smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1C=C([O-])c1ccc(Cl)cc1	ZINC000004821940	204079990	/nfs/dbraw/zinc/07/99/90/204079990.db2.gz	GOKCNDNJXFPRGN-GHXNOFRVSA-N	-1	1	388.723	3.287	10	30		GGEEMM
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3[O-])sc2C1	ZINC000005902569	204157116	/nfs/dbraw/zinc/15/71/16/204157116.db2.gz	FNHZLOATHWWYPT-ZANVPECISA-N	-1	1	390.534	3.056	10	30		GGEEMM
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@H]1c1cccnc1	ZINC000021729463	518971728	/nfs/dbraw/zinc/97/17/28/518971728.db2.gz	JLXZFBZZQLHNST-HNNXBMFYSA-N	-1	1	398.488	3.228	10	30		GGEEMM
C=CCn1c2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2sc1=O	ZINC000046017771	519262767	/nfs/dbraw/zinc/26/27/67/519262767.db2.gz	WXFHCZQGXFLIDD-UHFFFAOYSA-N	-1	1	378.450	3.497	10	30		GGEEMM
C=CCn1c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2sc1=O	ZINC000046017774	519262832	/nfs/dbraw/zinc/26/28/32/519262832.db2.gz	BZLZGIKHQVECOF-UHFFFAOYSA-N	-1	1	378.450	3.497	10	30		GGEEMM
CCc1ccc(C([O-])=Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000013284086	523876897	/nfs/dbraw/zinc/87/68/97/523876897.db2.gz	XPESRYAVLYYDGI-NTEUORMPSA-N	-1	1	382.332	3.196	10	30		GGEEMM
Cc1ccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)[n-]2)o1	ZINC000020407289	525964077	/nfs/dbraw/zinc/96/40/77/525964077.db2.gz	MHADNOCOPAAQLI-FBCYGCLPSA-N	-1	1	392.391	3.161	10	30		GGEEMM
Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-]	ZINC000007141241	527529557	/nfs/dbraw/zinc/52/95/57/527529557.db2.gz	PVHHKNYFQPGGSN-KRXBUXKQSA-N	-1	1	382.401	3.476	10	30		GGEEMM
CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1	ZINC000055651522	564628313	/nfs/dbraw/zinc/62/83/13/564628313.db2.gz	SUEICDCDQHHBIF-UHFFFAOYSA-N	-1	1	377.853	3.151	10	30		GGEEMM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C2CC2)no1	ZINC000069128408	564833671	/nfs/dbraw/zinc/83/36/71/564833671.db2.gz	XPDQFIONPABFGP-CQSZACIVSA-N	-1	1	380.857	3.148	10	30		GGEEMM
N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000295644935	565278302	/nfs/dbraw/zinc/27/83/02/565278302.db2.gz	DSNQTMQOWGCHDV-IUCAKERBSA-N	-1	1	378.237	3.262	10	30		GGEEMM
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000408061277	565592904	/nfs/dbraw/zinc/59/29/04/565592904.db2.gz	VTINVBAVYFGMGX-WRWORJQWSA-N	-1	1	381.654	3.212	10	30		GGEEMM
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000408061269	565593503	/nfs/dbraw/zinc/59/35/03/565593503.db2.gz	VTINVBAVYFGMGX-CPCISQLKSA-N	-1	1	381.654	3.212	10	30		GGEEMM
Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1C#N	ZINC000320340520	565602281	/nfs/dbraw/zinc/60/22/81/565602281.db2.gz	JISZTYXYRROXBB-UHFFFAOYSA-N	-1	1	388.193	3.103	10	30		GGEEMM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000192129579	565661184	/nfs/dbraw/zinc/66/11/84/565661184.db2.gz	RVBALBGQSWGVMW-NSHDSACASA-N	-1	1	398.893	3.135	10	30		GGEEMM
N#CC1CCC(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CC1	ZINC000282721611	565793717	/nfs/dbraw/zinc/79/37/17/565793717.db2.gz	ZHCCJIGNTQTABK-UHFFFAOYSA-N	-1	1	392.706	3.106	10	30		GGEEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)s1	ZINC000176734341	565799449	/nfs/dbraw/zinc/79/94/49/565799449.db2.gz	KMSYTQGJTAVFFL-UHFFFAOYSA-N	-1	1	390.364	3.005	10	30		GGEEMM
N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F	ZINC000182873369	566227373	/nfs/dbraw/zinc/22/73/73/566227373.db2.gz	FODKAXFTVIVTAW-AWEZNQCLSA-N	-1	1	376.306	3.418	10	30		GGEEMM
C=CCOCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl	ZINC000672815701	566508434	/nfs/dbraw/zinc/50/84/34/566508434.db2.gz	YJTWGRITXWGGNO-UHFFFAOYSA-N	-1	1	389.098	3.237	10	30		GGEEMM
CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000467162213	566630060	/nfs/dbraw/zinc/63/00/60/566630060.db2.gz	YZVPUKQGJPOVSN-UHFFFAOYSA-N	-1	1	386.420	3.317	10	30		GGEEMM
O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1c(F)cccc1OC(F)(F)F	ZINC000515320005	566705012	/nfs/dbraw/zinc/70/50/12/566705012.db2.gz	CGNBTDCFRMTZBF-UHFFFAOYSA-N	-1	1	381.269	3.345	10	30		GGEEMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)sc1Cl	ZINC000564877789	567016451	/nfs/dbraw/zinc/01/64/51/567016451.db2.gz	NBBDTRNMGMLBEL-YUMQZZPRSA-N	-1	1	386.720	3.033	10	30		GGEEMM
Cc1cn2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc2n1	ZINC000432957514	567210089	/nfs/dbraw/zinc/21/00/89/567210089.db2.gz	CAOQHSIPRODTHP-UHFFFAOYSA-N	-1	1	391.250	3.078	10	30		GGEEMM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F	ZINC000433447776	567250485	/nfs/dbraw/zinc/25/04/85/567250485.db2.gz	QJEYKEGCDCLCEM-AWEZNQCLSA-N	-1	1	376.306	3.260	10	30		GGEEMM
N#Cc1ccsc1N1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1=O	ZINC000434792789	567329054	/nfs/dbraw/zinc/32/90/54/567329054.db2.gz	GDHIMAAYPSBGTE-MRVPVSSYSA-N	-1	1	386.380	3.032	10	30		GGEEMM
Cc1c([N-]S(=O)(=O)c2cccc(Br)c2C#N)[nH]nc1C(C)C	ZINC000593280803	567403953	/nfs/dbraw/zinc/40/39/53/567403953.db2.gz	MFUZYZCCANKWQY-UHFFFAOYSA-N	-1	1	383.271	3.277	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3Br)CCC2)o1	ZINC000593617235	567428516	/nfs/dbraw/zinc/42/85/16/567428516.db2.gz	SZPXUYYAHFTADS-UHFFFAOYSA-N	-1	1	381.251	3.271	10	30		GGEEMM
CCOc1cc(-c2noc(-c3cc(C#N)cn3C)n2)cc(Br)c1[O-]	ZINC000436889522	567464119	/nfs/dbraw/zinc/46/41/19/567464119.db2.gz	QQCARNNNFAIDGC-UHFFFAOYSA-N	-1	1	389.209	3.481	10	30		GGEEMM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1F	ZINC000594883745	567523834	/nfs/dbraw/zinc/52/38/34/567523834.db2.gz	GEYMNMYXISOZQJ-UHFFFAOYSA-N	-1	1	388.848	3.018	10	30		GGEEMM
COc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)ccc1F	ZINC000508069459	567725292	/nfs/dbraw/zinc/72/52/92/567725292.db2.gz	RGJNALWXDWMYQK-UHFFFAOYSA-N	-1	1	385.214	3.269	10	30		GGEEMM
N#CC1(CNC(=O)c2ccc(I)c([O-])c2)CCCCC1	ZINC000598310735	567755103	/nfs/dbraw/zinc/75/51/03/567755103.db2.gz	LLAMTCBFSQCJGH-UHFFFAOYSA-N	-1	1	384.217	3.201	10	30		GGEEMM
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000443417367	567756861	/nfs/dbraw/zinc/75/68/61/567756861.db2.gz	KXIROPFPEYFXNX-UHFFFAOYSA-N	-1	1	379.503	3.318	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1Cl	ZINC000555413813	567782639	/nfs/dbraw/zinc/78/26/39/567782639.db2.gz	KCBQAZSYBVDUPQ-SNVBAGLBSA-N	-1	1	381.788	3.250	10	30		GGEEMM
O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1	ZINC000048234419	570221012	/nfs/dbraw/zinc/22/10/12/570221012.db2.gz	ZPRFGISJWVEVRL-LLVKDONJSA-N	-1	1	399.348	3.032	10	30		GGEEMM
C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCC=C)[n-]c(=O)c21	ZINC000086057979	570733192	/nfs/dbraw/zinc/73/31/92/570733192.db2.gz	BETBHZDLSYOQHV-ZDUSSCGKSA-N	-1	1	399.472	3.096	10	30		GGEEMM
Cn1cnnc1Sc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-]	ZINC000096766236	1410336765	/nfs/dbraw/zinc/33/67/65/1410336765.db2.gz	PVHHKNYFQPGGSN-WAPJZHGLSA-N	-1	1	382.401	3.476	10	30		GGEEMM
Cc1ccc(C(=O)Nc2cccc(C=CC(=O)c3c([O-])cc(C)oc3=O)c2)cc1	ZINC000103337882	1410849918	/nfs/dbraw/zinc/84/99/18/1410849918.db2.gz	FBZAMKZCMVWLSZ-MAIVGLDJSA-N	-1	1	389.407	3.476	10	30		GGEEMM
Cc1ccsc1C=Nn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=NC1CC1	ZINC000254736637	1433871920	/nfs/dbraw/zinc/87/19/20/1433871920.db2.gz	QRYASXHLGPTEDN-UHFFFAOYSA-N	-1	1	398.513	3.336	10	30		GGEEMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OCCCC)CC(=O)N2	ZINC000086058044	206296900	/nfs/dbraw/zinc/29/69/00/206296900.db2.gz	SCROUIRTLNMTON-CQSZACIVSA-N	-1	1	383.473	3.148	10	30		GGEEMM
CCOCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2C1	ZINC000097117183	208337854	/nfs/dbraw/zinc/33/78/54/208337854.db2.gz	FUEAOYIQJOXRCP-UHFFFAOYSA-N	-1	1	385.489	3.101	10	30		GGEEMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCCCC)cc1)CC(=O)N2	ZINC000021784580	518337605	/nfs/dbraw/zinc/33/76/05/518337605.db2.gz	GIWCAIHCRXNHNP-HNNXBMFYSA-N	-1	1	383.473	3.148	10	30		GGEEMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N=Cc3ccc([N+](=O)[O-])o3)cc2)[nH]1	ZINC000103601379	520882957	/nfs/dbraw/zinc/88/29/57/520882957.db2.gz	OMGCSBBTZWLFTJ-HPAYWCODSA-N	-1	1	388.405	3.169	10	30		GGEEMM
CCOC(=O)CSc1nnc(NN=C(C)c2ccc(Br)cc2)[n-]1	ZINC000020167742	564305341	/nfs/dbraw/zinc/30/53/41/564305341.db2.gz	JRUWHPTYZNKTHV-RQZCQDPDSA-N	-1	1	398.286	3.059	10	30		GGEEMM
CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000055611212	564626763	/nfs/dbraw/zinc/62/67/63/564626763.db2.gz	QQTSZISWBHLWMK-UHFFFAOYSA-N	-1	1	377.853	3.071	10	30		GGEEMM
COCCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000055632614	564627029	/nfs/dbraw/zinc/62/70/29/564627029.db2.gz	WKVDGKPITYCUPB-UHFFFAOYSA-N	-1	1	380.853	3.175	10	30		GGEEMM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl	ZINC000057125268	564660517	/nfs/dbraw/zinc/66/05/17/564660517.db2.gz	BFQKAPAABDXLHQ-UHFFFAOYSA-N	-1	1	398.271	3.368	10	30		GGEEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc12	ZINC000093909318	564892988	/nfs/dbraw/zinc/89/29/88/564892988.db2.gz	NYVSMJHXNXGTPV-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc12	ZINC000093909318	564892996	/nfs/dbraw/zinc/89/29/96/564892996.db2.gz	NYVSMJHXNXGTPV-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)cn1	ZINC000153479433	564997274	/nfs/dbraw/zinc/99/72/74/564997274.db2.gz	HVDCCBFEBBVRRJ-ZDUSSCGKSA-N	-1	1	375.759	3.189	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)cn1	ZINC000153479499	564997466	/nfs/dbraw/zinc/99/74/66/564997466.db2.gz	HVDCCBFEBBVRRJ-CYBMUJFWSA-N	-1	1	375.759	3.189	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)ccc1Cl	ZINC000158246980	565162319	/nfs/dbraw/zinc/16/23/19/565162319.db2.gz	NNWYIRKXUMMMGZ-HNNXBMFYSA-N	-1	1	378.837	3.180	10	30		GGEEMM
C=CCOCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl	ZINC000301762438	565509123	/nfs/dbraw/zinc/50/91/23/565509123.db2.gz	RJTAKULPYKGDSL-UHFFFAOYSA-N	-1	1	389.098	3.237	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)ccc1Cl	ZINC000194138331	565796925	/nfs/dbraw/zinc/79/69/25/565796925.db2.gz	GIDDOTDYENEVGE-UHFFFAOYSA-N	-1	1	375.837	3.361	10	30		GGEEMM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F	ZINC000178810525	565939080	/nfs/dbraw/zinc/93/90/80/565939080.db2.gz	NBUOQOBAFXTZSP-UHFFFAOYSA-N	-1	1	385.214	3.269	10	30		GGEEMM
COc1cc(-c2noc(-c3cc(C#N)cn3C)n2)cc(Br)c1[O-]	ZINC000445396808	566288586	/nfs/dbraw/zinc/28/85/86/566288586.db2.gz	ZBRHDTMEMFFVMV-UHFFFAOYSA-N	-1	1	375.182	3.090	10	30		GGEEMM
CCc1[n-][nH]c(=NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1Br	ZINC000448319074	566467923	/nfs/dbraw/zinc/46/79/23/566467923.db2.gz	PMVZYOZNOQNMEO-HNNXBMFYSA-N	-1	1	391.269	3.070	10	30		GGEEMM
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2ncsc2c1	ZINC000485952503	566542944	/nfs/dbraw/zinc/54/29/44/566542944.db2.gz	BIIKYWIWUHMGJT-SECBINFHSA-N	-1	1	379.413	3.486	10	30		GGEEMM
Cc1ncc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1C#N	ZINC000562373934	566784620	/nfs/dbraw/zinc/78/46/20/566784620.db2.gz	IRDYXUIFAGUCFR-UHFFFAOYSA-N	-1	1	377.853	3.429	10	30		GGEEMM
Cc1ncc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1C#N	ZINC000427771322	566795680	/nfs/dbraw/zinc/79/56/80/566795680.db2.gz	PGJXBMWUFGOSPS-UHFFFAOYSA-N	-1	1	388.193	3.103	10	30		GGEEMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2(F)CCC2)cc1Br	ZINC000451552017	566837216	/nfs/dbraw/zinc/83/72/16/566837216.db2.gz	MESHTCVJNPBLIU-UHFFFAOYSA-N	-1	1	379.226	3.020	10	30		GGEEMM
N#Cc1cncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)c1	ZINC000563573668	566896956	/nfs/dbraw/zinc/89/69/56/566896956.db2.gz	QPBUCJOTKWEOTQ-CYBMUJFWSA-N	-1	1	375.759	3.189	10	30		GGEEMM
CCCN(CCC)S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000543911303	566921084	/nfs/dbraw/zinc/92/10/84/566921084.db2.gz	CRTCRANACWECLS-UHFFFAOYSA-N	-1	1	381.889	3.176	10	30		GGEEMM
C=CCOCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000657147799	567023145	/nfs/dbraw/zinc/02/31/45/567023145.db2.gz	IXFGRKIAFJMTLK-UHFFFAOYSA-N	-1	1	386.670	3.113	10	30		GGEEMM
N#CCc1ccnc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1	ZINC000566048255	567121411	/nfs/dbraw/zinc/12/14/11/567121411.db2.gz	XAKFJRKNGIDYAA-UHFFFAOYSA-N	-1	1	383.205	3.004	10	30		GGEEMM
COC(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Br	ZINC000614882697	567145658	/nfs/dbraw/zinc/14/56/58/567145658.db2.gz	PYAOPKXMUOZCDG-UHFFFAOYSA-N	-1	1	375.178	3.065	10	30		GGEEMM
N#C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1ccc(F)cc1	ZINC000546877150	567167218	/nfs/dbraw/zinc/16/72/18/567167218.db2.gz	PBIZDWASXFZRLP-CYBMUJFWSA-N	-1	1	396.159	3.131	10	30		GGEEMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)CC(F)F	ZINC000592067509	567313015	/nfs/dbraw/zinc/31/30/15/567313015.db2.gz	RJIFZUKFJVBSCG-SSDOTTSWSA-N	-1	1	385.205	3.029	10	30		GGEEMM
C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1	ZINC000593203018	567397089	/nfs/dbraw/zinc/39/70/89/567397089.db2.gz	DLMNHVFDABEUAW-XMMPIXPASA-N	-1	1	376.503	3.167	10	30		GGEEMM
C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593210799	567397688	/nfs/dbraw/zinc/39/76/88/567397688.db2.gz	NAMKQGJHCRZEOW-DEOSSOPVSA-N	-1	1	376.503	3.167	10	30		GGEEMM
Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br	ZINC000593280198	567403336	/nfs/dbraw/zinc/40/33/36/567403336.db2.gz	GGYLGPHPAZMURK-UHFFFAOYSA-N	-1	1	383.271	3.083	10	30		GGEEMM
COC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(C(F)(F)F)c1	ZINC000593546856	567424036	/nfs/dbraw/zinc/42/40/36/567424036.db2.gz	LFCLIHVDDPTASC-GFCCVEGCSA-N	-1	1	390.408	3.305	10	30		GGEEMM
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1	ZINC000528547073	567435491	/nfs/dbraw/zinc/43/54/91/567435491.db2.gz	MNHPEJWMTYFNNT-AWEZNQCLSA-N	-1	1	388.276	3.039	10	30		GGEEMM
C=CCN(CC(F)(F)F)C(=O)c1cc(I)ccc1[O-]	ZINC000436669760	567441791	/nfs/dbraw/zinc/44/17/91/567441791.db2.gz	NLZLRYQLJOSFMK-UHFFFAOYSA-N	-1	1	385.123	3.187	10	30		GGEEMM
N#CC1CCC(CNC(=O)c2cc(I)ccc2[O-])CC1	ZINC000442976088	567722031	/nfs/dbraw/zinc/72/20/31/567722031.db2.gz	WBQJAXYXIUUIBA-UHFFFAOYSA-N	-1	1	384.217	3.057	10	30		GGEEMM
N#CC1CCC(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CC1	ZINC000443230001	567742419	/nfs/dbraw/zinc/74/24/19/567742419.db2.gz	ZKIDJLVFEHLONL-UHFFFAOYSA-N	-1	1	393.253	3.336	10	30		GGEEMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2	ZINC000006002249	570464071	/nfs/dbraw/zinc/46/40/71/570464071.db2.gz	JAYZOGUEWXGPNN-HNNXBMFYSA-N	-1	1	383.473	3.455	10	30		GGEEMM
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc21	ZINC000065021293	570647919	/nfs/dbraw/zinc/64/79/19/570647919.db2.gz	PICVFZFYQDGYQF-UHFFFAOYSA-N	-1	1	395.484	3.393	10	30		GGEEMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC(C)C	ZINC000024497014	1399637432	/nfs/dbraw/zinc/63/74/32/1399637432.db2.gz	QNUJBTGCUVVXAZ-FUTAKVPZSA-N	-1	1	378.808	3.364	10	30		GGEEMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC(C)C	ZINC000105640451	1411094246	/nfs/dbraw/zinc/09/42/46/1411094246.db2.gz	QNUJBTGCUVVXAZ-OSJSJHBBSA-N	-1	1	378.808	3.364	10	30		GGEEMM
Cc1ccc(C(=O)Nc2cccc(C=CC(=O)c3c([O-])cc(C)oc3=O)c2)cc1	ZINC000105639834	1411094603	/nfs/dbraw/zinc/09/46/03/1411094603.db2.gz	FBZAMKZCMVWLSZ-OMCJBDSBSA-N	-1	1	389.407	3.476	10	30		GGEEMM
