993662	346090654	/nfs/dbraw/zinc/09/06/54/346090654.db2.gz	CDLIMZMAPIOZTM-MRVPVSSYSA-N	-1	1	239.290	2.696	50	0		BFAAMM
CCCc1c(C)c2ccc([O-])cc2oc1=O	ZINC000000308176	346411397	/nfs/dbraw/zinc/41/13/97/346411397.db2.gz	HKJUWQFMRNKNAF-UHFFFAOYSA-N	-1	1	218.252	2.760	50	0	biogenic	BFAAMM
[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F	ZINC000000157910	188099124	/nfs/dbraw/zinc/09/91/24/188099124.db2.gz	IZPIZCAYJQCTNG-UHFFFAOYSA-N	-1	1	244.134	2.999	50	0		BFAAMM
O=C1[N-]C(=O)C(=Cc2cc3ccccc3o2)S1	ZINC000004110180	188101916	/nfs/dbraw/zinc/10/19/16/188101916.db2.gz	JMRQNSULIHRDLN-POHAHGRESA-N	-1	1	245.259	2.757	50	0		BFAAMM
CCCCc1c(C)nc(SCCC)[n-]c1=O	ZINC000018190934	188172333	/nfs/dbraw/zinc/17/23/33/188172333.db2.gz	DUJNKTVNGKPTTB-UHFFFAOYSA-N	-1	1	240.372	2.923	50	0		BFAAMM
CC(C=C1SC(=O)[N-]C1=O)=Cc1ccccc1	ZINC000001469833	188222957	/nfs/dbraw/zinc/22/29/57/188222957.db2.gz	XWGJEYLUCQLPAT-BYSFRFKNSA-N	-1	1	245.303	2.957	50	0		BFAAMM
CCCCCc1c([O-])c2ccccc2[nH]c1=O	ZINC000008586204	372782770	/nfs/dbraw/zinc/78/27/70/372782770.db2.gz	MENXPFSNCCRVOS-UHFFFAOYSA-N	-1	1	231.295	2.966	50	0		BFAAMM
O=C(NC1CCCC1)c1ccc([O-])cc1Cl	ZINC000261493429	182111015	/nfs/dbraw/zinc/11/10/15/182111015.db2.gz	AVQAKZVZRFEHEL-UHFFFAOYSA-N	-1	1	239.702	2.718	50	0		BFAAMM
CCCCc1cc(=O)oc2cc([O-])ccc12	ZINC000002976466	169017777	/nfs/dbraw/zinc/01/77/77/169017777.db2.gz	BPCUVPFNRWFFIJ-UHFFFAOYSA-N	-1	1	218.252	2.841	50	0		BFAAMM
CCCCc1cc(=O)oc2cc(O)cc([O-])c12	ZINC000006359915	169018596	/nfs/dbraw/zinc/01/85/96/169018596.db2.gz	MLSSEIYJTVDKTK-UHFFFAOYSA-N	-1	1	234.251	2.547	50	0	biogenic	BFAAMM
[O-]c1c(Br)ccc2cccnc12	ZINC000013208442	183253204	/nfs/dbraw/zinc/25/32/04/183253204.db2.gz	ICKPMTNGWVNOGC-UHFFFAOYSA-N	-1	1	224.057	2.703	50	0		BFAAMM
[O-]c1ccc(Cl)cc1Br	ZINC000000404310	183273964	/nfs/dbraw/zinc/27/39/64/183273964.db2.gz	ZIYRDJLAJYTELF-UHFFFAOYSA-N	-1	1	207.454	2.808	50	0	in-vitro	BFAAMM
O=c1cc(C(F)(F)F)nc(-c2cccs2)[n-]1	ZINC000017967732	183257134	/nfs/dbraw/zinc/25/71/34/183257134.db2.gz	KUNMEZHIGMXGCW-UHFFFAOYSA-N	-1	1	246.213	2.930	50	0		BFAAMM
FC(F)(F)c1nnc([N-]c2cccnc2)s1	ZINC000000074321	384272667	/nfs/dbraw/zinc/27/26/67/384272667.db2.gz	WAGZQPCHYZFSMP-UHFFFAOYSA-N	-1	1	246.217	2.696	50	0		BFAAMM
CC(=O)c1cc2c(C)c(C)c(=O)oc2c(C)c1[O-]	ZINC000012902149	384341515	/nfs/dbraw/zinc/34/15/15/384341515.db2.gz	HEHXCMGRMMXWKZ-UHFFFAOYSA-N	-1	1	246.262	2.626	50	0	biogenic	BFAAMM
