smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOC(=O)c1cccc(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1	ZINC000005009282	520227723	/nfs/dbraw/zinc/22/77/23/520227723.db2.gz	QRKLLPRBDPQMRR-UHFFFAOYSA-N	0	3	376.416	2.846	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883439	524055761	/nfs/dbraw/zinc/05/57/61/524055761.db2.gz	CZIHLEWLTAOQNV-QGZVFWFLSA-N	0	3	399.403	2.718	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102718518	524169139	/nfs/dbraw/zinc/16/91/39/524169139.db2.gz	WZLGVBQNYIZNQV-GHNGSUTGSA-N	0	3	384.432	2.662	50	30		GFEAHN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c(C)n1	ZINC000013734507	527223717	/nfs/dbraw/zinc/22/37/17/527223717.db2.gz	JTOONUDICPAPOL-IBGZPJMESA-N	0	3	394.475	2.623	50	30		GFEAHN
C=CCN1CC[C@H](CNC(=O)c2cccc(-c3cc(C(=O)OC)n(C)c3)c2)C1	ZINC000534631866	570910298	/nfs/dbraw/zinc/91/02/98/570910298.db2.gz	DPSJXHOIBQCQTQ-MRXNPFEDSA-N	0	3	381.476	2.716	50	30		GFEAHN
N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)C2(N3CCCC3)CCCC2)cc1	ZINC000220418325	571046517	/nfs/dbraw/zinc/04/65/17/571046517.db2.gz	ZUXRASOGPIMMOC-WOJBJXKFSA-N	0	3	383.492	2.619	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006787080	204205303	/nfs/dbraw/zinc/20/53/03/204205303.db2.gz	NPBNSIMGFFKPFP-GROYHEBESA-N	0	3	399.403	2.561	50	30		GFEAHN
CSCCCN1CCN(C)C2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1	ZINC000067786580	205259913	/nfs/dbraw/zinc/25/99/13/205259913.db2.gz	PBYLTDPCCQUZSR-UHFFFAOYSA-N	0	3	386.565	2.534	50	30		GFEAHN
Cc1ccc(C2(O)CCN(CCCC(=O)Nc3ccc(C#N)cc3)CC2)nc1	ZINC000067880457	205265707	/nfs/dbraw/zinc/26/57/07/205265707.db2.gz	GDEDKSHUGMZWGQ-UHFFFAOYSA-N	0	3	378.476	2.964	50	30		GFEAHN
C#CCN1CCC(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1	ZINC000058427563	518268198	/nfs/dbraw/zinc/26/81/98/518268198.db2.gz	LAIHMNHCOXGGIJ-MRXNPFEDSA-N	0	3	377.282	2.734	50	30		GFEAHN
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CNC(C)(C)CO)c1=O	ZINC000014992503	518652248	/nfs/dbraw/zinc/65/22/48/518652248.db2.gz	XDTCPSLCVFYBMV-UHFFFAOYSA-N	0	3	380.872	2.632	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000102537275	520654656	/nfs/dbraw/zinc/65/46/56/520654656.db2.gz	AZYSCTCGEYKXHP-LFVOPCPISA-N	0	3	397.450	2.984	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1cccnc1	ZINC000020218951	520656608	/nfs/dbraw/zinc/65/66/08/520656608.db2.gz	VYCWQCPMQMCNTK-XTXLJPNXSA-N	0	3	395.459	2.994	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000019582253	524055010	/nfs/dbraw/zinc/05/50/10/524055010.db2.gz	VTFMQBNHQNYZNO-GOSISDBHSA-N	0	3	383.423	2.751	50	30		GFEAHN
N#Cc1ccnc(N2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)c1	ZINC000048252452	570226846	/nfs/dbraw/zinc/22/68/46/570226846.db2.gz	MHQAIZKHUBSBJI-UHFFFAOYSA-N	0	3	389.503	2.902	50	30		GFEAHN
C=CCOc1c(I)cc(CN[C@H](CC)CO)cc1OC	ZINC000002863719	517336791	/nfs/dbraw/zinc/33/67/91/517336791.db2.gz	ZQMQANHRMSCUAH-GFCCVEGCSA-N	0	3	391.249	2.725	50	30		GFEAHN
C=CCNC(=O)[C@@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@H]12	ZINC000035870705	518921503	/nfs/dbraw/zinc/92/15/03/518921503.db2.gz	JILCWPMGZFVNSI-FYYLOGMGSA-N	0	3	375.516	2.894	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1	ZINC000102723316	520648450	/nfs/dbraw/zinc/64/84/50/520648450.db2.gz	MQNUDWUXLPPCEV-SELCWUDQSA-N	0	3	383.448	2.747	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883437	524054667	/nfs/dbraw/zinc/05/46/67/524054667.db2.gz	CZIHLEWLTAOQNV-KRWDZBQOSA-N	0	3	399.403	2.718	50	30		GFEAHN
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CN[C@H](C)COC)c1=O	ZINC000012149465	570236044	/nfs/dbraw/zinc/23/60/44/570236044.db2.gz	GPVKCUIQXUJZIZ-CYBMUJFWSA-N	0	3	380.872	2.896	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000006812669	204211982	/nfs/dbraw/zinc/21/19/82/204211982.db2.gz	MUESMSRRHIYGAQ-HVESIFNPSA-N	0	3	399.403	2.561	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1	ZINC000013570952	520657093	/nfs/dbraw/zinc/65/70/93/520657093.db2.gz	VKSWPPVVKGCPDD-SFHVURJKSA-N	0	3	383.448	2.903	50	30		GFEAHN
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCO)C1c1ccccc1[N+](=O)[O-]	ZINC000000847031	527631352	/nfs/dbraw/zinc/63/13/52/527631352.db2.gz	VGDWKYIHTBOPOS-GNISGLHKSA-N	0	3	394.383	2.565	50	30		GFEAHN
COCCNC(=O)CCC1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000011878910	570234019	/nfs/dbraw/zinc/23/40/19/570234019.db2.gz	HZMDRLGXUNYAOE-UHFFFAOYSA-N	0	3	392.565	2.625	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013570402	525224207	/nfs/dbraw/zinc/22/42/07/525224207.db2.gz	UFNJKDSMTQEBLS-GOSISDBHSA-N	0	3	384.432	2.818	50	30		GFEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)s1	ZINC000102537909	526688068	/nfs/dbraw/zinc/68/80/68/526688068.db2.gz	HVTQUFCJWXLBQN-DPEHCCBOSA-N	0	3	389.477	2.726	50	30		GFEAHN
C=CCOc1c(Cl)cc(CNCCCSc2nnnn2C)cc1OC	ZINC000007540504	551100895	/nfs/dbraw/zinc/10/08/95/551100895.db2.gz	RZWBNDWQUVSHMN-UHFFFAOYSA-N	0	3	383.905	2.709	50	30		GFEAHN
C=C(Br)CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1	ZINC000106530281	551199900	/nfs/dbraw/zinc/19/99/00/551199900.db2.gz	IUDZSXVAMZLXQU-QGZVFWFLSA-N	0	3	395.345	2.573	50	30		GFEAHN
CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccnc2C#N)c1	ZINC000299769690	206189201	/nfs/dbraw/zinc/18/92/01/206189201.db2.gz	PIMNEDWLUKRRSY-LJQANCHMSA-N	0	3	378.476	2.803	50	30		GFEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)s1	ZINC000013161814	526688276	/nfs/dbraw/zinc/68/82/76/526688276.db2.gz	BCUHKONEMCTGBS-OAHLLOKOSA-N	0	3	389.477	2.883	50	30		GFEAHN
Cc1c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C#N)n1C	ZINC000121867765	570380964	/nfs/dbraw/zinc/38/09/64/570380964.db2.gz	IEHSUUKHFDAQKJ-IYBDPMFKSA-N	0	3	380.492	2.744	50	30		GFEAHN
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1	ZINC000012440357	570676565	/nfs/dbraw/zinc/67/65/65/570676565.db2.gz	KUONBJJBDBCCIP-GOSISDBHSA-N	0	3	382.504	2.729	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000102502892	520652099	/nfs/dbraw/zinc/65/20/99/520652099.db2.gz	HUNNGUWFTCZGSZ-WOOAAIBNSA-N	0	3	397.450	2.984	50	30		GFEAHN
CCN1CCN(c2ccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170272	521699538	/nfs/dbraw/zinc/69/95/38/521699538.db2.gz	UODKSPKTMRKXJN-AVRDEDQJSA-N	0	3	385.556	2.992	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000013725554	521755680	/nfs/dbraw/zinc/75/56/80/521755680.db2.gz	QDFVXMCOOYIMOW-IBGZPJMESA-N	0	3	390.443	2.703	50	30		GFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1	ZINC000019582265	523553709	/nfs/dbraw/zinc/55/37/09/523553709.db2.gz	DVHVHJOAURCWFY-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102734035	524106474	/nfs/dbraw/zinc/10/64/74/524106474.db2.gz	UZWYTCVKJOGHBI-LFVOPCPISA-N	0	3	398.459	2.970	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000004041244	526021507	/nfs/dbraw/zinc/02/15/07/526021507.db2.gz	HDCIACRHTATPHR-IBGZPJMESA-N	0	3	379.460	2.920	50	30		GFEAHN
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CN[C@@H](C)COC)c1=O	ZINC000012149466	570235687	/nfs/dbraw/zinc/23/56/87/570235687.db2.gz	GPVKCUIQXUJZIZ-ZDUSSCGKSA-N	0	3	380.872	2.896	50	30		GFEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1cccnc1)C2	ZINC000014531029	570245005	/nfs/dbraw/zinc/24/50/05/570245005.db2.gz	KNIQFUCQWVQPLF-GOSISDBHSA-N	0	3	379.508	2.737	50	30		GFEAHN
COc1nccc(-c2cccc(C(=O)N3[C@@H]4CC[C@H]3CN(C)CC4)c2)c1C#N	ZINC000299763520	206186605	/nfs/dbraw/zinc/18/66/05/206186605.db2.gz	XJPNSTXTJKQKJK-MSOLQXFVSA-N	0	3	376.460	2.938	50	30		GFEAHN
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1	ZINC000050680019	518804503	/nfs/dbraw/zinc/80/45/03/518804503.db2.gz	OEOPMQOMVIQLDR-GDBMZVCRSA-N	0	3	377.485	2.791	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1F	ZINC000102749795	523374678	/nfs/dbraw/zinc/37/46/78/523374678.db2.gz	VQLUWBJTCRVHQL-LFVOPCPISA-N	0	3	398.434	2.818	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102934836	525214895	/nfs/dbraw/zinc/21/48/95/525214895.db2.gz	GSSMFZGFAAQQHS-YDJIHCHBSA-N	0	3	394.471	2.987	50	30		GFEAHN
COCCN1CC[C@H](CNC(=O)c2ccc(-c3nc(C)cc(C)c3C#N)cc2)C1	ZINC000426707291	231254454	/nfs/dbraw/zinc/25/44/54/231254454.db2.gz	XIEKKMBXAUGNAH-GOSISDBHSA-N	0	3	392.503	2.935	50	30		GFEAHN
COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nc(C)ccc1C#N)C2	ZINC000095364194	136178258	/nfs/dbraw/zinc/17/82/58/136178258.db2.gz	ZEJRKSOEVMBBFR-SJBKTWHCSA-N	0	3	384.524	2.606	50	30		GFEAHN
