smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)CC(C)(C)C1	ZINC000255189407	1019336652	/nfs/dbraw/zinc/33/66/52/1019336652.db2.gz	PQDWJCQALFHMLQ-SFYZADRCSA-N	-1	3	304.221	3.661	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1C	ZINC000032586238	1022368173	/nfs/dbraw/zinc/36/81/73/1022368173.db2.gz	ZOHRIKVZRYOGAT-UHFFFAOYSA-N	-1	3	319.426	3.757	40	0		DHABHM
C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)[C@@H](C)C[C@H]1C	ZINC000255188728	1026266292	/nfs/dbraw/zinc/26/62/92/1026266292.db2.gz	LEILTLAATFEQFY-LURQLKTLSA-N	-1	3	304.221	3.517	40	0		DHABHM
COc1nc2nccc(-c3cccc4ccccc43)c2c(=O)[n-]1	ZINC000022606901	182328080	/nfs/dbraw/zinc/32/80/80/182328080.db2.gz	KNVFWSVFXBNSGY-UHFFFAOYSA-N	-1	3	303.321	3.559	40	0		DHABHM
Cc1ccsc1/C=C1/[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409167441	257221630	/nfs/dbraw/zinc/22/16/30/257221630.db2.gz	LBJFULZSBAEQAS-XYOKQWHBSA-N	-1	3	318.785	3.807	40	0		DHABHM
Cc1cc(Cl)ccc1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000408713240	257228156	/nfs/dbraw/zinc/22/81/56/257228156.db2.gz	PGIHMTDIOFQUIZ-UHFFFAOYSA-N	-1	3	312.756	3.742	40	0		DHABHM
Cc1cc(Cl)ccc1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000408713240	257228157	/nfs/dbraw/zinc/22/81/57/257228157.db2.gz	PGIHMTDIOFQUIZ-UHFFFAOYSA-N	-1	3	312.756	3.742	40	0		DHABHM
CC(C)CCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3	ZINC000008772996	563350142	/nfs/dbraw/zinc/35/01/42/563350142.db2.gz	UYQAOACITRHOIH-LLVKDONJSA-N	-1	3	320.458	3.672	40	0	aggregator	DHABHM
Cc1ccc2sc(-c3ccc([N-]S(C)(=O)=O)cc3)nc2c1	ZINC000000093623	563606976	/nfs/dbraw/zinc/60/69/76/563606976.db2.gz	UVGMPEFHBQHEHR-UHFFFAOYSA-N	-1	3	318.423	3.643	40	0		DHABHM
Cc1ccccc1CN1CCC[C@H]1c1cccc(CCC(=O)[O-])n1	ZINC000257242352	563791369	/nfs/dbraw/zinc/79/13/69/563791369.db2.gz	ICBLUNVWNLNJIN-IBGZPJMESA-N	-1	3	324.424	3.744	40	0		DHABHM
CCc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1	ZINC000096659273	185385077	/nfs/dbraw/zinc/38/50/77/185385077.db2.gz	OSPAZXRWCZYBEG-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1[O-]	ZINC000005681942	181272329	/nfs/dbraw/zinc/27/23/29/181272329.db2.gz	PATNMPVYRILNMG-UHFFFAOYSA-N	-1	3	303.361	3.912	40	0		DHABHM
Cc1cccc(N2C(=O)c3cccc4c([O-])ccc(c43)C2=O)c1	ZINC000006451001	181342186	/nfs/dbraw/zinc/34/21/86/181342186.db2.gz	MHJLJGDLJYFYMZ-UHFFFAOYSA-N	-1	3	303.317	3.654	40	0		DHABHM
CCCCc1c([O-])nc(-c2cccc(Br)c2)oc1=O	ZINC000016639525	182054746	/nfs/dbraw/zinc/05/47/46/182054746.db2.gz	LQXBEYSVJVHJRI-UHFFFAOYSA-N	-1	3	324.174	3.513	40	0		DHABHM
O=C([N-]c1nncs1)c1ccc(-c2ccccc2Cl)o1	ZINC000021214463	182269471	/nfs/dbraw/zinc/26/94/71/182269471.db2.gz	YNKSUYGKPDYHDH-UHFFFAOYSA-N	-1	3	305.746	3.704	40	0		DHABHM
N[C@@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000044216541	183398735	/nfs/dbraw/zinc/39/87/35/183398735.db2.gz	FJWMZWXCCYEGIP-JTQLQIEISA-N	-1	3	300.141	3.728	40	0		DHABHM
Cc1cccc(-c2nc(CO[C@H]3CCCC[C@@H]3C)no2)c1[O-]	ZINC000333111031	336198126	/nfs/dbraw/zinc/19/81/26/336198126.db2.gz	XOOQNRKCQDLWGW-FZMZJTMJSA-N	-1	3	302.374	3.846	40	0		DHABHM
CC(C)(C)c1ccc(OC([O-])=NC(=S)c2cccnc2)cc1	ZINC000107972156	563676741	/nfs/dbraw/zinc/67/67/41/563676741.db2.gz	BYDIKNJASWPKNX-UHFFFAOYSA-N	-1	3	314.410	3.843	40	0		DHABHM
CC(C)(C)c1ccc(OC(=O)[N-]C(=S)c2cccnc2)cc1	ZINC000107972156	563676748	/nfs/dbraw/zinc/67/67/48/563676748.db2.gz	BYDIKNJASWPKNX-UHFFFAOYSA-N	-1	3	314.410	3.843	40	0		DHABHM
O=c1[n-]cncc1-c1ccc(OCc2ccccc2)c(Cl)c1	ZINC000096312730	563891787	/nfs/dbraw/zinc/89/17/87/563891787.db2.gz	ZKAGHYULBDGCBS-UHFFFAOYSA-N	-1	3	312.756	3.669	40	0		DHABHM
CC(C)n1cccc1CNC(=O)c1ccc2[n-]c(Cl)nc2c1	ZINC000225984408	201764917	/nfs/dbraw/zinc/76/49/17/201764917.db2.gz	OKCIEQQCXCKLLJ-UHFFFAOYSA-N	-1	3	316.792	3.529	40	0		DHABHM
Cc1ccc(N2C(=O)c3cccc4cc([O-])cc(c43)C2=O)cc1	ZINC000005544425	181255342	/nfs/dbraw/zinc/25/53/42/181255342.db2.gz	WRLFRWBICJORNK-UHFFFAOYSA-N	-1	3	303.317	3.654	40	0		DHABHM
Cc1ccc(-n2c(CNc3ccc(F)cc3)n[n-]c2=S)cc1	ZINC000006533860	181350799	/nfs/dbraw/zinc/35/07/99/181350799.db2.gz	WQWXKHFBDRDWKS-UHFFFAOYSA-N	-1	3	314.389	3.616	40	0		DHABHM
O=C([O-])c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1	ZINC000016401619	182043703	/nfs/dbraw/zinc/04/37/03/182043703.db2.gz	ZGWUSQMAPQHIRV-UHFFFAOYSA-N	-1	3	310.180	3.981	40	0		DHABHM
Cc1cc(NC(N)=S)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000020154657	182193331	/nfs/dbraw/zinc/19/33/31/182193331.db2.gz	FDIMNGGZWRZWOT-UHFFFAOYSA-N	-1	3	315.423	3.633	40	0		DHABHM
Cc1ccc(-n2c(COc3ccccc3)n[n-]c2=S)cc1C	ZINC000026439393	182441643	/nfs/dbraw/zinc/44/16/43/182441643.db2.gz	DDRFJVAZFGYURS-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
COc1ccc(NCc2ccc([O-])c(Br)c2)cc1	ZINC000057998003	184066154	/nfs/dbraw/zinc/06/61/54/184066154.db2.gz	DNAIUBIHRMEWML-UHFFFAOYSA-N	-1	3	308.175	3.775	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(C)C	ZINC000008040909	563641257	/nfs/dbraw/zinc/64/12/57/563641257.db2.gz	GZFHFCSHKFXCGD-UHFFFAOYSA-N	-1	3	323.389	3.759	40	0		DHABHM
CC(C)c1ccc2oc(-c3ccc(-n4cnnc4)cc3[O-])nc2c1	ZINC000045920461	563888756	/nfs/dbraw/zinc/88/87/56/563888756.db2.gz	VASCSWMDXWHCFL-UHFFFAOYSA-N	-1	3	320.352	3.905	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C	ZINC000032585320	1024881495	/nfs/dbraw/zinc/88/14/95/1024881495.db2.gz	YDNYSJGFQMVOMS-UHFFFAOYSA-N	-1	3	319.426	3.811	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)c1	ZINC000096659216	185385011	/nfs/dbraw/zinc/38/50/11/185385011.db2.gz	TVBPECLJYSOERG-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
C[C@@H]1CCCC(=O)CCC/C=C/c2cc([O-])cc(O)c2C(=O)O1	ZINC000003898789	181054139	/nfs/dbraw/zinc/05/41/39/181054139.db2.gz	MBMQEIFVQACCCH-QDBLGGKGSA-N	-1	3	318.369	3.580	40	0	endogenous,in-man	DHABHM
O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Cl)cc1	ZINC000007405010	181462714	/nfs/dbraw/zinc/46/27/14/181462714.db2.gz	LFCWMOVICKKYQF-UHFFFAOYSA-N	-1	3	321.707	3.558	40	0		DHABHM
Cc1cc(O)c(C)c2c1Oc1c(C)c([O-])cc(C)c1C(=O)O2	ZINC000031160738	560090446	/nfs/dbraw/zinc/09/04/46/560090446.db2.gz	JURQVQJHQONKKH-UHFFFAOYSA-N	-1	3	300.310	3.656	40	0	biogenic,in-vitro	DHABHM
