smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000005885282	204155518	/nfs/dbraw/zinc/15/55/18/204155518.db2.gz	PNBXHSYFYMATJM-UHFFFAOYSA-N	0	1	393.490	2.390	50	30		GEEAMN
N#Cc1ccc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1	ZINC000029231358	206056838	/nfs/dbraw/zinc/05/68/38/206056838.db2.gz	BSUOUEBJDSLKMU-UHFFFAOYSA-N	0	1	398.532	2.044	50	30		GEEAMN
C=CCN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc(OCC)cc3)N(C(C)=O)N2)C1=O	ZINC000009331493	518838604	/nfs/dbraw/zinc/83/86/04/518838604.db2.gz	CACPQXOQLOPYIF-SCDSTIRESA-N	0	1	398.419	2.242	50	30		GEEAMN
C=CCn1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cn1	ZINC000095508428	519278300	/nfs/dbraw/zinc/27/83/00/519278300.db2.gz	WNRXVPPOABPCKM-UHFFFAOYSA-N	0	1	380.496	2.078	50	30		GEEAMN
COC(=O)[C@@]1(O)C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1	ZINC000100779986	523843407	/nfs/dbraw/zinc/84/34/07/523843407.db2.gz	WOSXGIOYGIYJBX-IBGZPJMESA-N	0	1	387.775	2.243	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000102615598	525214171	/nfs/dbraw/zinc/21/41/71/525214171.db2.gz	PZKVOMMSGWXNMS-LFVOPCPISA-N	0	1	397.427	2.426	50	30		GEEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017145534	526023567	/nfs/dbraw/zinc/02/35/67/526023567.db2.gz	HLORPWLGJJFNHM-QGZVFWFLSA-N	0	1	382.372	2.474	50	30		GEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1	ZINC000102862903	526952142	/nfs/dbraw/zinc/95/21/42/526952142.db2.gz	OPOGQGCBNBFZDF-IBOXJLQUSA-N	0	1	386.335	2.148	50	30		GEEAMN
N#Cc1c(F)cccc1N1CCN(CCCc2nnnn2-c2ccccc2)CC1	ZINC000048287101	570227658	/nfs/dbraw/zinc/22/76/58/570227658.db2.gz	XMCDBVNRVHQMEO-UHFFFAOYSA-N	0	1	391.454	2.428	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(OC)cc2)cc1	ZINC000006294867	570476173	/nfs/dbraw/zinc/47/61/73/570476173.db2.gz	SGBRNPBHCUPWRO-SFHVURJKSA-N	0	1	383.400	2.274	50	30		GEEAMN
CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CC1	ZINC000328590534	570642044	/nfs/dbraw/zinc/64/20/44/570642044.db2.gz	WZNVLZPABPJGES-UHFFFAOYSA-N	0	1	399.469	2.132	50	30		GEEAMN
COc1ccccc1-c1n[nH]c(NC(=O)Cn2c3ccccc3n(C)c2=O)n1	ZINC000052778912	570816998	/nfs/dbraw/zinc/81/69/98/570816998.db2.gz	DNAYXVIMSVXXQW-UHFFFAOYSA-N	0	1	378.392	2.422	50	30		GEEAMN
CN1CCN(CC2(CNC(=O)c3ccc(-c4cccc(C#N)n4)cc3)CC2)CC1	ZINC000426661175	530071826	/nfs/dbraw/zinc/07/18/26/530071826.db2.gz	DGCMYUYEBABOKH-UHFFFAOYSA-N	0	1	389.503	2.378	50	30		GEEAMN
Cc1ccc(C(=N)NOC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1	ZINC000006797673	204207146	/nfs/dbraw/zinc/20/71/46/204207146.db2.gz	PDRPBEDXKGGXLG-UHFFFAOYSA-N	0	1	389.477	2.259	50	30		GEEAMN
Cc1cccc(Cc2nc(CCNS(=O)(=O)c3ccc(C#N)cc3)n[nH]2)c1	ZINC000064969804	206106812	/nfs/dbraw/zinc/10/68/12/206106812.db2.gz	WYCLEJZZHJIBID-UHFFFAOYSA-N	0	1	381.461	2.097	50	30		GEEAMN
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	ZINC000004812196	136193980	/nfs/dbraw/zinc/19/39/80/136193980.db2.gz	DTBZKPPLQHXOLR-HRCADAONSA-N	0	1	381.480	2.482	50	30		GEEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)ccc1O	ZINC000102716582	522915782	/nfs/dbraw/zinc/91/57/82/522915782.db2.gz	WIVZOJBRCPFUMR-LFVOPCPISA-N	0	1	396.443	2.384	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccnc1	ZINC000103922647	523788960	/nfs/dbraw/zinc/78/89/60/523788960.db2.gz	FLXAQNBMUIDTIY-SELCWUDQSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1ccc(CC(=N)NOC(=O)c2cc3c(c(OC)c2OC)OCO3)cc1	ZINC000085408770	523865584	/nfs/dbraw/zinc/86/55/84/523865584.db2.gz	QTYRPTDZWCFZSW-UHFFFAOYSA-N	0	1	388.376	2.113	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccco1	ZINC000020192551	570246536	/nfs/dbraw/zinc/24/65/36/570246536.db2.gz	JZGYQSNHJCDODD-GOSISDBHSA-N	0	1	398.415	2.191	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(O)cc1	ZINC000009244014	570553489	/nfs/dbraw/zinc/55/34/89/570553489.db2.gz	ISVNCFQAAYJQIC-INIZCTEOSA-N	0	1	389.429	2.041	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1F	ZINC000016736490	570932117	/nfs/dbraw/zinc/93/21/17/570932117.db2.gz	OOXXALLULIQKTP-SFHVURJKSA-N	0	1	399.422	2.369	50	30		GEEAMN
Nc1nonc1N=NCc1cc(Br)cc(Br)c1O	ZINC000004714583	204067463	/nfs/dbraw/zinc/06/74/63/204067463.db2.gz	RLXVCPWGRGTJRR-QLKAYGNNSA-N	0	1	376.996	2.328	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102873239	523375925	/nfs/dbraw/zinc/37/59/25/523375925.db2.gz	MCDQHQWGKFFCFF-GROYHEBESA-N	0	1	398.371	2.017	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccncc1	ZINC000103888011	523790643	/nfs/dbraw/zinc/79/06/43/523790643.db2.gz	WJYFSFISXQCGNQ-SELCWUDQSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1ccc(CC(=N)NOC(=O)c2cc(OC)c3c(c2OC)OCO3)cc1	ZINC000085408766	523864664	/nfs/dbraw/zinc/86/46/64/523864664.db2.gz	ZDXZFCPDWRMTFV-UHFFFAOYSA-N	0	1	388.376	2.113	50	30		GEEAMN
COc1ccccc1[C@H](NC(=O)C(C#N)c1nc(C)cc(C)n1)c1nccn1C	ZINC000095453881	524795303	/nfs/dbraw/zinc/79/53/03/524795303.db2.gz	ZJWRMZLYODJGHC-WMZOPIPTSA-N	0	1	390.447	2.349	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000104078330	525213704	/nfs/dbraw/zinc/21/37/04/525213704.db2.gz	MVEDUOLLQUIYAL-SELCWUDQSA-N	0	1	383.400	2.118	50	30		GEEAMN
N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1	ZINC000002312818	526491567	/nfs/dbraw/zinc/49/15/67/526491567.db2.gz	NZPJMARDDMPUDH-QGZVFWFLSA-N	0	1	387.443	2.390	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)s1	ZINC000102485974	526688075	/nfs/dbraw/zinc/68/80/75/526688075.db2.gz	ZNSSNINYFDWFIG-DPEHCCBOSA-N	0	1	386.477	2.138	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1	ZINC000013732488	527606298	/nfs/dbraw/zinc/60/62/98/527606298.db2.gz	BGHBRMCQGJUTMX-SFHVURJKSA-N	0	1	382.464	2.177	50	30		GEEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CC3)C1=O)O2	ZINC000263584788	570900232	/nfs/dbraw/zinc/90/02/32/570900232.db2.gz	ARLOPIWKOQSOPK-PBAKHKOTSA-N	0	1	383.400	2.321	50	30		GEEAMN
O=C1CSC(NN=Cc2ccccc2OS(=O)(=O)c2ccccc2)=N1	ZINC000015985752	531568101	/nfs/dbraw/zinc/56/81/01/531568101.db2.gz	GVTVKGZECYOPEB-UHFFFAOYSA-N	0	1	375.431	2.007	50	30		GEEAMN
N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1	ZINC000039930138	205043780	/nfs/dbraw/zinc/04/37/80/205043780.db2.gz	TUKQTHNAIZZPQF-UHFFFAOYSA-N	0	1	392.459	2.433	50	30		GEEAMN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc(C#N)c1	ZINC000007505387	221000163	/nfs/dbraw/zinc/00/01/63/221000163.db2.gz	GDLYCQOUWCBXMQ-UHFFFAOYSA-N	0	1	376.390	2.163	50	30		GEEAMN
N#Cc1ccc(N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2=O)cc1	ZINC000082146393	136174151	/nfs/dbraw/zinc/17/41/51/136174151.db2.gz	NYLAGOMAQBEXPO-UHFFFAOYSA-N	0	1	378.432	2.236	50	30		GEEAMN
C=CCCC(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020782173	518692021	/nfs/dbraw/zinc/69/20/21/518692021.db2.gz	XIQLNOKNWWJHPI-IBGZPJMESA-N	0	1	385.508	2.490	50	30		GEEAMN
C=CCOC[C@H](O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1	ZINC000034667979	518995102	/nfs/dbraw/zinc/99/51/02/518995102.db2.gz	HEHAHKCHZVRQAQ-HXUWFJFHSA-N	0	1	396.491	2.019	50	30		GEEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013725744	524109531	/nfs/dbraw/zinc/10/95/31/524109531.db2.gz	NYQQHZYZEWCTQW-GOSISDBHSA-N	0	1	398.463	2.175	50	30		GEEAMN
Cc1c(C#N)c2nc3ccccc3n2c(O)c1CCC(=O)NCCc1cnc[nH]1	ZINC000015919762	570290545	/nfs/dbraw/zinc/29/05/45/570290545.db2.gz	VSGMSHACSFSCAY-UHFFFAOYSA-N	0	1	388.431	2.388	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O	ZINC000091807783	570924634	/nfs/dbraw/zinc/92/46/34/570924634.db2.gz	YSFOWKSDGJSKAS-NRFANRHFSA-N	0	1	382.464	2.222	50	30		GEEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O	ZINC000004680194	531516121	/nfs/dbraw/zinc/51/61/21/531516121.db2.gz	PYELENKDPBPURB-POHAHGRESA-N	0	1	395.209	2.201	50	30		GEEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013725740	524171052	/nfs/dbraw/zinc/17/10/52/524171052.db2.gz	NYQQHZYZEWCTQW-SFHVURJKSA-N	0	1	398.463	2.175	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C	ZINC000040007687	525404486	/nfs/dbraw/zinc/40/44/86/525404486.db2.gz	VQXBRHLVFSDHLP-IBGZPJMESA-N	0	1	384.455	2.354	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)c1	ZINC000016956601	525782022	/nfs/dbraw/zinc/78/20/22/525782022.db2.gz	GTWRMBARSLRQSN-GOSISDBHSA-N	0	1	381.432	2.230	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(O)c1	ZINC000009374926	526833552	/nfs/dbraw/zinc/83/35/52/526833552.db2.gz	UMMVHEVCQAOGLJ-MRXNPFEDSA-N	0	1	389.429	2.041	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000013692715	527222960	/nfs/dbraw/zinc/22/29/60/527222960.db2.gz	CPZTUFCMNCHNJA-GOSISDBHSA-N	0	1	398.438	2.372	50	30		GEEAMN
CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccnc1N1CCN(C)CC1	ZINC000058283520	536465096	/nfs/dbraw/zinc/46/50/96/536465096.db2.gz	IXXFQDJMCGOEPG-UHFFFAOYSA-N	0	1	378.480	2.047	50	30		GEEAMN
O=C1CS/C(=N/N=C/c2cc(Br)cc(Br)c2O)N1	ZINC000005065632	570409996	/nfs/dbraw/zinc/40/99/96/570409996.db2.gz	XNOWWTBMMKXRCZ-QLKAYGNNSA-N	0	1	393.060	2.470	50	30		GEEAMN
CCOc1cc(C=Nn2c(=O)c(C)n[nH]c2=S)cc(Br)c1O	ZINC000103651273	570887764	/nfs/dbraw/zinc/88/77/64/570887764.db2.gz	BAGSIYHXZIDVHV-GIDUJCDVSA-N	0	1	385.243	2.358	50	30		GEEAMN
C=CCn1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(C)n1	ZINC000095520244	570996175	/nfs/dbraw/zinc/99/61/75/570996175.db2.gz	MYYUCJCCGLJPER-UHFFFAOYSA-N	0	1	394.523	2.387	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019883174	521758870	/nfs/dbraw/zinc/75/88/70/521758870.db2.gz	CTXJVAHXGOUSBZ-MRXNPFEDSA-N	0	1	385.376	2.328	50	30		GEEAMN
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1	ZINC000013809985	523914660	/nfs/dbraw/zinc/91/46/60/523914660.db2.gz	DTBZKPPLQHXOLR-OWCLPIDISA-N	0	1	381.480	2.482	50	30		GEEAMN