CC(C)(O)C#Cc1ccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)s1	ZINC000020998131	519329250	/nfs/dbraw/zinc/32/92/50/519329250.db2.gz	RBKVGBLUZIJCPA-KRWDZBQOSA-N	0	3	378.582	2.785	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000006160681	524054797	/nfs/dbraw/zinc/05/47/97/524054797.db2.gz	VBZKQQBBKOHNLM-SELCWUDQSA-N	0	3	383.423	2.594	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013570554	524174052	/nfs/dbraw/zinc/17/40/52/524174052.db2.gz	SBTUHSVXTPDLMV-SFHVURJKSA-N	0	3	384.432	2.818	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000018063120	525390970	/nfs/dbraw/zinc/39/09/70/525390970.db2.gz	XDORZHMSUPGPDO-IBGZPJMESA-N	0	3	380.444	2.835	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)c1	ZINC000020227556	525783556	/nfs/dbraw/zinc/78/35/56/525783556.db2.gz	DEPOCNMREGHSDL-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
COC(=O)[C@]12O[C@]13C[C@@H](c1ccccc1)N(Cc1ccccc1)C[C@@]3(C)OC2=O	ZINC000169683508	570615095	/nfs/dbraw/zinc/61/50/95/570615095.db2.gz	DHGLVUTYAZQSJK-OUFMZXHOSA-N	0	3	393.439	2.630	50	30		GFEAHN
Cn1cc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1C#N	ZINC000095391692	208179065	/nfs/dbraw/zinc/17/90/65/208179065.db2.gz	MJXADJRFDCVVFJ-WWPVKYPJSA-N	0	3	390.487	2.688	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1C	ZINC000000922295	523561006	/nfs/dbraw/zinc/56/10/06/523561006.db2.gz	OXRWIEYRVGFINH-IBGZPJMESA-N	0	3	395.459	2.539	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000005445164	524054163	/nfs/dbraw/zinc/05/41/63/524054163.db2.gz	BFXKCBCZXXGXTQ-GHNGSUTGSA-N	0	3	383.423	2.594	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1	ZINC000004311386	526021903	/nfs/dbraw/zinc/02/19/03/526021903.db2.gz	NIKFOIDCPAASLX-IBGZPJMESA-N	0	3	379.460	2.920	50	30		GFEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)s1	ZINC000012595271	570238166	/nfs/dbraw/zinc/23/81/66/570238166.db2.gz	VIJKBKVQADRIEP-QGZVFWFLSA-N	0	3	397.544	2.908	50	30		GFEAHN
Cc1c(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc(C#N)n1C	ZINC000121867922	570380996	/nfs/dbraw/zinc/38/09/96/570380996.db2.gz	IEHSUUKHFDAQKJ-HZPDHXFCSA-N	0	3	380.492	2.744	50	30		GFEAHN
C=CCN1CC[C@@H](CNC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1	ZINC000534653007	570914666	/nfs/dbraw/zinc/91/46/66/570914666.db2.gz	AXMVBXMNSAPIFV-HNNXBMFYSA-N	0	3	375.476	2.880	50	30		GFEAHN
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@@H]3COCCN(C)C3)c2)n1	ZINC000426496692	231230507	/nfs/dbraw/zinc/23/05/07/231230507.db2.gz	NJSGEINDBLOOKN-KRWDZBQOSA-N	0	3	378.476	2.545	50	30		GFEAHN
C=CCN1CC[C@]2(CN(Cc3ccc(OC)cc3F)CCN2C)CCC1=O	ZINC000092045934	518869298	/nfs/dbraw/zinc/86/92/98/518869298.db2.gz	OWAFMIZIAUAUQA-NRFANRHFSA-N	0	3	375.488	2.519	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102733418	524169056	/nfs/dbraw/zinc/16/90/56/524169056.db2.gz	XEYOYIRIPSHBMS-NHFXJNLRSA-N	0	3	394.471	2.987	50	30		GFEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCCN(C)C	ZINC000020219578	524805848	/nfs/dbraw/zinc/80/58/48/524805848.db2.gz	MEKQVYINPRXTEY-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1	ZINC000006243547	570347914	/nfs/dbraw/zinc/34/79/14/570347914.db2.gz	DKMBLFZYOFIIQO-GROYHEBESA-N	0	3	385.489	2.907	50	30		GFEAHN
N#CC1(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)CCOCC1	ZINC000091350701	571003945	/nfs/dbraw/zinc/00/39/45/571003945.db2.gz	BNIUOWWPSXQGMW-LEWJYISDSA-N	0	3	381.520	2.862	50	30		GFEAHN
CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1	ZINC000019831217	519368296	/nfs/dbraw/zinc/36/82/96/519368296.db2.gz	ZKHHTZOWEPAJDF-HNNXBMFYSA-N	0	3	381.270	2.685	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000018086729	525221080	/nfs/dbraw/zinc/22/10/80/525221080.db2.gz	XVGQQHGKOOXVFC-LJQANCHMSA-N	0	3	398.434	2.974	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000004041245	526021490	/nfs/dbraw/zinc/02/14/90/526021490.db2.gz	HDCIACRHTATPHR-LJQANCHMSA-N	0	3	379.460	2.920	50	30		GFEAHN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccs1	ZINC000013722167	526483618	/nfs/dbraw/zinc/48/36/18/526483618.db2.gz	OKNJNQCAKKYWNB-MRXNPFEDSA-N	0	3	388.493	2.618	50	30		GFEAHN
C=CCN1CC[C@H](CNC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1	ZINC000534653008	570914762	/nfs/dbraw/zinc/91/47/62/570914762.db2.gz	AXMVBXMNSAPIFV-OAHLLOKOSA-N	0	3	375.476	2.880	50	30		GFEAHN
N#Cc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1	ZINC000082146499	208083749	/nfs/dbraw/zinc/08/37/49/208083749.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	0	3	377.492	2.729	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000006785353	520653388	/nfs/dbraw/zinc/65/33/88/520653388.db2.gz	GOSSHUNXDNSCCC-WOOAAIBNSA-N	0	3	397.450	2.984	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1C	ZINC000000922302	523556560	/nfs/dbraw/zinc/55/65/60/523556560.db2.gz	OXRWIEYRVGFINH-LJQANCHMSA-N	0	3	395.459	2.539	50	30		GFEAHN
COc1ccc(CCCNC(=O)C(C#N)c2nnc(-c3ccccc3)n2C)cc1	ZINC000095453894	523936724	/nfs/dbraw/zinc/93/67/24/523936724.db2.gz	LFSDYYWNJIQMLN-IBGZPJMESA-N	0	3	389.459	2.847	50	30		GFEAHN
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000103613643	525208452	/nfs/dbraw/zinc/20/84/52/525208452.db2.gz	TZVFNPIEKVOUGI-YOEHRIQHSA-N	0	3	392.459	2.845	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c1	ZINC000020219609	525782581	/nfs/dbraw/zinc/78/25/81/525782581.db2.gz	GJQBCINFKDRJJZ-IBGZPJMESA-N	0	3	398.434	2.974	50	30		GFEAHN
C=CCN(CC=C)[C@@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C(C)C	ZINC000023030491	570885347	/nfs/dbraw/zinc/88/53/47/570885347.db2.gz	LIAZHSORYPNPTC-SFHVURJKSA-N	0	3	396.513	2.613	50	30		GFEAHN
COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc(C#N)cn2C)C1	ZINC000095509020	208210798	/nfs/dbraw/zinc/21/07/98/208210798.db2.gz	YSCOQYWYVUNQMS-GOSISDBHSA-N	0	3	394.519	2.932	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000102930480	521755468	/nfs/dbraw/zinc/75/54/68/521755468.db2.gz	XREGWRJQRNLUAU-GROYHEBESA-N	0	3	385.851	2.718	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)c(C)c1	ZINC000018142367	523556371	/nfs/dbraw/zinc/55/63/71/523556371.db2.gz	FQLOTYDAKXOXLS-LJQANCHMSA-N	0	3	395.459	2.539	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000019938510	524054938	/nfs/dbraw/zinc/05/49/38/524054938.db2.gz	ZGKQQCHFZNIMHW-SFHVURJKSA-N	0	3	383.423	2.751	50	30		GFEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCCN(C)C	ZINC000020219579	524745751	/nfs/dbraw/zinc/74/57/51/524745751.db2.gz	MEKQVYINPRXTEY-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102929424	525382366	/nfs/dbraw/zinc/38/23/66/525382366.db2.gz	DVMLYHAPRGDUKK-WOOAAIBNSA-N	0	3	380.444	2.679	50	30		GFEAHN
O=C([C@@H]1CCCO1)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096309722	526474578	/nfs/dbraw/zinc/47/45/78/526474578.db2.gz	XEEKLAVPNUZUDK-KRWDZBQOSA-N	0	3	383.496	2.800	50	30		GFEAHN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c(C)n1	ZINC000013734510	527223029	/nfs/dbraw/zinc/22/30/29/527223029.db2.gz	JTOONUDICPAPOL-LJQANCHMSA-N	0	3	394.475	2.623	50	30		GFEAHN
CC(C)(C(C#N)C(N)=O)[C@@H](C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000028465551	551124586	/nfs/dbraw/zinc/12/45/86/551124586.db2.gz	JCZPTIDCKVLIMB-AAEUAGOBSA-N	0	3	376.869	2.684	50	30		GFEAHN
COC(=O)[C@]12O[C@]13C[C@H](c1ccccc1)N(Cc1ccccc1)C[C@]3(C)OC2=O	ZINC000252599241	571004653	/nfs/dbraw/zinc/00/46/53/571004653.db2.gz	DHGLVUTYAZQSJK-HGSOSGBHSA-N	0	3	393.439	2.630	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000020219597	207183838	/nfs/dbraw/zinc/18/38/38/207183838.db2.gz	NFDZRXCIUUWWFN-GOSISDBHSA-N	0	3	383.423	2.751	50	30		GFEAHN
Cc1c(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc(C#N)n1C	ZINC000121868057	570380985	/nfs/dbraw/zinc/38/09/85/570380985.db2.gz	IEHSUUKHFDAQKJ-HOTGVXAUSA-N	0	3	380.492	2.744	50	30		GFEAHN
C=CCOc1c(Br)cc(C=NNC(=N)N)cc1Br	ZINC000006819950	570495921	/nfs/dbraw/zinc/49/59/21/570495921.db2.gz	NYDLSOSISSPKOY-OMCISZLKSA-N	0	3	376.052	2.593	50	30		GFEAHN
N=c1n(CCN2CCCCC2)c2ccccc2n1N=Cc1ccc([N+](=O)[O-])o1	ZINC000252593848	571002898	/nfs/dbraw/zinc/00/28/98/571002898.db2.gz	BNCIJNWMEXNRRV-UHFFFAOYSA-N	0	3	382.424	2.792	50	30		GFEAHN
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@H]3COCCN(C)C3)c2)n1	ZINC000426496693	231230392	/nfs/dbraw/zinc/23/03/92/231230392.db2.gz	NJSGEINDBLOOKN-QGZVFWFLSA-N	0	3	378.476	2.545	50	30		GFEAHN
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000017859007	522919042	/nfs/dbraw/zinc/91/90/42/522919042.db2.gz	UQHBTPDLUOCCAY-LJQANCHMSA-N	0	3	396.443	2.541	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000013131012	524171728	/nfs/dbraw/zinc/17/17/28/524171728.db2.gz	ZJYFSBKCUXHACP-IBGZPJMESA-N	0	3	398.434	2.974	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219548	525223998	/nfs/dbraw/zinc/22/39/98/525223998.db2.gz	XWGYRYZVLWVVGA-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102934833	525383059	/nfs/dbraw/zinc/38/30/59/525383059.db2.gz	GSSMFZGFAAQQHS-NHFXJNLRSA-N	0	3	394.471	2.987	50	30		GFEAHN
