smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](CO)[C@H](O)C1	ZINC000216864338	375196809	/nfs/dbraw/zinc/19/68/09/375196809.db2.gz	AOXUICRMNGHSGS-SMDDNHRTSA-N	0	0	317.345	-0.402	20	70		DBIDRN
COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCC[NH2+]2)cn1	ZINC000160714020	376847561	/nfs/dbraw/zinc/84/75/61/376847561.db2.gz	KTBWJNLIJLELLN-LBPRGKRZSA-N	0	0	309.370	-0.274	20	70		DBIDRN
C[C@H](CNS(=O)(=O)C[C@H]1CCOC1)CN1CCOCC1	ZINC000160376771	378627344	/nfs/dbraw/zinc/62/73/44/378627344.db2.gz	LLIJZEWIJYDWBR-OLZOCXBDSA-N	0	0	306.428	-0.089	20	70		DBIDRN
CC(C)N1C[C@@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288655	379688451	/nfs/dbraw/zinc/68/84/51/379688451.db2.gz	TYTQFWFYQOWJFG-QWRGUYRKSA-N	0	0	317.411	-0.176	20	70		DBIDRN
Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1(CO)CCCC1	ZINC000160270032	380674054	/nfs/dbraw/zinc/67/40/54/380674054.db2.gz	KVDSOHOVUYMKED-UHFFFAOYSA-N	0	0	315.395	-0.045	20	70		DBIDRN
COCCN1C[C@@H](C(=O)NC[C@@](C)(O)CSC)CC1=O	ZINC000217661000	381060568	/nfs/dbraw/zinc/06/05/68/381060568.db2.gz	AYOCRMXDQYNMCL-GXFFZTMASA-N	0	0	304.412	-0.289	20	70		DBIDRN
O=C(NC1CC=CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000161071240	544817827	/nfs/dbraw/zinc/81/78/27/544817827.db2.gz	GQUFBHJPOKKWJY-CMPLNLGQSA-N	0	0	312.391	-0.143	20	70		DBIDRN
NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCCC[C@H]1O	ZINC000159805479	295194551	/nfs/dbraw/zinc/19/45/51/295194551.db2.gz	YRFQYMYWSWHQPG-GXSJLCMTSA-N	0	0	303.322	-0.139	20	70		DBIDRN
C[C@@H]1CO[C@@H](C)CN1Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O	ZINC000161376499	297157146	/nfs/dbraw/zinc/15/71/46/297157146.db2.gz	GLPLOLYEQUDAGG-BDAKNGLRSA-N	0	0	307.354	-0.431	20	70		DBIDRN
CCN(CCCO)C(=O)CSCC(=O)N1CCOCC1	ZINC000160507757	521027237	/nfs/dbraw/zinc/02/72/37/521027237.db2.gz	FPUSIIRECSXZGA-UHFFFAOYSA-N	0	0	304.412	-0.191	20	70		DBIDRN
Cn1cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C(N)=O	ZINC000160612571	534747105	/nfs/dbraw/zinc/74/71/05/534747105.db2.gz	QVXKOXAEOFDVQX-UHFFFAOYSA-N	0	0	301.368	-0.341	20	70		DBIDRN
CN1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1=O	ZINC000160496361	523968006	/nfs/dbraw/zinc/96/80/06/523968006.db2.gz	KRYAPVZYNUGLGY-SECBINFHSA-N	0	0	310.335	-0.635	20	70		DBIDRN
C[C@H](CO)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000160495988	524540432	/nfs/dbraw/zinc/54/04/32/524540432.db2.gz	HDOWKYSGAYTGDX-MRVPVSSYSA-N	0	0	306.322	-0.915	20	70		DBIDRN
C[C@@H](CO)N(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000160434202	524778035	/nfs/dbraw/zinc/77/80/35/524778035.db2.gz	RFVIWXSIOPBBGP-GXFFZTMASA-N	0	0	304.350	-0.054	20	70		DBIDRN
CS(=O)(=O)NCCCNC(=O)c1ccnc(-n2cccn2)c1	ZINC000159462568	525190920	/nfs/dbraw/zinc/19/09/20/525190920.db2.gz	JOTGEGSEICHVBS-UHFFFAOYSA-N	0	0	323.378	-0.064	20	70		DBIDRN