Cc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[n-]1	ZINC000100781893	384654571	/nfs/dbraw/zinc/65/45/71/384654571.db2.gz	VCVFXBNCQAJJCV-UHFFFAOYSA-N	-1	1	243.093	2.781	50	0		BFAAMM
CCCc1cc(=O)n(-c2ccccc2C)[n-]1	ZINC000100070253	387470899	/nfs/dbraw/zinc/47/08/99/387470899.db2.gz	CGYWKOGIWZPMPL-UHFFFAOYSA-N	-1	1	216.284	2.839	50	0		BFAAMM
CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000101480337	387471517	/nfs/dbraw/zinc/47/15/17/387471517.db2.gz	XOWULSXUQDMELV-UHFFFAOYSA-N	-1	1	220.247	2.588	50	0		BFAAMM
CCOC(=O)c1cc2ccsc2c([O-])c1	ZINC000090470638	170293103	/nfs/dbraw/zinc/29/31/03/170293103.db2.gz	VYOHBZNTQBTZPN-UHFFFAOYSA-N	-1	1	222.265	2.784	50	0		BFAAMM
CCn1c(-c2ccccc2F)n[n-]c1=S	ZINC000004723716	172130313	/nfs/dbraw/zinc/13/03/13/172130313.db2.gz	CVZSKGRWKHCTNP-UHFFFAOYSA-N	-1	1	223.276	2.767	50	0		BFAAMM
COc1ccc(C(=O)c2ccc([O-])cc2)cc1	ZINC000000396292	175066191	/nfs/dbraw/zinc/06/61/91/175066191.db2.gz	LGJXZWFPIDESNQ-UHFFFAOYSA-N	-1	1	228.247	2.632	50	0		BFAAMM
O=C([O-])c1ccc(-c2ccc3[nH]cnc3c2)s1	ZINC000067673222	710986910	/nfs/dbraw/zinc/98/69/10/710986910.db2.gz	CBMVFCFWNIFDRS-UHFFFAOYSA-N	-1	1	244.275	2.990	50	0		BFAAMM
NN=c1ccc2c(Cl)cc(Cl)c([O-])c2[nH]1	ZINC000000266378	342681727	/nfs/dbraw/zinc/68/17/27/342681727.db2.gz	GEMKVFRCPIKGPF-UHFFFAOYSA-N	-1	1	244.081	2.533	50	0		BFAAMM
Cn1c(=S)[n-]nc1[C@H]1C[C@@H]1c1ccccc1	ZINC000002536726	342723330	/nfs/dbraw/zinc/72/33/30/342723330.db2.gz	DHIIASXOBAVUMS-ZJUUUORDSA-N	-1	1	231.324	2.749	50	0		BFAAMM
Cn1c(CCC2CCCCC2)n[n-]c1=S	ZINC000006056869	342773381	/nfs/dbraw/zinc/77/33/81/342773381.db2.gz	ZMFPKCOJBOPVAJ-UHFFFAOYSA-N	-1	1	225.361	2.991	50	0		BFAAMM
C=C(c1cccc2ccccc21)[P@@](=O)([O-])O	ZINC000002323775	398284510	/nfs/dbraw/zinc/28/45/10/398284510.db2.gz	ZDNBHAWXBDXUSP-UHFFFAOYSA-N	-1	1	234.191	2.988	50	0		BFAAMM
Cc1c(Cl)ccc2c(=O)c(C(=O)[O-])c[nH]c12	ZINC000009332101	342813166	/nfs/dbraw/zinc/81/31/66/342813166.db2.gz	KIGXAPARJYAEQL-UHFFFAOYSA-N	-1	1	237.642	2.600	50	0		BFAAMM
O=c1nc(-c2ccccc2)[n-]c2ccsc21	ZINC000013398815	342866652	/nfs/dbraw/zinc/86/66/52/342866652.db2.gz	IQFQFNJSTCCSSP-UHFFFAOYSA-N	-1	1	228.276	2.652	50	0		BFAAMM
CCc1cc(=O)oc2c(C)c([O-])c(C(C)=O)cc12	ZINC000012899283	342860606	/nfs/dbraw/zinc/86/06/06/342860606.db2.gz	IZBIJJZGQXKOTC-UHFFFAOYSA-N	-1	1	246.262	2.572	50	0	biogenic	BFAAMM
[O-]c1ccc(-c2cc[nH]n2)cc1Br	ZINC000238729863	345120145	/nfs/dbraw/zinc/12/01/45/345120145.db2.gz	GIDHDEUPBDWOJN-UHFFFAOYSA-N	-1	1	239.072	2.545	50	0		BFAAMM