C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2CC)C1	ZINC000014538941	570244705	/nfs/dbraw/zinc/24/47/05/570244705.db2.gz	PWMUYPHMCIBIFE-SFHVURJKSA-N	0	3	379.508	2.759	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000006787089	570593116	/nfs/dbraw/zinc/59/31/16/570593116.db2.gz	MUESMSRRHIYGAQ-GROYHEBESA-N	0	3	399.403	2.561	50	30		GFEAHN
C=CCNC(=O)[C@@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@@H]12	ZINC000169680252	570600634	/nfs/dbraw/zinc/60/06/34/570600634.db2.gz	JILCWPMGZFVNSI-GGAORHGYSA-N	0	3	375.516	2.894	50	30		GFEAHN
C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@@H]12	ZINC000169681647	570601831	/nfs/dbraw/zinc/60/18/31/570601831.db2.gz	QYKFXDSEKMJJOS-QUCCMNQESA-N	0	3	384.480	2.503	50	30		GFEAHN
COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(C)c(C#N)c(C)n1)C2	ZINC000095371915	136178501	/nfs/dbraw/zinc/17/85/01/136178501.db2.gz	YLSJKIYVOFKLBE-VIZSFHNOSA-N	0	3	398.551	2.914	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000019880472	521759334	/nfs/dbraw/zinc/75/93/34/521759334.db2.gz	NMWLYUOVLGLMKL-LJQANCHMSA-N	0	3	394.427	2.555	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C	ZINC000102925350	523373062	/nfs/dbraw/zinc/37/30/62/523373062.db2.gz	IHMGBYHNXDCTFZ-NHFXJNLRSA-N	0	3	394.471	2.987	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102734032	524169481	/nfs/dbraw/zinc/16/94/81/524169481.db2.gz	UZWYTCVKJOGHBI-WOOAAIBNSA-N	0	3	398.459	2.970	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000019582792	524171909	/nfs/dbraw/zinc/17/19/09/524171909.db2.gz	RECOENDLZRKGEN-IBGZPJMESA-N	0	3	380.444	2.835	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c1	ZINC000019973838	525782410	/nfs/dbraw/zinc/78/24/10/525782410.db2.gz	IQNWTXPZLCYXDC-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
C=CCn1c(CNC(=O)C2CCCCC2)nnc1SCCN1CCCC1	ZINC000299779560	570653182	/nfs/dbraw/zinc/65/31/82/570653182.db2.gz	UOLHXRMNXIZRSL-UHFFFAOYSA-N	0	3	377.558	2.849	50	30		GFEAHN
N#Cc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)cc1	ZINC000011380571	570996377	/nfs/dbraw/zinc/99/63/77/570996377.db2.gz	ZSRBWJREXLRCII-UHFFFAOYSA-N	0	3	378.392	2.715	50	30		GFEAHN
N#Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1	ZINC000092002141	211212384	/nfs/dbraw/zinc/21/23/84/211212384.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	0	3	377.492	2.729	50	30		GFEAHN
N#Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cc1	ZINC000092002141	211212387	/nfs/dbraw/zinc/21/23/87/211212387.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	0	3	377.492	2.729	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1	ZINC000006813037	570495003	/nfs/dbraw/zinc/49/50/03/570495003.db2.gz	GCNQCRDLGFVJDR-LJQANCHMSA-N	0	3	379.460	2.920	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1	ZINC000005408692	570585985	/nfs/dbraw/zinc/58/59/85/570585985.db2.gz	LCJIYDFAPKTIKH-GHNGSUTGSA-N	0	3	384.432	2.662	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000005576782	570659330	/nfs/dbraw/zinc/65/93/30/570659330.db2.gz	DMBLADHGUYZCDF-SELCWUDQSA-N	0	3	383.423	2.594	50	30		GFEAHN
N#Cc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccsc2)CC1	ZINC000043940924	571048389	/nfs/dbraw/zinc/04/83/89/571048389.db2.gz	YWRWVCNFXNRHBS-UHFFFAOYSA-N	0	3	382.489	2.587	50	30		GFEAHN
CCCN1CCc2nc(N)c(C#N)c(-c3cc(OC)c(OC)c(OC)c3)c2C1	ZINC000018241838	210218645	/nfs/dbraw/zinc/21/86/45/210218645.db2.gz	GMGMNCSZQFQFHR-UHFFFAOYSA-N	0	3	382.464	2.996	50	30		GFEAHN
Cc1noc(C)c1CN1CC2(CC1=O)CCN(Cc1cc(C#N)n(C)c1)CC2	ZINC000091391070	211189399	/nfs/dbraw/zinc/18/93/99/211189399.db2.gz	AMKBHNGXOIYLKO-UHFFFAOYSA-N	0	3	381.480	2.516	50	30		GFEAHN
COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000089340145	211180649	/nfs/dbraw/zinc/18/06/49/211180649.db2.gz	COTHDHSNQQKCGM-GCJKJVERSA-N	0	3	381.476	2.820	50	30		GFEAHN
C=CCC(O)(CC=C)[C@@H](C)NCc1c(C(=O)N2CCCC2)nc2sccn12	ZINC000012317488	518688509	/nfs/dbraw/zinc/68/85/09/518688509.db2.gz	YYEQMMJGRXKADZ-OAHLLOKOSA-N	0	3	388.537	2.993	50	30		GFEAHN
COc1cc(C=NNC(=N)N)cc(Br)c1OCc1ccccc1F	ZINC000033362289	522004384	/nfs/dbraw/zinc/00/43/84/522004384.db2.gz	AYOOHQZILYGILI-WNFQYIGGSA-N	0	3	395.232	2.993	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C	ZINC000102925353	523375499	/nfs/dbraw/zinc/37/54/99/523375499.db2.gz	IHMGBYHNXDCTFZ-YDJIHCHBSA-N	0	3	394.471	2.987	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000019831283	523554841	/nfs/dbraw/zinc/55/48/41/523554841.db2.gz	MCPLPBZVPNWSGZ-IBGZPJMESA-N	0	3	380.444	2.835	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000013131013	524112551	/nfs/dbraw/zinc/11/25/51/524112551.db2.gz	ZJYFSBKCUXHACP-LJQANCHMSA-N	0	3	398.434	2.974	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000005576907	524168144	/nfs/dbraw/zinc/16/81/44/524168144.db2.gz	MQDWRRKLSGTPRN-WOOAAIBNSA-N	0	3	398.434	2.818	50	30		GFEAHN
Cc1cc(CN2CCC(CNC(=O)C(=O)Nc3ccccc3C#N)CC2)c(C)o1	ZINC000043941079	571048314	/nfs/dbraw/zinc/04/83/14/571048314.db2.gz	JRCJQTAKYDZQFQ-UHFFFAOYSA-N	0	3	394.475	2.735	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000102879786	520653067	/nfs/dbraw/zinc/65/30/67/520653067.db2.gz	UAHDBZAZEIJCEZ-LFVOPCPISA-N	0	3	397.450	2.984	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)c1	ZINC000020227554	525782374	/nfs/dbraw/zinc/78/23/74/525782374.db2.gz	DEPOCNMREGHSDL-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1	ZINC000005408682	570585711	/nfs/dbraw/zinc/58/57/11/570585711.db2.gz	LCJIYDFAPKTIKH-SELCWUDQSA-N	0	3	384.432	2.662	50	30		GFEAHN
COCCN1CC[C@@H](CNC(=O)c2ccc(-c3nc(C)cc(C)c3C#N)cc2)C1	ZINC000426707292	532974589	/nfs/dbraw/zinc/97/45/89/532974589.db2.gz	XIEKKMBXAUGNAH-SFHVURJKSA-N	0	3	392.503	2.935	50	30		GFEAHN
C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1	ZINC000057138197	518268350	/nfs/dbraw/zinc/26/83/50/518268350.db2.gz	JURLATRICMWOBD-ZDUSSCGKSA-N	0	3	379.298	2.980	50	30		GFEAHN
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1	ZINC000050680016	518808013	/nfs/dbraw/zinc/80/80/13/518808013.db2.gz	OEOPMQOMVIQLDR-GOEBONIOSA-N	0	3	377.485	2.791	50	30		GFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000019972719	523551628	/nfs/dbraw/zinc/55/16/28/523551628.db2.gz	IESQBLAARYTMMD-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000006187664	524054624	/nfs/dbraw/zinc/05/46/24/524054624.db2.gz	YRBNTJSNNFUXPA-SELCWUDQSA-N	0	3	383.423	2.594	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102689070	524105687	/nfs/dbraw/zinc/10/56/87/524105687.db2.gz	UUXBKRLJOISNDB-LFVOPCPISA-N	0	3	380.444	2.679	50	30		GFEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)s1	ZINC000013161808	526687652	/nfs/dbraw/zinc/68/76/52/526687652.db2.gz	BCUHKONEMCTGBS-HNNXBMFYSA-N	0	3	389.477	2.883	50	30		GFEAHN
C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2CC)C1	ZINC000014538942	570244927	/nfs/dbraw/zinc/24/49/27/570244927.db2.gz	PWMUYPHMCIBIFE-GOSISDBHSA-N	0	3	379.508	2.759	50	30		GFEAHN
COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-]	ZINC000004494737	570378729	/nfs/dbraw/zinc/37/87/29/570378729.db2.gz	RWMHILVQGINORY-QGZVFWFLSA-N	0	3	382.372	2.820	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000005576822	570659477	/nfs/dbraw/zinc/65/94/77/570659477.db2.gz	DMBLADHGUYZCDF-GHNGSUTGSA-N	0	3	383.423	2.594	50	30		GFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cc(C)on1	ZINC000032777068	570799491	/nfs/dbraw/zinc/79/94/91/570799491.db2.gz	VVHXKTREYQKMIJ-UHFFFAOYSA-N	0	3	390.513	2.520	50	30		GFEAHN
COc1ccccc1CCN1CCC(CN(C)C(=O)c2cc(C#N)cn2C)CC1	ZINC000095522525	211269936	/nfs/dbraw/zinc/26/99/36/211269936.db2.gz	ALFYQDKOTREVBL-UHFFFAOYSA-N	0	3	394.519	2.932	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000102502884	520652053	/nfs/dbraw/zinc/65/20/53/520652053.db2.gz	HUNNGUWFTCZGSZ-LFVOPCPISA-N	0	3	397.450	2.984	50	30		GFEAHN
N#Cc1cccc(-c2ccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)cc2)c1	ZINC000426656904	534800512	/nfs/dbraw/zinc/80/05/12/534800512.db2.gz	HHNMOYKWHJFZKX-VXKWHMMOSA-N	0	3	375.472	2.896	50	30		GFEAHN
C#Cc1ccc(CN2CCN(C)C3(CCN(C(=O)c4ccco4)CC3)C2)cc1	ZINC000067459414	570409313	/nfs/dbraw/zinc/40/93/13/570409313.db2.gz	QWRARDZEGGXBQW-UHFFFAOYSA-N	0	3	377.488	2.683	50	30		GFEAHN
Cc1ccc2nc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cc(=O)n2c1	ZINC000022819105	570553723	/nfs/dbraw/zinc/55/37/23/570553723.db2.gz	IFKDVLUKIJWYPL-UHFFFAOYSA-N	0	3	387.487	2.583	50	30		GFEAHN