CS(=O)(=O)NCCN1CCOC[C@@H]1C[C@H](O)c1ccco1	ZINC000159379040	525192148	/nfs/dbraw/zinc/19/21/48/525192148.db2.gz	OFNBWVYYNCIFGZ-RYUDHWBXSA-N	0	0	318.395	-0.047	20	70		DBIDRN
O=C(CN1CCN(Cc2ccncc2)CC1)N1CCNC(=O)C1	ZINC000161208517	526775681	/nfs/dbraw/zinc/77/56/81/526775681.db2.gz	XHZQFNOXKURYAF-UHFFFAOYSA-N	0	0	317.393	-0.842	20	70		DBIDRN
Cn1cc(S(=O)(=O)NC2(C)CCOCC2)cc1C(N)=O	ZINC000160988142	527286535	/nfs/dbraw/zinc/28/65/35/527286535.db2.gz	AHXYMFPZOCXOCH-UHFFFAOYSA-N	0	0	301.368	-0.029	20	70		DBIDRN
Cn1nnc2ccc(C(=O)NCCC(=O)N3CCOCC3)cc21	ZINC000159677938	527648094	/nfs/dbraw/zinc/64/80/94/527648094.db2.gz	CHSJTERFHBUGLZ-UHFFFAOYSA-N	0	0	317.349	-0.053	20	70		DBIDRN
Cc1ccc2cc(C(=O)N(CC(N)=O)CC(N)=O)ccc2n1	ZINC000161479702	236954051	/nfs/dbraw/zinc/95/40/51/236954051.db2.gz	GZPVWDMZGJDGBX-UHFFFAOYSA-N	0	0	300.318	-0.044	20	70		DBIDRN
Cc1cc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nn1C	ZINC000159611094	238308992	/nfs/dbraw/zinc/30/89/92/238308992.db2.gz	DWXQPOSADGVHIW-QMMMGPOBSA-N	0	0	320.353	-0.609	20	70		DBIDRN
CN1CCN(C(=O)CN2CCN(Cc3ccncc3)CC2)CC1	ZINC000161188949	376400544	/nfs/dbraw/zinc/40/05/44/376400544.db2.gz	PTKCTEAMNYXOIA-UHFFFAOYSA-N	0	0	317.437	-0.027	20	70		DBIDRN
CC(C)[C@@H](CCO)NC(=O)Cn1cnc2c(cnn2C)c1=O	ZINC000160790634	377142939	/nfs/dbraw/zinc/14/29/39/377142939.db2.gz	HDAKGTVKJOJMOY-LLVKDONJSA-N	0	0	307.354	-0.347	20	70		DBIDRN
CN1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21	ZINC000159732063	377225113	/nfs/dbraw/zinc/22/51/13/377225113.db2.gz	OILGOIBVGHGSPI-LSDHHAIUSA-N	0	0	317.389	-0.113	20	70		DBIDRN
Cn1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	ZINC000160580292	378294952	/nfs/dbraw/zinc/29/49/52/378294952.db2.gz	DOJFFYSNRYYMMA-KOLCDFICSA-N	0	0	300.384	-0.132	20	70		DBIDRN
C[C@H]1CN(C(=O)Cn2cc(NC(=O)C3([NH3+])CC3)cn2)C[C@H](C)O1	ZINC000160708238	378295653	/nfs/dbraw/zinc/29/56/53/378295653.db2.gz	NIAFZKHPQHJHDV-QWRGUYRKSA-N	0	0	321.381	-0.051	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000217670482	379935190	/nfs/dbraw/zinc/93/51/90/379935190.db2.gz	YYPQAODMMQPFQP-SNVBAGLBSA-N	0	0	301.320	-0.646	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1	ZINC000217710927	381060044	/nfs/dbraw/zinc/06/00/44/381060044.db2.gz	WSDRPULINWSMRE-JTQLQIEISA-N	0	0	301.320	-0.646	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000217670395	381060401	/nfs/dbraw/zinc/06/04/01/381060401.db2.gz	YYPQAODMMQPFQP-JTQLQIEISA-N	0	0	301.320	-0.646	20	70		DBIDRN
CSC[C@](C)(O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000217670928	382642262	/nfs/dbraw/zinc/64/22/62/382642262.db2.gz	WFYITNIKHVOCJQ-CMPLNLGQSA-N	0	0	324.468	-0.112	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000161138305	392587087	/nfs/dbraw/zinc/58/70/87/392587087.db2.gz	YXBNNRWLHXKZRB-IUCAKERBSA-N	0	0	312.288	-0.089	20	70		DBIDRN
O=C1CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@H]2N1	ZINC000160722116	544646064	/nfs/dbraw/zinc/64/60/64/544646064.db2.gz	PMKKDWYSTMILKX-GHMZBOCLSA-N	0	0	303.384	-0.836	20	70		DBIDRN