COc1ccccc1[C@@H](NC(=O)C(C#N)c1nc(C)cc(C)n1)c1nccn1C	ZINC000095453883	524738701	/nfs/dbraw/zinc/73/87/01/524738701.db2.gz	ZJWRMZLYODJGHC-FUHWJXTLSA-N	0	1	390.447	2.349	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1	ZINC000019582768	525781755	/nfs/dbraw/zinc/78/17/55/525781755.db2.gz	CXFITLZBXHTPFV-GOSISDBHSA-N	0	1	381.432	2.230	50	30		GEEAMN
CN1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000026873888	570449620	/nfs/dbraw/zinc/44/96/20/570449620.db2.gz	BZOAQWFPODSEGH-OAQYLSRUSA-N	0	1	398.532	2.215	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000006294862	570476062	/nfs/dbraw/zinc/47/60/62/570476062.db2.gz	SGBRNPBHCUPWRO-GOSISDBHSA-N	0	1	383.400	2.274	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)c(C)n1	ZINC000013683891	570668649	/nfs/dbraw/zinc/66/86/49/570668649.db2.gz	QBVWIVCMIWCPTD-SFHVURJKSA-N	0	1	398.438	2.372	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccncc1	ZINC000016737461	570932070	/nfs/dbraw/zinc/93/20/70/570932070.db2.gz	PULOTTXPKJJELE-SFHVURJKSA-N	0	1	396.399	2.078	50	30		GEEAMN
CCc1ccc(N2C(=O)C(=CNc3ccc(OC)cn3)C(=O)NC2=S)cc1	ZINC000004738583	204071102	/nfs/dbraw/zinc/07/11/02/204071102.db2.gz	QFBNJFWKKYNXSO-UGVMZYNRSA-N	0	1	382.445	2.419	50	30		GEEAMN
CCOC(=O)NC(=O)C(C#N)/C=N\OCCOc1cccc(C(F)(F)F)c1	ZINC000005196097	204118495	/nfs/dbraw/zinc/11/84/95/204118495.db2.gz	NNQDNAXLALNNHC-VARIZKOUSA-N	0	1	387.314	2.499	50	30		GEEAMN
CCOC(=O)NC(=O)[C@H](C#N)/C=N\OCCOc1cccc(C(F)(F)F)c1	ZINC000005196097	204118499	/nfs/dbraw/zinc/11/84/99/204118499.db2.gz	NNQDNAXLALNNHC-VARIZKOUSA-N	0	1	387.314	2.499	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006812694	204212156	/nfs/dbraw/zinc/21/21/56/204212156.db2.gz	NFEFJZYLPDURSY-IBOXJLQUSA-N	0	1	385.376	2.171	50	30		GEEAMN
Cc1ccc(CN(CCC(=O)N2CCNCC2)C(=O)c2ccc(C#N)cc2)cc1	ZINC000045966610	205100500	/nfs/dbraw/zinc/10/05/00/205100500.db2.gz	HBFLWBVPJGHOSP-UHFFFAOYSA-N	0	1	390.487	2.331	50	30		GEEAMN
COC(=O)c1ccc(NC(=O)CCN2CCc3c(cnc(C)c3C#N)C2)cc1	ZINC000065536433	205238345	/nfs/dbraw/zinc/23/83/45/205238345.db2.gz	DJCGAVPYOBXZNT-UHFFFAOYSA-N	0	1	378.432	2.435	50	30		GEEAMN
C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1	ZINC000034677075	518717612	/nfs/dbraw/zinc/71/76/12/518717612.db2.gz	OFLVEDMBPLMCJX-LJQANCHMSA-N	0	1	398.507	2.049	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccnc1	ZINC000103922641	523789719	/nfs/dbraw/zinc/78/97/19/523789719.db2.gz	FLXAQNBMUIDTIY-GHNGSUTGSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1	ZINC000013726421	524296852	/nfs/dbraw/zinc/29/68/52/524296852.db2.gz	QRMPYPWIRKZFDX-GOSISDBHSA-N	0	1	399.422	2.369	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1	ZINC000102746576	524297167	/nfs/dbraw/zinc/29/71/67/524297167.db2.gz	XCUKWZZEZOULRS-SELCWUDQSA-N	0	1	399.422	2.213	50	30		GEEAMN
COc1ccccc1[C@@H](NC(=O)C(C#N)c1nc(C)cc(C)n1)c1nccn1C	ZINC000095453882	524738537	/nfs/dbraw/zinc/73/85/37/524738537.db2.gz	ZJWRMZLYODJGHC-SJLPKXTDSA-N	0	1	390.447	2.349	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000005445757	525223472	/nfs/dbraw/zinc/22/34/72/525223472.db2.gz	USTMHFHGUUEOSL-GOSISDBHSA-N	0	1	383.400	2.274	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)c(OC)c1	ZINC000102877651	525383033	/nfs/dbraw/zinc/38/30/33/525383033.db2.gz	GUAINKMZCRCLKN-GHNGSUTGSA-N	0	1	383.400	2.118	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1	ZINC000102744606	526483968	/nfs/dbraw/zinc/48/39/68/526483968.db2.gz	ZXRUVTNIMSYIBY-HVESIFNPSA-N	0	1	386.427	2.149	50	30		GEEAMN
O=C1CSC(NN=Cc2ccccc2OS(=O)(=O)c2ccccc2)=N1	ZINC000005684513	527017227	/nfs/dbraw/zinc/01/72/27/527017227.db2.gz	GVTVKGZECYOPEB-LICLKQGHSA-N	0	1	375.431	2.007	50	30		GEEAMN
CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)ccc1O	ZINC000002481493	570288207	/nfs/dbraw/zinc/28/82/07/570288207.db2.gz	HSJTZQRWWFCFPX-SFHVURJKSA-N	0	1	383.400	2.362	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000005799874	570692926	/nfs/dbraw/zinc/69/29/26/570692926.db2.gz	GXSDLCPZPMWEJV-SELCWUDQSA-N	0	1	381.432	2.074	50	30		GEEAMN
Cc1ccc(C(=O)C2=C3NCCN3C(=O)C2CC(=O)Nc2ccccc2)cc1	ZINC000103017689	570873543	/nfs/dbraw/zinc/87/35/43/570873543.db2.gz	YXYQCVDNVNVXEA-QGZVFWFLSA-N	0	1	375.428	2.480	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O	ZINC000091807782	570924328	/nfs/dbraw/zinc/92/43/28/570924328.db2.gz	YSFOWKSDGJSKAS-OAQYLSRUSA-N	0	1	382.464	2.222	50	30		GEEAMN
C=CCN1CC[C@]2(CN(C(=O)NCc3cccs3)CCN2C)CCC1=O	ZINC000091604117	570984214	/nfs/dbraw/zinc/98/42/14/570984214.db2.gz	KMYBKQAHTVZKBN-IBGZPJMESA-N	0	1	376.526	2.142	50	30		GEEAMN
N#Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000007056102	204230797	/nfs/dbraw/zinc/23/07/97/204230797.db2.gz	BTPRKEJPQBSWDQ-UHFFFAOYSA-N	0	1	391.474	2.144	50	30		GEEAMN
CN1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000046813062	205107969	/nfs/dbraw/zinc/10/79/69/205107969.db2.gz	BZOAQWFPODSEGH-NRFANRHFSA-N	0	1	398.532	2.215	50	30		GEEAMN
COc1ccc(-c2nc(SCC(=O)NCC(F)(F)F)[nH]c(=O)c2C#N)cc1	ZINC000030587771	206075613	/nfs/dbraw/zinc/07/56/13/206075613.db2.gz	WSETXGWTAQPPMQ-UHFFFAOYSA-N	0	1	398.366	2.088	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)c1	ZINC000016956602	525782939	/nfs/dbraw/zinc/78/29/39/525782939.db2.gz	GTWRMBARSLRQSN-SFHVURJKSA-N	0	1	381.432	2.230	50	30		GEEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102930719	525945519	/nfs/dbraw/zinc/94/55/19/525945519.db2.gz	JBFQVZNVAZZZLW-GROYHEBESA-N	0	1	382.372	2.317	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c(C)n1	ZINC000102751353	527218384	/nfs/dbraw/zinc/21/83/84/527218384.db2.gz	OLADHBXCMCDABO-UYTDBDHRSA-N	0	1	386.477	2.138	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c(C)n1	ZINC000102742952	527219077	/nfs/dbraw/zinc/21/90/77/527219077.db2.gz	ZZVODQLIRNEYSZ-SELCWUDQSA-N	0	1	398.438	2.216	50	30		GEEAMN
C=CCn1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1C	ZINC000095517110	570996100	/nfs/dbraw/zinc/99/61/00/570996100.db2.gz	FNBDIUKQNXPQDU-UHFFFAOYSA-N	0	1	394.523	2.387	50	30		GEEAMN
CCn1c(Cn2cccn2)nnc1C1CCN(Cc2cc(C#N)n(C)c2)CC1	ZINC000091932582	571036688	/nfs/dbraw/zinc/03/66/88/571036688.db2.gz	MTUDQIUOZOBUPC-UHFFFAOYSA-N	0	1	378.484	2.133	50	30		GEEAMN
N#Cc1cc2n(n1)CCCN(C(=O)NCCCc1nc3ccc(F)cc3[nH]1)C2	ZINC000426700057	231254743	/nfs/dbraw/zinc/25/47/43/231254743.db2.gz	OWWLHOLUIFIJDR-UHFFFAOYSA-N	0	1	381.415	2.318	50	30		GEEAMN
C=CCNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000012714231	206245814	/nfs/dbraw/zinc/24/58/14/206245814.db2.gz	LJIZHNDHWHAKPJ-NRFANRHFSA-N	0	1	377.488	2.311	50	30		GEEAMN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000009154062	221071445	/nfs/dbraw/zinc/07/14/45/221071445.db2.gz	IMUICUYJSDSJSV-UHFFFAOYSA-N	0	1	376.390	2.163	50	30		GEEAMN
C=CCn1cnnc1SCC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC	ZINC000014197475	519285520	/nfs/dbraw/zinc/28/55/20/519285520.db2.gz	WOKZVJOGKJTKOW-MRXNPFEDSA-N	0	1	399.476	2.428	50	30		GEEAMN
COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/O	ZINC000100278447	521915127	/nfs/dbraw/zinc/91/51/27/521915127.db2.gz	SXTVVRDTFBXEHR-JQIJEIRASA-N	0	1	388.248	2.405	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1F	ZINC000102737620	523374432	/nfs/dbraw/zinc/37/44/32/523374432.db2.gz	BKHDVAMHLVVYCP-SELCWUDQSA-N	0	1	399.422	2.213	50	30		GEEAMN
COc1ccc(NC(=N)NC(=N)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000005986526	524450414	/nfs/dbraw/zinc/45/04/14/524450414.db2.gz	SABYEFFUGTUHNJ-UHFFFAOYSA-N	0	1	393.451	2.076	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1	ZINC000019582770	525781620	/nfs/dbraw/zinc/78/16/20/525781620.db2.gz	CXFITLZBXHTPFV-SFHVURJKSA-N	0	1	381.432	2.230	50	30		GEEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102930718	525945201	/nfs/dbraw/zinc/94/52/01/525945201.db2.gz	JBFQVZNVAZZZLW-HVESIFNPSA-N	0	1	382.372	2.317	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(F)cc1	ZINC000013161720	526834103	/nfs/dbraw/zinc/83/41/03/526834103.db2.gz	WZFZDNREJIQRFV-INIZCTEOSA-N	0	1	391.420	2.474	50	30		GEEAMN
O=C1CSC(NN=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)=N1	ZINC000005901426	527016290	/nfs/dbraw/zinc/01/62/90/527016290.db2.gz	YLNVJYSBHOGELR-LICLKQGHSA-N	0	1	375.431	2.007	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1	ZINC000102744034	527602596	/nfs/dbraw/zinc/60/25/96/527602596.db2.gz	MCSIGRWTQPTVAX-SELCWUDQSA-N	0	1	382.464	2.020	50	30		GEEAMN
Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)NCCC#N)c3)cc2[nH]1	ZINC000012823454	570253095	/nfs/dbraw/zinc/25/30/95/570253095.db2.gz	SENAABCKKSKLPL-UHFFFAOYSA-N	0	1	383.433	2.316	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)s1	ZINC000006812782	570617205	/nfs/dbraw/zinc/61/72/05/570617205.db2.gz	VOPWWKUNDVMPPF-HNNXBMFYSA-N	0	1	386.477	2.295	50	30		GEEAMN
Cc1ccc(CN(CC(=O)N2CCNCC2)C(=O)c2cccc(C#N)c2)cc1C	ZINC000033032910	570670031	/nfs/dbraw/zinc/67/00/31/570670031.db2.gz	WSBQAAMBQBFYDA-UHFFFAOYSA-N	0	1	390.487	2.249	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000005799902	570693095	/nfs/dbraw/zinc/69/30/95/570693095.db2.gz	GXSDLCPZPMWEJV-GHNGSUTGSA-N	0	1	381.432	2.074	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccncc1	ZINC000016737463	230896909	/nfs/dbraw/zinc/89/69/09/230896909.db2.gz	PULOTTXPKJJELE-GOSISDBHSA-N	0	1	396.399	2.078	50	30		GEEAMN