C=CCNC(=O)[C@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@@H]12	ZINC000169680253	570600794	/nfs/dbraw/zinc/60/07/94/570600794.db2.gz	JILCWPMGZFVNSI-GMAHTHKFSA-N	0	3	375.516	2.894	50	30		GFEAHN
C#CCOc1c(Cl)cc(CNC[C@@H]2CN(CC(C)C)CCO2)cc1OC	ZINC000025365126	518317259	/nfs/dbraw/zinc/31/72/59/518317259.db2.gz	YXRFFJHORJXMNO-QGZVFWFLSA-N	0	3	380.916	2.807	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1	ZINC000102723322	520648167	/nfs/dbraw/zinc/64/81/67/520648167.db2.gz	MQNUDWUXLPPCEV-GHNGSUTGSA-N	0	3	383.448	2.747	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000019831281	523555078	/nfs/dbraw/zinc/55/50/78/523555078.db2.gz	MCPLPBZVPNWSGZ-LJQANCHMSA-N	0	3	380.444	2.835	50	30		GFEAHN
CN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1	ZINC000004325527	523929528	/nfs/dbraw/zinc/92/95/28/523929528.db2.gz	WMQLPZYEQUYZNX-KRWDZBQOSA-N	0	3	393.491	2.865	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000020219587	524055820	/nfs/dbraw/zinc/05/58/20/524055820.db2.gz	SSQYANOTYFUMRE-SFHVURJKSA-N	0	3	383.423	2.751	50	30		GFEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCN(C)C	ZINC000019880430	524748255	/nfs/dbraw/zinc/74/82/55/524748255.db2.gz	KICURQRJGSBVGS-LJQANCHMSA-N	0	3	380.444	2.835	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1	ZINC000020219608	525783589	/nfs/dbraw/zinc/78/35/89/525783589.db2.gz	GJQBCINFKDRJJZ-LJQANCHMSA-N	0	3	398.434	2.974	50	30		GFEAHN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)s1	ZINC000102537902	526688839	/nfs/dbraw/zinc/68/88/39/526688839.db2.gz	HVTQUFCJWXLBQN-IDTYTIONSA-N	0	3	389.477	2.726	50	30		GFEAHN
CC(C)CCN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO	ZINC000020542168	570283596	/nfs/dbraw/zinc/28/35/96/570283596.db2.gz	IREYIGBGHXNKIL-SFHVURJKSA-N	0	3	378.582	2.785	50	30		GFEAHN
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2C1=O	ZINC000012996626	570410807	/nfs/dbraw/zinc/41/08/07/570410807.db2.gz	WXRRRRCNXYYHPF-IBGZPJMESA-N	0	3	377.444	2.501	50	30		GFEAHN
N#CCSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21	ZINC000002967959	526476292	/nfs/dbraw/zinc/47/62/92/526476292.db2.gz	GZOHPYDBVNZHMQ-MRXNPFEDSA-N	0	3	395.488	2.741	50	30		GFEAHN
O=[N+]([O-])c1ccc(/C=N/N=C2/C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1	ZINC000100694472	527344131	/nfs/dbraw/zinc/34/41/31/527344131.db2.gz	OEXJBAQWVNOELX-VCASSKIBSA-N	0	3	389.459	2.569	50	30		GFEAHN
CC(C)(C(C#N)C(N)=O)[C@H](C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000028465560	551124552	/nfs/dbraw/zinc/12/45/52/551124552.db2.gz	JCZPTIDCKVLIMB-WCQYABFASA-N	0	3	376.869	2.684	50	30		GFEAHN
C=CCOc1c(I)cc(CN[C@@H](CC)CO)cc1OC	ZINC000002863718	570401570	/nfs/dbraw/zinc/40/15/70/570401570.db2.gz	ZQMQANHRMSCUAH-LBPRGKRZSA-N	0	3	391.249	2.725	50	30		GFEAHN
CC(C)(C)c1nn2cnnc2n(NC=CC2=Nc3ccccc3C2(C)C)c1=O	ZINC000005243102	220848472	/nfs/dbraw/zinc/84/84/72/220848472.db2.gz	WETQGTKPIQJLCH-QLRDGPKKSA-N	0	3	377.452	2.705	50	30		GFEAHN
N#Cc1ccc(NC(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)cc1	ZINC000012919496	221245852	/nfs/dbraw/zinc/24/58/52/221245852.db2.gz	OPCQRILLAAIBFN-UHFFFAOYSA-N	0	3	390.487	2.915	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1F	ZINC000102749796	523375136	/nfs/dbraw/zinc/37/51/36/523375136.db2.gz	VQLUWBJTCRVHQL-WOOAAIBNSA-N	0	3	398.434	2.818	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1	ZINC000006243550	570348002	/nfs/dbraw/zinc/34/80/02/570348002.db2.gz	DKMBLFZYOFIIQO-HVESIFNPSA-N	0	3	385.489	2.907	50	30		GFEAHN
C=CCN1C(=O)c2ccc(C(=O)N[C@H](CN(C)C)c3ccccc3)cc2C1=O	ZINC000007817721	212090828	/nfs/dbraw/zinc/09/08/28/212090828.db2.gz	MKTGAZDXNHVVMY-LJQANCHMSA-N	0	3	377.444	2.501	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1	ZINC000019973841	525781329	/nfs/dbraw/zinc/78/13/29/525781329.db2.gz	YHMDEEKJDBSGJY-SFHVURJKSA-N	0	3	384.432	2.818	50	30		GFEAHN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1	ZINC000013728193	526482527	/nfs/dbraw/zinc/48/25/27/526482527.db2.gz	YTIRZNSFNLTIEF-GOSISDBHSA-N	0	3	382.464	2.557	50	30		GFEAHN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccs1	ZINC000013722166	526483896	/nfs/dbraw/zinc/48/38/96/526483896.db2.gz	OKNJNQCAKKYWNB-INIZCTEOSA-N	0	3	388.493	2.618	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1	ZINC000013570954	520656296	/nfs/dbraw/zinc/65/62/96/520656296.db2.gz	VKSWPPVVKGCPDD-GOSISDBHSA-N	0	3	383.448	2.903	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000102737808	521755865	/nfs/dbraw/zinc/75/58/65/521755865.db2.gz	APXLVXGJUBISKL-LFVOPCPISA-N	0	3	390.443	2.546	50	30		GFEAHN
O=C(NCCN(CCN1CCCCCC1)C(=O)c1ccccn1)c1ccccn1	ZINC000328591974	534750866	/nfs/dbraw/zinc/75/08/66/534750866.db2.gz	JSKMLKPQSATJDT-UHFFFAOYSA-N	0	3	395.507	2.800	50	30		GFEAHN
OCCC#Cc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)cc1	ZINC000019836933	527529977	/nfs/dbraw/zinc/52/99/77/527529977.db2.gz	KDIFQRONDBOROA-VWLOTQADSA-N	0	3	392.543	2.532	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1	ZINC000005799882	570693079	/nfs/dbraw/zinc/69/30/79/570693079.db2.gz	CIVOGRVVOIPTCO-LFVOPCPISA-N	0	3	380.444	2.679	50	30		GFEAHN
C=CCN1CCN(Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)CC1	ZINC000048501578	570964418	/nfs/dbraw/zinc/96/44/18/570964418.db2.gz	HEUGZROVYOQVBT-UHFFFAOYSA-N	0	3	387.487	2.803	50	30		GFEAHN
C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000012035955	212095982	/nfs/dbraw/zinc/09/59/82/212095982.db2.gz	MZVFTOIVRMRLBG-JOCHJYFZSA-N	0	3	399.491	2.904	50	30		GFEAHN
C=CCn1cc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1	ZINC000095372398	519281365	/nfs/dbraw/zinc/28/13/65/519281365.db2.gz	KGJKHDPWVMPHJL-WWPVKYPJSA-N	0	3	392.503	2.860	50	30		GFEAHN
CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1	ZINC000019831219	519368433	/nfs/dbraw/zinc/36/84/33/519368433.db2.gz	ZKHHTZOWEPAJDF-OAHLLOKOSA-N	0	3	381.270	2.685	50	30		GFEAHN
CC(C)CCN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO	ZINC000036385725	519653803	/nfs/dbraw/zinc/65/38/03/519653803.db2.gz	IREYIGBGHXNKIL-GOSISDBHSA-N	0	3	378.582	2.785	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000019880468	521754465	/nfs/dbraw/zinc/75/44/65/521754465.db2.gz	NMWLYUOVLGLMKL-IBGZPJMESA-N	0	3	394.427	2.555	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1	ZINC000005884115	525757498	/nfs/dbraw/zinc/75/74/98/525757498.db2.gz	AHDIKARPYRLQDP-NHFXJNLRSA-N	0	3	394.471	2.987	50	30		GFEAHN
OCCC#Cc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cc1	ZINC000103650688	527529570	/nfs/dbraw/zinc/52/95/70/527529570.db2.gz	KDIFQRONDBOROA-RUZDIDTESA-N	0	3	392.543	2.532	50	30		GFEAHN
CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000012992909	221253762	/nfs/dbraw/zinc/25/37/62/221253762.db2.gz	AIKRKFPWBHEMNG-FQEVSTJZSA-N	0	3	377.492	2.589	50	30		GFEAHN
COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2cc(C#N)cn2C)cc1	ZINC000095524661	222348648	/nfs/dbraw/zinc/34/86/48/222348648.db2.gz	MZVSZQHJEMIJEJ-UHFFFAOYSA-N	0	3	394.519	2.932	50	30		GFEAHN
CCN1CCN(c2ccc(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170273	521699061	/nfs/dbraw/zinc/69/90/61/521699061.db2.gz	UODKSPKTMRKXJN-GCJKJVERSA-N	0	3	385.556	2.992	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccco1	ZINC000013124736	524054604	/nfs/dbraw/zinc/05/46/04/524054604.db2.gz	YRMRMVCNOWEVIJ-SFHVURJKSA-N	0	3	398.415	2.538	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000019582251	524054870	/nfs/dbraw/zinc/05/48/70/524054870.db2.gz	VTFMQBNHQNYZNO-SFHVURJKSA-N	0	3	383.423	2.751	50	30		GFEAHN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCN(C)C	ZINC000005445203	524744283	/nfs/dbraw/zinc/74/42/83/524744283.db2.gz	DWEFKHCXUOCKFT-LFVOPCPISA-N	0	3	380.444	2.679	50	30		GFEAHN
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000008231780	525405176	/nfs/dbraw/zinc/40/51/76/525405176.db2.gz	VNZOQAZDTYYSCY-UHFFFAOYSA-N	0	3	392.503	2.708	50	30		GFEAHN
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1cccnc1)C2	ZINC000014531028	570244982	/nfs/dbraw/zinc/24/49/82/570244982.db2.gz	KNIQFUCQWVQPLF-SFHVURJKSA-N	0	3	379.508	2.737	50	30		GFEAHN
COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)C1	ZINC000095509019	222340725	/nfs/dbraw/zinc/34/07/25/222340725.db2.gz	YSCOQYWYVUNQMS-SFHVURJKSA-N	0	3	394.519	2.932	50	30		GFEAHN