O=C1OC(c2ccccc2)=N/C1=C/c1c([O-])ccc2ccccc21	ZINC000000207244	563230545	/nfs/dbraw/zinc/23/05/45/563230545.db2.gz	ROBNYAKIJZGSBC-SFQUDFHCSA-N	-1	3	315.328	3.890	40	0		DHABHM
COc1cc(C(=O)O[C@@H]2C[C@H]3C[C@]2(C)CC3(C)C)ccc1[O-]	ZINC000000519681	563264249	/nfs/dbraw/zinc/26/42/49/563264249.db2.gz	UYRQNTGJUQGOJG-WBHUJUFNSA-N	-1	3	304.386	3.772	40	0		DHABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)ccc1OC	ZINC000113970878	563586818	/nfs/dbraw/zinc/58/68/18/563586818.db2.gz	NHPIIGMQRZJWAA-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
COc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1F	ZINC000007360994	563640324	/nfs/dbraw/zinc/64/03/24/563640324.db2.gz	MDPUCLFBKXNOJC-UHFFFAOYSA-N	-1	3	323.389	3.560	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C	ZINC000032585507	563923013	/nfs/dbraw/zinc/92/30/13/563923013.db2.gz	RPPALVROMFFNHF-UHFFFAOYSA-N	-1	3	319.426	3.811	40	0		DHABHM
COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1[O-]	ZINC000004073859	181069959	/nfs/dbraw/zinc/06/99/59/181069959.db2.gz	KTOAGBIQQPGNIR-DWQUBVKVSA-N	-1	3	304.386	3.772	40	0		DHABHM
FC(F)(F)Oc1ccc(Br)c2nc(Cl)[n-]c21	ZINC000258837281	203070115	/nfs/dbraw/zinc/07/01/15/203070115.db2.gz	RJMGWWSYVVFMQN-UHFFFAOYSA-N	-1	3	315.476	3.877	40	0		DHABHM
FC(F)(F)Oc1ccc(Br)c2[n-]c(Cl)nc21	ZINC000258837281	203070118	/nfs/dbraw/zinc/07/01/18/203070118.db2.gz	RJMGWWSYVVFMQN-UHFFFAOYSA-N	-1	3	315.476	3.877	40	0		DHABHM
NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1	ZINC000020154587	182192856	/nfs/dbraw/zinc/19/28/56/182192856.db2.gz	NZRJTGFDQMQRBO-UHFFFAOYSA-N	-1	3	319.773	3.509	40	0		DHABHM
Cc1cnc(Nc2ccc(Br)c(C)c2C)[n-]c1=O	ZINC000408979111	257224609	/nfs/dbraw/zinc/22/46/09/257224609.db2.gz	LJXHILCXUWMKTK-UHFFFAOYSA-N	-1	3	308.179	3.614	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C	ZINC000055558768	563476582	/nfs/dbraw/zinc/47/65/82/563476582.db2.gz	VRINQSROMHRWOY-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
CC(C)COc1c2cc(Br)ccc2oc1C(=O)[O-]	ZINC000096510845	563486023	/nfs/dbraw/zinc/48/60/23/563486023.db2.gz	JKEFKPRHJSZIMS-UHFFFAOYSA-N	-1	3	313.147	3.928	40	0		DHABHM
Fc1ccc(CSc2nnc(C(F)(F)F)[n-]2)c(Cl)c1	ZINC000216860854	563857151	/nfs/dbraw/zinc/85/71/51/563857151.db2.gz	UCWFLEQDKDRCRS-UHFFFAOYSA-N	-1	3	311.691	3.908	40	0		DHABHM
Fc1ccc(CSc2nc(C(F)(F)F)n[n-]2)c(Cl)c1	ZINC000216860854	563857152	/nfs/dbraw/zinc/85/71/52/563857152.db2.gz	UCWFLEQDKDRCRS-UHFFFAOYSA-N	-1	3	311.691	3.908	40	0		DHABHM
Fc1ccc(CSc2n[n-]c(C(F)(F)F)n2)c(Cl)c1	ZINC000216860854	563857155	/nfs/dbraw/zinc/85/71/55/563857155.db2.gz	UCWFLEQDKDRCRS-UHFFFAOYSA-N	-1	3	311.691	3.908	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C	ZINC000032585518	563923000	/nfs/dbraw/zinc/92/30/00/563923000.db2.gz	OGLSAQVZGUUDMP-UHFFFAOYSA-N	-1	3	319.426	3.811	40	0		DHABHM
CC(C)CCN[C@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)[O-]	ZINC000096297101	563936241	/nfs/dbraw/zinc/93/62/41/563936241.db2.gz	YYENCQODAHCBRZ-LLVKDONJSA-N	-1	3	320.364	3.876	40	0	biogenic,in-vitro	DHABHM
C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)CC(C)(C)C1	ZINC000255189405	1019337030	/nfs/dbraw/zinc/33/70/30/1019337030.db2.gz	PQDWJCQALFHMLQ-HTQZYQBOSA-N	-1	3	304.221	3.661	40	0		DHABHM
CCOC(=O)C(=C([O-])c1ccccc1)C1SCCCCS1	ZINC000005473428	181247498	/nfs/dbraw/zinc/24/74/98/181247498.db2.gz	UAIAMYMZRKKLRB-CYBMUJFWSA-N	-1	3	324.467	3.635	40	0		DHABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C)c1	ZINC000013948443	563393238	/nfs/dbraw/zinc/39/32/38/563393238.db2.gz	ILUQERHLVLMQJO-UHFFFAOYSA-N	-1	3	307.390	3.860	40	0		DHABHM
O=c1[nH]c(=S)[n-]c2c1cnn2-c1ccc(-c2ccccc2)cc1	ZINC000085398004	563569719	/nfs/dbraw/zinc/56/97/19/563569719.db2.gz	LWOBCMULXUMXMB-UHFFFAOYSA-N	-1	3	320.377	3.851	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(C)C	ZINC000007360584	563640632	/nfs/dbraw/zinc/64/06/32/563640632.db2.gz	SVPROMPAAHZWAD-UHFFFAOYSA-N	-1	3	319.426	3.928	40	0		DHABHM
O=C([N-]c1ccccc1F)c1snnc1-c1cccs1	ZINC000225788018	563763618	/nfs/dbraw/zinc/76/36/18/563763618.db2.gz	GNPZAWUAARISME-UHFFFAOYSA-N	-1	3	305.359	3.658	40	0		DHABHM
CSc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1	ZINC000022233941	182314508	/nfs/dbraw/zinc/31/45/08/182314508.db2.gz	NRCQRLXCPGKQKY-UHFFFAOYSA-N	-1	3	310.378	3.502	40	0		DHABHM
CSc1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1	ZINC000022233941	182314510	/nfs/dbraw/zinc/31/45/10/182314510.db2.gz	NRCQRLXCPGKQKY-UHFFFAOYSA-N	-1	3	310.378	3.502	40	0		DHABHM
CCCCC(C(=O)C(C)C)=C([O-])C(=O)Nc1ccc(C)cc1C	ZINC000039943595	183023030	/nfs/dbraw/zinc/02/30/30/183023030.db2.gz	VWDXFLXWWZRUOG-HNNXBMFYSA-N	-1	3	317.429	3.843	40	0		DHABHM
Cc1ccc(/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)s1	ZINC000409076001	257223649	/nfs/dbraw/zinc/22/36/49/257223649.db2.gz	WFGFBZQMKLILAC-MDWZMJQESA-N	-1	3	318.785	3.807	40	0		DHABHM
Cc1cccc(-c2nc(CO[C@H]3CCCC[C@H]3C)no2)c1[O-]	ZINC000333111033	336198097	/nfs/dbraw/zinc/19/80/97/336198097.db2.gz	XOOQNRKCQDLWGW-RISCZKNCSA-N	-1	3	302.374	3.846	40	0		DHABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)c(C)c1C	ZINC000008132524	563344385	/nfs/dbraw/zinc/34/43/85/563344385.db2.gz	BBUKMWZSWAGAQJ-UHFFFAOYSA-N	-1	3	307.390	3.860	40	0		DHABHM
COc1cc(CNc2ccccc2)cc(Br)c1[O-]	ZINC000019879229	182160073	/nfs/dbraw/zinc/16/00/73/182160073.db2.gz	XDQPLNYPAPRGCR-UHFFFAOYSA-N	-1	3	308.175	3.775	40	0		DHABHM
FC(F)(F)c1nc2ccc(Br)cc2c(=S)[n-]1	ZINC000021953412	182300110	/nfs/dbraw/zinc/30/01/10/182300110.db2.gz	YWZJFCNJQMURFC-UHFFFAOYSA-N	-1	3	309.110	3.700	40	0		DHABHM
N[C@@H](CC(=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000044216767	183398471	/nfs/dbraw/zinc/39/84/71/183398471.db2.gz	DEDMBDKHYZMPEV-JTQLQIEISA-N	-1	3	300.141	3.728	40	0		DHABHM
Cc1ccc(Cc2c(C)nc(Nc3ccc(F)cc3)[n-]c2=O)cc1	ZINC000013637074	563384171	/nfs/dbraw/zinc/38/41/71/563384171.db2.gz	RVQTUARJRIRILY-UHFFFAOYSA-N	-1	3	323.371	3.860	40	0		DHABHM
Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccccc1[O-]	ZINC000059474622	563771596	/nfs/dbraw/zinc/77/15/96/563771596.db2.gz	SWVWCYQOZVRCJK-UHFFFAOYSA-N	-1	3	310.180	3.937	40	0		DHABHM
Cc1ccc(OCc2n[n-]c(=S)n2-c2ccccc2C)cc1	ZINC000026439404	563864850	/nfs/dbraw/zinc/86/48/50/563864850.db2.gz	BNTIJZLFVSRWBJ-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1	ZINC000000269442	180744031	/nfs/dbraw/zinc/74/40/31/180744031.db2.gz	OQTUWDWJDGOJBC-UHFFFAOYSA-N	-1	3	301.411	3.675	40	0		DHABHM
COc1ccccc1Nc1[n-]c(=S)nnc1-c1ccccc1	ZINC000003846918	181048895	/nfs/dbraw/zinc/04/88/95/181048895.db2.gz	BAJGHJNEENTSRG-UHFFFAOYSA-N	-1	3	310.382	3.953	40	0		DHABHM
C[C@](NCCc1cccs1)(C(=O)[O-])c1ccccc1Cl	ZINC000022116235	182309490	/nfs/dbraw/zinc/30/94/90/182309490.db2.gz	FQGRUDPKXRQARQ-OAHLLOKOSA-N	-1	3	309.818	3.534	40	0		DHABHM
O=C(Nc1cccc2ccccc21)c1c[n-]c2ccccc2c1=O	ZINC000040176870	183044271	/nfs/dbraw/zinc/04/42/71/183044271.db2.gz	UQNLIGRDBMYSGB-UHFFFAOYSA-N	-1	3	314.344	3.934	40	0		DHABHM
O=C(Nc1cccc2ccccc21)c1cnc2ccccc2c1[O-]	ZINC000040176870	183044274	/nfs/dbraw/zinc/04/42/74/183044274.db2.gz	UQNLIGRDBMYSGB-UHFFFAOYSA-N	-1	3	314.344	3.934	40	0		DHABHM
Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)o1	ZINC000041076804	183164200	/nfs/dbraw/zinc/16/42/00/183164200.db2.gz	RFJXSTUBFHFVGG-MRVPVSSYSA-N	-1	3	300.383	3.678	40	0		DHABHM
Cc1ccc(C)c(-n2c(COc3ccccc3)n[n-]c2=S)c1	ZINC000013535322	563839673	/nfs/dbraw/zinc/83/96/73/563839673.db2.gz	SMHVGSDYPSPXBU-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
Cc1ccc(OCc2n[n-]c(=S)n2-c2ccc(F)cc2)cc1	ZINC000013534328	563839867	/nfs/dbraw/zinc/83/98/67/563839867.db2.gz	XEGGJGSRTBZKBD-UHFFFAOYSA-N	-1	3	315.373	3.583	40	0		DHABHM
CCc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1	ZINC000096659265	185385090	/nfs/dbraw/zinc/38/50/90/185385090.db2.gz	VTBOSBGCWURAIZ-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)c1	ZINC000096659230	185385112	/nfs/dbraw/zinc/38/51/12/185385112.db2.gz	YOORHALCTWOKPZ-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C	ZINC000096659222	185385130	/nfs/dbraw/zinc/38/51/30/185385130.db2.gz	MNBJZEJKIBUQBZ-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
Cc1c2[nH]c3ccccc3c2ccc1CC[N-]C(=O)C(F)(F)F	ZINC000001717245	563293279	/nfs/dbraw/zinc/29/32/79/563293279.db2.gz	WGAXBVYGPSFPGI-UHFFFAOYSA-N	-1	3	320.314	3.851	40	0		DHABHM
CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)cc1	ZINC000078403652	563513253	/nfs/dbraw/zinc/51/32/53/563513253.db2.gz	KBFQNRSXLJGXHU-UHFFFAOYSA-N	-1	3	316.426	3.579	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C	ZINC000006207816	563921285	/nfs/dbraw/zinc/92/12/85/563921285.db2.gz	JAPXGUWIHBKTBN-UHFFFAOYSA-N	-1	3	305.399	3.503	40	0		DHABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000006362064	563921432	/nfs/dbraw/zinc/92/14/32/563921432.db2.gz	ZNJMLLXDWJCVOC-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl	ZINC000096659489	185385328	/nfs/dbraw/zinc/38/53/28/185385328.db2.gz	XEEPZOARSRCWES-UHFFFAOYSA-N	-1	3	313.781	3.897	40	0		DHABHM
CCc1cccc(CC)c1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000022233983	182314404	/nfs/dbraw/zinc/31/44/04/182314404.db2.gz	MKFJVLOWTYFESB-UHFFFAOYSA-N	-1	3	320.392	3.905	40	0		DHABHM
CCc1cccc(CC)c1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000022233983	182314407	/nfs/dbraw/zinc/31/44/07/182314407.db2.gz	MKFJVLOWTYFESB-UHFFFAOYSA-N	-1	3	320.392	3.905	40	0		DHABHM
Cc1cc(CC([O-])(C(F)(F)Cl)C(F)(F)Cl)cc(C)n1	ZINC000001614913	563288161	/nfs/dbraw/zinc/28/81/61/563288161.db2.gz	LZUVAJDQVUTZNW-UHFFFAOYSA-N	-1	3	320.113	3.635	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(C)C	ZINC000007361258	563640617	/nfs/dbraw/zinc/64/06/17/563640617.db2.gz	KQRPPBGQVPJNCB-UHFFFAOYSA-N	-1	3	319.426	3.928	40	0		DHABHM
Cc1cccc(C)c1-n1c(COc2ccccc2)n[n-]c1=S	ZINC000026439389	563864900	/nfs/dbraw/zinc/86/49/00/563864900.db2.gz	QNNRBYJWHIUVNH-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
FC(F)c1nc(SCc2cccc(Br)c2)n[n-]1	ZINC000216902785	1027994301	/nfs/dbraw/zinc/99/43/01/1027994301.db2.gz	PDHOBJWEEMBBLU-UHFFFAOYSA-N	-1	3	320.162	3.797	40	0		DHABHM
COc1nc2nccc(-c3ccc4ccccc4c3)c2c(=O)[n-]1	ZINC000022606903	182327894	/nfs/dbraw/zinc/32/78/94/182327894.db2.gz	HYLJMAIQWBKYLF-UHFFFAOYSA-N	-1	3	303.321	3.559	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1F	ZINC000192671324	256591871	/nfs/dbraw/zinc/59/18/71/256591871.db2.gz	CGNXTPGLEINERQ-UHFFFAOYSA-N	-1	3	323.389	3.560	40	0		DHABHM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000045520839	563465046	/nfs/dbraw/zinc/46/50/46/563465046.db2.gz	WFTZNUKWRDZSDA-UHFFFAOYSA-N	-1	3	317.744	3.727	40	0		DHABHM
CC(C)CCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3	ZINC000008772997	563349749	/nfs/dbraw/zinc/34/97/49/563349749.db2.gz	UYQAOACITRHOIH-NSHDSACASA-N	-1	3	320.458	3.672	40	0	aggregator	DHABHM
O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)CCN2	ZINC000078403654	563513067	/nfs/dbraw/zinc/51/30/67/563513067.db2.gz	NEGCEDOMQFTYOH-UHFFFAOYSA-N	-1	3	324.405	3.609	40	0		DHABHM
[O-]c1ccc(Cl)cc1NC(=S)NCCCc1ccccc1	ZINC000243961841	563916868	/nfs/dbraw/zinc/91/68/68/563916868.db2.gz	SAUPXRAVUBLLQY-UHFFFAOYSA-N	-1	3	320.845	3.965	40	0		DHABHM
C[C@H]1C[C@@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)CC(C)(C)C1	ZINC000255189406	1019337595	/nfs/dbraw/zinc/33/75/95/1019337595.db2.gz	PQDWJCQALFHMLQ-JGVFFNPUSA-N	-1	3	304.221	3.661	40	0		DHABHM
FC(F)c1nc(SCc2ccc(Br)cc2)n[n-]1	ZINC000216902942	1027994376	/nfs/dbraw/zinc/99/43/76/1027994376.db2.gz	DRBRTHMFLLTEFQ-UHFFFAOYSA-N	-1	3	320.162	3.797	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)c1	ZINC000096659193	185385019	/nfs/dbraw/zinc/38/50/19/185385019.db2.gz	ITJLAOSPFQXSNU-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
COc1ccc(Nc2[n-]c(=S)nnc2-c2ccccc2)cc1	ZINC000003846919	181049213	/nfs/dbraw/zinc/04/92/13/181049213.db2.gz	IZGGWVXRTKLPLF-UHFFFAOYSA-N	-1	3	310.382	3.953	40	0		DHABHM
O=C(CSc1nc2ccccc2[n-]c1=S)c1ccccc1	ZINC000005687878	181272923	/nfs/dbraw/zinc/27/29/23/181272923.db2.gz	RGLDRFFCBIXMSM-UHFFFAOYSA-N	-1	3	312.419	3.894	40	0		DHABHM