CCN=c1scc(-c2ccc([O-])c(C(N)=O)c2)n1N=Cc1sccc1C	ZINC000254812511	1433872048	/nfs/dbraw/zinc/87/20/48/1433872048.db2.gz	JDWRJZUFOVWQET-UHFFFAOYSA-N	-1	1	386.502	3.194	10	30		GGEEMM
C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCC=C)[n-]c(=O)c21	ZINC000086057983	209234132	/nfs/dbraw/zinc/23/41/32/209234132.db2.gz	BETBHZDLSYOQHV-CYBMUJFWSA-N	-1	1	399.472	3.096	10	30		GGEEMM
C=CCN1C(=O)C(=Cc2ccn(-c3ccc([N+](=O)[O-])cc3)c2)C(=O)[N-]C1=S	ZINC000001187045	209169405	/nfs/dbraw/zinc/16/94/05/209169405.db2.gz	NFTWLYKSDHBKFF-XNTDXEJSSA-N	-1	1	382.401	3.039	10	30		GGEEMM
C=CCN1C(=O)C(=Cc2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)[N-]C1=S	ZINC000001168432	209168296	/nfs/dbraw/zinc/16/82/96/209168296.db2.gz	IDHGGZZAWDLFTK-OQLLNIDSSA-N	-1	1	382.401	3.039	10	30		GGEEMM
C#CCOc1ccc(Br)cc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000006130396	209143355	/nfs/dbraw/zinc/14/33/55/209143355.db2.gz	GBVAIUVXPTUCQE-MDWZMJQESA-N	-1	1	394.250	3.105	10	30		GGEEMM
C#CCOc1ccc(Br)cc1C=C(Sc1n[nH]c(C)n1)C(=O)[O-]	ZINC000006130396	209143358	/nfs/dbraw/zinc/14/33/58/209143358.db2.gz	GBVAIUVXPTUCQE-MDWZMJQESA-N	-1	1	394.250	3.105	10	30		GGEEMM
CCOC(=O)C1=C(NC(=O)C2(C#N)CCOCC2)[N-]c2ccccc2N=C1C	ZINC000089978392	211187324	/nfs/dbraw/zinc/18/73/24/211187324.db2.gz	OKTJIQDEMCHWMS-UHFFFAOYSA-N	-1	1	382.420	3.256	10	30		GGEEMM
CC(=O)OCCCSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000069528002	211038199	/nfs/dbraw/zinc/03/81/99/211038199.db2.gz	OMCNHGVZUDHVBY-UHFFFAOYSA-N	-1	1	390.486	3.404	10	30		GGEEMM
C#CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCCCC)cc1)CC(=O)N2	ZINC000021784585	518336814	/nfs/dbraw/zinc/33/68/14/518336814.db2.gz	GIWCAIHCRXNHNP-OAHLLOKOSA-N	-1	1	383.473	3.148	10	30		GGEEMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N=Cc3ccc([N+](=O)[O-])o3)cc2)[nH]1	ZINC000103601374	520876047	/nfs/dbraw/zinc/87/60/47/520876047.db2.gz	OMGCSBBTZWLFTJ-VDCVXVNISA-N	-1	1	388.405	3.169	10	30		GGEEMM
COc1ccc(/C=C2/Oc3c(c(C)cc([O-])c3CN(C)C)C2=O)c(OC)c1OC	ZINC000037857479	523412086	/nfs/dbraw/zinc/41/20/86/523412086.db2.gz	MVRATUUEXSAMRO-LICLKQGHSA-N	-1	1	399.443	3.404	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)ccc1Cl	ZINC000055583296	564624412	/nfs/dbraw/zinc/62/44/12/564624412.db2.gz	ONPXTQOCIVVBIY-UHFFFAOYSA-N	-1	1	375.837	3.361	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)ccc1Cl	ZINC000055569576	564624774	/nfs/dbraw/zinc/62/47/74/564624774.db2.gz	AYAKMOSBEPKMRG-UHFFFAOYSA-N	-1	1	375.837	3.139	10	30		GGEEMM
CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000055591391	564625163	/nfs/dbraw/zinc/62/51/63/564625163.db2.gz	XDRBRDUPWLLYMV-UHFFFAOYSA-N	-1	1	377.853	3.152	10	30		GGEEMM
CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl	ZINC000055588687	564625728	/nfs/dbraw/zinc/62/57/28/564625728.db2.gz	GVQQPWBYWNSLOX-UHFFFAOYSA-N	-1	1	398.271	3.368	10	30		GGEEMM
COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1	ZINC000055643412	564627568	/nfs/dbraw/zinc/62/75/68/564627568.db2.gz	UJAYGVPLUATCKY-UHFFFAOYSA-N	-1	1	380.853	3.346	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1Cl	ZINC000055644798	564628209	/nfs/dbraw/zinc/62/82/09/564628209.db2.gz	PRFXLEAEHVDIRX-UHFFFAOYSA-N	-1	1	376.800	3.337	10	30		GGEEMM
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000067124350	564784984	/nfs/dbraw/zinc/78/49/84/564784984.db2.gz	VWWFWOXEDDNWHC-UHFFFAOYSA-N	-1	1	378.841	3.154	10	30		GGEEMM
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C(=O)N(C)C	ZINC000150871402	564895035	/nfs/dbraw/zinc/89/50/35/564895035.db2.gz	KGZQIOZWOVNZEM-UHFFFAOYSA-N	-1	1	377.853	3.023	10	30		GGEEMM
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000408282817	565601899	/nfs/dbraw/zinc/60/18/99/565601899.db2.gz	BGRUPELWCZRSAL-RDDDGLTNSA-N	-1	1	381.654	3.212	10	30		GGEEMM
COC(=O)CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1SCCC#N	ZINC000290436904	566171734	/nfs/dbraw/zinc/17/17/34/566171734.db2.gz	BNYCRSJZDORVLX-UHFFFAOYSA-N	-1	1	396.412	3.016	10	30		GGEEMM
CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1nccs1	ZINC000557822574	566423532	/nfs/dbraw/zinc/42/35/32/566423532.db2.gz	FHINBTGWHAPZNT-LLVKDONJSA-N	-1	1	386.296	3.207	10	30		GGEEMM
C=CCCCCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000578205740	566501589	/nfs/dbraw/zinc/50/15/89/566501589.db2.gz	YQFGINDMVLSSLU-UHFFFAOYSA-N	-1	1	379.309	3.134	10	30		GGEEMM
CO[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F	ZINC000469285406	566779231	/nfs/dbraw/zinc/77/92/31/566779231.db2.gz	PWMNCGYFJLLTHL-SNVBAGLBSA-N	-1	1	383.285	3.090	10	30		GGEEMM
CO[C@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F	ZINC000469315675	566780799	/nfs/dbraw/zinc/78/07/99/566780799.db2.gz	YYFVWZBLFYUNPQ-SNVBAGLBSA-N	-1	1	383.285	3.090	10	30		GGEEMM
Cc1ccc2nc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)[nH]c2c1	ZINC000427637195	566785032	/nfs/dbraw/zinc/78/50/32/566785032.db2.gz	OJSADXRDJOOGLN-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc1Br	ZINC000451334827	566799226	/nfs/dbraw/zinc/79/92/26/566799226.db2.gz	UAYODNFCTSXTAF-SECBINFHSA-N	-1	1	397.216	3.316	10	30		GGEEMM
CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F	ZINC000451606462	566848505	/nfs/dbraw/zinc/84/85/05/566848505.db2.gz	IMAKJDWDKNOTQP-UHFFFAOYSA-N	-1	1	385.205	3.174	10	30		GGEEMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)cc1C	ZINC000471581648	566962677	/nfs/dbraw/zinc/96/26/77/566962677.db2.gz	QBUYHNXPELWDGS-UHFFFAOYSA-N	-1	1	378.837	3.416	10	30		GGEEMM
C[C@@](CNC(=O)CCC(F)(F)F)([N-]C(=O)CCC(F)(F)F)C(F)(F)F	ZINC000583820037	566987023	/nfs/dbraw/zinc/98/70/23/566987023.db2.gz	QNSMGZLMXRLRHR-VIFPVBQESA-N	-1	1	390.246	3.225	10	30		GGEEMM
C=CCN(CC(F)(F)F)C(=O)c1ccc(I)c([O-])c1	ZINC000545517831	567058794	/nfs/dbraw/zinc/05/87/94/567058794.db2.gz	BLPGYCBNYXXQHD-UHFFFAOYSA-N	-1	1	385.123	3.187	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCC3)cc2Br)cn1	ZINC000566719555	567182972	/nfs/dbraw/zinc/18/29/72/567182972.db2.gz	JUJWGBUYWXYNOV-UHFFFAOYSA-N	-1	1	393.266	3.179	10	30		GGEEMM
N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F	ZINC000433447777	567250450	/nfs/dbraw/zinc/25/04/50/567250450.db2.gz	QJEYKEGCDCLCEM-CQSZACIVSA-N	-1	1	376.306	3.260	10	30		GGEEMM
COCCN(Cc1ccc(Br)s1)C(=O)c1cc([O-])cc(C#N)c1	ZINC000617419196	567308230	/nfs/dbraw/zinc/30/82/30/567308230.db2.gz	YNVXKQUYKNOMKM-UHFFFAOYSA-N	-1	1	395.278	3.377	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c(F)c1	ZINC000568585160	567340387	/nfs/dbraw/zinc/34/03/87/567340387.db2.gz	WUMGVJJRMWYYNR-AWEZNQCLSA-N	-1	1	376.306	3.260	10	30		GGEEMM
COC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(C(F)(F)F)c1	ZINC000593546857	567423641	/nfs/dbraw/zinc/42/36/41/567423641.db2.gz	LFCLIHVDDPTASC-LBPRGKRZSA-N	-1	1	390.408	3.305	10	30		GGEEMM
COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(C#N)CCCC1	ZINC000593623833	567430330	/nfs/dbraw/zinc/43/03/30/567430330.db2.gz	QSMWEGQXQRSJMY-UHFFFAOYSA-N	-1	1	391.276	3.142	10	30		GGEEMM
N#Cc1ncccc1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F	ZINC000594868865	567522950	/nfs/dbraw/zinc/52/29/50/567522950.db2.gz	VORAFBYBSPSXDZ-UHFFFAOYSA-N	-1	1	389.321	3.285	10	30		GGEEMM
C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(F)cc2C#N)cc1)C(=O)[O-]	ZINC000504701656	567544409	/nfs/dbraw/zinc/54/44/09/567544409.db2.gz	AWOLKAZFBQHNNV-JTQLQIEISA-N	-1	1	380.422	3.063	10	30		GGEEMM
C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(F)cc2C#N)cc1)C(=O)[O-]	ZINC000504701657	567544686	/nfs/dbraw/zinc/54/46/86/567544686.db2.gz	AWOLKAZFBQHNNV-SNVBAGLBSA-N	-1	1	380.422	3.063	10	30		GGEEMM
COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C	ZINC000508179075	567735400	/nfs/dbraw/zinc/73/54/00/567735400.db2.gz	HSCABSDBOUNBHN-HNNXBMFYSA-N	-1	1	393.292	3.387	10	30		GGEEMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1	ZINC000443369525	567752881	/nfs/dbraw/zinc/75/28/81/567752881.db2.gz	LMIYRRNFBAJLRZ-UHFFFAOYSA-N	-1	1	393.262	3.447	10	30		GGEEMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2	ZINC000006001766	570463917	/nfs/dbraw/zinc/46/39/17/570463917.db2.gz	JAYZOGUEWXGPNN-OAHLLOKOSA-N	-1	1	383.473	3.455	10	30		GGEEMM
COc1ccc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CCC3)cc1OC	ZINC000006009357	570464514	/nfs/dbraw/zinc/46/45/14/570464514.db2.gz	JFOKUZSJUPUSLV-HNNXBMFYSA-N	-1	1	399.472	3.074	10	30		GGEEMM
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3[O-])sc2C1	ZINC000005902562	570802028	/nfs/dbraw/zinc/80/20/28/570802028.db2.gz	FNHZLOATHWWYPT-TVQRCGJNSA-N	-1	1	390.534	3.056	10	30		GGEEMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc21	ZINC000064952083	222089267	/nfs/dbraw/zinc/08/92/67/222089267.db2.gz	GBRRYUBYXAZJHZ-UHFFFAOYSA-N	-1	1	387.486	3.208	10	30		GGEEMM
C#CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000032678953	518277900	/nfs/dbraw/zinc/27/79/00/518277900.db2.gz	XXSCVBQVODJYPG-UHFFFAOYSA-N	-1	1	397.283	3.086	10	30		GGEEMM
O=C(CSc1nnc(NN=Cc2ccccc2F)[n-]1)Nc1ccc(F)cc1	ZINC000020494516	527049248	/nfs/dbraw/zinc/04/92/48/527049248.db2.gz	YPPNWSQBLCHIAX-AWQFTUOYSA-N	-1	1	388.403	3.260	10	30		GGEEMM
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000127026798	564570361	/nfs/dbraw/zinc/57/03/61/564570361.db2.gz	QELMSUWDXQUSJT-UHFFFAOYSA-N	-1	1	388.758	3.457	10	30		GGEEMM
COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(OC)c1OC	ZINC000055548755	564623661	/nfs/dbraw/zinc/62/36/61/564623661.db2.gz	DLOVJNPKDAPCFM-UHFFFAOYSA-N	-1	1	382.825	3.038	10	30		GGEEMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl	ZINC000055583013	564624760	/nfs/dbraw/zinc/62/47/60/564624760.db2.gz	MQZBAZCMZMHSDX-UHFFFAOYSA-N	-1	1	385.228	3.452	10	30		GGEEMM
COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F	ZINC000057124187	564660863	/nfs/dbraw/zinc/66/08/63/564660863.db2.gz	NLQOZUPYBOEKNS-UHFFFAOYSA-N	-1	1	384.816	3.177	10	30		GGEEMM
N#Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Cl	ZINC000109713219	565030426	/nfs/dbraw/zinc/03/04/26/565030426.db2.gz	ZGZMGXUULGWFQG-UHFFFAOYSA-N	-1	1	388.758	3.457	10	30		GGEEMM
N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000295880367	565291425	/nfs/dbraw/zinc/29/14/25/565291425.db2.gz	ZRRQNTRWQZIQOA-IUCAKERBSA-N	-1	1	378.237	3.262	10	30		GGEEMM
N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000408061275	565593105	/nfs/dbraw/zinc/59/31/05/565593105.db2.gz	VTINVBAVYFGMGX-RDDDGLTNSA-N	-1	1	381.654	3.212	10	30		GGEEMM
N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)cc1Br	ZINC000416500417	566077034	/nfs/dbraw/zinc/07/70/34/566077034.db2.gz	GZWYNPIGHNURGR-UHFFFAOYSA-N	-1	1	397.216	3.174	10	30		GGEEMM
CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Br	ZINC000466961899	566610312	/nfs/dbraw/zinc/61/03/12/566610312.db2.gz	QQFJCVLAEFHUFV-UHFFFAOYSA-N	-1	1	394.294	3.183	10	30		GGEEMM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-]	ZINC000540999821	566685782	/nfs/dbraw/zinc/68/57/82/566685782.db2.gz	JEYPLHFHHSWRRJ-UHFFFAOYSA-N	-1	1	378.837	3.420	10	30		GGEEMM
N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c1	ZINC000541003377	566686456	/nfs/dbraw/zinc/68/64/56/566686456.db2.gz	KGPFVYQALAOSRQ-UHFFFAOYSA-N	-1	1	378.837	3.420	10	30		GGEEMM
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F	ZINC000468786914	566730080	/nfs/dbraw/zinc/73/00/80/566730080.db2.gz	CFLYMNPGMWBIBD-NSHDSACASA-N	-1	1	385.205	3.186	10	30		GGEEMM
COc1cc(C)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1	ZINC000581404488	566773785	/nfs/dbraw/zinc/77/37/85/566773785.db2.gz	PSBYFSXMOHASJI-UHFFFAOYSA-N	-1	1	380.809	3.028	10	30		GGEEMM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F	ZINC000469285386	566779287	/nfs/dbraw/zinc/77/92/87/566779287.db2.gz	PWMNCGYFJLLTHL-JTQLQIEISA-N	-1	1	383.285	3.090	10	30		GGEEMM
COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)c([O-])c1	ZINC000427806618	566800472	/nfs/dbraw/zinc/80/04/72/566800472.db2.gz	RVFMGVKVZHCGRY-UHFFFAOYSA-N	-1	1	395.278	3.377	10	30		GGEEMM
C=CCN=c1[n-]nc(SCc2nc3ccc(Br)cc3[nH]2)s1	ZINC000542714240	566819779	/nfs/dbraw/zinc/81/97/79/566819779.db2.gz	TXCBEXUFKRHTSI-UHFFFAOYSA-N	-1	1	382.312	3.489	10	30		GGEEMM
COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1	ZINC000451739380	566871880	/nfs/dbraw/zinc/87/18/80/566871880.db2.gz	WKWTWBCYXMWTLG-ONGXEEELSA-N	-1	1	391.276	3.141	10	30		GGEEMM
N#Cc1cnc(C(=O)Nc2cc(I)ccc2[O-])c(Cl)c1	ZINC000611157309	566894649	/nfs/dbraw/zinc/89/46/49/566894649.db2.gz	YMADUOGCXGQYSI-UHFFFAOYSA-N	-1	1	399.575	3.169	10	30		GGEEMM
CCCN(CCC)S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000543913266	566923031	/nfs/dbraw/zinc/92/30/31/566923031.db2.gz	INKRPSHMBMEQGY-UHFFFAOYSA-N	-1	1	381.889	3.176	10	30		GGEEMM
N#Cc1c(F)cccc1C(=O)Nc1cc(I)ccc1[O-]	ZINC000614635157	567128157	/nfs/dbraw/zinc/12/81/57/567128157.db2.gz	DHXYMRGYWYPDIE-UHFFFAOYSA-N	-1	1	382.132	3.260	10	30		GGEEMM
N#C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1ccc(F)cc1	ZINC000546877151	567165937	/nfs/dbraw/zinc/16/59/37/567165937.db2.gz	PBIZDWASXFZRLP-ZDUSSCGKSA-N	-1	1	396.159	3.131	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1Br	ZINC000432757661	567187479	/nfs/dbraw/zinc/18/74/79/567187479.db2.gz	BRBVOPSEULRUKK-UHFFFAOYSA-N	-1	1	393.262	3.447	10	30		GGEEMM
C[C@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)CC(F)F	ZINC000592067529	567313409	/nfs/dbraw/zinc/31/34/09/567313409.db2.gz	RJIFZUKFJVBSCG-ZETCQYMHSA-N	-1	1	385.205	3.029	10	30		GGEEMM
COc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1	ZINC000548595438	567336778	/nfs/dbraw/zinc/33/67/78/567336778.db2.gz	QMBKYDBUOXNCLZ-UHFFFAOYSA-N	-1	1	380.809	3.028	10	30		GGEEMM
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1	ZINC000528547077	567436233	/nfs/dbraw/zinc/43/62/33/567436233.db2.gz	MNHPEJWMTYFNNT-CQSZACIVSA-N	-1	1	388.276	3.039	10	30		GGEEMM
N#C[C@H](NC(=O)c1cc(I)ccc1[O-])c1ccc(F)cc1	ZINC000436736345	567447576	/nfs/dbraw/zinc/44/75/76/567447576.db2.gz	GJKJUBYYUJAOQZ-ZDUSSCGKSA-N	-1	1	396.159	3.131	10	30		GGEEMM
C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1	ZINC000664851208	567595551	/nfs/dbraw/zinc/59/55/51/567595551.db2.gz	TUHGIPBNNXPPHM-GFCCVEGCSA-N	-1	1	396.241	3.357	10	30		GGEEMM
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000443412537	567755003	/nfs/dbraw/zinc/75/50/03/567755003.db2.gz	BTEMFGCWZKQMLE-UHFFFAOYSA-N	-1	1	379.503	3.151	10	30		GGEEMM
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1	ZINC000443419403	567756385	/nfs/dbraw/zinc/75/63/85/567756385.db2.gz	RAQMGUSYYLRLNP-UHFFFAOYSA-N	-1	1	379.503	3.400	10	30		GGEEMM
O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1	ZINC000048234418	570221151	/nfs/dbraw/zinc/22/11/51/570221151.db2.gz	ZPRFGISJWVEVRL-NSHDSACASA-N	-1	1	399.348	3.032	10	30		GGEEMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC(C)C	ZINC000024497009	1399637612	/nfs/dbraw/zinc/63/76/12/1399637612.db2.gz	QNUJBTGCUVVXAZ-RTRPANQVSA-N	-1	1	378.808	3.364	10	30		GGEEMM
CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc21	ZINC000177928348	1428893636	/nfs/dbraw/zinc/89/36/36/1428893636.db2.gz	BPUZURLLTIQWNE-UHFFFAOYSA-N	-1	1	397.378	3.206	10	30		GGEEMM