O=c1[n-]c(=S)c2c(n1C1CCCC1)CCC2	ZINC000008737548	346686708	/nfs/dbraw/zinc/68/67/08/346686708.db2.gz	YPXBARIQGLGNNT-UHFFFAOYSA-N	-1	1	236.340	2.510	50	0		BFAAMM
Cc1nc(SCc2ccccc2)[n-]c(=O)c1C	ZINC000005155234	180031383	/nfs/dbraw/zinc/03/13/83/180031383.db2.gz	VAKYIGGBKLFYJY-UHFFFAOYSA-N	-1	1	246.335	2.679	50	0		BFAAMM
O=c1oc2cc([O-])ccc2c2c1CCCCC2	ZINC000000465342	188099288	/nfs/dbraw/zinc/09/92/88/188099288.db2.gz	XWZHCDCMXBLZFJ-UHFFFAOYSA-N	-1	1	230.263	2.768	50	0	biogenic	BFAAMM
O=C(Nc1ccc(F)cc1)c1ccccc1[O-]	ZINC000006567818	182356314	/nfs/dbraw/zinc/35/63/14/182356314.db2.gz	JRFWTJJEUHYSHV-UHFFFAOYSA-N	-1	1	231.226	2.784	50	0		BFAAMM
CCCCOc1cc(F)c([O-])c(F)c1	ZINC000091251973	168915396	/nfs/dbraw/zinc/91/53/96/168915396.db2.gz	NZXOEPFBEOGOTJ-UHFFFAOYSA-N	-1	1	202.200	2.849	50	0		BFAAMM
[O-]c1ccc(Br)cc1-c1ccno1	ZINC000000403148	183266837	/nfs/dbraw/zinc/26/68/37/183266837.db2.gz	CZXKAQGBZPKRHU-UHFFFAOYSA-N	-1	1	240.056	2.810	50	0		BFAAMM
CC1CCN(c2n[n-]c(=S)n2C2CC2)CC1	ZINC000012505178	384322827	/nfs/dbraw/zinc/32/28/27/384322827.db2.gz	GJRSBHMBPMQTFZ-UHFFFAOYSA-N	-1	1	238.360	2.512	50	0		BFAAMM
CCc1cccc2c3n[n-]c(=S)nc3[nH]c21	ZINC000084020732	384356024	/nfs/dbraw/zinc/35/60/24/384356024.db2.gz	JVJDPUKVAUFHGD-UHFFFAOYSA-N	-1	1	230.296	2.731	50	0		BFAAMM
CCCCCc1cc([O-])cc(O)c1C=O	ZINC000136878573	384512781	/nfs/dbraw/zinc/51/27/81/384512781.db2.gz	FFMCYBHCUWCBLJ-UHFFFAOYSA-N	-1	1	208.257	2.643	50	0		BFAAMM
CC(C=C1SC(=O)[N-]C1=O)=Cc1ccccc1	ZINC000001469835	386386744	/nfs/dbraw/zinc/38/67/44/386386744.db2.gz	XWGJEYLUCQLPAT-JLUCNAMBSA-N	-1	1	245.303	2.957	50	0		BFAAMM
CN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1	ZINC000011890249	386711679	/nfs/dbraw/zinc/71/16/79/386711679.db2.gz	ZRNYKCIHBPTVOT-UHFFFAOYSA-N	-1	1	245.278	2.610	50	0		BFAAMM
CC(C)Cn1[n-]c(-c2ccccc2)cc1=N	ZINC000102793918	387475045	/nfs/dbraw/zinc/47/50/45/387475045.db2.gz	NRASWMUMXAOYER-UHFFFAOYSA-N	-1	1	215.300	2.619	50	0		BFAAMM
C[C@@H]1C[C@H]1c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000009869954	388273363	/nfs/dbraw/zinc/27/33/63/388273363.db2.gz	FSWLCORFLUTWKN-OHGZJSFGSA-N	-1	1	249.291	2.727	50	0		BFAAMM
C[C@@H]1C[C@@H]1c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000009869940	388273830	/nfs/dbraw/zinc/27/38/30/388273830.db2.gz	FSWLCORFLUTWKN-ORRWNSOMSA-N	-1	1	249.291	2.727	50	0		BFAAMM