C=CCOc1ccc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)cc1	ZINC000095384614	519034199	/nfs/dbraw/zinc/03/41/99/519034199.db2.gz	LRNVFQQVEILSBK-NFBKMPQASA-N	0	3	399.535	2.726	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000102876414	520651234	/nfs/dbraw/zinc/65/12/34/520651234.db2.gz	KKWRATWOIBEUTO-WOOAAIBNSA-N	0	3	397.450	2.984	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000005489622	523373650	/nfs/dbraw/zinc/37/36/50/523373650.db2.gz	BVLDNKQOKBFKKJ-WOOAAIBNSA-N	0	3	380.444	2.679	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102718516	524104999	/nfs/dbraw/zinc/10/49/99/524104999.db2.gz	WZLGVBQNYIZNQV-SELCWUDQSA-N	0	3	384.432	2.662	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020219549	524111829	/nfs/dbraw/zinc/11/18/29/524111829.db2.gz	LYNZEGOVJSLVNH-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1COc2ccc(Br)cc21	ZINC000136883530	570478891	/nfs/dbraw/zinc/47/88/91/570478891.db2.gz	JPRNOFAPXNWPJX-UONOGXRCSA-N	0	3	377.238	2.693	50	30		GFEAHN
C=CCN1CC[C@]2(CN(Cc3ccc4ccccc4n3)CCN2C)CCC1=O	ZINC000091626363	570984132	/nfs/dbraw/zinc/98/41/32/570984132.db2.gz	CNHJWELNFPEPDZ-QHCPKHFHSA-N	0	3	378.520	2.920	50	30		GFEAHN
C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)NC)N(Cc2ccccc2)C1	ZINC000032534780	519072146	/nfs/dbraw/zinc/07/21/46/519072146.db2.gz	ZPBLDMNTKUVQLR-RTWAWAEBSA-N	0	3	379.504	2.730	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000006785221	520654500	/nfs/dbraw/zinc/65/45/00/520654500.db2.gz	GOSSHUNXDNSCCC-LFVOPCPISA-N	0	3	397.450	2.984	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019882951	524055411	/nfs/dbraw/zinc/05/54/11/524055411.db2.gz	APTXIQRTMIIXFL-QGZVFWFLSA-N	0	3	399.403	2.718	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000020219595	524055544	/nfs/dbraw/zinc/05/55/44/524055544.db2.gz	NKHJSPCDAZXEPN-GOSISDBHSA-N	0	3	383.423	2.751	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013570555	524112666	/nfs/dbraw/zinc/11/26/66/524112666.db2.gz	SBTUHSVXTPDLMV-GOSISDBHSA-N	0	3	384.432	2.818	50	30		GFEAHN
Cc1ccccc1CN1CCN(Cc2ccc(C#CCCO)cc2)C[C@H]1CCO	ZINC000104468993	570259473	/nfs/dbraw/zinc/25/94/73/570259473.db2.gz	ICCAGKUWRSEODX-RUZDIDTESA-N	0	3	392.543	2.798	50	30		GFEAHN
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000040089281	204871049	/nfs/dbraw/zinc/87/10/49/204871049.db2.gz	NOEPJAGZAIBSLX-HXUWFJFHSA-N	0	3	386.540	2.669	50	30		GFEAHN
C=CCC1(OC)CCN(C(=O)c2cnn3cc(CN(CC)CC)cnc23)CC1	ZINC000067872781	518690917	/nfs/dbraw/zinc/69/09/17/518690917.db2.gz	IRFCMSMKYTUIGJ-UHFFFAOYSA-N	0	3	385.512	2.768	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000005488692	520651034	/nfs/dbraw/zinc/65/10/34/520651034.db2.gz	YJFXAXJFDVWCBM-WOOAAIBNSA-N	0	3	397.450	2.984	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1	ZINC000004311387	526022099	/nfs/dbraw/zinc/02/20/99/526022099.db2.gz	NIKFOIDCPAASLX-LJQANCHMSA-N	0	3	379.460	2.920	50	30		GFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@@H](C)C(C)C	ZINC000032777083	570799412	/nfs/dbraw/zinc/79/94/12/570799412.db2.gz	UTRSSDOZHYBRQN-INIZCTEOSA-N	0	3	379.574	2.745	50	30		GFEAHN
C=CCN1CCN(Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)cc2)CC1	ZINC000048156054	570964766	/nfs/dbraw/zinc/96/47/66/570964766.db2.gz	SOEGFDSMYNATMV-UHFFFAOYSA-N	0	3	387.487	2.803	50	30		GFEAHN
C=CCN1CCN(Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)CC1	ZINC000048156054	570964769	/nfs/dbraw/zinc/96/47/69/570964769.db2.gz	SOEGFDSMYNATMV-UHFFFAOYSA-N	0	3	387.487	2.803	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000020219588	524055689	/nfs/dbraw/zinc/05/56/89/524055689.db2.gz	SSQYANOTYFUMRE-GOSISDBHSA-N	0	3	383.423	2.751	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1	ZINC000005799908	570692916	/nfs/dbraw/zinc/69/29/16/570692916.db2.gz	CIVOGRVVOIPTCO-WOOAAIBNSA-N	0	3	380.444	2.679	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000006812678	204211635	/nfs/dbraw/zinc/21/16/35/204211635.db2.gz	HHPSABYLQZWHFS-GHNGSUTGSA-N	0	3	383.423	2.594	50	30		GFEAHN
O=C(CC1=C(c2ccccc2)CCC1=O)N1C[C@H](CO)C[C@H](CN2CCCC2)C1	ZINC000091965637	526335602	/nfs/dbraw/zinc/33/56/02/526335602.db2.gz	HMQWOVRXMGRKSO-RTBURBONSA-N	0	3	396.531	2.746	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1	ZINC000006785196	520653856	/nfs/dbraw/zinc/65/38/56/520653856.db2.gz	CMEJRDKUSROFCK-GROYHEBESA-N	0	3	385.489	2.907	50	30		GFEAHN
Cc1nc(C2=C(N)N(C3CCN(Cc4ccccc4)CC3)CC2=O)sc1C	ZINC000013691585	526770647	/nfs/dbraw/zinc/77/06/47/526770647.db2.gz	BMINPPJXJRFCLP-UHFFFAOYSA-N	0	3	382.533	2.937	50	30		GFEAHN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1	ZINC000013685045	570668229	/nfs/dbraw/zinc/66/82/29/570668229.db2.gz	AVYYOGSNMVZQQO-LJQANCHMSA-N	0	3	396.491	2.567	50	30		GFEAHN
CCOC(=O)Cc1csc(SCC(=O)C(C#N)c2nc(C)cs2)n1	ZINC000007737372	204249060	/nfs/dbraw/zinc/24/90/60/204249060.db2.gz	QVGJPPQZLRYYPU-NSHDSACASA-N	0	3	381.504	2.982	50	30		GFEAHN
C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1	ZINC000057138198	518267329	/nfs/dbraw/zinc/26/73/29/518267329.db2.gz	JURLATRICMWOBD-CYBMUJFWSA-N	0	3	379.298	2.980	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1	ZINC000019938863	523555390	/nfs/dbraw/zinc/55/53/90/523555390.db2.gz	BWIASSVZHNOLEP-IBGZPJMESA-N	0	3	398.434	2.974	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c1	ZINC000019973839	525783338	/nfs/dbraw/zinc/78/33/38/525783338.db2.gz	IQNWTXPZLCYXDC-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000012035952	221144354	/nfs/dbraw/zinc/14/43/54/221144354.db2.gz	MZVFTOIVRMRLBG-QFIPXVFZSA-N	0	3	399.491	2.904	50	30		GFEAHN
C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@H]12	ZINC000035871024	518931467	/nfs/dbraw/zinc/93/14/67/518931467.db2.gz	QYKFXDSEKMJJOS-AZUAARDMSA-N	0	3	384.480	2.503	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000102537281	520654167	/nfs/dbraw/zinc/65/41/67/520654167.db2.gz	AZYSCTCGEYKXHP-WOOAAIBNSA-N	0	3	397.450	2.984	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000006187668	524054715	/nfs/dbraw/zinc/05/47/15/524054715.db2.gz	YRBNTJSNNFUXPA-GHNGSUTGSA-N	0	3	383.423	2.594	50	30		GFEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCN(C)C	ZINC000005445230	524801503	/nfs/dbraw/zinc/80/15/03/524801503.db2.gz	DWEFKHCXUOCKFT-WOOAAIBNSA-N	0	3	380.444	2.679	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c1	ZINC000019582271	525782832	/nfs/dbraw/zinc/78/28/32/525782832.db2.gz	ZEEFAMXDVKDNQO-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
CN1C(=O)C(=C(N)NOCc2c(Cl)cccc2Cl)C(=N)C12CCCC2	ZINC000058342533	551182938	/nfs/dbraw/zinc/18/29/38/551182938.db2.gz	HYSCLQWIQRMYJI-UHFFFAOYSA-N	0	3	383.279	2.780	50	30		GFEAHN
COCCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000026228004	570322858	/nfs/dbraw/zinc/32/28/58/570322858.db2.gz	WJTHPLRNNXEIAF-UHFFFAOYSA-N	0	3	379.526	2.812	50	30		GFEAHN
C=CCN(CC=C)[C@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C(C)C	ZINC000023030494	570885229	/nfs/dbraw/zinc/88/52/29/570885229.db2.gz	LIAZHSORYPNPTC-GOSISDBHSA-N	0	3	396.513	2.613	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000104224648	570898116	/nfs/dbraw/zinc/89/81/16/570898116.db2.gz	GNFFUVUHOXLDLM-SELCWUDQSA-N	0	3	384.432	2.662	50	30		GFEAHN
C=CCN1CC[C@@H](CNC(=O)c2cccc(-c3cc(C(=O)OC)n(C)c3)c2)C1	ZINC000534631865	570910282	/nfs/dbraw/zinc/91/02/82/570910282.db2.gz	DPSJXHOIBQCQTQ-INIZCTEOSA-N	0	3	381.476	2.716	50	30		GFEAHN
C=CCNC(=O)[C@H]1Cc2ccccc2N2CCN(CCc3ccccc3)C[C@H]12	ZINC000035870706	518930943	/nfs/dbraw/zinc/93/09/43/518930943.db2.gz	JILCWPMGZFVNSI-JTHBVZDNSA-N	0	3	375.516	2.894	50	30		GFEAHN
CCOc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(C)cs2)CC1	ZINC000034854542	521516181	/nfs/dbraw/zinc/51/61/81/521516181.db2.gz	IPAYGVAMJZEJDH-MRXNPFEDSA-N	0	3	384.505	2.849	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000020219596	524055624	/nfs/dbraw/zinc/05/56/24/524055624.db2.gz	NFDZRXCIUUWWFN-SFHVURJKSA-N	0	3	383.423	2.751	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1	ZINC000102861958	525944830	/nfs/dbraw/zinc/94/48/30/525944830.db2.gz	DDPJSEPCYVOBDE-WOOAAIBNSA-N	0	3	379.460	2.763	50	30		GFEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1	ZINC000002378268	526492889	/nfs/dbraw/zinc/49/28/89/526492889.db2.gz	DWYOSQVMTRPGDQ-QGZVFWFLSA-N	0	3	388.427	2.817	50	30		GFEAHN
CC(C)(O)C#Cc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)s1	ZINC000104404667	570257713	/nfs/dbraw/zinc/25/77/13/570257713.db2.gz	RBKVGBLUZIJCPA-QGZVFWFLSA-N	0	3	378.582	2.785	50	30		GFEAHN
CN(C)CCOc1ccccc1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)N1C	ZINC000067909206	205268998	/nfs/dbraw/zinc/26/89/98/205268998.db2.gz	LVVNSMLCOFCYLV-KBXCAEBGSA-N	0	3	377.492	2.834	50	30		GFEAHN
CCOc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(C)cs2)CC1	ZINC000034854543	521516374	/nfs/dbraw/zinc/51/63/74/521516374.db2.gz	IPAYGVAMJZEJDH-INIZCTEOSA-N	0	3	384.505	2.849	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000018180845	524173179	/nfs/dbraw/zinc/17/31/79/524173179.db2.gz	LYNZEGOVJSLVNH-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