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(Nc3nn[n-]n3)c2)cc1	ZINC001136666921	1426633588	/nfs/dbraw/zinc/63/35/88/1426633588.db2.gz	JIWYSZSBKUGYMB-QGZVFWFLSA-N	-1	1	375.436	3.235	10	30		GGEEMM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccc2ccccc2c1	ZINC000181817183	1430366624	/nfs/dbraw/zinc/36/66/24/1430366624.db2.gz	ACWGWVSZLWRXEQ-FQEVSTJZSA-N	-1	1	394.452	3.045	10	30		GGEEMM
CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(Nc3nn[n-]n3)c2)cc1	ZINC001136666920	1446180202	/nfs/dbraw/zinc/18/02/02/1446180202.db2.gz	JIWYSZSBKUGYMB-KRWDZBQOSA-N	-1	1	375.436	3.235	10	30		GGEEMM
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000129324903	1446254471	/nfs/dbraw/zinc/25/44/71/1446254471.db2.gz	DHDNOVUMDFWEMR-OAHLLOKOSA-N	-1	1	390.472	3.242	10	30		GGEEMM
CCOC(=O)c1c(C)oc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N	ZINC000005938209	204159013	/nfs/dbraw/zinc/15/90/13/204159013.db2.gz	COCVQEWEPKOPOK-UHFFFAOYSA-N	-1	1	377.740	3.450	10	30		GGEEMM
CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc21	ZINC000064952101	205202563	/nfs/dbraw/zinc/20/25/63/205202563.db2.gz	ZDTJRZQQIRYKSI-UHFFFAOYSA-N	-1	1	387.486	3.208	10	30		GGEEMM
CC(=NNc1nnc(SCC(=O)Nc2cccc(C)c2)[n-]1)c1ccncc1	ZINC000020408238	518453959	/nfs/dbraw/zinc/45/39/59/518453959.db2.gz	MMYOWEJHQPIOFH-XKZIYDEJSA-N	-1	1	381.465	3.075	10	30		GGEEMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000033274681	518885054	/nfs/dbraw/zinc/88/50/54/518885054.db2.gz	AEKMBMWTWSFIQI-UHFFFAOYSA-N	-1	1	390.892	3.475	10	30		GGEEMM
CCCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000102932843	519972411	/nfs/dbraw/zinc/97/24/11/519972411.db2.gz	UXPLCBHXPBTYNT-UHFFFAOYSA-N	-1	1	398.525	3.102	10	30		GGEEMM
CCOc1ccc(C(=O)C=C([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	ZINC000101355178	520872364	/nfs/dbraw/zinc/87/23/64/520872364.db2.gz	XVSOGMMLBCKRGH-BOPFTXTBSA-N	-1	1	386.360	3.265	10	30		GGEEMM
COc1cc(/C=N/[O-])cc(I)c1OC(=O)c1ccccc1	ZINC000013747712	521998257	/nfs/dbraw/zinc/99/82/57/521998257.db2.gz	FYFMVVDEGUITCU-RQZCQDPDSA-N	-1	1	397.168	3.327	10	30		GGEEMM
Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cccs3)[n-]2)cc1F	ZINC000020395451	525076154	/nfs/dbraw/zinc/07/61/54/525076154.db2.gz	PQQHWIVCFVCBJB-QGMBQPNBSA-N	-1	1	390.469	3.491	10	30		GGEEMM
COc1cccc(C(=O)CSc2nnc(NN=C(C)c3ccccn3)[n-]2)c1	ZINC000006213649	525786310	/nfs/dbraw/zinc/78/63/10/525786310.db2.gz	JTIBUMRDVHRKNU-MTJSOVHGSA-N	-1	1	382.449	3.019	10	30		GGEEMM
Cc1ccc(C(=O)Nc2nc(S(=O)(=O)Cc3ccc(Cl)cc3)n[n-]2)cc1	ZINC000021356688	525948065	/nfs/dbraw/zinc/94/80/65/525948065.db2.gz	FCMXQBDZAOYYDO-UHFFFAOYSA-N	-1	1	390.852	3.377	10	30		GGEEMM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)[n-]2)cc1	ZINC000021356688	525948074	/nfs/dbraw/zinc/94/80/74/525948074.db2.gz	FCMXQBDZAOYYDO-UHFFFAOYSA-N	-1	1	390.852	3.377	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1F	ZINC000118435599	564240587	/nfs/dbraw/zinc/24/05/87/564240587.db2.gz	ZNXMDTZAQPVLJW-AWEZNQCLSA-N	-1	1	376.306	3.418	10	30		GGEEMM
C=CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-]	ZINC000032742557	564405508	/nfs/dbraw/zinc/40/55/08/564405508.db2.gz	HAKJHAOOXPRWGS-UHFFFAOYSA-N	-1	1	375.222	3.323	10	30		GGEEMM
N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1	ZINC000295884228	565291441	/nfs/dbraw/zinc/29/14/41/565291441.db2.gz	ZZAWHAXIWLMYDQ-IUCAKERBSA-N	-1	1	379.226	3.088	10	30		GGEEMM
CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1	ZINC000171101295	565409867	/nfs/dbraw/zinc/40/98/67/565409867.db2.gz	VZXQYIYVNCPTKA-MRXNPFEDSA-N	-1	1	382.869	3.497	10	30		GGEEMM
CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1	ZINC000171101290	565410346	/nfs/dbraw/zinc/41/03/46/565410346.db2.gz	VZXQYIYVNCPTKA-INIZCTEOSA-N	-1	1	382.869	3.497	10	30		GGEEMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C(=O)N(C)C	ZINC000176525439	565780819	/nfs/dbraw/zinc/78/08/19/565780819.db2.gz	WIXGVIAFNFDBAA-UHFFFAOYSA-N	-1	1	377.853	3.023	10	30		GGEEMM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1	ZINC000462412458	566299349	/nfs/dbraw/zinc/29/93/49/566299349.db2.gz	SVVVNEGIPUCKIB-UHFFFAOYSA-N	-1	1	377.274	3.284	10	30		GGEEMM
CCn1c(CNC(=O)c2ccc(C#N)c([O-])c2)nc2cc(Br)ccc21	ZINC000483052831	566355600	/nfs/dbraw/zinc/35/56/00/566355600.db2.gz	OMCBYDRWQHGBMW-UHFFFAOYSA-N	-1	1	399.248	3.326	10	30		GGEEMM
CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1nccs1	ZINC000557822575	566423624	/nfs/dbraw/zinc/42/36/24/566423624.db2.gz	FHINBTGWHAPZNT-NSHDSACASA-N	-1	1	386.296	3.207	10	30		GGEEMM
CCc1[n-][nH]c(=NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1Br	ZINC000448319075	566467335	/nfs/dbraw/zinc/46/73/35/566467335.db2.gz	PMVZYOZNOQNMEO-OAHLLOKOSA-N	-1	1	391.269	3.070	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)ccc1Cl	ZINC000578304555	566509492	/nfs/dbraw/zinc/50/94/92/566509492.db2.gz	VRTDXODNUSQIBS-SNVBAGLBSA-N	-1	1	381.788	3.250	10	30		GGEEMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000425180922	566612972	/nfs/dbraw/zinc/61/29/72/566612972.db2.gz	UQBRFUPZOLEXEQ-UFBFGSQYSA-N	-1	1	398.681	3.111	10	30		GGEEMM
Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(Br)c1	ZINC000513791549	566623598	/nfs/dbraw/zinc/62/35/98/566623598.db2.gz	QKDFYJLFHKSFJV-UHFFFAOYSA-N	-1	1	386.658	3.478	10	30		GGEEMM
Cc1ncc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C#N	ZINC000427243401	566759215	/nfs/dbraw/zinc/75/92/15/566759215.db2.gz	PKKJTEFOARSPNR-UHFFFAOYSA-N	-1	1	386.216	3.068	10	30		GGEEMM
Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C#N	ZINC000489509724	566793304	/nfs/dbraw/zinc/79/33/04/566793304.db2.gz	FYHXOXOKSIABTL-AWEZNQCLSA-N	-1	1	389.786	3.497	10	30		GGEEMM
O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cccc(OC(F)(F)F)c1F	ZINC000489860910	566814601	/nfs/dbraw/zinc/81/46/01/566814601.db2.gz	NPKRBPODNWRHQC-UHFFFAOYSA-N	-1	1	381.269	3.345	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1Br	ZINC000432973233	567211698	/nfs/dbraw/zinc/21/16/98/567211698.db2.gz	UXXZTCIBIOFNMX-UHFFFAOYSA-N	-1	1	395.213	3.137	10	30		GGEEMM
C[C@H](Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-]	ZINC000548263253	567300529	/nfs/dbraw/zinc/30/05/29/567300529.db2.gz	VDNVNXWCQJIKKY-LLVKDONJSA-N	-1	1	378.837	3.276	10	30		GGEEMM
Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1C#N	ZINC000548554652	567328666	/nfs/dbraw/zinc/32/86/66/567328666.db2.gz	BALGJXXBTWQQTI-UHFFFAOYSA-N	-1	1	395.234	3.128	10	30		GGEEMM
CC(C)(C)CCOc1cnccc1C[N-]S(=O)(=O)c1ccsc1C#N	ZINC000593597210	567427021	/nfs/dbraw/zinc/42/70/21/567427021.db2.gz	VRIOEOIIWZHCHQ-UHFFFAOYSA-N	-1	1	379.507	3.308	10	30		GGEEMM
COc1cc(-c2noc(CC3(C#N)CCOCC3)n2)cc(Br)c1[O-]	ZINC000596594581	567642596	/nfs/dbraw/zinc/64/25/96/567642596.db2.gz	ZXRLNPUSIYTPHV-UHFFFAOYSA-N	-1	1	394.225	3.076	10	30		GGEEMM
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C#N)c([O-])c1	ZINC000442853568	567712520	/nfs/dbraw/zinc/71/25/20/567712520.db2.gz	HTQMGACAGCDVBK-UHFFFAOYSA-N	-1	1	378.215	3.281	10	30		GGEEMM
N#CC1CCC(CNC(=O)c2ccc(I)c([O-])c2)CC1	ZINC000442982328	567721814	/nfs/dbraw/zinc/72/18/14/567721814.db2.gz	LHOIXQXYUZGYQF-UHFFFAOYSA-N	-1	1	384.217	3.057	10	30		GGEEMM
CCCCCC(=O)N(Cc1ccc(C#N)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O	ZINC000101878165	570837841	/nfs/dbraw/zinc/83/78/41/570837841.db2.gz	ARNQRSKWRYQDHL-UHFFFAOYSA-N	-1	1	392.463	3.020	10	30		GGEEMM
Cc1ccc(C(=O)Nc2cccc(C=CC(=O)c3c([O-])cc(C)oc3=O)c2)cc1	ZINC000103337880	1410849744	/nfs/dbraw/zinc/84/97/44/1410849744.db2.gz	FBZAMKZCMVWLSZ-OGECGYFKSA-N	-1	1	389.407	3.476	10	30		GGEEMM