Cc1cc(C)c2c(n1)sc1c2[nH]c([O-])cc1=O	ZINC000008586250	388406104	/nfs/dbraw/zinc/40/61/04/388406104.db2.gz	XAGRKPWOKCOLSZ-UHFFFAOYSA-N	-1	1	246.291	2.873	50	0		BFAAMM
Cc1ccc(C(=O)Nc2c([O-])cccc2F)o1	ZINC000095962397	388795669	/nfs/dbraw/zinc/79/56/69/388795669.db2.gz	MGHRVCBNQNRDFW-UHFFFAOYSA-N	-1	1	235.214	2.685	50	0		BFAAMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)[nH]1	ZINC000000976678	177699510	/nfs/dbraw/zinc/69/95/10/177699510.db2.gz	YNRINJTUILGZIP-XBXARRHUSA-N	-1	1	238.337	2.961	50	0		BFAAMM
Cc1ccc(C)c(C=C2SC(=O)[N-]C2=O)c1	ZINC000007154771	397929994	/nfs/dbraw/zinc/92/99/94/397929994.db2.gz	XASFGLPKPVHGOH-POHAHGRESA-N	-1	1	233.292	2.627	50	0		BFAAMM
C[C@@H]1C[C@H]1c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000253419596	525502979	/nfs/dbraw/zinc/50/29/79/525502979.db2.gz	FSWLCORFLUTWKN-VACIDYQJSA-N	-1	1	249.291	2.727	50	0		BFAAMM
Cc1ccccc1C=Cc1n[n-]c(=S)[nH]1	ZINC000083295969	644404251	/nfs/dbraw/zinc/40/42/51/644404251.db2.gz	XTADNOLSCBYCTP-SREVYHEPSA-N	-1	1	217.297	2.946	50	0		BFAAMM
Cc1c2ccc([O-])cc2oc(=O)c1C(C)C	ZINC000000489460	342688918	/nfs/dbraw/zinc/68/89/18/342688918.db2.gz	IZOCZZMTQMWKLQ-UHFFFAOYSA-N	-1	1	218.252	2.930	50	0	biogenic	BFAAMM
CCCc1cc(=O)oc2cc(C)cc([O-])c12	ZINC000006493366	342778545	/nfs/dbraw/zinc/77/85/45/342778545.db2.gz	WMSVQPRIONJUIS-UHFFFAOYSA-N	-1	1	218.252	2.760	50	0		BFAAMM
O=C([O-])c1cccc2nc(-c3cccs3)[nH]c21	ZINC000006740849	342781918	/nfs/dbraw/zinc/78/19/18/342781918.db2.gz	OQFMKFSAZCQYAK-UHFFFAOYSA-N	-1	1	244.275	2.990	50	0		BFAAMM
CCCc1c(C)nc(Nc2ccccc2)[n-]c1=O	ZINC000009264676	342811491	/nfs/dbraw/zinc/81/14/91/342811491.db2.gz	IWZFXZHIPHLRAD-UHFFFAOYSA-N	-1	1	243.310	2.774	50	0		BFAAMM
O=C([O-])c1ccc(Nc2ccncc2)cc1	ZINC000037453528	343345485	/nfs/dbraw/zinc/34/54/85/343345485.db2.gz	OEWZQATXQINCCC-UHFFFAOYSA-N	-1	1	214.224	2.523	50	0		BFAAMM
CC(C)n1[n-]c(-c2ccccc2)cc1=N	ZINC000101901159	537979372	/nfs/dbraw/zinc/97/93/72/537979372.db2.gz	YUYZLKVQFWNIRL-UHFFFAOYSA-N	-1	1	201.273	2.544	50	0		BFAAMM
Cc1cccc(O[C@@H](C)c2n[n-]c(=S)n2C)c1	ZINC000002522215	179174680	/nfs/dbraw/zinc/17/46/80/179174680.db2.gz	NLTQFKRQWMFDAF-VIFPVBQESA-N	-1	1	249.339	2.926	50	0		BFAAMM
Cc1cccc(C)c1C(=O)Nc1ccncc1[O-]	ZINC000195557069	347641194	/nfs/dbraw/zinc/64/11/94/347641194.db2.gz	SSFZLPBFMRRFOW-UHFFFAOYSA-N	-1	1	242.278	2.656	50	0		BFAAMM
CCC(=O)c1cc(Br)cc(F)c1[O-]	ZINC000052068476	350901875	/nfs/dbraw/zinc/90/18/75/350901875.db2.gz	XSUDZPZKGXGDJV-UHFFFAOYSA-N	-1	1	247.063	2.887	50	0		BFAAMM