C=CCOC[C@H](O)CN[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160724	518995482	/nfs/dbraw/zinc/99/54/82/518995482.db2.gz	ILWKYBQHDDJWRK-CVEARBPZSA-N	0	1	376.413	2.495	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c(C)c1	ZINC000102699928	523375665	/nfs/dbraw/zinc/37/56/65/523375665.db2.gz	GJDPGCRUCNGDBR-WOOAAIBNSA-N	0	1	395.459	2.382	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1F	ZINC000102737623	523375792	/nfs/dbraw/zinc/37/57/92/523375792.db2.gz	BKHDVAMHLVVYCP-GHNGSUTGSA-N	0	1	399.422	2.213	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000019923513	523559796	/nfs/dbraw/zinc/55/97/96/523559796.db2.gz	WVLBHQANYRLHDB-IBGZPJMESA-N	0	1	396.443	2.332	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1	ZINC000103894116	523789120	/nfs/dbraw/zinc/78/91/20/523789120.db2.gz	DEAOVNRSDOYZES-SELCWUDQSA-N	0	1	383.400	2.469	50	30		GEEAMN
COC(=O)[C@]1(O)C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1	ZINC000100779983	524017482	/nfs/dbraw/zinc/01/74/82/524017482.db2.gz	WOSXGIOYGIYJBX-LJQANCHMSA-N	0	1	387.775	2.243	50	30		GEEAMN
Cc1ccc(NC(=O)CC2C(=O)N3CCNC3=C2C(=O)c2ccccc2)cc1	ZINC000102398105	525090637	/nfs/dbraw/zinc/09/06/37/525090637.db2.gz	KRGKUSGRTISTKY-QGZVFWFLSA-N	0	1	375.428	2.480	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013736049	525218121	/nfs/dbraw/zinc/21/81/21/525218121.db2.gz	SJCHNLPJPJQIGM-GOSISDBHSA-N	0	1	398.463	2.175	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)s1	ZINC000017995141	526690374	/nfs/dbraw/zinc/69/03/74/526690374.db2.gz	YSLSYZMVGWMNQV-AWEZNQCLSA-N	0	1	375.450	2.493	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(F)cc1	ZINC000102562565	526952308	/nfs/dbraw/zinc/95/23/08/526952308.db2.gz	QQXGANUYFAPABL-IBOXJLQUSA-N	0	1	391.420	2.318	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)c(C)n1	ZINC000102735978	527218805	/nfs/dbraw/zinc/21/88/05/527218805.db2.gz	DQLAJIYTOXWRHF-GHNGSUTGSA-N	0	1	398.438	2.216	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c(C)n1	ZINC000020713950	527223189	/nfs/dbraw/zinc/22/31/89/527223189.db2.gz	YHJBUHWQIBXBHY-INIZCTEOSA-N	0	1	386.477	2.295	50	30		GEEAMN
Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1C(N)=O	ZINC000028244131	527291787	/nfs/dbraw/zinc/29/17/87/527291787.db2.gz	NLECTMBYSREBGV-UHFFFAOYSA-N	0	1	385.470	2.386	50	30		GEEAMN
COC(=O)C1=C(O)C(=CNCCc2ccc(OC)c(OC)c2)C(=O)CC1(C)C	ZINC000100318991	570270922	/nfs/dbraw/zinc/27/09/22/570270922.db2.gz	KHVCOTSEDNAVFW-QIXNEVBVSA-N	0	1	389.448	2.077	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)c(OC)c1	ZINC000006420299	570479480	/nfs/dbraw/zinc/47/94/80/570479480.db2.gz	JVWOHBMDRSVBAQ-SFHVURJKSA-N	0	1	383.400	2.274	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1	ZINC000006739833	570563042	/nfs/dbraw/zinc/56/30/42/570563042.db2.gz	XOXROQXJVIKIPE-QGZVFWFLSA-N	0	1	398.371	2.174	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c(C)n1	ZINC000013683895	570668742	/nfs/dbraw/zinc/66/87/42/570668742.db2.gz	QBVWIVCMIWCPTD-GOSISDBHSA-N	0	1	398.438	2.372	50	30		GEEAMN
CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000012520880	570827598	/nfs/dbraw/zinc/82/75/98/570827598.db2.gz	QSCDQJMUKYJKDI-UHFFFAOYSA-N	0	1	379.463	2.047	50	30		GEEAMN
N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cn1	ZINC000095993079	206299810	/nfs/dbraw/zinc/29/98/10/206299810.db2.gz	ZIRZRJPEUMDGOH-OAHLLOKOSA-N	0	1	394.460	2.307	50	30		GEEAMN
CN1CCN(C(=O)c2ccc(C#N)cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2	ZINC000095355177	208156792	/nfs/dbraw/zinc/15/67/92/208156792.db2.gz	VRZRYFCZILKJBG-QFIPXVFZSA-N	0	1	380.492	2.107	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1C	ZINC000102698734	523372946	/nfs/dbraw/zinc/37/29/46/523372946.db2.gz	BVNQTNYWPUUPON-WOOAAIBNSA-N	0	1	395.459	2.382	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccco1	ZINC000102736385	524295473	/nfs/dbraw/zinc/29/54/73/524295473.db2.gz	HPMPUILUOHMEED-HVESIFNPSA-N	0	1	388.395	2.411	50	30		GEEAMN
COc1ccccc1[C@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCN(C)C	ZINC000013725526	524803791	/nfs/dbraw/zinc/80/37/91/524803791.db2.gz	LNRAWWBJVRDUHE-SFHVURJKSA-N	0	1	398.463	2.175	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102737429	525382135	/nfs/dbraw/zinc/38/21/35/525382135.db2.gz	ZOYHOWFHNAGOAH-GHNGSUTGSA-N	0	1	398.463	2.018	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1cccc(F)c1)N(C)C	ZINC000040007689	525403910	/nfs/dbraw/zinc/40/39/10/525403910.db2.gz	VQXBRHLVFSDHLP-LJQANCHMSA-N	0	1	384.455	2.354	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(F)cc1	ZINC000009360545	526833755	/nfs/dbraw/zinc/83/37/55/526833755.db2.gz	WZFZDNREJIQRFV-MRXNPFEDSA-N	0	1	391.420	2.474	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(C)n1	ZINC000102737839	527218729	/nfs/dbraw/zinc/21/87/29/527218729.db2.gz	KJJOXPMNJSQTRW-SELCWUDQSA-N	0	1	380.448	2.077	50	30		GEEAMN
O=C(C=Cc1ccccc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc2c(c1)OCO2	ZINC000004635124	527628794	/nfs/dbraw/zinc/62/87/94/527628794.db2.gz	VNKYYWXEQZHMKJ-CPSHHHPTSA-N	0	1	393.395	2.386	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)c(OC)c1	ZINC000006420296	570479567	/nfs/dbraw/zinc/47/95/67/570479567.db2.gz	JVWOHBMDRSVBAQ-GOSISDBHSA-N	0	1	383.400	2.274	50	30		GEEAMN
Cc1ccc(NC(=O)CC2C(=O)N3CCNC3=C2C(=O)c2ccccc2)cc1	ZINC000006936074	570534653	/nfs/dbraw/zinc/53/46/53/570534653.db2.gz	KRGKUSGRTISTKY-KRWDZBQOSA-N	0	1	375.428	2.480	50	30		GEEAMN
C#CCOC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098502	570536696	/nfs/dbraw/zinc/53/66/96/570536696.db2.gz	GHZLKJJMLZGCFM-IBGZPJMESA-N	0	1	383.444	2.437	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1F	ZINC000013687078	570669159	/nfs/dbraw/zinc/66/91/59/570669159.db2.gz	YZKCTJSQXUDLMR-GOSISDBHSA-N	0	1	399.422	2.369	50	30		GEEAMN
COC(=O)c1cccc(N=Cc2c(=O)[nH]c(=O)n(-c3ccc(F)cc3)c2O)c1C	ZINC000101649272	570828591	/nfs/dbraw/zinc/82/85/91/570828591.db2.gz	CIAUUAMQVJVOHR-LSHDLFTRSA-N	0	1	397.362	2.216	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccco1	ZINC000006412330	570895345	/nfs/dbraw/zinc/89/53/45/570895345.db2.gz	PZEPFLSRTGTVFY-GHNGSUTGSA-N	0	1	398.415	2.034	50	30		GEEAMN
COc1ccccc1[C@@H](C#Cc1ccccc1)N1CCN(CCC(N)=O)CC1	ZINC000096162914	570998883	/nfs/dbraw/zinc/99/88/83/570998883.db2.gz	MPDHMZCIQAADJL-OAQYLSRUSA-N	0	1	377.488	2.281	50	30		GEEAMN
Cc1ccc(C#N)c(N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)n1	ZINC000091550829	136176678	/nfs/dbraw/zinc/17/66/78/136176678.db2.gz	YLBHJHGDICZWCC-OAQYLSRUSA-N	0	1	378.480	2.437	50	30		GEEAMN
C=CCOC[C@H](O)CN[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160728	518995794	/nfs/dbraw/zinc/99/57/94/518995794.db2.gz	ILWKYBQHDDJWRK-HZPDHXFCSA-N	0	1	376.413	2.495	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000020229185	523554804	/nfs/dbraw/zinc/55/48/04/523554804.db2.gz	JCEXFEQHKPUTPG-GOSISDBHSA-N	0	1	381.432	2.230	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000104078334	525383639	/nfs/dbraw/zinc/38/36/39/525383639.db2.gz	MVEDUOLLQUIYAL-GHNGSUTGSA-N	0	1	383.400	2.118	50	30		GEEAMN
Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC3=NC(=O)CS3)cc2)cc1	ZINC000004589937	525626534	/nfs/dbraw/zinc/62/65/34/525626534.db2.gz	OVDYSETYMAUYRV-VCHYOVAHSA-N	0	1	389.458	2.316	50	30		GEEAMN
O=C(ON=c1[nH]c2nonc2nc1NOC(=O)c1ccccc1)c1ccccc1	ZINC000017293313	526432929	/nfs/dbraw/zinc/43/29/29/526432929.db2.gz	PLKXSOUCOFLNSI-UHFFFAOYSA-N	0	1	392.331	2.381	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(F)c1	ZINC000102749385	526482699	/nfs/dbraw/zinc/48/26/99/526482699.db2.gz	NRYZDABQLMKYRU-GROYHEBESA-N	0	1	386.427	2.149	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c(C)n1	ZINC000102751355	527219236	/nfs/dbraw/zinc/21/92/36/527219236.db2.gz	OLADHBXCMCDABO-IBOXJLQUSA-N	0	1	386.477	2.138	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c(C)n1	ZINC000013725034	527223693	/nfs/dbraw/zinc/22/36/93/527223693.db2.gz	ISIUFWHHQRXYNH-GOSISDBHSA-N	0	1	398.438	2.372	50	30		GEEAMN
CCOC(=O)NC(=O)C(C#N)/C=N\OCCOc1cccc(C(F)(F)F)c1	ZINC000005196104	570431110	/nfs/dbraw/zinc/43/11/10/570431110.db2.gz	NNQDNAXLALNNHC-GVHCZZSVSA-N	0	1	387.314	2.499	50	30		GEEAMN
CCOC(=O)NC(=O)[C@@H](C#N)/C=N\OCCOc1cccc(C(F)(F)F)c1	ZINC000005196104	570431113	/nfs/dbraw/zinc/43/11/13/570431113.db2.gz	NNQDNAXLALNNHC-GVHCZZSVSA-N	0	1	387.314	2.499	50	30		GEEAMN
CCc1ccc2[nH]c(C(C#N)=C3NS(=O)(=O)c4ccccc43)nc(=O)c2c1	ZINC000005266713	570533816	/nfs/dbraw/zinc/53/38/16/570533816.db2.gz	SBJFGLRZORNJAJ-CQSZACIVSA-N	0	1	378.413	2.284	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)s1	ZINC000006812799	570617023	/nfs/dbraw/zinc/61/70/23/570617023.db2.gz	YSLSYZMVGWMNQV-CQSZACIVSA-N	0	1	375.450	2.493	50	30		GEEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)cc2)cc1	ZINC000015920112	570908245	/nfs/dbraw/zinc/90/82/45/570908245.db2.gz	CZWVXZXLGDWJRQ-SFHVURJKSA-N	0	1	383.400	2.362	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1F	ZINC000016736487	570931840	/nfs/dbraw/zinc/93/18/40/570931840.db2.gz	OOXXALLULIQKTP-GOSISDBHSA-N	0	1	399.422	2.369	50	30		GEEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017145536	207086090	/nfs/dbraw/zinc/08/60/90/207086090.db2.gz	HLORPWLGJJFNHM-KRWDZBQOSA-N	0	1	382.372	2.474	50	30		GEEAMN
N#Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3n[nH]c4ccccc43)C2)cn1	ZINC000095499276	208200798	/nfs/dbraw/zinc/20/07/98/208200798.db2.gz	YRQKMDNGNHHEGB-CQSZACIVSA-N	0	1	388.431	2.112	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000020229187	523559741	/nfs/dbraw/zinc/55/97/41/523559741.db2.gz	JCEXFEQHKPUTPG-SFHVURJKSA-N	0	1	381.432	2.230	50	30		GEEAMN