N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(-c4ccco4)s3)n2)cc1	ZINC000178007648	1428931918	/nfs/dbraw/zinc/93/19/18/1428931918.db2.gz	DJJLGJKQNAURFF-UHFFFAOYSA-N	-1	1	376.401	3.167	10	30		GGEEMM
C#CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1OCCCC)CC(=O)N2	ZINC000086058043	206260449	/nfs/dbraw/zinc/26/04/49/206260449.db2.gz	SCROUIRTLNMTON-AWEZNQCLSA-N	-1	1	383.473	3.148	10	30		GGEEMM
NC(=O)c1cc(C2=NN/C(=N\c3cccc(C(F)(F)F)c3)SC2)ccc1[O-]	ZINC000012554826	527024890	/nfs/dbraw/zinc/02/48/90/527024890.db2.gz	SNXFALKLNQFDCX-UHFFFAOYSA-N	-1	1	394.378	3.238	10	30		GGEEMM
Cc1nccc(-c2cccc([N-]/N=C(\C#N)S(=O)(=O)c3ccccc3)c2)n1	ZINC000001037623	527321980	/nfs/dbraw/zinc/32/19/80/527321980.db2.gz	CQMYQDFTKSRFLR-LYBHJNIJSA-N	-1	1	377.429	3.175	10	30		GGEEMM
Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000116712260	564215020	/nfs/dbraw/zinc/21/50/20/564215020.db2.gz	LJALXEURXKHJOV-QHCPKHFHSA-N	-1	1	382.894	3.199	10	30		GGEEMM
Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000116712258	564215109	/nfs/dbraw/zinc/21/51/09/564215109.db2.gz	LJALXEURXKHJOV-HSZRJFAPSA-N	-1	1	382.894	3.199	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)ccc1F	ZINC000118435603	564240426	/nfs/dbraw/zinc/24/04/26/564240426.db2.gz	ZNXMDTZAQPVLJW-CQSZACIVSA-N	-1	1	376.306	3.418	10	30		GGEEMM
Cc1cc(Cl)c(S(=O)(=O)[N-]N=Cc2ccc3c(c2)OCO3)c(Cl)c1	ZINC000008666966	564250913	/nfs/dbraw/zinc/25/09/13/564250913.db2.gz	FTIDFXHSQPSAKF-UHFFFAOYSA-N	-1	1	387.244	3.343	10	30		GGEEMM
Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000055597078	564626640	/nfs/dbraw/zinc/62/66/40/564626640.db2.gz	LQDHKHFMVQINGY-UHFFFAOYSA-N	-1	1	377.853	3.023	10	30		GGEEMM
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1	ZINC000055665565	564628829	/nfs/dbraw/zinc/62/88/29/564628829.db2.gz	HXZGETDPJDLQCA-UHFFFAOYSA-N	-1	1	377.853	3.152	10	30		GGEEMM
Cc1nc2nc(S(=O)(=O)CCCC(C)(C)C#N)[n-]c2cc1Br	ZINC000152053919	564946151	/nfs/dbraw/zinc/94/61/51/564946151.db2.gz	LNQOWEYFDVGRGJ-UHFFFAOYSA-N	-1	1	385.287	3.133	10	30		GGEEMM
Cc1[n-]c2nc(S(=O)(=O)CCCC(C)(C)C#N)nc-2cc1Br	ZINC000152053919	564946155	/nfs/dbraw/zinc/94/61/55/564946155.db2.gz	LNQOWEYFDVGRGJ-UHFFFAOYSA-N	-1	1	385.287	3.133	10	30		GGEEMM
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000408061273	565593717	/nfs/dbraw/zinc/59/37/17/565593717.db2.gz	VTINVBAVYFGMGX-HQJQHLMTSA-N	-1	1	381.654	3.212	10	30		GGEEMM
N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000408282816	565601829	/nfs/dbraw/zinc/60/18/29/565601829.db2.gz	BGRUPELWCZRSAL-HQJQHLMTSA-N	-1	1	381.654	3.212	10	30		GGEEMM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000192129582	565661486	/nfs/dbraw/zinc/66/14/86/565661486.db2.gz	RVBALBGQSWGVMW-LLVKDONJSA-N	-1	1	398.893	3.135	10	30		GGEEMM
COCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000175969090	565736921	/nfs/dbraw/zinc/73/69/21/565736921.db2.gz	PNJZFRYCTNHUCK-UHFFFAOYSA-N	-1	1	380.853	3.428	10	30		GGEEMM
N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F	ZINC000182873391	566227709	/nfs/dbraw/zinc/22/77/09/566227709.db2.gz	FODKAXFTVIVTAW-CQSZACIVSA-N	-1	1	376.306	3.418	10	30		GGEEMM
C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2ncsc2c1	ZINC000485952504	566543039	/nfs/dbraw/zinc/54/30/39/566543039.db2.gz	BIIKYWIWUHMGJT-VIFPVBQESA-N	-1	1	379.413	3.486	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)ccc1Cl	ZINC000603972532	566549323	/nfs/dbraw/zinc/54/93/23/566549323.db2.gz	DDHNZXLBPHFNJX-UHFFFAOYSA-N	-1	1	379.850	3.057	10	30		GGEEMM
COc1cc(-c2noc(-c3ncc(C#N)cc3C)n2)cc(Br)c1[O-]	ZINC000559979538	566582406	/nfs/dbraw/zinc/58/24/06/566582406.db2.gz	ZFJVQYVWUUUOJM-UHFFFAOYSA-N	-1	1	387.193	3.455	10	30		GGEEMM
Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)[nH]c2c1	ZINC000427635962	566784402	/nfs/dbraw/zinc/78/44/02/566784402.db2.gz	ILUROZBJNPJWNF-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000609985535	566797643	/nfs/dbraw/zinc/79/76/43/566797643.db2.gz	NFFFNROQOVZZSP-UHFFFAOYSA-N	-1	1	378.837	3.118	10	30		GGEEMM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1Br	ZINC000451334830	566799180	/nfs/dbraw/zinc/79/91/80/566799180.db2.gz	UAYODNFCTSXTAF-VIFPVBQESA-N	-1	1	397.216	3.316	10	30		GGEEMM
N#Cc1cccc(CC(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)c1	ZINC000583541078	566959698	/nfs/dbraw/zinc/95/96/98/566959698.db2.gz	ZUHTYJBSUPIPRX-UHFFFAOYSA-N	-1	1	387.262	3.375	10	30		GGEEMM
COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-]	ZINC000614326190	567104104	/nfs/dbraw/zinc/10/41/04/567104104.db2.gz	XWSIKAOZGZVOIG-UHFFFAOYSA-N	-1	1	380.809	3.028	10	30		GGEEMM
CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1	ZINC000588853146	567141083	/nfs/dbraw/zinc/14/10/83/567141083.db2.gz	QUNAEQIMUZKCJI-UHFFFAOYSA-N	-1	1	377.853	3.104	10	30		GGEEMM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F	ZINC000432964344	567209667	/nfs/dbraw/zinc/20/96/67/567209667.db2.gz	GFYFXEATKUSGER-NSHDSACASA-N	-1	1	385.205	3.186	10	30		GGEEMM
COCCN(Cc1sccc1Br)C(=O)c1cc([O-])cc(C#N)c1	ZINC000616716197	567253805	/nfs/dbraw/zinc/25/38/05/567253805.db2.gz	HHEBOCHTFCCFTA-UHFFFAOYSA-N	-1	1	395.278	3.377	10	30		GGEEMM
CCn1c(CNC(=O)c2cc([O-])cc(C#N)c2)nc2cc(Br)ccc21	ZINC000616722408	567253910	/nfs/dbraw/zinc/25/39/10/567253910.db2.gz	MKINZYGSQYBCBJ-UHFFFAOYSA-N	-1	1	399.248	3.326	10	30		GGEEMM
C[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-]	ZINC000548263254	567300869	/nfs/dbraw/zinc/30/08/69/567300869.db2.gz	VDNVNXWCQJIKKY-NSHDSACASA-N	-1	1	378.837	3.276	10	30		GGEEMM
CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1cccc(C#N)c1	ZINC000569210728	567387194	/nfs/dbraw/zinc/38/71/94/567387194.db2.gz	ZNKVRMROOZTCKQ-UHFFFAOYSA-N	-1	1	382.217	3.439	10	30		GGEEMM
N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCCC1	ZINC000593619605	567427893	/nfs/dbraw/zinc/42/78/93/567427893.db2.gz	DJUKWAQZRCEMPQ-UHFFFAOYSA-N	-1	1	379.226	3.090	10	30		GGEEMM
C[C@]1(CC[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F	ZINC000594857572	567520916	/nfs/dbraw/zinc/52/09/16/567520916.db2.gz	MBMQOYWTHGTOLS-LBPRGKRZSA-N	-1	1	397.216	3.174	10	30		GGEEMM
C[C@@]1(CC[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F	ZINC000594857543	567521237	/nfs/dbraw/zinc/52/12/37/567521237.db2.gz	MBMQOYWTHGTOLS-GFCCVEGCSA-N	-1	1	397.216	3.174	10	30		GGEEMM
CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1(F)F	ZINC000595350569	567558037	/nfs/dbraw/zinc/55/80/37/567558037.db2.gz	FELBDTKDEBFSQJ-LLVKDONJSA-N	-1	1	397.216	3.029	10	30		GGEEMM
CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1	ZINC000508087738	567727775	/nfs/dbraw/zinc/72/77/75/567727775.db2.gz	HHYRUZQTBCXJTM-UHFFFAOYSA-N	-1	1	380.267	3.188	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1Cl	ZINC000555413812	567782219	/nfs/dbraw/zinc/78/22/19/567782219.db2.gz	KCBQAZSYBVDUPQ-JTQLQIEISA-N	-1	1	381.788	3.250	10	30		GGEEMM
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3[O-])sc2C1	ZINC000005901691	570802695	/nfs/dbraw/zinc/80/26/95/570802695.db2.gz	FNHZLOATHWWYPT-NOZJJQNGSA-N	-1	1	390.534	3.056	10	30		GGEEMM
Cc1ccc(C(=O)Nc2cccc(C=CC(=O)c3c([O-])cc(C)oc3=O)c2)cc1	ZINC000105639825	1411094157	/nfs/dbraw/zinc/09/41/57/1411094157.db2.gz	FBZAMKZCMVWLSZ-ZRKSWWEUSA-N	-1	1	389.407	3.476	10	30		GGEEMM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccc2ccccc2c1	ZINC000181817161	1430366514	/nfs/dbraw/zinc/36/65/14/1430366514.db2.gz	ACWGWVSZLWRXEQ-HXUWFJFHSA-N	-1	1	394.452	3.045	10	30		GGEEMM
CCCCN1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	ZINC000254905603	1433872247	/nfs/dbraw/zinc/87/22/47/1433872247.db2.gz	YDYVKAYAHJZKQK-UHFFFAOYSA-N	-1	1	383.364	3.466	10	30		GGEEMM