CCCCCCc1cc([O-])c2c(c1)oc(=O)c1c2CCN(C)C1	ZINC000019855587	182156957	/nfs/dbraw/zinc/15/69/57/182156957.db2.gz	ZHYWJBGMWFNSCN-UHFFFAOYSA-N	-1	3	315.413	3.609	40	0		DHABHM
O=C(Cc1ccc(Br)cc1)c1cc(F)ccc1[O-]	ZINC000002243277	563302430	/nfs/dbraw/zinc/30/24/30/563302430.db2.gz	UKXGFMPVSZUPIP-UHFFFAOYSA-N	-1	3	309.134	3.719	40	0		DHABHM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C)c1	ZINC000014254775	563399614	/nfs/dbraw/zinc/39/96/14/563399614.db2.gz	SRNPQQFQWVYFIL-UHFFFAOYSA-N	-1	3	311.353	3.691	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)c1C	ZINC000223861762	563737065	/nfs/dbraw/zinc/73/70/65/563737065.db2.gz	JWLXNUJMFZJKRI-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
Cc1cc(NC(=O)c2ccccc2)cc(Br)c1[O-]	ZINC000216738953	563851382	/nfs/dbraw/zinc/85/13/82/563851382.db2.gz	SRISLNWTOICENZ-UHFFFAOYSA-N	-1	3	306.159	3.715	40	0		DHABHM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1	ZINC000096659583	185385406	/nfs/dbraw/zinc/38/54/06/185385406.db2.gz	ODFADNOMXQGHBM-UHFFFAOYSA-N	-1	3	323.389	3.722	40	0		DHABHM
Cc1cc(S[C@@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)[n-]c(=S)n1	ZINC000006281445	181325591	/nfs/dbraw/zinc/32/55/91/181325591.db2.gz	FQMQIQCRUPFDGN-BCQZVRRWSA-N	-1	3	308.472	3.560	40	0		DHABHM
Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)o1	ZINC000041076805	183163826	/nfs/dbraw/zinc/16/38/26/183163826.db2.gz	RFJXSTUBFHFVGG-QMMMGPOBSA-N	-1	3	300.383	3.678	40	0		DHABHM
Cc1ccc([N-]c2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1	ZINC000001573467	563285704	/nfs/dbraw/zinc/28/57/04/563285704.db2.gz	SWIUQBFXLZSMJW-UHFFFAOYSA-N	-1	3	309.325	3.826	40	0	in-vitro	DHABHM
CCc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1OC	ZINC000113970994	563586722	/nfs/dbraw/zinc/58/67/22/563586722.db2.gz	SUZGBGMMZLIANK-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C	ZINC000032585559	1022364384	/nfs/dbraw/zinc/36/43/84/1022364384.db2.gz	HOULJABGVVOJIC-UHFFFAOYSA-N	-1	3	305.399	3.503	40	0		DHABHM
CC(C)(C)c1cc(C(=O)C(C)(C)NO)cc(C(C)(C)C)c1[O-]	ZINC000000136148	257211398	/nfs/dbraw/zinc/21/13/98/257211398.db2.gz	DJJISRVITXOFLR-UHFFFAOYSA-N	-1	3	307.434	3.927	40	0		DHABHM
[O-]c1cc(O)ccc1-c1nc2cnccn2c1NC1CCCCC1	ZINC000012113805	563361991	/nfs/dbraw/zinc/36/19/91/563361991.db2.gz	YAOVWQYICOOOGY-UHFFFAOYSA-N	-1	3	324.384	3.552	40	0		DHABHM
CCS(=O)(=O)c1cn[n-]c1-c1ccc(-c2ccccc2)cc1	ZINC000096510069	563486044	/nfs/dbraw/zinc/48/60/44/563486044.db2.gz	ZAIUGVBCXQEGPZ-UHFFFAOYSA-N	-1	3	312.394	3.537	40	0		DHABHM
CCS(=O)(=O)c1c[n-]nc1-c1ccc(-c2ccccc2)cc1	ZINC000096510069	563486048	/nfs/dbraw/zinc/48/60/48/563486048.db2.gz	ZAIUGVBCXQEGPZ-UHFFFAOYSA-N	-1	3	312.394	3.537	40	0		DHABHM
O=C(CSc1nc2ccccc2s1)Nc1ccccc1[O-]	ZINC000003154167	563635836	/nfs/dbraw/zinc/63/58/36/563635836.db2.gz	JVCNKTSZPNWHSB-UHFFFAOYSA-N	-1	3	316.407	3.733	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C	ZINC000032585501	563922961	/nfs/dbraw/zinc/92/29/61/563922961.db2.gz	XWZYAGVSWZXMTG-UHFFFAOYSA-N	-1	3	319.426	3.811	40	0		DHABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1F	ZINC000096659581	185385240	/nfs/dbraw/zinc/38/52/40/185385240.db2.gz	IZSSACYVTBBLIE-UHFFFAOYSA-N	-1	3	323.389	3.722	40	0		DHABHM
CCc1ccc(-n2c(COc3ccccc3)n[n-]c2=S)cc1	ZINC000004619652	181129859	/nfs/dbraw/zinc/12/98/59/181129859.db2.gz	QUIBWZHLFXEUNI-UHFFFAOYSA-N	-1	3	311.410	3.697	40	0		DHABHM
[O-]c1c(Br)cc(CN2CCCCC2)c2cccnc12	ZINC000020506502	182225849	/nfs/dbraw/zinc/22/58/49/182225849.db2.gz	RBGQXVWUYJJKBV-UHFFFAOYSA-N	-1	3	321.218	3.689	40	0		DHABHM
CC1(C)CCc2cc([N-]S(=O)(=O)c3ccccc3)ccc2O1	ZINC000024613992	182385168	/nfs/dbraw/zinc/38/51/68/182385168.db2.gz	IRXNMXDYVXJNRD-UHFFFAOYSA-N	-1	3	317.410	3.591	40	0		DHABHM
Cc1ccc(/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)s1	ZINC000409245377	257220187	/nfs/dbraw/zinc/22/01/87/257220187.db2.gz	RUORSAAWQTVHNS-MDWZMJQESA-N	-1	3	318.785	3.807	40	0		DHABHM
CCCCc1ccc(-n2ncc3c2[n-]c(=S)[nH]c3=O)cc1	ZINC000085398003	563569711	/nfs/dbraw/zinc/56/97/11/563569711.db2.gz	UAOHEJCUJUDBQT-UHFFFAOYSA-N	-1	3	300.387	3.526	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(C)C	ZINC000008040949	563641010	/nfs/dbraw/zinc/64/10/10/563641010.db2.gz	JYWXZQAZBGNTTF-UHFFFAOYSA-N	-1	3	323.389	3.759	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1	ZINC000006362080	181334446	/nfs/dbraw/zinc/33/44/46/181334446.db2.gz	UBAPTNSODGETIX-UHFFFAOYSA-N	-1	3	319.426	3.757	40	0		DHABHM
N[C@H](CC(=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000044216764	183398643	/nfs/dbraw/zinc/39/86/43/183398643.db2.gz	DEDMBDKHYZMPEV-SNVBAGLBSA-N	-1	3	300.141	3.728	40	0		DHABHM
CCSc1ccccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000030855511	563439605	/nfs/dbraw/zinc/43/96/05/563439605.db2.gz	KQCFEFDAFOBFOW-UHFFFAOYSA-N	-1	3	307.440	3.741	40	0		DHABHM
C[C@H]1CCCC(=O)CCCC=Cc2cc([O-])cc(O)c2C(=O)O1	ZINC000253667257	560039908	/nfs/dbraw/zinc/03/99/08/560039908.db2.gz	MBMQEIFVQACCCH-LBPRGKRZSA-N	-1	3	318.369	3.580	40	0	endogenous,in-man	DHABHM
O=C(Oc1ccc(Cl)cc1Cl)Sc1nc([O-])cs1	ZINC000001671018	563290677	/nfs/dbraw/zinc/29/06/77/563290677.db2.gz	JLNXLAAFOZEIBM-UHFFFAOYSA-N	-1	3	322.194	3.855	40	0		DHABHM
COc1ccc(C(=O)Nc2c([O-])ccc3ccccc32)cc1OC	ZINC000001706112	563292604	/nfs/dbraw/zinc/29/26/04/563292604.db2.gz	FGEPCKCFNIFHLG-UHFFFAOYSA-N	-1	3	323.348	3.815	40	0		DHABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000014255544	563399662	/nfs/dbraw/zinc/39/96/62/563399662.db2.gz	PVNYNEKLDMWMPY-UHFFFAOYSA-N	-1	3	303.427	3.975	40	0		DHABHM
CCc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1OC	ZINC000113970882	563587025	/nfs/dbraw/zinc/58/70/25/563587025.db2.gz	REGUDPLWLOIVPT-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
CCc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1OC	ZINC000113971320	563587093	/nfs/dbraw/zinc/58/70/93/563587093.db2.gz	XRHQPZFTSYQIJM-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
O=C(Nc1ccccc1[O-])c1ccc(COc2ccccc2)o1	ZINC000198119185	563679097	/nfs/dbraw/zinc/67/90/97/563679097.db2.gz	LCIPYGUWBBPTMU-UHFFFAOYSA-N	-1	3	309.321	3.817	40	0		DHABHM