COc1ccccc1[C@H](NC(=O)C(C#N)c1nc(C)cc(C)n1)c1nccn1C	ZINC000095453880	524798698	/nfs/dbraw/zinc/79/86/98/524798698.db2.gz	ZJWRMZLYODJGHC-AEFFLSMTSA-N	0	1	390.447	2.349	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)c1	ZINC000102884704	525758065	/nfs/dbraw/zinc/75/80/65/525758065.db2.gz	JLUQYZSTCGMKRZ-GHNGSUTGSA-N	0	1	381.432	2.074	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1	ZINC000013726588	526485107	/nfs/dbraw/zinc/48/51/07/526485107.db2.gz	CUVMGUDIVUDDTB-QGZVFWFLSA-N	0	1	386.427	2.306	50	30		GEEAMN
N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1	ZINC000002312817	526505521	/nfs/dbraw/zinc/50/55/21/526505521.db2.gz	NZPJMARDDMPUDH-KRWDZBQOSA-N	0	1	387.443	2.390	50	30		GEEAMN
Cc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1[N+](=O)[O-]	ZINC000024578448	570912905	/nfs/dbraw/zinc/91/29/05/570912905.db2.gz	UZRQCVRXKNYHBQ-UHFFFAOYSA-N	0	1	398.404	2.344	50	30		GEEAMN
O=C1CSC(NN=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)=N1	ZINC000013140455	642374721	/nfs/dbraw/zinc/37/47/21/642374721.db2.gz	YLNVJYSBHOGELR-UHFFFAOYSA-N	0	1	375.431	2.007	50	30		GEEAMN
Cc1ccc(C#N)c(N2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)n1	ZINC000091550831	136176652	/nfs/dbraw/zinc/17/66/52/136176652.db2.gz	YLBHJHGDICZWCC-NRFANRHFSA-N	0	1	378.480	2.437	50	30		GEEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)cc1	ZINC000002481516	534242816	/nfs/dbraw/zinc/24/28/16/534242816.db2.gz	JRQHPWJSRXMKDG-SCLBCKFNSA-N	0	1	395.411	2.432	50	30		GEEAMN
C=CCCC(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1	ZINC000020782170	518692834	/nfs/dbraw/zinc/69/28/34/518692834.db2.gz	XIQLNOKNWWJHPI-LJQANCHMSA-N	0	1	385.508	2.490	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1F	ZINC000013724526	526485305	/nfs/dbraw/zinc/48/53/05/526485305.db2.gz	UWWHVVHUVKAZHG-QGZVFWFLSA-N	0	1	386.427	2.306	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c(C)n1	ZINC000102737837	527219293	/nfs/dbraw/zinc/21/92/93/527219293.db2.gz	KJJOXPMNJSQTRW-GHNGSUTGSA-N	0	1	380.448	2.077	50	30		GEEAMN
C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000005574079	570656664	/nfs/dbraw/zinc/65/66/64/570656664.db2.gz	RDHGBWLSSKODNP-LBPRGKRZSA-N	0	1	387.417	2.114	50	30		GEEAMN
C=CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)C[C@]2(C(=O)[O-])C1	ZINC000096153344	570998905	/nfs/dbraw/zinc/99/89/05/570998905.db2.gz	PDVQOGDGRPUSMT-CRAIPNDOSA-N	0	1	382.382	2.279	50	30		GEEAMN
CCOC(=O)CN1C(=O)C(=O)C(C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000001438272	206381815	/nfs/dbraw/zinc/38/18/15/206381815.db2.gz	VJXMAJFPWGBLMJ-CQSZACIVSA-N	0	1	382.210	2.297	50	30		GEEAMN
N#Cc1ccccc1N1C[C@H](Cc2ccccc2)N(C(=O)c2ccn[nH]2)CC1=O	ZINC000077287309	208037017	/nfs/dbraw/zinc/03/70/17/208037017.db2.gz	XSZWKJGTFTYRLL-SFHVURJKSA-N	0	1	385.427	2.382	50	30		GEEAMN
CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C#N)cc1)CC2	ZINC000091381039	208117175	/nfs/dbraw/zinc/11/71/75/208117175.db2.gz	GKEHJMMWAJVWMD-UHFFFAOYSA-N	0	1	377.448	2.208	50	30		GEEAMN
N#Cc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc1	ZINC000095525921	208224265	/nfs/dbraw/zinc/22/42/65/208224265.db2.gz	PGCTUNZYSZCRMK-UHFFFAOYSA-N	0	1	389.459	2.208	50	30		GEEAMN
C=CCSc1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000007709695	221006674	/nfs/dbraw/zinc/00/66/74/221006674.db2.gz	IWXIDLZTPLOYRG-UHFFFAOYSA-N	0	1	384.504	2.413	50	30		GEEAMN
C=CCN1CC[C@@]2(CN(C(=O)CCc3ccsc3)CCN2C)CCC1=O	ZINC000095378403	518867709	/nfs/dbraw/zinc/86/77/09/518867709.db2.gz	RCJOSSJLVKRGMI-HXUWFJFHSA-N	0	1	375.538	2.392	50	30		GEEAMN
C=CCN1CC[C@]2(CN(Cc3snnc3C(C)C)CCN2C)CCC1=O	ZINC000091893946	518870730	/nfs/dbraw/zinc/87/07/30/518870730.db2.gz	JPRJYWAJNOZIMC-IBGZPJMESA-N	0	1	377.558	2.346	50	30		GEEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O	ZINC000006728404	522918255	/nfs/dbraw/zinc/91/82/55/522918255.db2.gz	OWHAUMRQGKDHIG-KPZWWZAWSA-N	0	1	383.400	2.360	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102801779	523375986	/nfs/dbraw/zinc/37/59/86/523375986.db2.gz	VZTLUJNLEYCROP-GROYHEBESA-N	0	1	398.371	2.017	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009329688	523560043	/nfs/dbraw/zinc/56/00/43/523560043.db2.gz	YZRVSPRSRFHETJ-QGZVFWFLSA-N	0	1	398.371	2.174	50	30		GEEAMN
COC(=O)C1=C(O)C(=CNCCc2ccc(OC)c(OC)c2)C(=O)CC1(C)C	ZINC000100746333	523660999	/nfs/dbraw/zinc/66/09/99/523660999.db2.gz	KHVCOTSEDNAVFW-FFWXCITRSA-N	0	1	389.448	2.077	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000103961895	523791167	/nfs/dbraw/zinc/79/11/67/523791167.db2.gz	IKQABJIFVZRXKK-SELCWUDQSA-N	0	1	383.400	2.469	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccn1	ZINC000102753110	524296201	/nfs/dbraw/zinc/29/62/01/524296201.db2.gz	YHBPVZOGEDZBHQ-GHNGSUTGSA-N	0	1	399.422	2.213	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(F)c1	ZINC000013692990	526484919	/nfs/dbraw/zinc/48/49/19/526484919.db2.gz	OYCYVPLBPHIORI-QGZVFWFLSA-N	0	1	386.427	2.306	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1	ZINC000013726584	526485242	/nfs/dbraw/zinc/48/52/42/526485242.db2.gz	CUVMGUDIVUDDTB-KRWDZBQOSA-N	0	1	386.427	2.306	50	30		GEEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccco1	ZINC000100584477	527175111	/nfs/dbraw/zinc/17/51/11/527175111.db2.gz	SBCKLMVYFVGBFP-BDBAMQCISA-N	0	1	394.431	2.219	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c(C)n1	ZINC000102751922	527218582	/nfs/dbraw/zinc/21/85/82/527218582.db2.gz	IGCNVRJYYJISLL-SELCWUDQSA-N	0	1	398.438	2.216	50	30		GEEAMN
COc1ccccc1-c1n[nH]c(NC(=O)Cn2ncc3ccccc3c2=O)n1	ZINC000048011801	570218069	/nfs/dbraw/zinc/21/80/69/570218069.db2.gz	HKCORTAKNUAAPN-UHFFFAOYSA-N	0	1	376.376	2.478	50	30		GEEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)cc1	ZINC000002459055	570287469	/nfs/dbraw/zinc/28/74/69/570287469.db2.gz	YFZMPCHHKOSXMU-QGZVFWFLSA-N	0	1	381.384	2.044	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)s1	ZINC000006812798	570617199	/nfs/dbraw/zinc/61/71/99/570617199.db2.gz	VOPWWKUNDVMPPF-OAHLLOKOSA-N	0	1	386.477	2.295	50	30		GEEAMN
CCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)[nH]c(=O)c1C#N	ZINC000005238982	531518757	/nfs/dbraw/zinc/51/87/57/531518757.db2.gz	BTSHQCBJVBNQCO-UHFFFAOYSA-N	0	1	375.479	2.270	50	30		GEEAMN
C=CCN(CC=C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccncc2)c1	ZINC000170600988	206259028	/nfs/dbraw/zinc/25/90/28/206259028.db2.gz	OZIDQEXWWYZZRG-UHFFFAOYSA-N	0	1	393.490	2.245	50	30		GEEAMN
Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C#N)cc2)cc1OCC(N)=O	ZINC000001110487	206353547	/nfs/dbraw/zinc/35/35/47/206353547.db2.gz	HBIKGCPLDIBAJH-UHFFFAOYSA-N	0	1	379.825	2.185	50	30		GEEAMN
C[C@H](CN(CC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000015864127	207064827	/nfs/dbraw/zinc/06/48/27/207064827.db2.gz	QSRNBQPYFNSBGM-GOSISDBHSA-N	0	1	390.487	2.236	50	30		GEEAMN
CNC(=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2C#N)c1	ZINC000253630123	209043982	/nfs/dbraw/zinc/04/39/82/209043982.db2.gz	ILIPIKLSFUKMMM-UHFFFAOYSA-N	0	1	394.250	2.481	50	30		GEEAMN
CC(=O)Nc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)cc1	ZINC000090590661	519731019	/nfs/dbraw/zinc/73/10/19/519731019.db2.gz	XOYWPNSQQYGEAE-UHFFFAOYSA-N	0	1	385.489	2.059	50	30		GEEAMN
CCOC(=O)CCc1c(C)nc(NC(=[NH2+])Nc2ccc(OCC)cc2)[n-]c1=O	ZINC000032524203	520716303	/nfs/dbraw/zinc/71/63/03/520716303.db2.gz	RLHOZZKZTMCNDL-UHFFFAOYSA-N	0	1	387.440	2.031	50	30		GEEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1	ZINC000004812068	523355055	/nfs/dbraw/zinc/35/50/55/523355055.db2.gz	IARLRNWNOALTBP-HRCADAONSA-N	0	1	397.479	2.003	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102873237	523377438	/nfs/dbraw/zinc/37/74/38/523377438.db2.gz	MCDQHQWGKFFCFF-HVESIFNPSA-N	0	1	398.371	2.017	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccnc1	ZINC000102735500	524295687	/nfs/dbraw/zinc/29/56/87/524295687.db2.gz	NSSNUYNGWYOSDN-GHNGSUTGSA-N	0	1	399.422	2.213	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(F)c1	ZINC000102749381	526483158	/nfs/dbraw/zinc/48/31/58/526483158.db2.gz	NRYZDABQLMKYRU-HVESIFNPSA-N	0	1	386.427	2.149	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1	ZINC000013732491	527605203	/nfs/dbraw/zinc/60/52/03/527605203.db2.gz	BGHBRMCQGJUTMX-GOSISDBHSA-N	0	1	382.464	2.177	50	30		GEEAMN
C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3[nH]c(-c4ccccc4)nc3C)C[C@]2(C(=O)[O-])C1	ZINC000096179963	570998957	/nfs/dbraw/zinc/99/89/57/570998957.db2.gz	WQOLPOOOYXOUFP-IIBYNOLFSA-N	0	1	380.448	2.030	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1	ZINC000072172796	211082113	/nfs/dbraw/zinc/08/21/13/211082113.db2.gz	CUZSEXMCDPSGLI-HNNXBMFYSA-N	0	1	380.404	2.000	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccncc1	ZINC000102496981	523789156	/nfs/dbraw/zinc/78/91/56/523789156.db2.gz	UCAMDAYZCIWZDY-GHNGSUTGSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1	ZINC000102746578	524296451	/nfs/dbraw/zinc/29/64/51/524296451.db2.gz	XCUKWZZEZOULRS-GHNGSUTGSA-N	0	1	399.422	2.213	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1	ZINC000019582753	525783764	/nfs/dbraw/zinc/78/37/64/525783764.db2.gz	HUOZCFJDNODAIQ-SFHVURJKSA-N	0	1	381.432	2.230	50	30		GEEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1	ZINC000100584482	527175665	/nfs/dbraw/zinc/17/56/65/527175665.db2.gz	SBCKLMVYFVGBFP-CQGUWYRNSA-N	0	1	394.431	2.219	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c(C)n1	ZINC000020713954	527222491	/nfs/dbraw/zinc/22/24/91/527222491.db2.gz	YHJBUHWQIBXBHY-MRXNPFEDSA-N	0	1	386.477	2.295	50	30		GEEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)ccc1O	ZINC000002481498	570288159	/nfs/dbraw/zinc/28/81/59/570288159.db2.gz	HSJTZQRWWFCFPX-GOSISDBHSA-N	0	1	383.400	2.362	50	30		GEEAMN