CC(C)(C(C#N)C(N)=O)[C@H](C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000028465564	551124498	/nfs/dbraw/zinc/12/44/98/551124498.db2.gz	JCZPTIDCKVLIMB-DGCLKSJQSA-N	0	3	376.869	2.684	50	30		GFEAHN
C=CCN1CC[C@@]2(CN(Cc3ccc(OC)cc3F)CCN2C)CCC1=O	ZINC000107421881	570233665	/nfs/dbraw/zinc/23/36/65/570233665.db2.gz	OWAFMIZIAUAUQA-OAQYLSRUSA-N	0	3	375.488	2.519	50	30		GFEAHN
CN(C(=O)CC[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1)C1CCN(C)CC1	ZINC000012442325	570237201	/nfs/dbraw/zinc/23/72/01/570237201.db2.gz	WOSNIHTTYZLPSV-OAQYLSRUSA-N	0	3	395.547	2.610	50	30		GFEAHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1COc2ccc(Br)cc21	ZINC000136883575	570479148	/nfs/dbraw/zinc/47/91/48/570479148.db2.gz	JPRNOFAPXNWPJX-KBPBESRZSA-N	0	3	377.238	2.693	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c1	ZINC000005800791	570536838	/nfs/dbraw/zinc/53/68/38/570536838.db2.gz	AHDIKARPYRLQDP-YDJIHCHBSA-N	0	3	394.471	2.987	50	30		GFEAHN
C=CCn1cc(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1	ZINC000091915484	519279062	/nfs/dbraw/zinc/27/90/62/519279062.db2.gz	SBVPBDMTFLIVEO-UHFFFAOYSA-N	0	3	379.508	2.869	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000018169368	525388219	/nfs/dbraw/zinc/38/82/19/525388219.db2.gz	XVGQQHGKOOXVFC-IBGZPJMESA-N	0	3	398.434	2.974	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1	ZINC000102930687	525944622	/nfs/dbraw/zinc/94/46/22/525944622.db2.gz	CGAVYHDCPFDMIH-WOOAAIBNSA-N	0	3	379.460	2.763	50	30		GFEAHN
N#CCSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21	ZINC000002967957	526475689	/nfs/dbraw/zinc/47/56/89/526475689.db2.gz	GZOHPYDBVNZHMQ-INIZCTEOSA-N	0	3	395.488	2.741	50	30		GFEAHN
C=CCCC(=O)NCc1nnc(SCCN(C)C)n1-c1cccc(OC)c1	ZINC000012243928	570236412	/nfs/dbraw/zinc/23/64/12/570236412.db2.gz	ZSFSKVUDAVWSBY-UHFFFAOYSA-N	0	3	389.525	2.512	50	30		GFEAHN
COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-]	ZINC000004494739	570378722	/nfs/dbraw/zinc/37/87/22/570378722.db2.gz	RWMHILVQGINORY-KRWDZBQOSA-N	0	3	382.372	2.820	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000005408679	570585895	/nfs/dbraw/zinc/58/58/95/570585895.db2.gz	IYERVTHPDQSSIQ-SELCWUDQSA-N	0	3	383.423	2.594	50	30		GFEAHN
CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000096142174	208271105	/nfs/dbraw/zinc/27/11/05/208271105.db2.gz	COEIKBDAUFEFIE-UHFFFAOYSA-N	0	3	375.480	2.794	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccco1	ZINC000019880043	524055028	/nfs/dbraw/zinc/05/50/28/524055028.db2.gz	YRMRMVCNOWEVIJ-GOSISDBHSA-N	0	3	398.415	2.538	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020219547	525392420	/nfs/dbraw/zinc/39/24/20/525392420.db2.gz	XWGYRYZVLWVVGA-IBGZPJMESA-N	0	3	395.459	2.620	50	30		GFEAHN
CN(C)CCN(Cc1ccc(C#N)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000048341395	570239663	/nfs/dbraw/zinc/23/96/63/570239663.db2.gz	DTAQWCNCTRCBBK-UHFFFAOYSA-N	0	3	378.436	2.837	50	30		GFEAHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1COc2ccc(Br)cc21	ZINC000136883438	570478938	/nfs/dbraw/zinc/47/89/38/570478938.db2.gz	JPRNOFAPXNWPJX-ZIAGYGMSSA-N	0	3	377.238	2.693	50	30		GFEAHN
C=CCN1CC[C@]2(CN(Cc3ccc(C)c(F)c3F)CCN2C)CCC1=O	ZINC000091486743	570984711	/nfs/dbraw/zinc/98/47/11/570984711.db2.gz	OULXMGUHRVKFSR-NRFANRHFSA-N	0	3	377.479	2.958	50	30		GFEAHN
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)ccc1O	ZINC000019880444	522953809	/nfs/dbraw/zinc/95/38/09/522953809.db2.gz	UQHBTPDLUOCCAY-IBGZPJMESA-N	0	3	396.443	2.541	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1F	ZINC000013692363	523554950	/nfs/dbraw/zinc/55/49/50/523554950.db2.gz	JHWNORKLIVZHBP-LJQANCHMSA-N	0	3	398.434	2.974	50	30		GFEAHN
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000103613639	525322327	/nfs/dbraw/zinc/32/23/27/525322327.db2.gz	TZVFNPIEKVOUGI-RHSMWYFYSA-N	0	3	392.459	2.845	50	30		GFEAHN
COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000089340147	208104918	/nfs/dbraw/zinc/10/49/18/208104918.db2.gz	COTHDHSNQQKCGM-XMSQKQJNSA-N	0	3	381.476	2.820	50	30		GFEAHN
C#CCN1CCC(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1	ZINC000058427566	518268788	/nfs/dbraw/zinc/26/87/88/518268788.db2.gz	LAIHMNHCOXGGIJ-INIZCTEOSA-N	0	3	377.282	2.734	50	30		GFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000019972718	523553364	/nfs/dbraw/zinc/55/33/64/523553364.db2.gz	IESQBLAARYTMMD-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
CN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1	ZINC000004325525	523928907	/nfs/dbraw/zinc/92/89/07/523928907.db2.gz	WMQLPZYEQUYZNX-QGZVFWFLSA-N	0	3	393.491	2.865	50	30		GFEAHN
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(CCO)C1c1ccccc1[N+](=O)[O-]	ZINC000000847029	527631524	/nfs/dbraw/zinc/63/15/24/527631524.db2.gz	VGDWKYIHTBOPOS-VYENPZKTSA-N	0	3	394.383	2.565	50	30		GFEAHN
Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)c1	ZINC000013065775	570744763	/nfs/dbraw/zinc/74/47/63/570744763.db2.gz	ZWCBZDOLMLDGDT-LJQANCHMSA-N	0	3	379.460	2.838	50	30		GFEAHN
O=C(c1ccco1)C1=C(O)C(=O)N(C[C@H]2CCCO2)C1c1ccccc1[N+](=O)[O-]	ZINC000002470835	206419588	/nfs/dbraw/zinc/41/95/88/206419588.db2.gz	FZOSBZMJTUPXJN-PXAZEXFGSA-N	0	3	398.371	2.945	50	30		GFEAHN
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1	ZINC000050680024	518804896	/nfs/dbraw/zinc/80/48/96/518804896.db2.gz	OEOPMQOMVIQLDR-ZBFHGGJFSA-N	0	3	377.485	2.791	50	30		GFEAHN
C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@H]12	ZINC000035871022	518921829	/nfs/dbraw/zinc/92/18/29/518921829.db2.gz	QYKFXDSEKMJJOS-UYAOXDASSA-N	0	3	384.480	2.503	50	30		GFEAHN
CCN1CCN(c2ccc(N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170274	521699456	/nfs/dbraw/zinc/69/94/56/521699456.db2.gz	UODKSPKTMRKXJN-PGRDOPGGSA-N	0	3	385.556	2.992	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000013725558	521754295	/nfs/dbraw/zinc/75/42/95/521754295.db2.gz	QDFVXMCOOYIMOW-LJQANCHMSA-N	0	3	390.443	2.703	50	30		GFEAHN
N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1	ZINC000002378266	526507602	/nfs/dbraw/zinc/50/76/02/526507602.db2.gz	DWYOSQVMTRPGDQ-KRWDZBQOSA-N	0	3	388.427	2.817	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000005409134	570586330	/nfs/dbraw/zinc/58/63/30/570586330.db2.gz	QESJJQVOHZNTAP-LFVOPCPISA-N	0	3	398.459	2.970	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1	ZINC000102494662	520654301	/nfs/dbraw/zinc/65/43/01/520654301.db2.gz	BAMQKOALNWOEKD-WOOAAIBNSA-N	0	3	379.460	2.845	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000019884413	524054836	/nfs/dbraw/zinc/05/48/36/524054836.db2.gz	WHEAXOUVBNTAED-GOSISDBHSA-N	0	3	383.423	2.751	50	30		GFEAHN
C#CCN1CCC(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1	ZINC000058203335	518269028	/nfs/dbraw/zinc/26/90/28/518269028.db2.gz	XWFSYFLJIICXKD-UHFFFAOYSA-N	0	3	379.254	2.504	50	30		GFEAHN
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)C1	ZINC000050680022	518807233	/nfs/dbraw/zinc/80/72/33/518807233.db2.gz	OEOPMQOMVIQLDR-HOCLYGCPSA-N	0	3	377.485	2.791	50	30		GFEAHN
C=CCOc1c(Br)cc(CNCCCN2CCOCC2)cc1OC	ZINC000002861474	519002084	/nfs/dbraw/zinc/00/20/84/519002084.db2.gz	KQKBJFXVNUEEDO-UHFFFAOYSA-N	0	3	399.329	2.834	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1cccnc1	ZINC000020218953	520656265	/nfs/dbraw/zinc/65/62/65/520656265.db2.gz	VYCWQCPMQMCNTK-SQUSKLHYSA-N	0	3	395.459	2.994	50	30		GFEAHN
CCN1CCN(c2ccc(N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170275	521699419	/nfs/dbraw/zinc/69/94/19/521699419.db2.gz	UODKSPKTMRKXJN-XMSQKQJNSA-N	0	3	385.556	2.992	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000102737811	521756210	/nfs/dbraw/zinc/75/62/10/521756210.db2.gz	APXLVXGJUBISKL-WOOAAIBNSA-N	0	3	390.443	2.546	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000019884411	524054743	/nfs/dbraw/zinc/05/47/43/524054743.db2.gz	WHEAXOUVBNTAED-SFHVURJKSA-N	0	3	383.423	2.751	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000018023886	525224084	/nfs/dbraw/zinc/22/40/84/525224084.db2.gz	XDORZHMSUPGPDO-LJQANCHMSA-N	0	3	380.444	2.835	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1	ZINC000019973840	525783228	/nfs/dbraw/zinc/78/32/28/525783228.db2.gz	YHMDEEKJDBSGJY-GOSISDBHSA-N	0	3	384.432	2.818	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cc1	ZINC000102692757	525941479	/nfs/dbraw/zinc/94/14/79/525941479.db2.gz	WLGYAWJXTLUPJL-LFVOPCPISA-N	0	3	379.460	2.763	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1	ZINC000017161114	526022825	/nfs/dbraw/zinc/02/28/25/526022825.db2.gz	GCNQCRDLGFVJDR-IBGZPJMESA-N	0	3	379.460	2.920	50	30		GFEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)s1	ZINC000012595267	570238065	/nfs/dbraw/zinc/23/80/65/570238065.db2.gz	VIJKBKVQADRIEP-KRWDZBQOSA-N	0	3	397.544	2.908	50	30		GFEAHN