Cc1ccc(OCc2n[n-]c(=S)n2-c2cccc(C)c2)cc1	ZINC000026439409	563864771	/nfs/dbraw/zinc/86/47/71/563864771.db2.gz	LMAFGHDBCHMTBB-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
C[C@@H]1C[C@H](C)[C@@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)C[C@@H]1C	ZINC000255188730	1026267400	/nfs/dbraw/zinc/26/74/00/1026267400.db2.gz	LEILTLAATFEQFY-XGEHTFHBSA-N	-1	3	304.221	3.517	40	0		DHABHM
COc1cccc(-c2nc(=O)c3c4ccccc4sc3[nH]2)c1[O-]	ZINC000006381776	181335636	/nfs/dbraw/zinc/33/56/36/181335636.db2.gz	UWQKDSUQYTYYFD-UHFFFAOYSA-N	-1	3	324.361	3.519	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C	ZINC000006362163	181334486	/nfs/dbraw/zinc/33/44/86/181334486.db2.gz	NHIUUHTZGJASGY-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
N[C@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000044216759	183398662	/nfs/dbraw/zinc/39/86/62/183398662.db2.gz	NALUAFBDJSUGSD-SNVBAGLBSA-N	-1	3	300.141	3.728	40	0		DHABHM
C[C@@H]1CCCC(=O)CCCC=Cc2cc([O-])cc(O)c2C(=O)O1	ZINC000254823513	560041374	/nfs/dbraw/zinc/04/13/74/560041374.db2.gz	MBMQEIFVQACCCH-GFCCVEGCSA-N	-1	3	318.369	3.580	40	0	endogenous,in-man	DHABHM
CC(=O)c1csc([N-]C(=O)c2cc(C3CCCCC3)no2)n1	ZINC000012198207	563364119	/nfs/dbraw/zinc/36/41/19/563364119.db2.gz	FMKUTYPSKZZUIN-UHFFFAOYSA-N	-1	3	319.386	3.634	40	0		DHABHM
[O-]c1csc(C(=Cc2ccccc2)c2nc3ccccc3[nH]2)n1	ZINC000031842205	563441174	/nfs/dbraw/zinc/44/11/74/563441174.db2.gz	NNMKULLTADOZFY-RAXLEYEMSA-N	-1	3	319.389	3.775	40	0		DHABHM
CCc1ccccc1-n1c(COc2ccccc2)n[n-]c1=S	ZINC000013535318	563839755	/nfs/dbraw/zinc/83/97/55/563839755.db2.gz	HOVQVVCYYWPMCS-UHFFFAOYSA-N	-1	3	311.410	3.697	40	0		DHABHM
COc1cc(Br)cc(C=NNc2ccccc2)c1[O-]	ZINC000041214269	563923118	/nfs/dbraw/zinc/92/31/18/563923118.db2.gz	KNNHQGXCTCXHPA-CXUHLZMHSA-N	-1	3	321.174	3.609	40	0		DHABHM
O=c1cc(-c2ccc([O-])cc2)oc2ccc(Br)cc12	ZINC000005579608	181259520	/nfs/dbraw/zinc/25/95/20/181259520.db2.gz	BQCQPDOLZOGWPV-UHFFFAOYSA-N	-1	3	317.138	3.928	40	0		DHABHM
COc1cc(C(=O)O[C@H]2C[C@@H]3C[C@@]2(C)CC3(C)C)ccc1[O-]	ZINC000006202121	181319087	/nfs/dbraw/zinc/31/90/87/181319087.db2.gz	UYRQNTGJUQGOJG-MRAWALMUSA-N	-1	3	304.386	3.772	40	0		DHABHM
N[C@@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000044216761	183398637	/nfs/dbraw/zinc/39/86/37/183398637.db2.gz	NALUAFBDJSUGSD-JTQLQIEISA-N	-1	3	300.141	3.728	40	0		DHABHM
N[C@H](CC(=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000044216538	183398882	/nfs/dbraw/zinc/39/88/82/183398882.db2.gz	FJWMZWXCCYEGIP-SNVBAGLBSA-N	-1	3	300.141	3.728	40	0		DHABHM
COc1ccc2c(Cc3cc(Cl)ccc3[O-])c[nH]cc-2c1=O	ZINC000001719365	563293177	/nfs/dbraw/zinc/29/31/77/563293177.db2.gz	IJYCYZBKWNLYDG-UHFFFAOYSA-N	-1	3	315.756	3.899	40	0		DHABHM
COC(=O)c1cc([O-])cc(Oc2cccc(C(F)(F)F)c2)c1	ZINC000015042852	563406080	/nfs/dbraw/zinc/40/60/80/563406080.db2.gz	SKLXDUWXEGRQPE-UHFFFAOYSA-N	-1	3	312.243	3.990	40	0		DHABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1OC	ZINC000113970997	563587150	/nfs/dbraw/zinc/58/71/50/563587150.db2.gz	TWKKEFMWAHILDK-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
O=S(=O)([N-]CC1=CCCCC1)c1cc(Cl)ccc1Cl	ZINC000223979826	563738739	/nfs/dbraw/zinc/73/87/39/563738739.db2.gz	AWJDVVWLIFQITM-UHFFFAOYSA-N	-1	3	320.241	3.772	40	0		DHABHM
O=c1[n-]cncc1-c1cc(Cl)ccc1OCc1ccccc1	ZINC000096312709	563891531	/nfs/dbraw/zinc/89/15/31/563891531.db2.gz	ZQKBXXVTLZPILG-UHFFFAOYSA-N	-1	3	312.756	3.669	40	0		DHABHM
COC(=O)c1ccc(-c2cc(C=O)c([O-])c(C(C)(C)C)c2)cc1	ZINC000514267335	563927237	/nfs/dbraw/zinc/92/72/37/563927237.db2.gz	FDMSWCLTITVCTD-UHFFFAOYSA-N	-1	3	312.365	3.956	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)c1	ZINC000096659241	185384933	/nfs/dbraw/zinc/38/49/33/185384933.db2.gz	XZLCGJRBENOILS-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
CCCCN(CCCC)C(=O)c1c[n-]c2ccccc2c1=O	ZINC000005645928	181268177	/nfs/dbraw/zinc/26/81/77/181268177.db2.gz	HVJOVXDPOBWUIN-UHFFFAOYSA-N	-1	3	300.402	3.571	40	0		DHABHM
C[C@H]1CCCC(=O)CCC/C=C/c2c([O-])cc(O)cc2C(=O)O1	ZINC000005751871	181280858	/nfs/dbraw/zinc/28/08/58/181280858.db2.gz	IDRIRNCRDAJRDI-KFRNIWOLSA-N	-1	3	318.369	3.580	40	0		DHABHM
CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000006264455	181324426	/nfs/dbraw/zinc/32/44/26/181324426.db2.gz	AFYFCVUFZHEICK-UHFFFAOYSA-N	-1	3	305.399	3.666	40	0		DHABHM
Fc1cccc(Cl)c1CSc1nnc(C(F)(F)F)[n-]1	ZINC000016941320	182065148	/nfs/dbraw/zinc/06/51/48/182065148.db2.gz	IOZHBOCSRVIWDM-UHFFFAOYSA-N	-1	3	311.691	3.908	40	0		DHABHM
Fc1cccc(Cl)c1CSc1nc(C(F)(F)F)n[n-]1	ZINC000016941320	182065149	/nfs/dbraw/zinc/06/51/49/182065149.db2.gz	IOZHBOCSRVIWDM-UHFFFAOYSA-N	-1	3	311.691	3.908	40	0		DHABHM
Fc1cccc(Cl)c1CSc1n[n-]c(C(F)(F)F)n1	ZINC000016941320	182065151	/nfs/dbraw/zinc/06/51/51/182065151.db2.gz	IOZHBOCSRVIWDM-UHFFFAOYSA-N	-1	3	311.691	3.908	40	0		DHABHM
O=c1oc(-c2ccc(Cl)cc2)nc([O-])c1Cc1ccccc1	ZINC000019596964	182132731	/nfs/dbraw/zinc/13/27/31/182132731.db2.gz	YYXKGYMGTTZLSS-UHFFFAOYSA-N	-1	3	313.740	3.652	40	0		DHABHM
Cc1cccc(-c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)c1[O-]	ZINC000333111034	336198108	/nfs/dbraw/zinc/19/81/08/336198108.db2.gz	XOOQNRKCQDLWGW-SMDDNHRTSA-N	-1	3	302.374	3.846	40	0		DHABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1	ZINC000000563054	563266502	/nfs/dbraw/zinc/26/65/02/563266502.db2.gz	PPXMHTWGFXWJNR-UHFFFAOYSA-N	-1	3	315.316	3.815	40	0		DHABHM
Cc1ccc(C)c(Cn2c3ccccc3n3c([S-])nnc23)c1	ZINC000013534378	563659749	/nfs/dbraw/zinc/65/97/49/563659749.db2.gz	XFMMBQKNYMFSMR-UHFFFAOYSA-N	-1	3	308.410	3.638	40	0		DHABHM
COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1[O-]	ZINC000001117302	563887416	/nfs/dbraw/zinc/88/74/16/563887416.db2.gz	KTOAGBIQQPGNIR-WBHUJUFNSA-N	-1	3	304.386	3.772	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C	ZINC000096659188	185385098	/nfs/dbraw/zinc/38/50/98/185385098.db2.gz	MAWHJZCZWHOKQF-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
O=S(=O)([N-]CC1CCCCC1)c1cc(Cl)ccc1Cl	ZINC000003285125	181000353	/nfs/dbraw/zinc/00/03/53/181000353.db2.gz	YBPDGIRDHJACSB-UHFFFAOYSA-N	-1	3	322.257	3.852	40	0		DHABHM