CCc1ccc(N2C(=O)C(=CNc3ccc(OC)cn3)C(=O)NC2=S)cc1	ZINC000004738584	570399986	/nfs/dbraw/zinc/39/99/86/570399986.db2.gz	QFBNJFWKKYNXSO-FPQGOQEYSA-N	0	1	382.445	2.419	50	30		GEEAMN
C#CCOC[C@H](O)CN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2	ZINC000036102350	570538895	/nfs/dbraw/zinc/53/88/95/570538895.db2.gz	ANTNSJYXBQYNKD-LJQANCHMSA-N	0	1	383.444	2.437	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1	ZINC000005800117	570693502	/nfs/dbraw/zinc/69/35/02/570693502.db2.gz	XOXROQXJVIKIPE-KRWDZBQOSA-N	0	1	398.371	2.174	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1C	ZINC000104235081	570898547	/nfs/dbraw/zinc/89/85/47/570898547.db2.gz	MXKRCSRERBEHJN-WOOAAIBNSA-N	0	1	395.459	2.382	50	30		GEEAMN
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1cccc(C#N)c1	ZINC000012201687	570963035	/nfs/dbraw/zinc/96/30/35/570963035.db2.gz	LUWCISOWNLGMEH-UHFFFAOYSA-N	0	1	385.401	2.021	50	30		GEEAMN
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1C#N	ZINC000001100287	209298981	/nfs/dbraw/zinc/29/89/81/209298981.db2.gz	UMKVLMDKZBEHAK-UHFFFAOYSA-N	0	1	391.383	2.285	50	30		GEEAMN
C=CCN1C(=O)NC(=O)/C(=C\c2cc(OCC)c(O)cc2Br)C1=O	ZINC000004689793	209139021	/nfs/dbraw/zinc/13/90/21/209139021.db2.gz	MJAGBAFLLYFMRE-UXBLZVDNSA-N	0	1	395.209	2.201	50	30		GEEAMN
CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1C#N)CC2	ZINC000095503869	211255999	/nfs/dbraw/zinc/25/59/99/211255999.db2.gz	BYKQAFCGCCIHCR-UHFFFAOYSA-N	0	1	377.448	2.208	50	30		GEEAMN
N#Cc1ccccc1N1C[C@@H](Cc2ccccc2)N(C(=O)c2ccn[nH]2)CC1=O	ZINC000077287308	211129213	/nfs/dbraw/zinc/12/92/13/211129213.db2.gz	XSZWKJGTFTYRLL-GOSISDBHSA-N	0	1	385.427	2.382	50	30		GEEAMN
CC(C)Cc1nc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)n[nH]1	ZINC000072401405	519453280	/nfs/dbraw/zinc/45/32/80/519453280.db2.gz	IHWSPURHCCEBMS-UHFFFAOYSA-N	0	1	385.472	2.123	50	30		GEEAMN
CC(C)Cc1n[nH]c(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)n1	ZINC000072401405	519453288	/nfs/dbraw/zinc/45/32/88/519453288.db2.gz	IHWSPURHCCEBMS-UHFFFAOYSA-N	0	1	385.472	2.123	50	30		GEEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@H](C)O)ccc1O	ZINC000006728408	522954402	/nfs/dbraw/zinc/95/44/02/522954402.db2.gz	OWHAUMRQGKDHIG-SGTLLEGYSA-N	0	1	383.400	2.360	50	30		GEEAMN
COc1ccc(-c2n[nH]c(SCC(=O)N(C)C(C)(C)C#N)n2)c(OC)c1	ZINC000058216573	523175246	/nfs/dbraw/zinc/17/52/46/523175246.db2.gz	ICPMMLKDNGYKPC-UHFFFAOYSA-N	0	1	375.454	2.342	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1C	ZINC000102523467	523375886	/nfs/dbraw/zinc/37/58/86/523375886.db2.gz	IKUQUAZQLYPXGY-LFVOPCPISA-N	0	1	395.459	2.382	50	30		GEEAMN
COC(=O)C1=C(O)C(=CNCCc2ccc(OC)c(OC)c2)C(=O)CC1(C)C	ZINC000100746334	523941882	/nfs/dbraw/zinc/94/18/82/523941882.db2.gz	KHVCOTSEDNAVFW-RXXLQFRUSA-N	0	1	389.448	2.077	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1	ZINC000013724393	527606194	/nfs/dbraw/zinc/60/61/94/527606194.db2.gz	RUGYIJTTZZGALW-MRXNPFEDSA-N	0	1	388.493	2.238	50	30		GEEAMN
C=CCN1CC[C@@]2(CN(Cc3nc(-c4ccco4)no3)CCN2C)CCC1=O	ZINC000107409008	570233178	/nfs/dbraw/zinc/23/31/78/570233178.db2.gz	WJULYYBCJXVYPJ-HXUWFJFHSA-N	0	1	385.468	2.014	50	30		GEEAMN
O=C(Oc1ccc(C=NNC2=NC(=O)CS2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000004689877	570393468	/nfs/dbraw/zinc/39/34/68/570393468.db2.gz	MOMQRGBVWAMHAG-GIJQJNRQSA-N	0	1	384.373	2.367	50	30		GEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1	ZINC000005062209	570427484	/nfs/dbraw/zinc/42/74/84/570427484.db2.gz	LAGAIAXPSFLSKR-INIZCTEOSA-N	0	1	386.335	2.305	50	30		GEEAMN
C#CCOC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098504	570536368	/nfs/dbraw/zinc/53/63/68/570536368.db2.gz	GHZLKJJMLZGCFM-LJQANCHMSA-N	0	1	383.444	2.437	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1	ZINC000005408696	570585702	/nfs/dbraw/zinc/58/57/02/570585702.db2.gz	RBNJLZNHNYAAFK-SELCWUDQSA-N	0	1	381.432	2.074	50	30		GEEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1	ZINC000006812764	570617080	/nfs/dbraw/zinc/61/70/80/570617080.db2.gz	FPYQKQYJYQTQOG-GOSISDBHSA-N	0	1	394.431	2.376	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1F	ZINC000013687082	570669113	/nfs/dbraw/zinc/66/91/13/570669113.db2.gz	YZKCTJSQXUDLMR-SFHVURJKSA-N	0	1	399.422	2.369	50	30		GEEAMN
Oc1c(I)cc(Br)cc1/C=N/n1cnnc1	ZINC000001092690	209299918	/nfs/dbraw/zinc/29/99/18/209299918.db2.gz	IXBSEBLHOXMATO-LZWSPWQCSA-N	0	1	392.982	2.233	50	30		GEEAMN
C=CCN1C(=O)[C@H]2[C@H](CC(C)C)N[C@]3(c4cccc(Cl)c4NC3=O)[C@H]2C1=O	ZINC000005482889	209140558	/nfs/dbraw/zinc/14/05/58/209140558.db2.gz	WCFWXUIBSGNMKL-UJKGCTCZSA-N	0	1	387.867	2.293	50	30		GEEAMN
C=CCN1C(=O)[C@H]2[C@H](CC(C)C)N[C@]3(c4cc(Cl)ccc4NC3=O)[C@H]2C1=O	ZINC000005451396	209140161	/nfs/dbraw/zinc/14/01/61/209140161.db2.gz	VUNZYELLGJTIJV-ZFCANOHDSA-N	0	1	387.867	2.293	50	30		GEEAMN
CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(C#N)c1)CC2	ZINC000091289338	211190406	/nfs/dbraw/zinc/19/04/06/211190406.db2.gz	LRKKBSUCFVKXJJ-UHFFFAOYSA-N	0	1	377.448	2.208	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccco1	ZINC000020192543	210321782	/nfs/dbraw/zinc/32/17/82/210321782.db2.gz	JZGYQSNHJCDODD-SFHVURJKSA-N	0	1	398.415	2.191	50	30		GEEAMN
C=CCn1cc(CN2CCN(C)C3(CCN(C(=O)OC(C)C)CC3)C2)cn1	ZINC000067920390	519277105	/nfs/dbraw/zinc/27/71/05/519277105.db2.gz	CLOYCMIZUHLQSU-UHFFFAOYSA-N	0	1	375.517	2.196	50	30		GEEAMN
C=CCn1cnnc1SCC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC	ZINC000014197476	519285145	/nfs/dbraw/zinc/28/51/45/519285145.db2.gz	WOKZVJOGKJTKOW-INIZCTEOSA-N	0	1	399.476	2.428	50	30		GEEAMN
COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2	ZINC000020503727	523718063	/nfs/dbraw/zinc/71/80/63/523718063.db2.gz	ABZCFPSSCUDTCI-UNOMPAQXSA-N	0	1	384.432	2.498	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1	ZINC000102932359	523789684	/nfs/dbraw/zinc/78/96/84/523789684.db2.gz	GXEIWADTFUMMLA-GHNGSUTGSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102745652	524169225	/nfs/dbraw/zinc/16/92/25/524169225.db2.gz	QZEDOCDVPPWQQT-GHNGSUTGSA-N	0	1	398.463	2.018	50	30		GEEAMN
COc1ccc(O)c(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1	ZINC000009310739	524723118	/nfs/dbraw/zinc/72/31/18/524723118.db2.gz	XSRYJDLOMOSMNM-DEDYPNTBSA-N	0	1	383.456	2.232	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1	ZINC000102857717	525214136	/nfs/dbraw/zinc/21/41/36/525214136.db2.gz	FUBGZNUNPXYRML-GROYHEBESA-N	0	1	398.371	2.017	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1	ZINC000019582750	525783246	/nfs/dbraw/zinc/78/32/46/525783246.db2.gz	HUOZCFJDNODAIQ-GOSISDBHSA-N	0	1	381.432	2.230	50	30		GEEAMN
Cc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102888486	525787121	/nfs/dbraw/zinc/78/71/21/525787121.db2.gz	ZJEKFBFRJZKWMG-GROYHEBESA-N	0	1	387.457	2.487	50	30		GEEAMN
Cc1ccc(C(O)=C[C@H]2SC(=NNC3=NC(=O)SC3)NC2=O)cc1C	ZINC000012583151	526051636	/nfs/dbraw/zinc/05/16/36/526051636.db2.gz	YUXZOMYRUGPLSF-GFCCVEGCSA-N	0	1	376.463	2.234	50	30		GEEAMN
Cc1ccc(C(O)=CC2SC(=NNC3=NC(=O)SC3)NC2=O)cc1C	ZINC000012583151	526051643	/nfs/dbraw/zinc/05/16/43/526051643.db2.gz	YUXZOMYRUGPLSF-GFCCVEGCSA-N	0	1	376.463	2.234	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1F	ZINC000102751405	526483020	/nfs/dbraw/zinc/48/30/20/526483020.db2.gz	CKWQEOKIIUAQLF-GROYHEBESA-N	0	1	386.427	2.149	50	30		GEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1	ZINC000102862908	526952914	/nfs/dbraw/zinc/95/29/14/526952914.db2.gz	OPOGQGCBNBFZDF-UYTDBDHRSA-N	0	1	386.335	2.148	50	30		GEEAMN
COc1cccc(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1O	ZINC000004857120	570349536	/nfs/dbraw/zinc/34/95/36/570349536.db2.gz	XNWDIZDSFYAREL-DEDYPNTBSA-N	0	1	383.456	2.232	50	30		GEEAMN
COCc1cc(=O)[nH]c(N=C(NC(=O)c2ccccc2)Nc2ccccc2)n1	ZINC000003771598	570350648	/nfs/dbraw/zinc/35/06/48/570350648.db2.gz	PSOOANYPABXWSK-UHFFFAOYSA-N	0	1	377.404	2.446	50	30		GEEAMN
Cc1cccc(Cc2nc(CCNS(=O)(=O)c3cccc(C#N)c3)n[nH]2)c1	ZINC000064969901	570620280	/nfs/dbraw/zinc/62/02/80/570620280.db2.gz	PWVIRMUOPWOCFR-UHFFFAOYSA-N	0	1	381.461	2.097	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1F	ZINC000013691435	570669151	/nfs/dbraw/zinc/66/91/51/570669151.db2.gz	CUWFPQUKIZTUNU-GOSISDBHSA-N	0	1	399.422	2.369	50	30		GEEAMN
Fc1ccccc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1	ZINC000004481917	230834654	/nfs/dbraw/zinc/83/46/54/230834654.db2.gz	ZGEMPWYJJOCEFW-KGENOOAVSA-N	0	1	385.447	2.284	50	30		GEEAMN
CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([C@H]2NC(=O)N=C(C)C2C(C)=O)cc1	ZINC000018285676	210220045	/nfs/dbraw/zinc/22/00/45/210220045.db2.gz	VDRZANDQXVHSRF-HDICACEKSA-N	0	1	382.420	2.120	50	30		GEEAMN
COc1cc(C=NN2C(=S)N=NC2c2[nH]nc3c2CCC3)cc(OC)c1O	ZINC000018166296	210215333	/nfs/dbraw/zinc/21/53/33/210215333.db2.gz	WKOMRUVWKXBOPZ-QGMBQPNBSA-N	0	1	386.437	2.051	50	30		GEEAMN
COc1cccc(-n2cc(CN(C)C(=O)c3c[nH]c(=O)c(C#N)c3C)cn2)c1	ZINC000072436589	211119915	/nfs/dbraw/zinc/11/99/15/211119915.db2.gz	NFXNWSKCBJKDQF-UHFFFAOYSA-N	0	1	377.404	2.434	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1	ZINC000072172797	211081562	/nfs/dbraw/zinc/08/15/62/211081562.db2.gz	CUZSEXMCDPSGLI-OAHLLOKOSA-N	0	1	380.404	2.000	50	30		GEEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000102734419	520843781	/nfs/dbraw/zinc/84/37/81/520843781.db2.gz	WLWNMXDCCXQOAE-LFVOPCPISA-N	0	1	395.459	2.464	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccco1	ZINC000006412306	521755709	/nfs/dbraw/zinc/75/57/09/521755709.db2.gz	PZEPFLSRTGTVFY-SELCWUDQSA-N	0	1	398.415	2.034	50	30		GEEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN(C)C)ccc1O	ZINC000005445214	522952721	/nfs/dbraw/zinc/95/27/21/522952721.db2.gz	WIVZOJBRCPFUMR-WOOAAIBNSA-N	0	1	396.443	2.384	50	30		GEEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1	ZINC000004812067	523355444	/nfs/dbraw/zinc/35/54/44/523355444.db2.gz	IARLRNWNOALTBP-OWCLPIDISA-N	0	1	397.479	2.003	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102801777	523378859	/nfs/dbraw/zinc/37/88/59/523378859.db2.gz	VZTLUJNLEYCROP-HVESIFNPSA-N	0	1	398.371	2.017	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000019923511	523558479	/nfs/dbraw/zinc/55/84/79/523558479.db2.gz	WVLBHQANYRLHDB-LJQANCHMSA-N	0	1	396.443	2.332	50	30		GEEAMN
COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2	ZINC000020504030	523718710	/nfs/dbraw/zinc/71/87/10/523718710.db2.gz	YSFAKQMTMISJTD-UYRXBGFRSA-N	0	1	384.432	2.498	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(F)c1	ZINC000013692989	526485234	/nfs/dbraw/zinc/48/52/34/526485234.db2.gz	OYCYVPLBPHIORI-KRWDZBQOSA-N	0	1	386.427	2.306	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(O)cc1	ZINC000013207898	526833789	/nfs/dbraw/zinc/83/37/89/526833789.db2.gz	ISVNCFQAAYJQIC-MRXNPFEDSA-N	0	1	389.429	2.041	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c(C)n1	ZINC000013725030	527223160	/nfs/dbraw/zinc/22/31/60/527223160.db2.gz	ISIUFWHHQRXYNH-SFHVURJKSA-N	0	1	398.438	2.372	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c(C)n1	ZINC000013719004	527223516	/nfs/dbraw/zinc/22/35/16/527223516.db2.gz	UUQJUBRIBUJABU-SFHVURJKSA-N	0	1	380.448	2.233	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1	ZINC000013724390	527606521	/nfs/dbraw/zinc/60/65/21/527606521.db2.gz	RUGYIJTTZZGALW-INIZCTEOSA-N	0	1	388.493	2.238	50	30		GEEAMN
C#CCOc1ccccc1[C@@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4	ZINC000012506963	570822803	/nfs/dbraw/zinc/82/28/03/570822803.db2.gz	BDMADDLUNFKFAM-LJQANCHMSA-N	0	1	389.415	2.306	50	30		GEEAMN
COc1ccccc1[C@H](C#Cc1ccccc1)N1CCN(CCC(N)=O)CC1	ZINC000096162915	570998875	/nfs/dbraw/zinc/99/88/75/570998875.db2.gz	MPDHMZCIQAADJL-NRFANRHFSA-N	0	1	377.488	2.281	50	30		GEEAMN
C[C@@H](CN(CC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1)c1ccccc1	ZINC000015864126	210176282	/nfs/dbraw/zinc/17/62/82/210176282.db2.gz	QSRNBQPYFNSBGM-SFHVURJKSA-N	0	1	390.487	2.236	50	30		GEEAMN
C=CCNC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000012714236	209165262	/nfs/dbraw/zinc/16/52/62/209165262.db2.gz	LJIZHNDHWHAKPJ-OAQYLSRUSA-N	0	1	377.488	2.311	50	30		GEEAMN
C=CCn1c(SCC(=O)Nc2ccccc2OC)nc(O)c(CC)c1=O	ZINC000008579676	209160983	/nfs/dbraw/zinc/16/09/83/209160983.db2.gz	AGKUSQDZCGUZSB-UHFFFAOYSA-N	0	1	375.450	2.437	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1F	ZINC000102738692	523375945	/nfs/dbraw/zinc/37/59/45/523375945.db2.gz	ZYLRYOHWCPDLDH-GHNGSUTGSA-N	0	1	399.422	2.213	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)s1	ZINC000102857346	526687733	/nfs/dbraw/zinc/68/77/33/526687733.db2.gz	SXWRRXVJXQTJIA-DPEHCCBOSA-N	0	1	386.477	2.138	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)s1	ZINC000004311904	526690099	/nfs/dbraw/zinc/69/00/99/526690099.db2.gz	NIASVLGXCXGFEI-HNNXBMFYSA-N	0	1	386.477	2.295	50	30		GEEAMN
CCc1ccc(CN(CC(=O)N2CCNCC2)C(=O)c2ccc(C#N)cc2)cc1	ZINC000033032758	570670060	/nfs/dbraw/zinc/67/00/60/570670060.db2.gz	OHYRSJBSFRNYRO-UHFFFAOYSA-N	0	1	390.487	2.195	50	30		GEEAMN
Cc1c(NC(=N)NC(=N)Nc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000022203611	570801414	/nfs/dbraw/zinc/80/14/14/570801414.db2.gz	GZKGREMOSIIBIZ-UHFFFAOYSA-N	0	1	377.452	2.376	50	30		GEEAMN
C=CCN1CC[C@]2(CN(Cc3nc(-c4ccco4)no3)CCN2C)CCC1=O	ZINC000091637106	570984659	/nfs/dbraw/zinc/98/46/59/570984659.db2.gz	WJULYYBCJXVYPJ-FQEVSTJZSA-N	0	1	385.468	2.014	50	30		GEEAMN
CN1CCN(C(=O)c2ccc(C#N)cc2)C[C@]12CCC(=O)N(CC1CC1)CC2	ZINC000095355178	211222511	/nfs/dbraw/zinc/22/25/11/211222511.db2.gz	VRZRYFCZILKJBG-JOCHJYFZSA-N	0	1	380.492	2.107	50	30		GEEAMN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1	ZINC000091708223	211202475	/nfs/dbraw/zinc/20/24/75/211202475.db2.gz	VLQXHAAIMNQQOE-UHFFFAOYSA-N	0	1	396.491	2.342	50	30		GEEAMN
C=CCS(=O)(=O)N1CCCn2nc(-c3nc4ccc(OC)cc4[nH]3)cc2C1	ZINC000067725401	519074558	/nfs/dbraw/zinc/07/45/58/519074558.db2.gz	WCVGPUVIKTUSFO-UHFFFAOYSA-N	0	1	387.465	2.157	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000006786596	523560942	/nfs/dbraw/zinc/56/09/42/523560942.db2.gz	BHCAPLFMDOOOPS-QGZVFWFLSA-N	0	1	398.371	2.174	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1	ZINC000103894119	523789027	/nfs/dbraw/zinc/78/90/27/523789027.db2.gz	DEAOVNRSDOYZES-GHNGSUTGSA-N	0	1	383.400	2.469	50	30		GEEAMN
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1	ZINC000013809984	523908478	/nfs/dbraw/zinc/90/84/78/523908478.db2.gz	DTBZKPPLQHXOLR-XHSDSOJGSA-N	0	1	381.480	2.482	50	30		GEEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102745655	524104875	/nfs/dbraw/zinc/10/48/75/524104875.db2.gz	QZEDOCDVPPWQQT-SELCWUDQSA-N	0	1	398.463	2.018	50	30		GEEAMN
COc1ccccc1[C@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCN(C)C	ZINC000102742839	524802578	/nfs/dbraw/zinc/80/25/78/524802578.db2.gz	XMJQBMSDEJGHJF-GHNGSUTGSA-N	0	1	398.463	2.018	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCO)cc1	ZINC000102857721	525383879	/nfs/dbraw/zinc/38/38/79/525383879.db2.gz	FUBGZNUNPXYRML-HVESIFNPSA-N	0	1	398.371	2.017	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c(C)n1	ZINC000102751919	527219347	/nfs/dbraw/zinc/21/93/47/527219347.db2.gz	IGCNVRJYYJISLL-GHNGSUTGSA-N	0	1	398.438	2.216	50	30		GEEAMN
CCc1nnc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)[nH]1	ZINC000089289862	570442747	/nfs/dbraw/zinc/44/27/47/570442747.db2.gz	QZQSOJDQVJLNHI-UHFFFAOYSA-N	0	1	392.485	2.387	50	30		GEEAMN
CCc1n[nH]c(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)n1	ZINC000089289862	570442749	/nfs/dbraw/zinc/44/27/49/570442749.db2.gz	QZQSOJDQVJLNHI-UHFFFAOYSA-N	0	1	392.485	2.387	50	30		GEEAMN
COc1cc(C(=O)ONC(=N)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	ZINC000013635671	570764987	/nfs/dbraw/zinc/76/49/87/570764987.db2.gz	DOXQVDJZBMBTMB-UHFFFAOYSA-N	0	1	389.364	2.292	50	30		GEEAMN
C=CCOC[C@@H](O)CN[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160718	120304593	/nfs/dbraw/zinc/30/45/93/120304593.db2.gz	ILWKYBQHDDJWRK-HOTGVXAUSA-N	0	1	376.413	2.495	50	30		GEEAMN
C=CCN1CC[C@]2(CN(C(=O)CCc3ccsc3)CCN2C)CCC1=O	ZINC000095378402	518867609	/nfs/dbraw/zinc/86/76/09/518867609.db2.gz	RCJOSSJLVKRGMI-FQEVSTJZSA-N	0	1	375.538	2.392	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102737432	525213913	/nfs/dbraw/zinc/21/39/13/525213913.db2.gz	ZOYHOWFHNAGOAH-SELCWUDQSA-N	0	1	398.463	2.018	50	30		GEEAMN
NC(=O)CCN1CCN([C@@H](C#Cc2ccc(F)cc2)Cc2ccccc2)CC1	ZINC000096130950	526868847	/nfs/dbraw/zinc/86/88/47/526868847.db2.gz	OWDDBACIEPKGKK-QFIPXVFZSA-N	0	1	379.479	2.282	50	30		GEEAMN
O=C(CSc1nnc(N=[NH+]C2CCCC2)[n-]1)NCc1ccc2c(c1)OCO2	ZINC000020493981	527048901	/nfs/dbraw/zinc/04/89/01/527048901.db2.gz	YRXPTMDWICMDMA-UHFFFAOYSA-N	0	1	388.453	2.284	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccnc1	ZINC000013686622	570669136	/nfs/dbraw/zinc/66/91/36/570669136.db2.gz	QIMUVBVGGWHTRN-SFHVURJKSA-N	0	1	399.422	2.369	50	30		GEEAMN
N#Cc1ccc(C(=O)N(CCCc2ccccc2)CC(=O)N2CCNCC2)cc1	ZINC000033032674	570669651	/nfs/dbraw/zinc/66/96/51/570669651.db2.gz	PFRWSODJMPOWLJ-UHFFFAOYSA-N	0	1	390.487	2.065	50	30		GEEAMN
CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)C(=C(O)c3cccs3)[C@@]21C#N	ZINC000105106567	570915079	/nfs/dbraw/zinc/91/50/79/570915079.db2.gz	WGCCAMKQQJNVJK-PVAVHDDUSA-N	0	1	398.448	2.430	50	30		GEEAMN
Cc1ccc(C(=O)C2=C3NCCN3C(=O)C2CC(=O)Nc2ccccc2)cc1	ZINC000012759213	210002981	/nfs/dbraw/zinc/00/29/81/210002981.db2.gz	YXYQCVDNVNVXEA-KRWDZBQOSA-N	0	1	375.428	2.480	50	30		GEEAMN
CCOC(=O)CN1C(=O)C(=O)C(C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000001438271	209327967	/nfs/dbraw/zinc/32/79/67/209327967.db2.gz	VJXMAJFPWGBLMJ-AWEZNQCLSA-N	0	1	382.210	2.297	50	30		GEEAMN
Cc1cc(C)cc(CN2CCN(C(=O)c3cc(C#N)c(=O)[nH]c3C)CC2=O)c1	ZINC000072423177	211116716	/nfs/dbraw/zinc/11/67/16/211116716.db2.gz	RREMKZADRJVTDA-UHFFFAOYSA-N	0	1	378.432	2.069	50	30		GEEAMN
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1	ZINC000004812197	136194071	/nfs/dbraw/zinc/19/40/71/136194071.db2.gz	DTBZKPPLQHXOLR-BZUAXINKSA-N	0	1	381.480	2.482	50	30		GEEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O	ZINC000006728406	522919765	/nfs/dbraw/zinc/91/97/65/522919765.db2.gz	OWHAUMRQGKDHIG-KZULUSFZSA-N	0	1	383.400	2.360	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000103961900	523790951	/nfs/dbraw/zinc/79/09/51/523790951.db2.gz	IKQABJIFVZRXKK-GHNGSUTGSA-N	0	1	383.400	2.469	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccco1	ZINC000102736384	524296405	/nfs/dbraw/zinc/29/64/05/524296405.db2.gz	HPMPUILUOHMEED-GROYHEBESA-N	0	1	388.395	2.411	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccn1	ZINC000013720330	524297297	/nfs/dbraw/zinc/29/72/97/524297297.db2.gz	GOBVASBDGCCTAW-SFHVURJKSA-N	0	1	399.422	2.369	50	30		GEEAMN
Cc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000102888490	525983012	/nfs/dbraw/zinc/98/30/12/525983012.db2.gz	ZJEKFBFRJZKWMG-HVESIFNPSA-N	0	1	387.457	2.487	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1	ZINC000102744608	526483707	/nfs/dbraw/zinc/48/37/07/526483707.db2.gz	ZXRUVTNIMSYIBY-GROYHEBESA-N	0	1	386.427	2.149	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1	ZINC000102744029	527603345	/nfs/dbraw/zinc/60/33/45/527603345.db2.gz	MCSIGRWTQPTVAX-GHNGSUTGSA-N	0	1	382.464	2.020	50	30		GEEAMN