CCCC(=O)c1cc(F)cc(F)c1[O-]	ZINC000052068538	350901939	/nfs/dbraw/zinc/90/19/39/350901939.db2.gz	TXBNQIXKCLSBIB-UHFFFAOYSA-N	-1	1	200.184	2.653	50	0		BFAAMM
O=C(Cc1ccc(F)cc1)c1ccc([O-])cc1O	ZINC000002566404	182037471	/nfs/dbraw/zinc/03/74/71/182037471.db2.gz	CXBCJNQNUZOTQH-UHFFFAOYSA-N	-1	1	246.237	2.662	50	0		BFAAMM
O=C([N-]c1cnoc1)c1nc2ccccc2s1	ZINC000075170856	182396783	/nfs/dbraw/zinc/39/67/83/182396783.db2.gz	DTBDUQBNVMVIPD-UHFFFAOYSA-N	-1	1	245.263	2.537	50	0		BFAAMM
[O-]c1cc(-n2cccc2)c(F)cc1Cl	ZINC000000170097	183257569	/nfs/dbraw/zinc/25/75/69/183257569.db2.gz	DTSJUZKIJJZXCD-UHFFFAOYSA-N	-1	1	211.623	2.975	50	0		BFAAMM
[O-]c1cc(OC(F)(F)F)ccc1Cl	ZINC000090413227	183260407	/nfs/dbraw/zinc/26/04/07/183260407.db2.gz	UKASVHZCKSRNNA-UHFFFAOYSA-N	-1	1	212.554	2.944	50	0		BFAAMM
O=c1nc(-c2ccc(F)cc2)[n-]c2ccsc21	ZINC000048603507	384097533	/nfs/dbraw/zinc/09/75/33/384097533.db2.gz	HPCCVNDRYFOEMN-UHFFFAOYSA-N	-1	1	246.266	2.791	50	0		BFAAMM
CCCn1cc(C(=O)c2cc(C)ccc2[O-])cn1	ZINC000058225140	384990395	/nfs/dbraw/zinc/99/03/95/384990395.db2.gz	NGLMJNUSDORRKD-UHFFFAOYSA-N	-1	1	244.294	2.538	50	0		BFAAMM
[O-]c1c(F)cc(/C=C\c2ccnnc2)cc1F	ZINC000888105366	635395267	/nfs/dbraw/zinc/39/52/67/635395267.db2.gz	UMHAVMMBUANCIV-UPHRSURJSA-N	-1	1	234.205	2.631	50	0		BFAAMM
O=c1cc(-c2ccc(-c3ccncc3)cc2)[n-][nH]1	ZINC000952966857	644446888	/nfs/dbraw/zinc/44/68/88/644446888.db2.gz	FMDSTAWJKHBEQJ-UHFFFAOYSA-N	-1	1	237.262	2.844	50	0		BFAAMM
Cc1cc([O-])c2c(c1)oc(=O)c1c2CCCC1	ZINC000006521480	178198348	/nfs/dbraw/zinc/19/83/48/178198348.db2.gz	KAIMSUNJCRGFPE-UHFFFAOYSA-N	-1	1	230.263	2.686	50	0	biogenic	BFAAMM
O=c1cc(C(F)(F)F)c2ccc([O-])cc2o1	ZINC000000057916	342672151	/nfs/dbraw/zinc/67/21/51/342672151.db2.gz	CCKWMCUOHJAVOL-UHFFFAOYSA-N	-1	1	230.141	2.517	50	0	biogenic	BFAAMM
CCCc1c(C)nc(SCC(C)C)[n-]c1=O	ZINC000004997560	342756297	/nfs/dbraw/zinc/75/62/97/342756297.db2.gz	LFZREOGFCVDZDL-UHFFFAOYSA-N	-1	1	240.372	2.779	50	0		BFAAMM
Cn1c(Cc2ccc(Cl)cc2)n[n-]c1=S	ZINC000005730873	342769242	/nfs/dbraw/zinc/76/92/42/342769242.db2.gz	BSSOKTNUYBQAIX-UHFFFAOYSA-N	-1	1	239.731	2.722	50	0		BFAAMM
Cc1cccc(O)c1NC(=O)c1ccccc1[O-]	ZINC000170592977	179161665	/nfs/dbraw/zinc/16/16/65/179161665.db2.gz	BVJXLLNOOGYONL-UHFFFAOYSA-N	-1	1	243.262	2.659	50	0		BFAAMM
Cc1cccc(O[C@H](C)c2n[n-]c(=S)n2C)c1	ZINC000016973688	179174768	/nfs/dbraw/zinc/17/47/68/179174768.db2.gz	NLTQFKRQWMFDAF-SECBINFHSA-N	-1	1	249.339	2.926	50	0		BFAAMM