Cc1ccc(/C=C2\SC(=O)N(c3ccc([O-])cc3)C2=O)o1	ZINC000005214768	181217745	/nfs/dbraw/zinc/21/77/45/181217745.db2.gz	AUENDXKYVCFVAU-JYRVWZFOSA-N	-1	3	301.323	3.535	40	0		DHABHM
O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1[O-]	ZINC000019986587	182173666	/nfs/dbraw/zinc/17/36/66/182173666.db2.gz	POJPGFQJAKWRDB-UHFFFAOYSA-N	-1	3	310.180	3.672	40	0		DHABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000022841299	182336790	/nfs/dbraw/zinc/33/67/90/182336790.db2.gz	DVUNOHYNZXTRPJ-UHFFFAOYSA-N	-1	3	307.390	3.806	40	0		DHABHM
Cc1cc2nc(-c3ccc(N)cc3[O-])oc2c(Br)c1	ZINC000040542283	183098533	/nfs/dbraw/zinc/09/85/33/183098533.db2.gz	BMEBMTPUKNWRJN-UHFFFAOYSA-N	-1	3	319.158	3.854	40	0		DHABHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)c1	ZINC000041091179	183164036	/nfs/dbraw/zinc/16/40/36/183164036.db2.gz	VIBSUYJVDIAIEG-UHFFFAOYSA-N	-1	3	307.390	3.860	40	0		DHABHM
O=C(Nc1cc(Cl)ccc1[O-])c1ccc(N2CCCC2)cc1	ZINC000408678386	257228649	/nfs/dbraw/zinc/22/86/49/257228649.db2.gz	YARKEJXZMRCELT-UHFFFAOYSA-N	-1	3	316.788	3.898	40	0		DHABHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1	ZINC000014256946	563399583	/nfs/dbraw/zinc/39/95/83/563399583.db2.gz	ABIFUQKADRATKG-UHFFFAOYSA-N	-1	3	318.442	3.677	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(C)C	ZINC000007360950	563640376	/nfs/dbraw/zinc/64/03/76/563640376.db2.gz	DRUNDHCBRMNBRE-UHFFFAOYSA-N	-1	3	319.426	3.928	40	0		DHABHM
Cc1cccc(CN2CCC[C@@H]2c2cccc(CCC(=O)[O-])n2)c1	ZINC000257292440	203017675	/nfs/dbraw/zinc/01/76/75/203017675.db2.gz	QLMFUQYVLVQYFH-LJQANCHMSA-N	-1	3	324.424	3.744	40	0		DHABHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)c1	ZINC000041091267	183164245	/nfs/dbraw/zinc/16/42/45/183164245.db2.gz	SQDSAKZVYWSXEM-UHFFFAOYSA-N	-1	3	307.390	3.860	40	0		DHABHM
Cc1ccc(OCc2n[n-]c(=S)n2-c2ccc(C)cc2)cc1	ZINC000005687766	181272613	/nfs/dbraw/zinc/27/26/13/181272613.db2.gz	XGLMXRRHIBTVJA-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
Cc1cc(S[C@H]2C(=O)[C@H]3CC[C@]2(C)C3(C)C)[n-]c(=S)n1	ZINC000006281447	181325605	/nfs/dbraw/zinc/32/56/05/181325605.db2.gz	FQMQIQCRUPFDGN-LYSGOOTNSA-N	-1	3	308.472	3.560	40	0		DHABHM
Cc1cccc(CN2CCC[C@H]2c2cccc(CCC(=O)[O-])n2)c1	ZINC000257292439	203017639	/nfs/dbraw/zinc/01/76/39/203017639.db2.gz	QLMFUQYVLVQYFH-IBGZPJMESA-N	-1	3	324.424	3.744	40	0		DHABHM
Cc1ccc(C)c(OCc2n[n-]c(=S)n2-c2ccccc2)c1	ZINC000038536732	183001612	/nfs/dbraw/zinc/00/16/12/183001612.db2.gz	HYRWFPRGIJJMTD-UHFFFAOYSA-N	-1	3	311.410	3.752	40	0		DHABHM
Clc1ccc([N-]c2nnc(-c3ccc4c(c3)OCO4)o2)cc1	ZINC000001573469	563285679	/nfs/dbraw/zinc/28/56/79/563285679.db2.gz	CLHNRFAGXJYUJA-UHFFFAOYSA-N	-1	3	315.716	3.862	40	0		DHABHM
CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1	ZINC000001683556	563291095	/nfs/dbraw/zinc/29/10/95/563291095.db2.gz	YORHCBXZICATAP-UHFFFAOYSA-N	-1	3	318.442	3.757	40	0		DHABHM
O=C([N-]c1ccc(F)cc1F)c1snnc1-c1ccccc1	ZINC000225759502	563762194	/nfs/dbraw/zinc/76/21/94/563762194.db2.gz	OXOCSLRLFMIEPZ-UHFFFAOYSA-N	-1	3	317.320	3.736	40	0		DHABHM
C[C@H]1C[C@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)CC(C)(C)C1	ZINC000255189408	1019337403	/nfs/dbraw/zinc/33/74/03/1019337403.db2.gz	PQDWJCQALFHMLQ-YUMQZZPRSA-N	-1	3	304.221	3.661	40	0		DHABHM
O=C([O-])c1oc2ccc(Br)cc2c1OCC1CC1	ZINC000096510846	193674272	/nfs/dbraw/zinc/67/42/72/193674272.db2.gz	RQORCWAUMFGJQC-UHFFFAOYSA-N	-1	3	311.131	3.682	40	0		DHABHM
CC(C)(CO)Nc1cc(-c2ccccc2[O-])nc2ccccc21	ZINC000059804031	184141149	/nfs/dbraw/zinc/14/11/49/184141149.db2.gz	JSLJFLJYEIPVEN-UHFFFAOYSA-N	-1	3	308.381	3.790	40	0		DHABHM
Cc1ccc(Cl)cc1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000339200493	524756130	/nfs/dbraw/zinc/75/61/30/524756130.db2.gz	IMCZVAVDXNKANH-UHFFFAOYSA-N	-1	3	312.756	3.742	40	0		DHABHM
Cc1ccc(Cl)cc1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000339200493	524756141	/nfs/dbraw/zinc/75/61/41/524756141.db2.gz	IMCZVAVDXNKANH-UHFFFAOYSA-N	-1	3	312.756	3.742	40	0		DHABHM
COc1ccc(NC(=S)Nc2cc(Cl)ccc2[O-])cc1	ZINC000243224965	563916928	/nfs/dbraw/zinc/91/69/28/563916928.db2.gz	KJOZIXXOZIQKNH-UHFFFAOYSA-N	-1	3	308.790	3.863	40	0		DHABHM
O=C([N-]c1nnc(-c2ccccc2)o1)c1cc2ccccc2o1	ZINC000007613813	563641096	/nfs/dbraw/zinc/64/10/96/563641096.db2.gz	LJTNLJXAVNVMTM-UHFFFAOYSA-N	-1	3	305.293	3.735	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C	ZINC000096659198	185384958	/nfs/dbraw/zinc/38/49/58/185384958.db2.gz	GLQSNYHQIYREJT-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1F	ZINC000096659475	185384974	/nfs/dbraw/zinc/38/49/74/185384974.db2.gz	AASGANPZEDLIOV-UHFFFAOYSA-N	-1	3	313.781	3.897	40	0		DHABHM
COc1cc(C(=O)O[C@H]2C[C@H]3C[C@]2(C)CC3(C)C)ccc1[O-]	ZINC000004027345	181064727	/nfs/dbraw/zinc/06/47/27/181064727.db2.gz	UYRQNTGJUQGOJG-XLWVJDPXSA-N	-1	3	304.386	3.772	40	0		DHABHM
O=S(=O)([N-]Cc1cccs1)c1ccc(Cl)cc1Cl	ZINC000016780660	182060979	/nfs/dbraw/zinc/06/09/79/182060979.db2.gz	WMLNOTKEACHRQC-UHFFFAOYSA-N	-1	3	322.238	3.533	40	0		DHABHM
c1ccc(C(c2nnn[n-]2)(c2ccccc2)c2ccccc2)cc1	ZINC000021999837	182302812	/nfs/dbraw/zinc/30/28/12/182302812.db2.gz	ABPZRLQZVHPPCT-UHFFFAOYSA-N	-1	3	312.376	3.582	40	0		DHABHM
CSc1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000022233980	182314279	/nfs/dbraw/zinc/31/42/79/182314279.db2.gz	AZXTVRZCCHGDEA-UHFFFAOYSA-N	-1	3	310.378	3.502	40	0		DHABHM
CSc1ccccc1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000022233980	182314280	/nfs/dbraw/zinc/31/42/80/182314280.db2.gz	AZXTVRZCCHGDEA-UHFFFAOYSA-N	-1	3	310.378	3.502	40	0		DHABHM
O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1ccccc1[O-]	ZINC000000341538	563607574	/nfs/dbraw/zinc/60/75/74/563607574.db2.gz	BWXLFSRXCQFBDH-UHFFFAOYSA-N	-1	3	323.735	3.999	40	0		DHABHM
O=c1nc(-c2cccs2)[n-]c2sc3c(c21)CCCCC3	ZINC000003100286	563635970	/nfs/dbraw/zinc/63/59/70/563635970.db2.gz	BRAAWRTXPWUHQQ-UHFFFAOYSA-N	-1	3	302.424	3.982	40	0		DHABHM
O=C1Nc2ccc(Br)cc2/C1=C/c1cccc([O-])c1	ZINC000004303215	181095221	/nfs/dbraw/zinc/09/52/21/181095221.db2.gz	NZUIGTVBIDBOQT-QPEQYQDCSA-N	-1	3	316.154	3.647	40	0		DHABHM