COc1nccc(N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)c1C#N	ZINC000091562977	537145393	/nfs/dbraw/zinc/14/53/93/537145393.db2.gz	CNKDSHPUEGVDCW-UHFFFAOYSA-N	0	1	394.479	2.137	50	30		GEEAMN
C=CCN1CC[C@@]2(CN(Cc3snnc3C(C)C)CCN2C)CCC1=O	ZINC000107417473	570233571	/nfs/dbraw/zinc/23/35/71/570233571.db2.gz	JPRJYWAJNOZIMC-LJQANCHMSA-N	0	1	377.558	2.346	50	30		GEEAMN
Cc1ccc(Cc2nc(CCNS(=O)(=O)c3cccc(C#N)c3)n[nH]2)cc1	ZINC000064969682	570620141	/nfs/dbraw/zinc/62/01/41/570620141.db2.gz	LXTYJWARSFPZKC-UHFFFAOYSA-N	0	1	381.461	2.097	50	30		GEEAMN
C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000005574089	570656824	/nfs/dbraw/zinc/65/68/24/570656824.db2.gz	RDHGBWLSSKODNP-GFCCVEGCSA-N	0	1	387.417	2.114	50	30		GEEAMN
CCOCCOC(=NC(=O)c1cccc(OC)c1)NCCN1CCCCC1	ZINC000004752415	570965372	/nfs/dbraw/zinc/96/53/72/570965372.db2.gz	OEROROAAJFHBKE-UHFFFAOYSA-N	0	1	377.485	2.320	50	30		GEEAMN
C#CCN1CCC(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)CC1	ZINC000058268447	570983481	/nfs/dbraw/zinc/98/34/81/570983481.db2.gz	ZTIPOCGADQBGNN-UHFFFAOYSA-N	0	1	377.891	2.469	50	30		GEEAMN
C=CCN1CCC[C@H]1C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1	ZINC000065433831	571000653	/nfs/dbraw/zinc/00/06/53/571000653.db2.gz	XXDPJQDRWSQGKI-IBGZPJMESA-N	0	1	379.464	2.128	50	30		GEEAMN
N#Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(F)cc2)cc1	ZINC000045966712	571008218	/nfs/dbraw/zinc/00/82/18/571008218.db2.gz	MUNBSMXVHPHEQS-UHFFFAOYSA-N	0	1	394.450	2.162	50	30		GEEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000102734416	520842068	/nfs/dbraw/zinc/84/20/68/520842068.db2.gz	WLWNMXDCCXQOAE-WOOAAIBNSA-N	0	1	395.459	2.464	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000013004711	523560183	/nfs/dbraw/zinc/56/01/83/523560183.db2.gz	BHCAPLFMDOOOPS-KRWDZBQOSA-N	0	1	398.371	2.174	50	30		GEEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009329687	523560899	/nfs/dbraw/zinc/56/08/99/523560899.db2.gz	YZRVSPRSRFHETJ-KRWDZBQOSA-N	0	1	398.371	2.174	50	30		GEEAMN
COc1ccc(F)cc1S(=O)(=O)NCC#CCN(C)Cc1ccccc1	ZINC000090590663	524326954	/nfs/dbraw/zinc/32/69/54/524326954.db2.gz	XZXLCLADPGDVPO-UHFFFAOYSA-N	0	1	376.453	2.248	50	30		GEEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)c(OC)c1	ZINC000102877648	525214599	/nfs/dbraw/zinc/21/45/99/525214599.db2.gz	GUAINKMZCRCLKN-SELCWUDQSA-N	0	1	383.400	2.118	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000005445766	525390620	/nfs/dbraw/zinc/39/06/20/525390620.db2.gz	USTMHFHGUUEOSL-SFHVURJKSA-N	0	1	383.400	2.274	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1F	ZINC000013724523	526485081	/nfs/dbraw/zinc/48/50/81/526485081.db2.gz	UWWHVVHUVKAZHG-KRWDZBQOSA-N	0	1	386.427	2.306	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(F)cc1	ZINC000102562557	526952877	/nfs/dbraw/zinc/95/28/77/526952877.db2.gz	QQXGANUYFAPABL-UYTDBDHRSA-N	0	1	391.420	2.318	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1	ZINC000102752826	527603394	/nfs/dbraw/zinc/60/33/94/527603394.db2.gz	PWMAGVQWZAVTTC-IBOXJLQUSA-N	0	1	388.493	2.082	50	30		GEEAMN
COC(=O)C1=C(O)C(=CNCCc2ccc(OC)c(OC)c2)C(=O)CC1(C)C	ZINC000100318996	570270913	/nfs/dbraw/zinc/27/09/13/570270913.db2.gz	KHVCOTSEDNAVFW-SZEUEKNRSA-N	0	1	389.448	2.077	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c1	ZINC000005408699	570585915	/nfs/dbraw/zinc/58/59/15/570585915.db2.gz	YYJKYTCKPQANBG-SELCWUDQSA-N	0	1	381.432	2.074	50	30		GEEAMN
N#Cc1ccccc1C[N@@H+]1CCC2(CC[NH+](Cc3ncc[nH]3)CC2)[C@H](CO)C1	ZINC000097244013	570910805	/nfs/dbraw/zinc/91/08/05/570910805.db2.gz	DMQVKHHXRYVOEN-FQEVSTJZSA-N	0	1	379.508	2.378	50	30		GEEAMN
N#Cc1ccccc1C[N@@H+]1CCC2(CC[NH+](Cc3ncc[nH]3)CC2)[C@@H](CO)C1	ZINC000097244014	570911052	/nfs/dbraw/zinc/91/10/52/570911052.db2.gz	DMQVKHHXRYVOEN-HXUWFJFHSA-N	0	1	379.508	2.378	50	30		GEEAMN
N#Cc1cccnc1N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1	ZINC000095513191	136180619	/nfs/dbraw/zinc/18/06/19/136180619.db2.gz	VJQMWAXGJJXMPU-UHFFFAOYSA-N	0	1	376.464	2.357	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1F	ZINC000102738690	523375308	/nfs/dbraw/zinc/37/53/08/523375308.db2.gz	ZYLRYOHWCPDLDH-SELCWUDQSA-N	0	1	399.422	2.213	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccn1	ZINC000102753107	524296323	/nfs/dbraw/zinc/29/63/23/524296323.db2.gz	YHBPVZOGEDZBHQ-SELCWUDQSA-N	0	1	399.422	2.213	50	30		GEEAMN
COc1ccccc1[C@@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCN(C)C	ZINC000013725530	524743364	/nfs/dbraw/zinc/74/33/64/524743364.db2.gz	LNRAWWBJVRDUHE-GOSISDBHSA-N	0	1	398.463	2.175	50	30		GEEAMN
Cc1ccc(C(O)=C[C@@H]2SC(=NNC3=NC(=O)SC3)NC2=O)cc1C	ZINC000012583144	526049680	/nfs/dbraw/zinc/04/96/80/526049680.db2.gz	YUXZOMYRUGPLSF-LBPRGKRZSA-N	0	1	376.463	2.234	50	30		GEEAMN
Cc1ccc(C(O)=CC2SC(=NNC3=NC(=O)SC3)NC2=O)cc1C	ZINC000012583144	526049685	/nfs/dbraw/zinc/04/96/85/526049685.db2.gz	YUXZOMYRUGPLSF-LBPRGKRZSA-N	0	1	376.463	2.234	50	30		GEEAMN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1F	ZINC000102751401	526483915	/nfs/dbraw/zinc/48/39/15/526483915.db2.gz	CKWQEOKIIUAQLF-HVESIFNPSA-N	0	1	386.427	2.149	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(F)c1	ZINC000102884489	526952733	/nfs/dbraw/zinc/95/27/33/526952733.db2.gz	SRWXKHFTYPGCLA-IBOXJLQUSA-N	0	1	391.420	2.318	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c(C)n1	ZINC000102735979	527218323	/nfs/dbraw/zinc/21/83/23/527218323.db2.gz	DQLAJIYTOXWRHF-SELCWUDQSA-N	0	1	398.438	2.216	50	30		GEEAMN
Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(CCO)CC2)c1CCC#N	ZINC000020133056	570242153	/nfs/dbraw/zinc/24/21/53/570242153.db2.gz	IGCGFITVBBKHEC-UHFFFAOYSA-N	0	1	388.475	2.238	50	30		GEEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCO)cc1	ZINC000002459054	570287605	/nfs/dbraw/zinc/28/76/05/570287605.db2.gz	YFZMPCHHKOSXMU-KRWDZBQOSA-N	0	1	381.384	2.044	50	30		GEEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1	ZINC000005062208	570427502	/nfs/dbraw/zinc/42/75/02/570427502.db2.gz	LAGAIAXPSFLSKR-MRXNPFEDSA-N	0	1	386.335	2.305	50	30		GEEAMN
N#Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(Cc2ccccc2)CC1	ZINC000032830052	570844209	/nfs/dbraw/zinc/84/42/09/570844209.db2.gz	JKPASTKDGQQWGH-UHFFFAOYSA-N	0	1	380.452	2.481	50	30		GEEAMN
CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)C(=C(O)c3cccs3)[C@@]21C#N	ZINC000105106572	570915175	/nfs/dbraw/zinc/91/51/75/570915175.db2.gz	WGCCAMKQQJNVJK-XIRDDKMYSA-N	0	1	398.448	2.430	50	30		GEEAMN
C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1	ZINC000034677262	518727826	/nfs/dbraw/zinc/72/78/26/518727826.db2.gz	UGPHFMBPXXSPQO-SFHVURJKSA-N	0	1	390.528	2.182	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)s1	ZINC000102491504	526687984	/nfs/dbraw/zinc/68/79/84/526687984.db2.gz	FVJZQBKKPJPHLD-SXWSKBOKSA-N	0	1	375.450	2.336	50	30		GEEAMN
COc1ccc(C(=O)Oc2ccc(C=NNC3=NC(=O)CS3)cc2OC)cc1	ZINC000004690016	570393636	/nfs/dbraw/zinc/39/36/36/570393636.db2.gz	ZZNNVVNEOKCXLK-KEBDBYFISA-N	0	1	399.428	2.476	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1	ZINC000005408700	570585912	/nfs/dbraw/zinc/58/59/12/570585912.db2.gz	RBNJLZNHNYAAFK-GHNGSUTGSA-N	0	1	381.432	2.074	50	30		GEEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O	ZINC000004689672	570834796	/nfs/dbraw/zinc/83/47/96/570834796.db2.gz	YXDNRJLLACJARN-POHAHGRESA-N	0	1	395.209	2.114	50	30		GEEAMN
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccccc3OCC#N)C2=O)cc1	ZINC000003663841	570881791	/nfs/dbraw/zinc/88/17/91/570881791.db2.gz	TVHMTOYVRKGNQU-GHRIWEEISA-N	0	1	391.383	2.227	50	30		GEEAMN
C=CCN1CCC[C@@H]1C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1	ZINC000065433827	571000734	/nfs/dbraw/zinc/00/07/34/571000734.db2.gz	XXDPJQDRWSQGKI-LJQANCHMSA-N	0	1	379.464	2.128	50	30		GEEAMN
C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1	ZINC000034677263	518719135	/nfs/dbraw/zinc/71/91/35/518719135.db2.gz	UGPHFMBPXXSPQO-GOSISDBHSA-N	0	1	390.528	2.182	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccncc1	ZINC000103888006	523789839	/nfs/dbraw/zinc/78/98/39/523789839.db2.gz	WJYFSFISXQCGNQ-GHNGSUTGSA-N	0	1	382.416	2.467	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1	ZINC000102932360	523790545	/nfs/dbraw/zinc/79/05/45/523790545.db2.gz	GXEIWADTFUMMLA-SELCWUDQSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)c1	ZINC000102884703	525757206	/nfs/dbraw/zinc/75/72/06/525757206.db2.gz	JLUQYZSTCGMKRZ-SELCWUDQSA-N	0	1	381.432	2.074	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)s1	ZINC000102857342	526687701	/nfs/dbraw/zinc/68/77/01/526687701.db2.gz	SXWRRXVJXQTJIA-IDTYTIONSA-N	0	1	386.477	2.138	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)s1	ZINC000102491496	526688618	/nfs/dbraw/zinc/68/86/18/526688618.db2.gz	FVJZQBKKPJPHLD-MRPLLJTBSA-N	0	1	375.450	2.336	50	30		GEEAMN
O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc(C#CCO)s1)C2	ZINC000095355072	526815871	/nfs/dbraw/zinc/81/58/71/526815871.db2.gz	JSODDCBWFJCHGA-IAGOWNOFSA-N	0	1	381.501	2.224	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(F)c1	ZINC000102884491	526952468	/nfs/dbraw/zinc/95/24/68/526952468.db2.gz	SRWXKHFTYPGCLA-UYTDBDHRSA-N	0	1	391.420	2.318	50	30		GEEAMN
C#CCN1CCN(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)CC1	ZINC000072309044	570529771	/nfs/dbraw/zinc/52/97/71/570529771.db2.gz	OAQHTWYFFZLHKU-UHFFFAOYSA-N	0	1	382.533	2.253	50	30		GEEAMN