Cc1ccccc1C=Cc1n[n-]c(=S)[nH]1	ZINC000014253600	179243926	/nfs/dbraw/zinc/24/39/26/179243926.db2.gz	XTADNOLSCBYCTP-VOTSOKGWSA-N	-1	1	217.297	2.946	50	0		BFAAMM
O=C(c1ccc([O-])cc1O)C1CCCCC1	ZINC000005568248	360490952	/nfs/dbraw/zinc/49/09/52/360490952.db2.gz	WQRKAVYOYRBICK-UHFFFAOYSA-N	-1	1	220.268	2.861	50	0		BFAAMM
O=C(NC1CCCC1)c1cc(Cl)ccc1[O-]	ZINC000012926989	182110554	/nfs/dbraw/zinc/11/05/54/182110554.db2.gz	SORJCZIQJVETDA-UHFFFAOYSA-N	-1	1	239.702	2.718	50	0		BFAAMM
O=C(NCC1CC1)c1cc2ccccc2cc1[O-]	ZINC000013005286	182139727	/nfs/dbraw/zinc/13/97/27/182139727.db2.gz	SUVJSPIMJAZVIC-UHFFFAOYSA-N	-1	1	241.290	2.685	50	0		BFAAMM
O=C(Nc1ccccc1)c1ccccc1[O-]	ZINC000000002057	182378192	/nfs/dbraw/zinc/37/81/92/182378192.db2.gz	WKEDVNSFRWHDNR-UHFFFAOYSA-N	-1	1	213.236	2.645	50	0	in-man	BFAAMM
CCCc1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000100070144	387471358	/nfs/dbraw/zinc/47/13/58/387471358.db2.gz	HKWVMUOXZSGYHF-UHFFFAOYSA-N	-1	1	216.284	2.839	50	0		BFAAMM
Cc1ccc(Nc2nc(C)c(C)c(=O)[n-]2)c(C)c1	ZINC000066324450	398091467	/nfs/dbraw/zinc/09/14/67/398091467.db2.gz	HSIFYNOROPAJKN-UHFFFAOYSA-N	-1	1	243.310	2.747	50	0		BFAAMM
CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1[O-]	ZINC000000036376	168254537	/nfs/dbraw/zinc/25/45/37/168254537.db2.gz	YPTSTYVADCNXPE-UHFFFAOYSA-N	-1	1	246.262	2.708	50	0		BFAAMM
S=c1nc[n-]c2c3cccnc3sc21	ZINC000004365213	490043243	/nfs/dbraw/zinc/04/32/43/490043243.db2.gz	VKYNRKPPWBUDET-UHFFFAOYSA-N	-1	1	219.294	2.528	50	0		BFAAMM
Cc1cc(=O)n(-c2ccccc2Cl)[n-]1	ZINC000101140076	178200604	/nfs/dbraw/zinc/20/06/04/178200604.db2.gz	AOJZHOSAFRXPQQ-UHFFFAOYSA-N	-1	1	208.648	2.540	50	0		BFAAMM
Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[n-]1	ZINC000100782393	178201234	/nfs/dbraw/zinc/20/12/34/178201234.db2.gz	IMRSZPUONDXNAB-UHFFFAOYSA-N	-1	1	242.200	2.905	50	0		BFAAMM
Cc1scc(-c2n[n-]c(=S)n2C)c1C	ZINC000002569137	342724763	/nfs/dbraw/zinc/72/47/63/342724763.db2.gz	YEQRMXBSHBPNAE-UHFFFAOYSA-N	-1	1	225.342	2.823	50	0		BFAAMM
CCCc1cc(=O)[n-]c(Nc2ccc(C)cc2)n1	ZINC000005012130	342756550	/nfs/dbraw/zinc/75/65/50/342756550.db2.gz	SXLFESMNOGTMAM-UHFFFAOYSA-N	-1	1	243.310	2.774	50	0		BFAAMM
CC(C)n1c(=S)[n-]nc1-c1ccco1	ZINC000006633954	342780116	/nfs/dbraw/zinc/78/01/16/342780116.db2.gz	AXBDLAPZXGIMID-UHFFFAOYSA-N	-1	1	209.274	2.782	50	0		BFAAMM