CN1c2ccsc2C(=O)/C(=N\[N-]c2cccc(C(F)(F)F)c2)S1(=O)=O	ZINC000004697019	209513075	/nfs/dbraw/zinc/51/30/75/209513075.db2.gz	YJGJDDUKILWJHN-CPNJWEJPSA-N	-1	1	389.380	3.155	10	30		GGEEMM
C=CCn1c2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2sc1=O	ZINC000046017749	519262473	/nfs/dbraw/zinc/26/24/73/519262473.db2.gz	XKUZRMGXOAKKTG-UHFFFAOYSA-N	-1	1	376.459	3.058	10	30		GGEEMM
CCOc1ccc(C(=O)C=C([O-])C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000101355175	520872629	/nfs/dbraw/zinc/87/26/29/520872629.db2.gz	DNUMJXKFGZMTHF-BOPFTXTBSA-N	-1	1	386.360	3.265	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1Cl	ZINC000118161416	564237023	/nfs/dbraw/zinc/23/70/23/564237023.db2.gz	DFOCXRDLZPUIBX-UHFFFAOYSA-N	-1	1	376.800	3.337	10	30		GGEEMM
CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1	ZINC000055651827	564628846	/nfs/dbraw/zinc/62/88/46/564628846.db2.gz	QNHHSOAAOPBFDT-UHFFFAOYSA-N	-1	1	377.853	3.071	10	30		GGEEMM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2ccc(Br)cc2[nH]1	ZINC000072301888	564861896	/nfs/dbraw/zinc/86/18/96/564861896.db2.gz	LQRAUMCQASZNRR-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)ccc1Cl	ZINC000158246856	565162649	/nfs/dbraw/zinc/16/26/49/565162649.db2.gz	NNWYIRKXUMMMGZ-OAHLLOKOSA-N	-1	1	378.837	3.180	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)ccc1Cl	ZINC000171268407	565422795	/nfs/dbraw/zinc/42/27/95/565422795.db2.gz	YLGFBEXGKUNVQU-UHFFFAOYSA-N	-1	1	375.837	3.287	10	30		GGEEMM
COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1	ZINC000171751381	565448370	/nfs/dbraw/zinc/44/83/70/565448370.db2.gz	FFLJLWCINOWTJK-UHFFFAOYSA-N	-1	1	378.837	3.118	10	30		GGEEMM
N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000408282815	565602242	/nfs/dbraw/zinc/60/22/42/565602242.db2.gz	BGRUPELWCZRSAL-CPCISQLKSA-N	-1	1	381.654	3.212	10	30		GGEEMM
COCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2o1	ZINC000175922493	565733634	/nfs/dbraw/zinc/73/36/34/565733634.db2.gz	CRMANSLSJWXVHR-UHFFFAOYSA-N	-1	1	377.809	3.300	10	30		GGEEMM
N#Cc1ccc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)cc1F	ZINC000195114884	565859267	/nfs/dbraw/zinc/85/92/67/565859267.db2.gz	DDTJMUBADYNNBK-UHFFFAOYSA-N	-1	1	376.800	3.110	10	30		GGEEMM
N#Cc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)cc1F	ZINC000195114884	565859272	/nfs/dbraw/zinc/85/92/72/565859272.db2.gz	DDTJMUBADYNNBK-UHFFFAOYSA-N	-1	1	376.800	3.110	10	30		GGEEMM
COc1cc(-c2noc(-c3ccc(C#N)c(C)n3)n2)cc(Br)c1[O-]	ZINC000445402817	566288099	/nfs/dbraw/zinc/28/80/99/566288099.db2.gz	MHBOVPJXKCPJBA-UHFFFAOYSA-N	-1	1	387.193	3.455	10	30		GGEEMM
CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1	ZINC000485268460	566487980	/nfs/dbraw/zinc/48/79/80/566487980.db2.gz	HIWZBUQIXAKEHM-UHFFFAOYSA-N	-1	1	380.853	3.162	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(Cl)cc(Cl)c3)n[nH]2)cn1	ZINC000538135159	566495430	/nfs/dbraw/zinc/49/54/30/566495430.db2.gz	GFPZMGZKIKGOIP-UHFFFAOYSA-N	-1	1	394.243	3.451	10	30		GGEEMM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1	ZINC000486567347	566599513	/nfs/dbraw/zinc/59/95/13/566599513.db2.gz	QWYPTBRXTCCVSL-UHFFFAOYSA-N	-1	1	395.213	3.137	10	30		GGEEMM
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000425180981	566613005	/nfs/dbraw/zinc/61/30/05/566613005.db2.gz	VCCUDAXHOLFGFM-UFBFGSQYSA-N	-1	1	398.681	3.111	10	30		GGEEMM
COc1cc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(OC)c1	ZINC000488238241	566716220	/nfs/dbraw/zinc/71/62/20/566716220.db2.gz	ULSVZLLPIUQOMP-UHFFFAOYSA-N	-1	1	382.825	3.038	10	30		GGEEMM
COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(OC)c1	ZINC000488277696	566720042	/nfs/dbraw/zinc/72/00/42/566720042.db2.gz	LICVDPHLQIJBFA-UHFFFAOYSA-N	-1	1	382.825	3.038	10	30		GGEEMM
CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F	ZINC000469315657	566780918	/nfs/dbraw/zinc/78/09/18/566780918.db2.gz	YYFVWZBLFYUNPQ-JTQLQIEISA-N	-1	1	383.285	3.090	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c(Cl)c1	ZINC000542859122	566832128	/nfs/dbraw/zinc/83/21/28/566832128.db2.gz	QRRLRYWVPXQWEE-UHFFFAOYSA-N	-1	1	378.837	3.420	10	30		GGEEMM
Cc1cc(C#N)ccc1C(=O)Nc1cc(I)ccc1[O-]	ZINC000610987090	566879492	/nfs/dbraw/zinc/87/94/92/566879492.db2.gz	DKIKSHSMKWVGTR-UHFFFAOYSA-N	-1	1	378.169	3.429	10	30		GGEEMM
N#Cc1cncc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1	ZINC000563573672	566896925	/nfs/dbraw/zinc/89/69/25/566896925.db2.gz	QPBUCJOTKWEOTQ-ZDUSSCGKSA-N	-1	1	375.759	3.189	10	30		GGEEMM
COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1	ZINC000471926270	566986744	/nfs/dbraw/zinc/98/67/44/566986744.db2.gz	BDKSAEWRNKXZFD-UHFFFAOYSA-N	-1	1	382.800	3.247	10	30		GGEEMM
C[C@](CNC(=O)CCC(F)(F)F)([N-]C(=O)CCC(F)(F)F)C(F)(F)F	ZINC000583820036	566987124	/nfs/dbraw/zinc/98/71/24/566987124.db2.gz	QNSMGZLMXRLRHR-SECBINFHSA-N	-1	1	390.246	3.225	10	30		GGEEMM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1	ZINC000473851739	567108015	/nfs/dbraw/zinc/10/80/15/567108015.db2.gz	HNYKMASKNCQQDW-UHFFFAOYSA-N	-1	1	389.235	3.361	10	30		GGEEMM
COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F	ZINC000589556566	567182837	/nfs/dbraw/zinc/18/28/37/567182837.db2.gz	JSGAZYIJYYYCKN-UHFFFAOYSA-N	-1	1	382.800	3.247	10	30		GGEEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc12	ZINC000432766694	567186407	/nfs/dbraw/zinc/18/64/07/567186407.db2.gz	DXPVHOOKKJYHFQ-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc12	ZINC000432766694	567186416	/nfs/dbraw/zinc/18/64/16/567186416.db2.gz	DXPVHOOKKJYHFQ-UHFFFAOYSA-N	-1	1	391.250	3.306	10	30		GGEEMM
N#Cc1ccsc1N1CC[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1=O	ZINC000434792790	567329189	/nfs/dbraw/zinc/32/91/89/567329189.db2.gz	GDHIMAAYPSBGTE-QMMMGPOBSA-N	-1	1	386.380	3.032	10	30		GGEEMM
Cc1c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]nc1C(C)C	ZINC000592384979	567335441	/nfs/dbraw/zinc/33/54/41/567335441.db2.gz	FSRJRYLOLQZTGD-UHFFFAOYSA-N	-1	1	383.271	3.277	10	30		GGEEMM
N#Cc1cncc(S(=O)(=O)[N-]c2cc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c1	ZINC000568690648	567348971	/nfs/dbraw/zinc/34/89/71/567348971.db2.gz	DILXEOROYPOODT-UHFFFAOYSA-N	-1	1	394.243	3.451	10	30		GGEEMM
CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1	ZINC000569608716	567417156	/nfs/dbraw/zinc/41/71/56/567417156.db2.gz	GKWDKMPAWAYIIU-UHFFFAOYSA-N	-1	1	376.232	3.039	10	30		GGEEMM
N#C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1ccc(F)cc1	ZINC000436736340	567447404	/nfs/dbraw/zinc/44/74/04/567447404.db2.gz	GJKJUBYYUJAOQZ-CYBMUJFWSA-N	-1	1	396.159	3.131	10	30		GGEEMM
CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1(F)F	ZINC000595350570	567557266	/nfs/dbraw/zinc/55/72/66/567557266.db2.gz	FELBDTKDEBFSQJ-NSHDSACASA-N	-1	1	397.216	3.029	10	30		GGEEMM
CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Br)c3)cc21	ZINC000508105813	567730285	/nfs/dbraw/zinc/73/02/85/567730285.db2.gz	YNDHMEGISNVZOR-UHFFFAOYSA-N	-1	1	392.278	3.114	10	30		GGEEMM
COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C	ZINC000508179083	567735901	/nfs/dbraw/zinc/73/59/01/567735901.db2.gz	HSCABSDBOUNBHN-OAHLLOKOSA-N	-1	1	393.292	3.387	10	30		GGEEMM
Cc1cn2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc2n1	ZINC000443357979	567751426	/nfs/dbraw/zinc/75/14/26/567751426.db2.gz	FSWFRQCWWDLDDF-UHFFFAOYSA-N	-1	1	391.250	3.078	10	30		GGEEMM
C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)CC)c1	ZINC000443420863	567756793	/nfs/dbraw/zinc/75/67/93/567756793.db2.gz	ACHABXVFKWWPQE-UHFFFAOYSA-N	-1	1	379.503	3.400	10	30		GGEEMM