CC(C)n1nccc1C(=O)N1CCN(S(N)(=O)=O)CC1	ZINC000160495679	520089819	/nfs/dbraw/zinc/08/98/19/520089819.db2.gz	WSDAAISNOKZOLR-UHFFFAOYSA-N	0	0	301.372	-0.575	20	70		DBIDRN
CNS(=O)(=O)CCCN1CCOC[C@H]1c1nc(C)no1	ZINC000161043940	522190148	/nfs/dbraw/zinc/19/01/48/522190148.db2.gz	LHHFFTJAQBWHLC-JTQLQIEISA-N	0	0	304.372	-0.309	20	70		DBIDRN
CC(=O)NCC(=O)NCC(=O)N1CCc2c(F)cccc2C1	ZINC000161092930	519651350	/nfs/dbraw/zinc/65/13/50/519651350.db2.gz	BZQIXOQHUBQPFW-UHFFFAOYSA-N	0	0	307.325	-0.037	20	70		DBIDRN
CCN1CCN(CC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)C(=O)C1=O	ZINC000161133190	521675590	/nfs/dbraw/zinc/67/55/90/521675590.db2.gz	BYPWUBMIGNGDSY-JTQLQIEISA-N	0	0	321.381	-0.544	20	70		DBIDRN
CCc1n[nH]c(=O)c(CNC(=O)N2CCNC(=O)[C@@H]2C)c1CC	ZINC000160404455	522126348	/nfs/dbraw/zinc/12/63/48/522126348.db2.gz	PZENZCVXYOMFRK-VIFPVBQESA-N	0	0	321.381	-0.075	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)Cn1c2ccccc2n(C)c1=O	ZINC000161443084	522386352	/nfs/dbraw/zinc/38/63/52/522386352.db2.gz	USBCXGKGENTOQH-NSHDSACASA-N	0	0	307.350	-0.146	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)CN1CCN(c2ccccn2)CC1	ZINC000160812393	522388381	/nfs/dbraw/zinc/38/83/81/522388381.db2.gz	GQQOWBLVBIEUGQ-AWEZNQCLSA-N	0	0	322.409	-0.283	20	70		DBIDRN
Cc1n[nH]cc1CCCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	ZINC000160238163	525492773	/nfs/dbraw/zinc/49/27/73/525492773.db2.gz	LSMBWHFFAFTHCS-RYUDHWBXSA-N	0	0	309.370	-0.017	20	70		DBIDRN
Cc1n[nH]cc1CCCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	ZINC000160237914	525494479	/nfs/dbraw/zinc/49/44/79/525494479.db2.gz	LSMBWHFFAFTHCS-NWDGAFQWSA-N	0	0	309.370	-0.017	20	70		DBIDRN
NC(=O)CN(CC(N)=O)C(=O)Cc1cc(F)c(F)cc1F	ZINC000160364405	526878568	/nfs/dbraw/zinc/87/85/68/526878568.db2.gz	JOJHTUONXAXVKV-UHFFFAOYSA-N	0	0	303.240	-0.554	20	70		DBIDRN
O=C(Cn1nc2ccccn2c1=O)NC[C@@H](O)COCC1CC1	ZINC000159435787	375145188	/nfs/dbraw/zinc/14/51/88/375145188.db2.gz	ZPDGTZXMTMNGOP-GFCCVEGCSA-N	0	0	320.349	-0.600	20	70		DBIDRN
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](CO)[C@@H](O)C1	ZINC000216864387	375196517	/nfs/dbraw/zinc/19/65/17/375196517.db2.gz	AOXUICRMNGHSGS-FZMZJTMJSA-N	0	0	317.345	-0.402	20	70		DBIDRN
Cc1nccn1CCCCN1CCN(S(N)(=O)=O)CC1	ZINC000161347683	376404162	/nfs/dbraw/zinc/40/41/62/376404162.db2.gz	SEOQDCDDDDJJFP-UHFFFAOYSA-N	0	0	301.416	-0.207	20	70		DBIDRN
CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1	ZINC000160204526	378293665	/nfs/dbraw/zinc/29/36/65/378293665.db2.gz	SEYBKJPKOYVXKK-ZDUSSCGKSA-N	0	0	324.425	-0.475	20	70		DBIDRN
Cc1nc(S(=O)(=O)NC[C@@H](C)CN2CCOCC2)cn1C	ZINC000160361718	378294643	/nfs/dbraw/zinc/29/46/43/378294643.db2.gz	PZSMQITYRRPSCA-LLVKDONJSA-N	0	0	316.427	-0.025	20	70		DBIDRN