Cc1ccc2nc(-c3ccccc3)[n-]c(=O)c2c1	ZINC000027515246	343118046	/nfs/dbraw/zinc/11/80/46/343118046.db2.gz	YAEHYTHSAFRMPM-UHFFFAOYSA-N	-1	1	236.274	2.899	50	0		BFAAMM
O=C([O-])c1cccc(Nc2ccncc2)c1	ZINC000034131149	343265152	/nfs/dbraw/zinc/26/51/52/343265152.db2.gz	XZGYYDNYYBXBMG-UHFFFAOYSA-N	-1	1	214.224	2.523	50	0		BFAAMM
[O-]c1cc(-c2cccs2)sc(=S)n1	ZINC000000227626	343269561	/nfs/dbraw/zinc/26/95/61/343269561.db2.gz	YJTFIMIGVVQHES-UHFFFAOYSA-N	-1	1	227.335	2.894	50	0		BFAAMM
O=c1cc(-c2cccs2)sc(=S)[n-]1	ZINC000000227626	343269562	/nfs/dbraw/zinc/26/95/62/343269562.db2.gz	YJTFIMIGVVQHES-UHFFFAOYSA-N	-1	1	227.335	2.894	50	0		BFAAMM
CCOc1ccccc1Nc1n[n-]c(=S)[nH]1	ZINC000006247020	346646379	/nfs/dbraw/zinc/64/63/79/346646379.db2.gz	LSXPDGRAHWXVEL-UHFFFAOYSA-N	-1	1	236.300	2.610	50	0		BFAAMM
Cc1ccccc1CC(=O)c1ccc([O-])cc1O	ZINC000000315226	179260819	/nfs/dbraw/zinc/26/08/19/179260819.db2.gz	OPBRIMFSNKPBBC-UHFFFAOYSA-N	-1	1	242.274	2.832	50	0		BFAAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000393968	179306192	/nfs/dbraw/zinc/30/61/92/179306192.db2.gz	BIZZAMCVUWYVCZ-UHFFFAOYSA-N	-1	1	247.319	2.796	50	0		BFAAMM
O=C1[N-]C(=O)C(=C2CCCCCC2)S1	ZINC000017028215	355883959	/nfs/dbraw/zinc/88/39/59/355883959.db2.gz	NOFNRBSDKVIKFE-UHFFFAOYSA-N	-1	1	211.286	2.578	50	0		BFAAMM
O=C(Cc1ccccc1F)c1ccc([O-])cc1O	ZINC000000304317	182046223	/nfs/dbraw/zinc/04/62/23/182046223.db2.gz	MOSGILKWCKIFKC-UHFFFAOYSA-N	-1	1	246.237	2.662	50	0	biogenic	BFAAMM
O=C(NC1CCCCC1)c1cc([O-])cc(F)c1	ZINC000261494492	182112455	/nfs/dbraw/zinc/11/24/55/182112455.db2.gz	YWSNYWGJIKNXQV-UHFFFAOYSA-N	-1	1	237.274	2.594	50	0		BFAAMM
CCCCn1c(=O)cc([O-])c2ccccc21	ZINC000100295020	169032187	/nfs/dbraw/zinc/03/21/87/169032187.db2.gz	YHNLJAIQFUBFPF-UHFFFAOYSA-N	-1	1	217.268	2.507	50	0		BFAAMM
O=c1cc(-c2ccc(Br)cc2)[n-][nH]1	ZINC000000032601	183254604	/nfs/dbraw/zinc/25/46/04/183254604.db2.gz	NIEUMLZXCZNYEF-UHFFFAOYSA-N	-1	1	239.072	2.545	50	0		BFAAMM
[O-]c1cc(F)c(Cl)c(Br)c1	ZINC000263623663	183258515	/nfs/dbraw/zinc/25/85/15/183258515.db2.gz	JLHNWRBZQQAWRC-UHFFFAOYSA-N	-1	1	225.444	2.947	50	0		BFAAMM
O=[P@]([O-])(O)Cc1ccc(Cl)cc1Cl	ZINC000002178967	383956741	/nfs/dbraw/zinc/95/67/41/383956741.db2.gz	WQLKAHBHPFUKOJ-UHFFFAOYSA-N	-1	1	241.010	2.671	50	0		BFAAMM
Cc1cc(Br)cc([O-])c1F	ZINC000090413833	384048661	/nfs/dbraw/zinc/04/86/61/384048661.db2.gz	XRNNSKQHDNJRDJ-UHFFFAOYSA-N	-1	1	205.026	2.602	50	0		BFAAMM
O=C([O-])CCCc1nc2ccc(Cl)cc2[nH]1	ZINC000006445990	384153886	/nfs/dbraw/zinc/15/38/86/384153886.db2.gz	PUTVQEUMOTYCCR-UHFFFAOYSA-N	-1	1	238.674	2.624	50	0		BFAAMM