COc1ccc([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CCC3)cc1OC	ZINC000006009366	570464307	/nfs/dbraw/zinc/46/43/07/570464307.db2.gz	JFOKUZSJUPUSLV-OAHLLOKOSA-N	-1	1	399.472	3.074	10	30		GGEEMM
O=[N+]([O-])c1ccc(C=NNc2nnc(SCc3ccc([N+](=O)[O-])cc3)[n-]2)cc1	ZINC000009695122	570560511	/nfs/dbraw/zinc/56/05/11/570560511.db2.gz	CLRWPFICWMHPPA-RQZCQDPDSA-N	-1	1	399.392	3.359	10	30		GGEEMM
CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc21	ZINC000065021282	570648097	/nfs/dbraw/zinc/64/80/97/570648097.db2.gz	BLIDHKZWXKDQCO-UHFFFAOYSA-N	-1	1	395.484	3.393	10	30		GGEEMM
C=CCOc1ccc(C=CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1OC	ZINC001141846171	1442132442	/nfs/dbraw/zinc/13/24/42/1442132442.db2.gz	PPRXVMROKRPAFG-NTMALXAHSA-N	-1	1	391.431	3.016	10	30		GGEEMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCCC3)c2)cc1	ZINC000067508641	222148378	/nfs/dbraw/zinc/14/83/78/222148378.db2.gz	JOCCSSFFLVRDRA-UHFFFAOYSA-N	-1	1	383.473	3.362	10	30		GGEEMM
CC(=NNc1nnc(SCC(=O)Nc2c(C)cccc2C)[n-]1)c1cccnc1	ZINC000020418149	518467231	/nfs/dbraw/zinc/46/72/31/518467231.db2.gz	AEURIUIYWUIGBG-OEAKJJBVSA-N	-1	1	395.492	3.383	10	30		GGEEMM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1	ZINC000033274687	518884852	/nfs/dbraw/zinc/88/48/52/518884852.db2.gz	RIXKWORHIPYRTR-UHFFFAOYSA-N	-1	1	384.501	3.438	10	30		GGEEMM
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[n-]c(=O)c2[C@@H]1c1cccnc1	ZINC000021729457	518972314	/nfs/dbraw/zinc/97/23/14/518972314.db2.gz	JLXZFBZZQLHNST-OAHLLOKOSA-N	-1	1	398.488	3.228	10	30		GGEEMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC(F)F	ZINC000032641957	521936680	/nfs/dbraw/zinc/93/66/80/521936680.db2.gz	INRUBLBTYKNKIM-RDFMZFSFSA-N	-1	1	386.734	3.178	10	30		GGEEMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC(F)F	ZINC000032641953	521937707	/nfs/dbraw/zinc/93/77/07/521937707.db2.gz	INRUBLBTYKNKIM-XGACYXMMSA-N	-1	1	386.734	3.178	10	30		GGEEMM
COc1ccc(C(=O)[N-]C(=O)CSc2nc3ccccc3n2CCC#N)cc1	ZINC000006647515	523679194	/nfs/dbraw/zinc/67/91/94/523679194.db2.gz	STIKAXWDBBZBNX-UHFFFAOYSA-N	-1	1	394.456	3.007	10	30		GGEEMM
COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000101355578	524802891	/nfs/dbraw/zinc/80/28/91/524802891.db2.gz	YYKGPXDVJRVKLR-YVLHZVERSA-N	-1	1	386.360	3.184	10	30		GGEEMM
Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc([O-])c(Br)c2)cc1	ZINC000006214001	564221387	/nfs/dbraw/zinc/22/13/87/564221387.db2.gz	PVSDZHIVZQDSIL-LICLKQGHSA-N	-1	1	383.267	3.118	10	30		GGEEMM
Cc1ccc(C(=O)N[C@H](C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000125730561	564524779	/nfs/dbraw/zinc/52/47/79/564524779.db2.gz	WTQSHLCMPNDDAV-GFCCVEGCSA-N	-1	1	377.853	3.091	10	30		GGEEMM
C[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000068926095	564829477	/nfs/dbraw/zinc/82/94/77/564829477.db2.gz	GGPPLVMLBSFZGT-SNVBAGLBSA-N	-1	1	398.271	3.436	10	30		GGEEMM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C2CC2)no1	ZINC000069128406	564833534	/nfs/dbraw/zinc/83/35/34/564833534.db2.gz	XPDQFIONPABFGP-AWEZNQCLSA-N	-1	1	380.857	3.148	10	30		GGEEMM
N#Cc1cncc(S(=O)(=O)[N-]c2ncc(C3CCC3)cc2Br)c1	ZINC000295261458	565255776	/nfs/dbraw/zinc/25/57/76/565255776.db2.gz	YCKPWYQJPIYIGT-UHFFFAOYSA-N	-1	1	393.266	3.179	10	30		GGEEMM
COCCN(Cc1sccc1Br)C(=O)c1ccc(C#N)c([O-])c1	ZINC000190143072	565510628	/nfs/dbraw/zinc/51/06/28/565510628.db2.gz	OUELZXXQMDQHRY-UHFFFAOYSA-N	-1	1	395.278	3.377	10	30		GGEEMM
N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F	ZINC000408282818	565602157	/nfs/dbraw/zinc/60/21/57/565602157.db2.gz	BGRUPELWCZRSAL-WRWORJQWSA-N	-1	1	381.654	3.212	10	30		GGEEMM
N#Cc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)ccc1Cl	ZINC000578304554	566509707	/nfs/dbraw/zinc/50/97/07/566509707.db2.gz	VRTDXODNUSQIBS-JTQLQIEISA-N	-1	1	381.788	3.250	10	30		GGEEMM
CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Br	ZINC000466965061	566612269	/nfs/dbraw/zinc/61/22/69/566612269.db2.gz	OJJMXCUQOPJNKF-UHFFFAOYSA-N	-1	1	394.294	3.183	10	30		GGEEMM
COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F	ZINC000580864967	566729702	/nfs/dbraw/zinc/72/97/02/566729702.db2.gz	DWKLCWQEHSRSPW-UHFFFAOYSA-N	-1	1	382.800	3.247	10	30		GGEEMM
Cc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C#N	ZINC000489509726	566793946	/nfs/dbraw/zinc/79/39/46/566793946.db2.gz	FYHXOXOKSIABTL-CQSZACIVSA-N	-1	1	389.786	3.497	10	30		GGEEMM
C=CCOCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl	ZINC000681156158	566955826	/nfs/dbraw/zinc/95/58/26/566955826.db2.gz	ZOOQLJBWMYJHFV-UHFFFAOYSA-N	-1	1	389.098	3.237	10	30		GGEEMM
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1	ZINC000548528667	567323229	/nfs/dbraw/zinc/32/32/29/567323229.db2.gz	BVKCXHMOLYNXFM-UHFFFAOYSA-N	-1	1	375.793	3.192	10	30		GGEEMM
Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]nc1C(C)C	ZINC000592385255	567335066	/nfs/dbraw/zinc/33/50/66/567335066.db2.gz	YRGPDGHYQRLXEO-UHFFFAOYSA-N	-1	1	383.271	3.277	10	30		GGEEMM
N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c(F)c1	ZINC000568585161	567340685	/nfs/dbraw/zinc/34/06/85/567340685.db2.gz	WUMGVJJRMWYYNR-CQSZACIVSA-N	-1	1	376.306	3.260	10	30		GGEEMM
N#Cc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1	ZINC000435433611	567364939	/nfs/dbraw/zinc/36/49/39/567364939.db2.gz	SYDUGZZFUMAYSN-UHFFFAOYSA-N	-1	1	389.235	3.361	10	30		GGEEMM
C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1	ZINC000593203017	567397053	/nfs/dbraw/zinc/39/70/53/567397053.db2.gz	DLMNHVFDABEUAW-DEOSSOPVSA-N	-1	1	376.503	3.167	10	30		GGEEMM
C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000593210801	567397878	/nfs/dbraw/zinc/39/78/78/567397878.db2.gz	NAMKQGJHCRZEOW-XMMPIXPASA-N	-1	1	376.503	3.167	10	30		GGEEMM
C=C(C)C[C@H](NC(C)=O)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1	ZINC000664851209	567595073	/nfs/dbraw/zinc/59/50/73/567595073.db2.gz	TUHGIPBNNXPPHM-LBPRGKRZSA-N	-1	1	396.241	3.357	10	30		GGEEMM
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3[O-])sc2C1	ZINC000005901700	570461039	/nfs/dbraw/zinc/46/10/39/570461039.db2.gz	FNHZLOATHWWYPT-RNCFNFMXSA-N	-1	1	390.534	3.056	10	30		GGEEMM
Cc1sc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c(C#N)c1C	ZINC000032827209	570840817	/nfs/dbraw/zinc/84/08/17/570840817.db2.gz	PVEVSBBYPZIANX-UHFFFAOYSA-N	-1	1	393.490	3.257	10	30		GGEEMM
COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc(Cl)c1OC(C)C	ZINC000105640457	1411094470	/nfs/dbraw/zinc/09/44/70/1411094470.db2.gz	QNUJBTGCUVVXAZ-KEGWNNHHSA-N	-1	1	378.808	3.364	10	30		GGEEMM
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000129324692	1429326886	/nfs/dbraw/zinc/32/68/86/1429326886.db2.gz	DHDNOVUMDFWEMR-HNNXBMFYSA-N	-1	1	390.472	3.242	10	30		GGEEMM
C=CCOc1ccc(C=CC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1OC	ZINC001141846170	1426993421	/nfs/dbraw/zinc/99/34/21/1426993421.db2.gz	PPRXVMROKRPAFG-CSKARUKUSA-N	-1	1	391.431	3.016	10	30		GGEEMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc2ccccc2c1	ZINC000181816908	1430366414	/nfs/dbraw/zinc/36/64/14/1430366414.db2.gz	BQJMWUMJPIDYCA-IBGZPJMESA-N	-1	1	398.415	3.043	10	30		GGEEMM
COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc2ccccc2c1	ZINC000181816893	1430366637	/nfs/dbraw/zinc/36/66/37/1430366637.db2.gz	BQJMWUMJPIDYCA-LJQANCHMSA-N	-1	1	398.415	3.043	10	30		GGEEMM
C=CCn1c(CCc2nnn[n-]2)nnc1N1CCCC[C@H]1c1ccc(Cl)cc1	ZINC001121602415	1443339649	/nfs/dbraw/zinc/33/96/49/1443339649.db2.gz	XOTIOSFWZBRLSF-INIZCTEOSA-N	-1	1	398.902	3.147	10	30		GGEEMM