C=C(C)COc1cc2oc(=O)c(CC(=O)NCCN(C)C)c(C)c2cc1Cl	ZINC000013627596	570242437	/nfs/dbraw/zinc/24/24/37/570242437.db2.gz	JEWYNICTIAXSFI-UHFFFAOYSA-N	0	3	392.883	2.930	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1	ZINC000005799490	570693042	/nfs/dbraw/zinc/69/30/42/570693042.db2.gz	CJTGXMCAUGUEHI-WOOAAIBNSA-N	0	3	379.460	2.845	50	30		GFEAHN
C=CCC(O)(CC=C)[C@H](C)NCc1c(C(=O)N2CCCC2)nc2sccn12	ZINC000012317489	518688159	/nfs/dbraw/zinc/68/81/59/518688159.db2.gz	YYEQMMJGRXKADZ-HNNXBMFYSA-N	0	3	388.537	2.993	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000019882794	521754842	/nfs/dbraw/zinc/75/48/42/521754842.db2.gz	OLIKXOFGXTVKCJ-QGZVFWFLSA-N	0	3	385.851	2.875	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1	ZINC000102861960	525942744	/nfs/dbraw/zinc/94/27/44/525942744.db2.gz	DDPJSEPCYVOBDE-LFVOPCPISA-N	0	3	379.460	2.763	50	30		GFEAHN
C=CCN1CC[C@@]2(CN(Cc3ccc(C)c(F)c3F)CCN2C)CCC1=O	ZINC000107404400	570233302	/nfs/dbraw/zinc/23/33/02/570233302.db2.gz	OULXMGUHRVKFSR-OAQYLSRUSA-N	0	3	377.479	2.958	50	30		GFEAHN
CN(C(=O)CC[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1)C1CCN(C)CC1	ZINC000012442323	570237632	/nfs/dbraw/zinc/23/76/32/570237632.db2.gz	WOSNIHTTYZLPSV-NRFANRHFSA-N	0	3	395.547	2.610	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)c1	ZINC000005409139	570586365	/nfs/dbraw/zinc/58/63/65/570586365.db2.gz	QESJJQVOHZNTAP-WOOAAIBNSA-N	0	3	398.459	2.970	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1	ZINC000019938862	523557462	/nfs/dbraw/zinc/55/74/62/523557462.db2.gz	BWIASSVZHNOLEP-LJQANCHMSA-N	0	3	398.434	2.974	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000019938511	524054761	/nfs/dbraw/zinc/05/47/61/524054761.db2.gz	ZGKQQCHFZNIMHW-GOSISDBHSA-N	0	3	383.423	2.751	50	30		GFEAHN
O=[n+]1c(/C=N/N=C/c2cc(Br)ccc2[O-])cn(O)c2ccccc21	ZINC000368131123	563864464	/nfs/dbraw/zinc/86/44/64/563864464.db2.gz	FIBUBFUMYXKLTR-DJKKODMXSA-O	0	3	388.201	2.714	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000005408689	570585830	/nfs/dbraw/zinc/58/58/30/570585830.db2.gz	IYERVTHPDQSSIQ-GHNGSUTGSA-N	0	3	383.423	2.594	50	30		GFEAHN
C[C@@H]1CN(C2CCN(C(=O)c3ccc(C#CC(C)(C)O)cc3)CC2)C[C@H](C)O1	ZINC000252485655	570973500	/nfs/dbraw/zinc/97/35/00/570973500.db2.gz	HBELESGDEGZLIB-HDICACEKSA-N	0	3	384.520	2.523	50	30		GFEAHN
C[C@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)N1CCN(C)CC1	ZINC000426441667	533937980	/nfs/dbraw/zinc/93/79/80/533937980.db2.gz	ADBQAQAZNUXWPW-GOSISDBHSA-N	0	3	376.504	2.981	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000102930485	521756149	/nfs/dbraw/zinc/75/61/49/521756149.db2.gz	XREGWRJQRNLUAU-HVESIFNPSA-N	0	3	385.851	2.718	50	30		GFEAHN
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccccc1OCCN(C)C	ZINC000071774940	211063401	/nfs/dbraw/zinc/06/34/01/211063401.db2.gz	QCKDCOKYBHTGKV-UHFFFAOYSA-N	0	3	376.464	2.852	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000005488605	520650099	/nfs/dbraw/zinc/65/00/99/520650099.db2.gz	YJFXAXJFDVWCBM-LFVOPCPISA-N	0	3	397.450	2.984	50	30		GFEAHN
CC(C)(C(C#N)C(N)=O)[C@@H](C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000028465556	551124385	/nfs/dbraw/zinc/12/43/85/551124385.db2.gz	JCZPTIDCKVLIMB-YPMHNXCESA-N	0	3	376.869	2.684	50	30		GFEAHN
N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1COc2ccc(Br)cc21	ZINC000136883482	570478959	/nfs/dbraw/zinc/47/89/59/570478959.db2.gz	JPRNOFAPXNWPJX-KGLIPLIRSA-N	0	3	377.238	2.693	50	30		GFEAHN
COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000229891055	570674731	/nfs/dbraw/zinc/67/47/31/570674731.db2.gz	COTHDHSNQQKCGM-PGRDOPGGSA-N	0	3	381.476	2.820	50	30		GFEAHN
C=C(Br)CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1	ZINC000058424723	518583256	/nfs/dbraw/zinc/58/32/56/518583256.db2.gz	IUDZSXVAMZLXQU-KRWDZBQOSA-N	0	3	395.345	2.573	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1	ZINC000006785345	520654338	/nfs/dbraw/zinc/65/43/38/520654338.db2.gz	OTMAZECDBJCPNA-HVESIFNPSA-N	0	3	385.489	2.907	50	30		GFEAHN
Cc1ccccc1CN1CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO	ZINC000023358885	570300221	/nfs/dbraw/zinc/30/02/21/570300221.db2.gz	ICCAGKUWRSEODX-VWLOTQADSA-N	0	3	392.543	2.798	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000102876412	520651752	/nfs/dbraw/zinc/65/17/52/520651752.db2.gz	KKWRATWOIBEUTO-LFVOPCPISA-N	0	3	397.450	2.984	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000005576859	524106506	/nfs/dbraw/zinc/10/65/06/524106506.db2.gz	MQDWRRKLSGTPRN-LFVOPCPISA-N	0	3	398.434	2.818	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000018130132	524112962	/nfs/dbraw/zinc/11/29/62/524112962.db2.gz	RECOENDLZRKGEN-LJQANCHMSA-N	0	3	380.444	2.835	50	30		GFEAHN
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000103613646	525322370	/nfs/dbraw/zinc/32/23/70/525322370.db2.gz	TZVFNPIEKVOUGI-PBHICJAKSA-N	0	3	392.459	2.845	50	30		GFEAHN
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1	ZINC000013728190	526482652	/nfs/dbraw/zinc/48/26/52/526482652.db2.gz	YTIRZNSFNLTIEF-SFHVURJKSA-N	0	3	382.464	2.557	50	30		GFEAHN
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc2C1=O	ZINC000012996628	570410587	/nfs/dbraw/zinc/41/05/87/570410587.db2.gz	WXRRRRCNXYYHPF-LJQANCHMSA-N	0	3	377.444	2.501	50	30		GFEAHN
C=C(Cl)COc1nc2cc(F)ccc2cc1CNCCN1CCOCC1	ZINC000299795987	570653696	/nfs/dbraw/zinc/65/36/96/570653696.db2.gz	MSLKUMDTZKUIGA-UHFFFAOYSA-N	0	3	379.863	2.927	50	30		GFEAHN
N#CCOc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1	ZINC000072314284	570656193	/nfs/dbraw/zinc/65/61/93/570656193.db2.gz	FTWROKWNTOFUKQ-UHFFFAOYSA-N	0	3	394.475	2.867	50	30		GFEAHN
COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nc(C)cc(C)c1C#N)C2	ZINC000095369743	136178394	/nfs/dbraw/zinc/17/83/94/136178394.db2.gz	NMTMZJMHXMJNLK-VIZSFHNOSA-N	0	3	398.551	2.914	50	30		GFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1	ZINC000019582262	523551583	/nfs/dbraw/zinc/55/15/83/523551583.db2.gz	DVHVHJOAURCWFY-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000005445153	524054226	/nfs/dbraw/zinc/05/42/26/524054226.db2.gz	BFXKCBCZXXGXTQ-SELCWUDQSA-N	0	3	383.423	2.594	50	30		GFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102733420	524105130	/nfs/dbraw/zinc/10/51/30/524105130.db2.gz	XEYOYIRIPSHBMS-YDJIHCHBSA-N	0	3	394.471	2.987	50	30		GFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c1	ZINC000019582268	525783096	/nfs/dbraw/zinc/78/30/96/525783096.db2.gz	ZEEFAMXDVKDNQO-LJQANCHMSA-N	0	3	395.459	2.620	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006787135	570593009	/nfs/dbraw/zinc/59/30/09/570593009.db2.gz	NPBNSIMGFFKPFP-HVESIFNPSA-N	0	3	399.403	2.561	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000006787109	570593087	/nfs/dbraw/zinc/59/30/87/570593087.db2.gz	HHPSABYLQZWHFS-SELCWUDQSA-N	0	3	383.423	2.594	50	30		GFEAHN
C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@@H]12	ZINC000169681648	570602175	/nfs/dbraw/zinc/60/21/75/570602175.db2.gz	QYKFXDSEKMJJOS-ICSRJNTNSA-N	0	3	384.480	2.503	50	30		GFEAHN
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1	ZINC000013685041	570668037	/nfs/dbraw/zinc/66/80/37/570668037.db2.gz	AVYYOGSNMVZQQO-IBGZPJMESA-N	0	3	396.491	2.567	50	30		GFEAHN
N#Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1	ZINC000092002143	211212311	/nfs/dbraw/zinc/21/23/11/211212311.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	0	3	377.492	2.729	50	30		GFEAHN
N#Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cc1	ZINC000092002143	211212316	/nfs/dbraw/zinc/21/23/16/211212316.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	0	3	377.492	2.729	50	30		GFEAHN
C=CCOc1ccc(CN(C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000040025005	519032614	/nfs/dbraw/zinc/03/26/14/519032614.db2.gz	WDUWAFQCCUYELC-UHFFFAOYSA-N	0	3	380.448	2.882	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000020219594	524055942	/nfs/dbraw/zinc/05/59/42/524055942.db2.gz	NKHJSPCDAZXEPN-SFHVURJKSA-N	0	3	383.423	2.751	50	30		GFEAHN
O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC(N2CCC[C@H](O)C2)CC1	ZINC000072162708	526336443	/nfs/dbraw/zinc/33/64/43/526336443.db2.gz	VCOPORAPDDMMRQ-IBGZPJMESA-N	0	3	382.504	2.641	50	30		GFEAHN
C=CCN1CC[C@@]2(CN(Cc3ccnc4ccccc34)CCN2C)CCC1=O	ZINC000107401582	570233153	/nfs/dbraw/zinc/23/31/53/570233153.db2.gz	WBXZVISWHDRWME-HSZRJFAPSA-N	0	3	378.520	2.920	50	30		GFEAHN
C=CCOc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cc1	ZINC000091779203	570984678	/nfs/dbraw/zinc/98/46/78/570984678.db2.gz	KUZMXPWLZIYEAZ-UHFFFAOYSA-N	0	3	380.492	2.870	50	30		GFEAHN