C#CCOC[C@@H](O)CN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2	ZINC000036102348	570538887	/nfs/dbraw/zinc/53/88/87/570538887.db2.gz	ANTNSJYXBQYNKD-IBGZPJMESA-N	0	1	383.444	2.437	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(F)c1	ZINC000009411171	570557381	/nfs/dbraw/zinc/55/73/81/570557381.db2.gz	AFVJXQNWOSSYII-INIZCTEOSA-N	0	1	391.420	2.474	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006812713	570616909	/nfs/dbraw/zinc/61/69/09/570616909.db2.gz	NFEFJZYLPDURSY-UYTDBDHRSA-N	0	1	385.376	2.171	50	30		GEEAMN
C=CCN1CC[C@@]2(CN(C(=O)NCc3cccs3)CCN2C)CCC1=O	ZINC000091604120	570984188	/nfs/dbraw/zinc/98/41/88/570984188.db2.gz	KMYBKQAHTVZKBN-LJQANCHMSA-N	0	1	376.526	2.142	50	30		GEEAMN
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)c1C#N	ZINC000008735234	221054389	/nfs/dbraw/zinc/05/43/89/221054389.db2.gz	HUGLRWDGYBKTKU-UHFFFAOYSA-N	0	1	384.436	2.353	50	30		GEEAMN
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C#N)c2)c1	ZINC000057279552	222029350	/nfs/dbraw/zinc/02/93/50/222029350.db2.gz	OWKBOCCAFWHPQH-UHFFFAOYSA-N	0	1	384.421	2.041	50	30		GEEAMN
C=CCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(OCC)cc3)N(C(C)=O)N2)C1=O	ZINC000009331494	518838314	/nfs/dbraw/zinc/83/83/14/518838314.db2.gz	CACPQXOQLOPYIF-CFBLSMTOSA-N	0	1	398.419	2.242	50	30		GEEAMN
C=CCn1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)CC)c1C	ZINC000092037383	519290883	/nfs/dbraw/zinc/29/08/83/519290883.db2.gz	OGSNASGEKNSYQL-UHFFFAOYSA-N	0	1	382.512	2.387	50	30		GEEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1	ZINC000013809941	523343303	/nfs/dbraw/zinc/34/33/03/523343303.db2.gz	IARLRNWNOALTBP-XHSDSOJGSA-N	0	1	397.479	2.003	50	30		GEEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1	ZINC000004812070	523354061	/nfs/dbraw/zinc/35/40/61/523354061.db2.gz	IARLRNWNOALTBP-BZUAXINKSA-N	0	1	397.479	2.003	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1C	ZINC000102698737	523374695	/nfs/dbraw/zinc/37/46/95/523374695.db2.gz	BVNQTNYWPUUPON-LFVOPCPISA-N	0	1	395.459	2.382	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c(C)c1	ZINC000102699931	523376025	/nfs/dbraw/zinc/37/60/25/523376025.db2.gz	GJDPGCRUCNGDBR-LFVOPCPISA-N	0	1	395.459	2.382	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccnc1	ZINC000102735497	524296309	/nfs/dbraw/zinc/29/63/09/524296309.db2.gz	NSSNUYNGWYOSDN-SELCWUDQSA-N	0	1	399.422	2.213	50	30		GEEAMN
NC(=O)CCN1CCN([C@H](C#Cc2ccc(F)cc2)Cc2ccccc2)CC1	ZINC000096130949	526868925	/nfs/dbraw/zinc/86/89/25/526868925.db2.gz	OWDDBACIEPKGKK-JOCHJYFZSA-N	0	1	379.479	2.282	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000013692714	527222905	/nfs/dbraw/zinc/22/29/05/527222905.db2.gz	CPZTUFCMNCHNJA-SFHVURJKSA-N	0	1	398.438	2.372	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c(C)n1	ZINC000013719008	527223598	/nfs/dbraw/zinc/22/35/98/527223598.db2.gz	UUQJUBRIBUJABU-GOSISDBHSA-N	0	1	380.448	2.233	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1F	ZINC000013691436	570668979	/nfs/dbraw/zinc/66/89/79/570668979.db2.gz	CUWFPQUKIZTUNU-SFHVURJKSA-N	0	1	399.422	2.369	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccnc1	ZINC000013686618	570669022	/nfs/dbraw/zinc/66/90/22/570669022.db2.gz	QIMUVBVGGWHTRN-GOSISDBHSA-N	0	1	399.422	2.369	50	30		GEEAMN
N#Cc1ccc(C(=O)N(CC(=O)N2CCNCC2)Cc2ccccc2Cl)cc1	ZINC000033032443	570669438	/nfs/dbraw/zinc/66/94/38/570669438.db2.gz	KFKJOMREBWFFSL-UHFFFAOYSA-N	0	1	396.878	2.286	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1C	ZINC000104235085	570898536	/nfs/dbraw/zinc/89/85/36/570898536.db2.gz	MXKRCSRERBEHJN-LFVOPCPISA-N	0	1	395.459	2.382	50	30		GEEAMN
C=CCOC[C@@H](O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1	ZINC000034667980	120300052	/nfs/dbraw/zinc/30/00/52/120300052.db2.gz	HEHAHKCHZVRQAQ-FQEVSTJZSA-N	0	1	396.491	2.019	50	30		GEEAMN
O=c1[nH]cc(N=Cc2cc(Br)cc(Br)c2O)c(=O)[nH]1	ZINC000004589514	531515489	/nfs/dbraw/zinc/51/54/89/531515489.db2.gz	RIGAWSKNVGDBSJ-LZWSPWQCSA-N	0	1	389.003	2.044	50	30		GEEAMN
C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1	ZINC000034677074	518728618	/nfs/dbraw/zinc/72/86/18/518728618.db2.gz	OFLVEDMBPLMCJX-IBGZPJMESA-N	0	1	398.507	2.049	50	30		GEEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2C[C@@H](C)O)ccc1O	ZINC000006728409	522954273	/nfs/dbraw/zinc/95/42/73/522954273.db2.gz	OWHAUMRQGKDHIG-XIKOKIGWSA-N	0	1	383.400	2.360	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1	ZINC000013726424	524295208	/nfs/dbraw/zinc/29/52/08/524295208.db2.gz	QRMPYPWIRKZFDX-SFHVURJKSA-N	0	1	399.422	2.369	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)cc1OC	ZINC000102615590	525382827	/nfs/dbraw/zinc/38/28/27/525382827.db2.gz	PZKVOMMSGWXNMS-WOOAAIBNSA-N	0	1	397.427	2.426	50	30		GEEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)n1	ZINC000102742949	527218455	/nfs/dbraw/zinc/21/84/55/527218455.db2.gz	ZZVODQLIRNEYSZ-GHNGSUTGSA-N	0	1	398.438	2.216	50	30		GEEAMN
CCc1ccc2[nH]c(C(C#N)=C3NS(=O)(=O)c4ccccc43)nc(=O)c2c1	ZINC000005266711	570533863	/nfs/dbraw/zinc/53/38/63/570533863.db2.gz	SBJFGLRZORNJAJ-AWEZNQCLSA-N	0	1	378.413	2.284	50	30		GEEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c1	ZINC000005408703	570585736	/nfs/dbraw/zinc/58/57/36/570585736.db2.gz	YYJKYTCKPQANBG-GHNGSUTGSA-N	0	1	381.432	2.074	50	30		GEEAMN
O=C(C=Cc1ccccc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccc2c(c1)OCO2	ZINC000003766441	570883287	/nfs/dbraw/zinc/88/32/87/570883287.db2.gz	VNKYYWXEQZHMKJ-IEJURRBGSA-N	0	1	393.395	2.386	50	30		GEEAMN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)cc2)cc1	ZINC000015920111	570908466	/nfs/dbraw/zinc/90/84/66/570908466.db2.gz	CZWVXZXLGDWJRQ-GOSISDBHSA-N	0	1	383.400	2.362	50	30		GEEAMN
C=CCN1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O	ZINC000013543277	212097669	/nfs/dbraw/zinc/09/76/69/212097669.db2.gz	FUNJESBLGUTDHN-FLIBITNWSA-N	0	1	378.226	2.163	50	30		GEEAMN
C=CCn1cc(C[N@H+]2C[C@@H]3c4cccc(OC)c4OC[C@]3(C(=O)[O-])C2)c(C)n1	ZINC000095366255	519280881	/nfs/dbraw/zinc/28/08/81/519280881.db2.gz	JWODRTQXBGBQFP-DYESRHJHSA-N	0	1	383.448	2.449	50	30		GEEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccn1	ZINC000013720328	524297318	/nfs/dbraw/zinc/29/73/18/524297318.db2.gz	GOBVASBDGCCTAW-GOSISDBHSA-N	0	1	399.422	2.369	50	30		GEEAMN
COc1ccccc1[C@@H]1C(C(=O)c2c(C)n[nH]c2C)=C(O)C(=O)N1CCN(C)C	ZINC000102742844	524744885	/nfs/dbraw/zinc/74/48/85/524744885.db2.gz	XMJQBMSDEJGHJF-SELCWUDQSA-N	0	1	398.463	2.018	50	30		GEEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013736046	525387145	/nfs/dbraw/zinc/38/71/45/525387145.db2.gz	SJCHNLPJPJQIGM-SFHVURJKSA-N	0	1	398.463	2.175	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)s1	ZINC000004311905	526689788	/nfs/dbraw/zinc/68/97/88/526689788.db2.gz	NIASVLGXCXGFEI-OAHLLOKOSA-N	0	1	386.477	2.295	50	30		GEEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccco1	ZINC000013124458	527176372	/nfs/dbraw/zinc/17/63/72/527176372.db2.gz	FPYQKQYJYQTQOG-SFHVURJKSA-N	0	1	394.431	2.376	50	30		GEEAMN
C=C(C)Cn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004814859	570407931	/nfs/dbraw/zinc/40/79/31/570407931.db2.gz	BMGHBFDZTNAHOF-AWQFTUOYSA-N	0	1	386.843	2.109	50	30		GEEAMN
C#CCOc1ccccc1[C@H]1NC(=N)Nc2nc3cc4c(cc3n21)OCCCO4	ZINC000012506962	570822834	/nfs/dbraw/zinc/82/28/34/570822834.db2.gz	BDMADDLUNFKFAM-IBGZPJMESA-N	0	1	389.415	2.306	50	30		GEEAMN
C=CCOC[C@@H](O)CN[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000036160721	120304896	/nfs/dbraw/zinc/30/48/96/120304896.db2.gz	ILWKYBQHDDJWRK-JKSUJKDBSA-N	0	1	376.413	2.495	50	30		GEEAMN
C=CCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1	ZINC000009138081	212095960	/nfs/dbraw/zinc/09/59/60/212095960.db2.gz	QZAIURPFJOJTJJ-FQEVSTJZSA-N	0	1	384.524	2.014	50	30		GEEAMN
O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(=O)n(-c2ccc(F)cc2)n1	ZINC000053527062	222011304	/nfs/dbraw/zinc/01/13/04/222011304.db2.gz	MMFKMPOIYICFFZ-UHFFFAOYSA-N	0	1	377.339	2.188	50	30		GEEAMN
O=S(=O)(NCC#CCN1CCc2ccccc2C1)c1c(F)cccc1F	ZINC000077197676	222275404	/nfs/dbraw/zinc/27/54/04/222275404.db2.gz	XDEDPPDUTXLNEE-UHFFFAOYSA-N	0	1	376.428	2.305	50	30		GEEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019883172	521758090	/nfs/dbraw/zinc/75/80/90/521758090.db2.gz	CTXJVAHXGOUSBZ-INIZCTEOSA-N	0	1	385.376	2.328	50	30		GEEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1C	ZINC000102523458	523374258	/nfs/dbraw/zinc/37/42/58/523374258.db2.gz	IKUQUAZQLYPXGY-WOOAAIBNSA-N	0	1	395.459	2.382	50	30		GEEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccncc1	ZINC000102496991	523789737	/nfs/dbraw/zinc/78/97/37/523789737.db2.gz	UCAMDAYZCIWZDY-SELCWUDQSA-N	0	1	382.416	2.467	50	30		GEEAMN
COc1ccccc1-c1n[nH]c(NC(=O)CN2C(=O)COc3ccccc32)n1	ZINC000058209566	524277835	/nfs/dbraw/zinc/27/78/35/524277835.db2.gz	OVBBSNUROUIODZ-UHFFFAOYSA-N	0	1	379.376	2.494	50	30		GEEAMN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)s1	ZINC000102485962	526687816	/nfs/dbraw/zinc/68/78/16/526687816.db2.gz	ZNSSNINYFDWFIG-IDTYTIONSA-N	0	1	386.477	2.138	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(O)c1	ZINC000009374929	526834438	/nfs/dbraw/zinc/83/44/38/526834438.db2.gz	UMMVHEVCQAOGLJ-INIZCTEOSA-N	0	1	389.429	2.041	50	30		GEEAMN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1	ZINC000102752823	527603013	/nfs/dbraw/zinc/60/30/13/527603013.db2.gz	PWMAGVQWZAVTTC-UYTDBDHRSA-N	0	1	388.493	2.082	50	30		GEEAMN
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(C#N)cc2F)c1	ZINC000006700855	570543200	/nfs/dbraw/zinc/54/32/00/570543200.db2.gz	FEECMBKLVAINRX-UHFFFAOYSA-N	0	1	396.422	2.488	50	30		GEEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(F)c1	ZINC000009411170	570557534	/nfs/dbraw/zinc/55/75/34/570557534.db2.gz	AFVJXQNWOSSYII-MRXNPFEDSA-N	0	1	391.420	2.474	50	30		GEEAMN