Cc1cccc(-c2nc(CO[C@@H]3CCCC[C@H]3C)no2)c1[O-]	ZINC000333111030	336198086	/nfs/dbraw/zinc/19/80/86/336198086.db2.gz	XOOQNRKCQDLWGW-BXUZGUMPSA-N	-1	3	302.374	3.846	40	0		DHABHM
[O-]c1ccc(-c2nnc(SCc3ccccc3F)o2)cc1	ZINC000000416836	563252868	/nfs/dbraw/zinc/25/28/68/563252868.db2.gz	SQXFHJAQVMSNSK-UHFFFAOYSA-N	-1	3	302.330	3.874	40	0		DHABHM
[O-]C(C[C@H](O)c1ccccc1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000001637023	563288523	/nfs/dbraw/zinc/28/85/23/563288523.db2.gz	ZGRPQOKXVFKJQN-QMMMGPOBSA-N	-1	3	321.097	3.504	40	0		DHABHM
[O-]c1csc(C(=Cc2ccccc2)c2nc3ccccc3[nH]2)n1	ZINC000012948822	563375576	/nfs/dbraw/zinc/37/55/76/563375576.db2.gz	NNMKULLTADOZFY-JLHYYAGUSA-N	-1	3	319.389	3.775	40	0		DHABHM
Cc1cccc(-n2c(CNc3ccc(F)cc3)n[n-]c2=S)c1	ZINC000013534694	563840136	/nfs/dbraw/zinc/84/01/36/563840136.db2.gz	GEXLITNAZRMLHQ-UHFFFAOYSA-N	-1	3	314.389	3.616	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)c1C	ZINC000225670566	186288170	/nfs/dbraw/zinc/28/81/70/186288170.db2.gz	HNHCYMQGYNUBCP-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
CCOC(=O)C(=C([O-])c1ccccc1)C1SCCCCS1	ZINC000005473259	181247647	/nfs/dbraw/zinc/24/76/47/181247647.db2.gz	UAIAMYMZRKKLRB-ZDUSSCGKSA-N	-1	3	324.467	3.635	40	0		DHABHM
CCCCc1c([O-])nc(-c2ccccc2Br)oc1=O	ZINC000016639531	182054946	/nfs/dbraw/zinc/05/49/46/182054946.db2.gz	FPVJLPAHIOTBRC-UHFFFAOYSA-N	-1	3	324.174	3.513	40	0		DHABHM
O=C1OC(c2ccccc2)=N/C1=C\c1c([O-])ccc2ccccc21	ZINC000022001497	182303017	/nfs/dbraw/zinc/30/30/17/182303017.db2.gz	ROBNYAKIJZGSBC-ATVHPVEESA-N	-1	3	315.328	3.890	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2)cc1C(C)C	ZINC000059233460	184136051	/nfs/dbraw/zinc/13/60/51/184136051.db2.gz	WHSBTIFERGJYBQ-UHFFFAOYSA-N	-1	3	319.426	3.928	40	0		DHABHM
CC(C)N1C(=O)S/C(=C\c2c([O-])ccc3ccccc32)C1=O	ZINC000409018923	257224151	/nfs/dbraw/zinc/22/41/51/257224151.db2.gz	XBHVQDBGGLRTMY-DHDCSXOGSA-N	-1	3	313.378	3.990	40	0		DHABHM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)S1	ZINC000034857615	563265577	/nfs/dbraw/zinc/26/55/77/563265577.db2.gz	FWEPNYNOKOHTNJ-SDQBBNPISA-N	-1	3	307.277	3.549	40	0		DHABHM
[O-]c1ccccc1-c1n(O)c2c([n+]1[O-])-c1cccc3cccc-2c13	ZINC000006927175	563335279	/nfs/dbraw/zinc/33/52/79/563335279.db2.gz	ULGMFDMMENKXER-UHFFFAOYSA-N	-1	3	316.316	3.532	40	0		DHABHM
Nc1nc(-c2ccccc2)c(CCCCc2ccccc2)c(=O)[n-]1	ZINC000008618657	563348733	/nfs/dbraw/zinc/34/87/33/563348733.db2.gz	KVZVAMURNMSRSV-UHFFFAOYSA-N	-1	3	319.408	3.585	40	0		DHABHM
CCCCSc1[n-]c(=O)nnc1SCc1ccccc1	ZINC000017431020	563414803	/nfs/dbraw/zinc/41/48/03/563414803.db2.gz	CDPWEKFMAGUZJW-UHFFFAOYSA-N	-1	3	307.444	3.762	40	0		DHABHM
COc1cccc2cc(C(=O)[N-]c3c(F)cccc3F)oc21	ZINC000073742559	563458936	/nfs/dbraw/zinc/45/89/36/563458936.db2.gz	YQPKMEMUPISUSJ-UHFFFAOYSA-N	-1	3	303.264	3.972	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)c1	ZINC000096659251	185384950	/nfs/dbraw/zinc/38/49/50/185384950.db2.gz	CIBZNRLNHNRVMD-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
CCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C	ZINC000096659259	185385158	/nfs/dbraw/zinc/38/51/58/185385158.db2.gz	GDRAEADUYDOEHQ-UHFFFAOYSA-N	-1	3	319.426	3.675	40	0		DHABHM
O=C([N-]c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1F	ZINC000020029711	182181524	/nfs/dbraw/zinc/18/15/24/182181524.db2.gz	YOLYVZFAYQCDEC-UHFFFAOYSA-N	-1	3	305.177	3.774	40	0		DHABHM
Cc1c(Cl)cccc1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000339204179	525776516	/nfs/dbraw/zinc/77/65/16/525776516.db2.gz	KVPUXNYQVBAPQS-UHFFFAOYSA-N	-1	3	312.756	3.742	40	0		DHABHM
Cc1c(Cl)cccc1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000339204179	525776525	/nfs/dbraw/zinc/77/65/25/525776525.db2.gz	KVPUXNYQVBAPQS-UHFFFAOYSA-N	-1	3	312.756	3.742	40	0		DHABHM
O=S(=O)([N-]c1cc(F)ccc1F)c1ccc2ccccc2c1	ZINC000014254763	563399635	/nfs/dbraw/zinc/39/96/35/563399635.db2.gz	MMWJPSQTVXVBIR-UHFFFAOYSA-N	-1	3	319.332	3.919	40	0		DHABHM
COCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1	ZINC000026547267	563425754	/nfs/dbraw/zinc/42/57/54/563425754.db2.gz	QXWLINQGXWQBEA-UHFFFAOYSA-N	-1	3	319.426	3.559	40	0		DHABHM
CC(C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1	ZINC000032649764	563769715	/nfs/dbraw/zinc/76/97/15/563769715.db2.gz	LMUSXECLHXJHAE-UHFFFAOYSA-N	-1	3	306.365	3.904	40	0		DHABHM
CC(C)c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1	ZINC000032649764	563769717	/nfs/dbraw/zinc/76/97/17/563769717.db2.gz	LMUSXECLHXJHAE-UHFFFAOYSA-N	-1	3	306.365	3.904	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C	ZINC000032586613	1022367256	/nfs/dbraw/zinc/36/72/56/1022367256.db2.gz	DIODIFSEPTYTMI-UHFFFAOYSA-N	-1	3	319.426	3.811	40	0		DHABHM
C[C@@H]1C[C@H](C)[C@@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)C[C@H]1C	ZINC000255188727	1026267547	/nfs/dbraw/zinc/26/75/47/1026267547.db2.gz	LEILTLAATFEQFY-HXFLIBJXSA-N	-1	3	304.221	3.517	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)c1	ZINC000096659203	185384956	/nfs/dbraw/zinc/38/49/56/185384956.db2.gz	ZMGNMTQLLBBYKF-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000096659286	185385177	/nfs/dbraw/zinc/38/51/77/185385177.db2.gz	BDPORVABNXNWSW-UHFFFAOYSA-N	-1	3	307.390	3.806	40	0		DHABHM
CC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000006263624	181323907	/nfs/dbraw/zinc/32/39/07/181323907.db2.gz	GSVGUDMQCRIRNZ-UHFFFAOYSA-N	-1	3	322.257	3.850	40	0		DHABHM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000045866125	563465234	/nfs/dbraw/zinc/46/52/34/563465234.db2.gz	LBUOTTBSOFQCMX-UHFFFAOYSA-N	-1	3	313.781	3.897	40	0		DHABHM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1	ZINC000071977282	563501538	/nfs/dbraw/zinc/50/15/38/563501538.db2.gz	UPIFPGFWCWYQRT-UHFFFAOYSA-N	-1	3	319.426	3.891	40	0		DHABHM
CN1CC([O-])=C(c2ccccc2Oc2ccc(Cl)cc2)C1=O	ZINC000100038176	563545000	/nfs/dbraw/zinc/54/50/00/563545000.db2.gz	KVJWENUOONPUIS-UHFFFAOYSA-N	-1	3	315.756	3.873	40	0	in-vitro	DHABHM
Cc1c(C(=O)[O-])oc2ccc(Br)c(OC(C)C)c12	ZINC000085395663	563569263	/nfs/dbraw/zinc/56/92/63/563569263.db2.gz	PVPPTWCCGLSPSO-UHFFFAOYSA-N	-1	3	313.147	3.989	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)c1C	ZINC000223861457	563737247	/nfs/dbraw/zinc/73/72/47/563737247.db2.gz	DCEIEBLFTGTWSI-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