C=CCOc1ccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(C)=O)cc1	ZINC000091779203	570984679	/nfs/dbraw/zinc/98/46/79/570984679.db2.gz	KUZMXPWLZIYEAZ-UHFFFAOYSA-N	0	3	380.492	2.870	50	30		GFEAHN
N#Cc1ccc(-c2[nH]nc3c2CN(CCn2c4ccccc4oc2=O)CC3)cc1	ZINC000020909754	210368744	/nfs/dbraw/zinc/36/87/44/210368744.db2.gz	CGPLQCXBPPQCFH-UHFFFAOYSA-N	0	3	385.427	2.915	50	30		GFEAHN
C#CCOc1c(Cl)cc(CNC[C@H]2CN(CC(C)C)CCO2)cc1OC	ZINC000025365129	518317554	/nfs/dbraw/zinc/31/75/54/518317554.db2.gz	YXRFFJHORJXMNO-KRWDZBQOSA-N	0	3	380.916	2.807	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000006160684	524054687	/nfs/dbraw/zinc/05/46/87/524054687.db2.gz	VBZKQQBBKOHNLM-GHNGSUTGSA-N	0	3	383.423	2.594	50	30		GFEAHN
C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000103613635	525209388	/nfs/dbraw/zinc/20/93/88/525209388.db2.gz	TZVFNPIEKVOUGI-WMLDXEAASA-N	0	3	392.459	2.845	50	30		GFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102929423	525215029	/nfs/dbraw/zinc/21/50/29/525215029.db2.gz	DVMLYHAPRGDUKK-LFVOPCPISA-N	0	3	380.444	2.679	50	30		GFEAHN
Cc1cc2nc3c(nc2cc1N=CN(C)C)[nH]c(=O)n(C1CCCCC1)c3=O	ZINC000101321679	525678996	/nfs/dbraw/zinc/67/89/96/525678996.db2.gz	RHFYCSDMZLXFER-SRZZPIQSSA-N	0	3	380.452	2.668	50	30		GFEAHN
O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC(N2CCC[C@@H](O)C2)CC1	ZINC000072162709	526336010	/nfs/dbraw/zinc/33/60/10/526336010.db2.gz	VCOPORAPDDMMRQ-LJQANCHMSA-N	0	3	382.504	2.641	50	30		GFEAHN
C=C(Cl)Cn1c2cc(C)ccc2cc(CNCCCN2CCOCC2)c1=O	ZINC000020166048	570283206	/nfs/dbraw/zinc/28/32/06/570283206.db2.gz	AUHARPOFDXVZCF-UHFFFAOYSA-N	0	3	389.927	2.874	50	30		GFEAHN
O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(O)c2)CC1	ZINC000328879241	570962238	/nfs/dbraw/zinc/96/22/38/570962238.db2.gz	VCQBGCFACGFHPN-IBGZPJMESA-N	0	3	380.492	2.703	50	30		GFEAHN
CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000012992910	221253745	/nfs/dbraw/zinc/25/37/45/221253745.db2.gz	AIKRKFPWBHEMNG-HXUWFJFHSA-N	0	3	377.492	2.589	50	30		GFEAHN
C=C(Cl)Cn1c(=O)c(CNCCCN2CCOCC2)cc2ccc(F)cc21	ZINC000014985495	518653518	/nfs/dbraw/zinc/65/35/18/518653518.db2.gz	DKFUNYFLBIAXSW-UHFFFAOYSA-N	0	3	393.890	2.705	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1	ZINC000006785211	520654555	/nfs/dbraw/zinc/65/45/55/520654555.db2.gz	OTMAZECDBJCPNA-GROYHEBESA-N	0	3	385.489	2.907	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)c(C)c1	ZINC000018178459	523560809	/nfs/dbraw/zinc/56/08/09/523560809.db2.gz	FQLOTYDAKXOXLS-IBGZPJMESA-N	0	3	395.459	2.539	50	30		GFEAHN
COc1ccc(CCCNC(=O)C(C#N)c2nnc(-c3ccccc3)n2C)cc1	ZINC000095453893	523937736	/nfs/dbraw/zinc/93/77/36/523937736.db2.gz	LFSDYYWNJIQMLN-LJQANCHMSA-N	0	3	389.459	2.847	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cc1	ZINC000102692754	525944808	/nfs/dbraw/zinc/94/48/08/525944808.db2.gz	WLGYAWJXTLUPJL-WOOAAIBNSA-N	0	3	379.460	2.763	50	30		GFEAHN
COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000107591171	570974780	/nfs/dbraw/zinc/97/47/80/570974780.db2.gz	COTHDHSNQQKCGM-AVRDEDQJSA-N	0	3	381.476	2.820	50	30		GFEAHN
C[C@@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)N1CCN(C)CC1	ZINC000426441668	533603544	/nfs/dbraw/zinc/60/35/44/533603544.db2.gz	ADBQAQAZNUXWPW-SFHVURJKSA-N	0	3	376.504	2.981	50	30		GFEAHN
CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000096139945	222387176	/nfs/dbraw/zinc/38/71/76/222387176.db2.gz	YJWSRCHIBOPKQK-UHFFFAOYSA-N	0	3	375.480	2.794	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1	ZINC000006785330	520653046	/nfs/dbraw/zinc/65/30/46/520653046.db2.gz	CMEJRDKUSROFCK-HVESIFNPSA-N	0	3	385.489	2.907	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000005489609	523374527	/nfs/dbraw/zinc/37/45/27/523374527.db2.gz	BVLDNKQOKBFKKJ-LFVOPCPISA-N	0	3	380.444	2.679	50	30		GFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1F	ZINC000013692364	523557646	/nfs/dbraw/zinc/55/76/46/523557646.db2.gz	JHWNORKLIVZHBP-IBGZPJMESA-N	0	3	398.434	2.974	50	30		GFEAHN
O=C([C@H]1CCCO1)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096309723	526542402	/nfs/dbraw/zinc/54/24/02/526542402.db2.gz	XEEKLAVPNUZUDK-QGZVFWFLSA-N	0	3	383.496	2.800	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1	ZINC000020191977	570246440	/nfs/dbraw/zinc/24/64/40/570246440.db2.gz	HJJREANWLCNQNZ-IBGZPJMESA-N	0	3	380.444	2.835	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1	ZINC000005799466	570693073	/nfs/dbraw/zinc/69/30/73/570693073.db2.gz	CJTGXMCAUGUEHI-LFVOPCPISA-N	0	3	379.460	2.845	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000104224655	570898160	/nfs/dbraw/zinc/89/81/60/570898160.db2.gz	GNFFUVUHOXLDLM-GHNGSUTGSA-N	0	3	384.432	2.662	50	30		GFEAHN
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCCN(C2Cc3ccccc3C2)C1	ZINC000012440359	570676789	/nfs/dbraw/zinc/67/67/89/570676789.db2.gz	KUONBJJBDBCCIP-SFHVURJKSA-N	0	3	382.504	2.729	50	30		GFEAHN
N#Cc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000023127519	570912351	/nfs/dbraw/zinc/91/23/51/570912351.db2.gz	UNUSUGYFWSMZCH-UHFFFAOYSA-N	0	3	382.489	2.587	50	30		GFEAHN
C=CCN1CC[C@]2(CN(Cc3ccnc4ccccc34)CCN2C)CCC1=O	ZINC000091364404	570984055	/nfs/dbraw/zinc/98/40/55/570984055.db2.gz	WBXZVISWHDRWME-QHCPKHFHSA-N	0	3	378.520	2.920	50	30		GFEAHN
CN(CCC(=O)Nc1sccc1C#N)Cc1ccccc1N1CCOCC1	ZINC000008747302	221055187	/nfs/dbraw/zinc/05/51/87/221055187.db2.gz	AQAYSZYYQSKJNW-UHFFFAOYSA-N	0	3	384.505	2.917	50	30		GFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019882949	524054781	/nfs/dbraw/zinc/05/47/81/524054781.db2.gz	APTXIQRTMIIXFL-KRWDZBQOSA-N	0	3	399.403	2.718	50	30		GFEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1	ZINC000102930688	525941531	/nfs/dbraw/zinc/94/15/31/525941531.db2.gz	CGAVYHDCPFDMIH-LFVOPCPISA-N	0	3	379.460	2.763	50	30		GFEAHN
Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)c1	ZINC000013065769	570744560	/nfs/dbraw/zinc/74/45/60/570744560.db2.gz	ZWCBZDOLMLDGDT-IBGZPJMESA-N	0	3	379.460	2.838	50	30		GFEAHN
N#Cc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1	ZINC000082146501	222311180	/nfs/dbraw/zinc/31/11/80/222311180.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	0	3	377.492	2.729	50	30		GFEAHN
C=CCOc1c(Cl)cc(CNCCn2c(C)cc(C)nc2=O)cc1OC	ZINC000065507614	519003694	/nfs/dbraw/zinc/00/36/94/519003694.db2.gz	UNOOMXYKWGXDQT-UHFFFAOYSA-N	0	3	377.872	2.877	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000102879788	520653927	/nfs/dbraw/zinc/65/39/27/520653927.db2.gz	UAHDBZAZEIJCEZ-WOOAAIBNSA-N	0	3	397.450	2.984	50	30		GFEAHN
COc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102689074	524169367	/nfs/dbraw/zinc/16/93/67/524169367.db2.gz	UUXBKRLJOISNDB-WOOAAIBNSA-N	0	3	380.444	2.679	50	30		GFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@H](C)C(C)C	ZINC000032777081	570799548	/nfs/dbraw/zinc/79/95/48/570799548.db2.gz	UTRSSDOZHYBRQN-MRXNPFEDSA-N	0	3	379.574	2.745	50	30		GFEAHN
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC#CCN1CCN(C3CCCCC3)CC1)C2=O	ZINC000019367646	212105064	/nfs/dbraw/zinc/10/50/64/212105064.db2.gz	OFYIZRQERTTYDL-GBXCKJPGSA-N	0	3	399.579	2.751	50	30		GFEAHN
CCOC(=O)Cc1csc(SCC(=O)C(C#N)c2nc(C)cs2)n1	ZINC000007737371	221008651	/nfs/dbraw/zinc/00/86/51/221008651.db2.gz	QVGJPPQZLRYYPU-LLVKDONJSA-N	0	3	381.504	2.982	50	30		GFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1	ZINC000102494652	520654719	/nfs/dbraw/zinc/65/47/19/520654719.db2.gz	BAMQKOALNWOEKD-LFVOPCPISA-N	0	3	379.460	2.845	50	30		GFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000019882791	521755148	/nfs/dbraw/zinc/75/51/48/521755148.db2.gz	OLIKXOFGXTVKCJ-KRWDZBQOSA-N	0	3	385.851	2.875	50	30		GFEAHN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCN(C)C	ZINC000019880427	524803369	/nfs/dbraw/zinc/80/33/69/524803369.db2.gz	KICURQRJGSBVGS-IBGZPJMESA-N	0	3	380.444	2.835	50	30		GFEAHN
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013570401	525391892	/nfs/dbraw/zinc/39/18/92/525391892.db2.gz	UFNJKDSMTQEBLS-SFHVURJKSA-N	0	3	384.432	2.818	50	30		GFEAHN
C=CCN1CC[C@@]2(CN(Cc3ccc4ccccc4n3)CCN2C)CCC1=O	ZINC000107408701	570233336	/nfs/dbraw/zinc/23/33/36/570233336.db2.gz	CNHJWELNFPEPDZ-HSZRJFAPSA-N	0	3	378.520	2.920	50	30		GFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1	ZINC000020191973	570246668	/nfs/dbraw/zinc/24/66/68/570246668.db2.gz	HJJREANWLCNQNZ-LJQANCHMSA-N	0	3	380.444	2.835	50	30		GFEAHN
C=CCn1cc(CN2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)cn1	ZINC000091350766	570984252	/nfs/dbraw/zinc/98/42/52/570984252.db2.gz	HAPFHITUIBSGPW-UHFFFAOYSA-N	0	3	379.508	2.869	50	30		GFEAHN