CC(C)Cn1c(=S)[n-]nc1-c1ccco1	ZINC000006493093	384154739	/nfs/dbraw/zinc/15/47/39/384154739.db2.gz	CZOLJPVMCCCRAX-UHFFFAOYSA-N	-1	1	223.301	2.857	50	0		BFAAMM
CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)F	ZINC000100044057	384612959	/nfs/dbraw/zinc/61/29/59/384612959.db2.gz	FTTQCEGWFGHNDU-UHFFFAOYSA-N	-1	1	246.175	2.758	50	0		BFAAMM
CCCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000100072230	384614414	/nfs/dbraw/zinc/61/44/14/384614414.db2.gz	OGJINVIYPLULOK-UHFFFAOYSA-N	-1	1	234.274	2.978	50	0		BFAAMM
CCCc1cc(=O)n(-c2ccccc2)[n-]1	ZINC000100137277	384618085	/nfs/dbraw/zinc/61/80/85/384618085.db2.gz	GKYWXLBARGQODW-UHFFFAOYSA-N	-1	1	202.257	2.530	50	0		BFAAMM
O=c1[nH]c2ccccc2c([O-])c1-c1ccccc1	ZINC000100258164	384628975	/nfs/dbraw/zinc/62/89/75/384628975.db2.gz	WNISVGSZMGXKHE-UHFFFAOYSA-N	-1	1	237.258	2.901	50	0	in-vivo	BFAAMM
CC(C)Oc1cc(Cl)cc([O-])c1F	ZINC000261493981	167286621	/nfs/dbraw/zinc/28/66/21/167286621.db2.gz	NEQYBCOSNNKVKE-UHFFFAOYSA-N	-1	1	204.628	2.972	50	0		BFAAMM
CC[C@H](C)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000002044358	171336745	/nfs/dbraw/zinc/33/67/45/171336745.db2.gz	RQYXVZYBAZYMNB-ZETCQYMHSA-N	-1	1	227.691	2.574	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccc(OC)cc1	ZINC000005686874	172130838	/nfs/dbraw/zinc/13/08/38/172130838.db2.gz	NAIPWRRJIAVUOG-UHFFFAOYSA-N	-1	1	235.312	2.636	50	0		BFAAMM
CCn1c(=S)[n-]nc1-c1ccoc1C	ZINC000005686876	172130956	/nfs/dbraw/zinc/13/09/56/172130956.db2.gz	RGBAHSPETWCIOA-UHFFFAOYSA-N	-1	1	209.274	2.529	50	0		BFAAMM
CCn1c(Cc2ccccc2)n[n-]c1=S	ZINC000000567049	172144107	/nfs/dbraw/zinc/14/41/07/172144107.db2.gz	GMKFDKUHIRAVBS-UHFFFAOYSA-N	-1	1	219.313	2.551	50	0		BFAAMM
COc1ccc(C=Cc2n[n-]c(=S)[nH]2)cc1	ZINC000016957322	175048011	/nfs/dbraw/zinc/04/80/11/175048011.db2.gz	SWKAJZUQUXPLLN-QPJJXVBHSA-N	-1	1	233.296	2.646	50	0		BFAAMM
COc1ccc([O-])c(C(=O)c2ccccc2)c1	ZINC000000336961	175157610	/nfs/dbraw/zinc/15/76/10/175157610.db2.gz	RIFCEURUCJPMOQ-UHFFFAOYSA-N	-1	1	228.247	2.632	50	0		BFAAMM
Fc1ccc(C=Cc2n[n-]c(=S)[nH]2)cc1	ZINC000083314897	644404712	/nfs/dbraw/zinc/40/47/12/644404712.db2.gz	PFXVFTIGERGZIQ-UTCJRWHESA-N	-1	1	221.260	2.777	50	0		BFAAMM
O=C1CC2(CCCCC2)Oc2cc([O-])cc(O)c21	ZINC000034477942	645408597	/nfs/dbraw/zinc/40/85/97/645408597.db2.gz	RJIBQCUXRPWOCQ-UHFFFAOYSA-N	-1	1	248.278	2.766	50	0		BFAAMM