O=C([N-]c1ccc(F)cc1F)c1snnc1-c1cccs1	ZINC000225788576	563763535	/nfs/dbraw/zinc/76/35/35/563763535.db2.gz	MZIIJYPSAJTKAN-UHFFFAOYSA-N	-1	3	323.349	3.797	40	0		DHABHM
Cc1ccccc1CN1CCC[C@@H]1c1cccc(CCC(=O)[O-])n1	ZINC000257242353	563791759	/nfs/dbraw/zinc/79/17/59/563791759.db2.gz	ICBLUNVWNLNJIN-LJQANCHMSA-N	-1	3	324.424	3.744	40	0		DHABHM
[O-]n1c2c([n+]([O-])c1-c1cccs1)-c1cccc3cccc-2c13	ZINC000006528431	181350809	/nfs/dbraw/zinc/35/08/09/181350809.db2.gz	LLUVRYKMWCTYCA-UHFFFAOYSA-N	-1	3	306.346	3.888	40	0		DHABHM
CCc1nc2nc(-c3ccccc3[O-])cc(-c3ccccc3)n2n1	ZINC000020635861	182240076	/nfs/dbraw/zinc/24/00/76/182240076.db2.gz	LJPCOHIVBYNYIV-UHFFFAOYSA-N	-1	3	316.364	3.726	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)c1C	ZINC000117227376	194804665	/nfs/dbraw/zinc/80/46/65/194804665.db2.gz	VJWZEJNQEKNZQZ-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
O=C(Nc1cc(Cl)ccc1[O-])c1noc2c1CCCCC2	ZINC000000426558	563252879	/nfs/dbraw/zinc/25/28/79/563252879.db2.gz	QIWFBKAYJNXAMY-UHFFFAOYSA-N	-1	3	306.749	3.555	40	0		DHABHM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(CC)c1	ZINC000113971105	563586840	/nfs/dbraw/zinc/58/68/40/563586840.db2.gz	SOHWWJQAVGJOGM-UHFFFAOYSA-N	-1	3	319.426	3.621	40	0		DHABHM
CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC)c2)cc1	ZINC000113971431	563587112	/nfs/dbraw/zinc/58/71/12/563587112.db2.gz	DQGNXVJNHGRQPO-UHFFFAOYSA-N	-1	3	319.426	3.621	40	0		DHABHM
O=Cc1cc(-c2cc(Br)cc([N+](=O)[O-])c2)ccc1[O-]	ZINC000096312888	563891671	/nfs/dbraw/zinc/89/16/71/563891671.db2.gz	NZPIOQGQVYWJMF-UHFFFAOYSA-N	-1	3	322.114	3.542	40	0		DHABHM
C[C@@H]1C[C@H](C)[C@H](NC(=O)c2nc(Cl)c(Cl)[n-]2)C[C@@H]1C	ZINC000255188729	1026267455	/nfs/dbraw/zinc/26/74/55/1026267455.db2.gz	LEILTLAATFEQFY-RYPBNFRJSA-N	-1	3	304.221	3.517	40	0		DHABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1F	ZINC000096659487	185385160	/nfs/dbraw/zinc/38/51/60/185385160.db2.gz	SEDWIUDGJXPELM-UHFFFAOYSA-N	-1	3	313.781	3.897	40	0		DHABHM
[O-]C(C[C@@H](O)c1ccccc1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000003607962	181040235	/nfs/dbraw/zinc/04/02/35/181040235.db2.gz	ZGRPQOKXVFKJQN-MRVPVSSYSA-N	-1	3	321.097	3.504	40	0		DHABHM
FC(F)(F)Oc1cc2[n-]c(Cl)nc2c(Br)c1	ZINC000258839561	203070807	/nfs/dbraw/zinc/07/08/07/203070807.db2.gz	VVCBOESPZYLLRB-UHFFFAOYSA-N	-1	3	315.476	3.877	40	0		DHABHM
CCc1cccc(C)c1NC(=O)c1c[n-]c2ccccc2c1=O	ZINC000022233897	182314553	/nfs/dbraw/zinc/31/45/53/182314553.db2.gz	NOTRQGAPPYUOGA-UHFFFAOYSA-N	-1	3	306.365	3.651	40	0		DHABHM
CCc1cccc(C)c1NC(=O)c1cnc2ccccc2c1[O-]	ZINC000022233897	182314554	/nfs/dbraw/zinc/31/45/54/182314554.db2.gz	NOTRQGAPPYUOGA-UHFFFAOYSA-N	-1	3	306.365	3.651	40	0		DHABHM
COc1cc(C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)ccc1[O-]	ZINC000012384199	563368170	/nfs/dbraw/zinc/36/81/70/563368170.db2.gz	KTOAGBIQQPGNIR-XLWVJDPXSA-N	-1	3	304.386	3.772	40	0		DHABHM
CCCCC(C(=O)C(C)C)=C([O-])C(=O)Nc1ccc(C)cc1C	ZINC000025574785	563423356	/nfs/dbraw/zinc/42/33/56/563423356.db2.gz	VWDXFLXWWZRUOG-OAHLLOKOSA-N	-1	3	317.429	3.843	40	0		DHABHM
Cc1cc(C)c(NC(=O)c2c[n-]c3ccccc3c2=O)c(C)c1	ZINC000113735783	563657358	/nfs/dbraw/zinc/65/73/58/563657358.db2.gz	QCEFQHMQTSYJLO-UHFFFAOYSA-N	-1	3	306.365	3.706	40	0		DHABHM
Cc1cc(C)c(NC(=O)c2cnc3ccccc3c2[O-])c(C)c1	ZINC000113735783	563657360	/nfs/dbraw/zinc/65/73/60/563657360.db2.gz	QCEFQHMQTSYJLO-UHFFFAOYSA-N	-1	3	306.365	3.706	40	0		DHABHM
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc([O-])cc1	ZINC000222397266	563691141	/nfs/dbraw/zinc/69/11/41/563691141.db2.gz	SHVSGLOUQAYEIK-QPEQYQDCSA-N	-1	3	305.255	3.904	40	0		DHABHM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C	ZINC000096659208	185385079	/nfs/dbraw/zinc/38/50/79/185385079.db2.gz	CKHBOWBMEZWFAN-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000005873663	181292709	/nfs/dbraw/zinc/29/27/09/181292709.db2.gz	YIGDHXYOSZKHNH-UHFFFAOYSA-N	-1	3	305.399	3.503	40	0		DHABHM
O=C(Nc1ccc(F)c(Cl)c1)c1c[n-]c2ccccc2c1=O	ZINC000022233918	182314468	/nfs/dbraw/zinc/31/44/68/182314468.db2.gz	QHVZVTZKRNVFEM-UHFFFAOYSA-N	-1	3	316.719	3.573	40	0		DHABHM
O=C(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2c1[O-]	ZINC000022233918	182314470	/nfs/dbraw/zinc/31/44/70/182314470.db2.gz	QHVZVTZKRNVFEM-UHFFFAOYSA-N	-1	3	316.719	3.573	40	0		DHABHM
Cc1cc2nc(-c3cc(N)ccc3[O-])oc2c(Br)c1	ZINC000040542285	183098433	/nfs/dbraw/zinc/09/84/33/183098433.db2.gz	QTDNRNYJTRVJKY-UHFFFAOYSA-N	-1	3	319.158	3.854	40	0		DHABHM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C	ZINC000041091160	183164017	/nfs/dbraw/zinc/16/40/17/183164017.db2.gz	FLHXRXGQBFYPAA-UHFFFAOYSA-N	-1	3	313.781	3.897	40	0		DHABHM
[O-]c1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1	ZINC000000416831	563608339	/nfs/dbraw/zinc/60/83/39/563608339.db2.gz	SCTCWXYDNHZHAE-UHFFFAOYSA-N	-1	3	302.330	3.874	40	0		DHABHM
O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-]	ZINC000409411521	563627744	/nfs/dbraw/zinc/62/77/44/563627744.db2.gz	IIUQZBWHESOKAC-UHFFFAOYSA-N	-1	3	311.765	3.916	40	0		DHABHM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)S1	ZINC000013388280	563658255	/nfs/dbraw/zinc/65/82/55/563658255.db2.gz	UKOAKDJZVZQHAH-GHXNOFRVSA-N	-1	3	305.742	3.924	40	0		DHABHM
COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)c1C	ZINC000224529391	563742722	/nfs/dbraw/zinc/74/27/22/563742722.db2.gz	GBNJFSFWSSATML-UHFFFAOYSA-N	-1	3	319.426	3.730	40	0		DHABHM
O=C(NCCCc1ccccc1)c1ccc2[n-]c(Cl)nc2c1	ZINC000225977200	563767769	/nfs/dbraw/zinc/76/77/69/563767769.db2.gz	XUOOHIPRXZQAFW-UHFFFAOYSA-N	-1	3	313.788	3.579	40	0		DHABHM
O=Cc1cc(-c2ccc(Br)c(F)c2F)ccc1[O-]	ZINC000096312887	563891738	/nfs/dbraw/zinc/89/17/38/563891738.db2.gz	AZDDSQZTZBNQKE-UHFFFAOYSA-N	-1	3	313.097	3.912	40	0		DHABHM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C	ZINC000032585467	563922986	/nfs/dbraw/zinc/92/29/86/563922986.db2.gz	HVFXWWCCXOIUCR-UHFFFAOYSA-N	-1	3	305.399	3.503	40	0		DHABHM