Cn1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	ZINC000160580159	378294718	/nfs/dbraw/zinc/29/47/18/378294718.db2.gz	DOJFFYSNRYYMMA-ONGXEEELSA-N	0	0	300.384	-0.132	20	70		DBIDRN
C[NH2+]CC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000160710168	378295686	/nfs/dbraw/zinc/29/56/86/378295686.db2.gz	SRNFNJHKJNFVQC-PHIMTYICSA-N	0	0	309.370	-0.323	20	70		DBIDRN
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC(C)(C)CO	ZINC000160353576	378588598	/nfs/dbraw/zinc/58/85/98/378588598.db2.gz	QWUDPIANXXPZKF-SNVBAGLBSA-N	0	0	308.400	-0.133	20	70		DBIDRN
CC(C)S(=O)(=O)CCCN1CCN(S(C)(=O)=O)CC1	ZINC000160596768	379640709	/nfs/dbraw/zinc/64/07/09/379640709.db2.gz	BCDXPAMIBBENKH-UHFFFAOYSA-N	0	0	312.457	-0.223	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)[C@@H](C)NC(=O)c1cccs1	ZINC000217703172	381060674	/nfs/dbraw/zinc/06/06/74/381060674.db2.gz	DTSHUBCDWNHPNZ-HTQZYQBOSA-N	0	0	300.336	-0.484	20	70		DBIDRN
CSC[C@](C)(O)CNC(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000217667259	381061165	/nfs/dbraw/zinc/06/11/65/381061165.db2.gz	UBCPCTUFJMSIFZ-GFCCVEGCSA-N	0	0	303.384	-0.453	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000217733196	381061279	/nfs/dbraw/zinc/06/12/79/381061279.db2.gz	ABMNYVZWXFFXCV-UBJUHAIHSA-N	0	0	302.352	-0.910	20	70		DBIDRN
CSC[C@@](C)(O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000217672437	382642251	/nfs/dbraw/zinc/64/22/51/382642251.db2.gz	QQDLFGAIFOVBMM-KOLCDFICSA-N	0	0	310.441	-0.359	20	70		DBIDRN
O=C1CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@H]2N1	ZINC000160721852	544646178	/nfs/dbraw/zinc/64/61/78/544646178.db2.gz	PMKKDWYSTMILKX-WDEREUQCSA-N	0	0	303.384	-0.836	20	70		DBIDRN
C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1	ZINC000160783683	544799604	/nfs/dbraw/zinc/79/96/04/544799604.db2.gz	PYPAJSLMKNWVER-RTXFEEFZSA-N	0	0	318.439	-0.277	20	70		DBIDRN
CS(=O)(=O)CCCCN1CCC[C@H](NS(C)(=O)=O)C1	ZINC000161438591	544845191	/nfs/dbraw/zinc/84/51/91/544845191.db2.gz	ZRSFSZSUWDWDGY-NSHDSACASA-N	0	0	312.457	-0.175	20	70		DBIDRN
O=C(CN1CCC([C@H](O)C(F)(F)F)CC1)N1CCNC(=O)C1	ZINC000161249701	337576102	/nfs/dbraw/zinc/57/61/02/337576102.db2.gz	VEVWPOGKNLEZFD-LBPRGKRZSA-N	0	0	323.315	-0.420	20	70		DBIDRN
CCc1n[nH]c(=O)c(CNC(=O)N2CCN(C)C(=O)C2)c1CC	ZINC000160440195	522126203	/nfs/dbraw/zinc/12/62/03/522126203.db2.gz	JFZSDSBZUFBVEI-UHFFFAOYSA-N	0	0	321.381	-0.122	20	70		DBIDRN
CN(Cc1ccccc1)C(=O)CNC(=O)C1(NC(N)=O)CC1	ZINC000161248522	523325896	/nfs/dbraw/zinc/32/58/96/523325896.db2.gz	YLJDKRQBWUOAEN-UHFFFAOYSA-N	0	0	304.350	-0.038	20	70		DBIDRN
COCCNC(=O)CNC(=O)c1cc(Cn2cc(C)cn2)on1	ZINC000160859837	523897331	/nfs/dbraw/zinc/89/73/31/523897331.db2.gz	OAVUABPLHAWNRS-UHFFFAOYSA-N	0	0	321.337	-0.280	20	70		DBIDRN
C[C@@H](CO)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000160495874	524784485	/nfs/dbraw/zinc/78/44/85/524784485.db2.gz	HDOWKYSGAYTGDX-QMMMGPOBSA-N	0	0	306.322	-0.915	20	70		DBIDRN
Cc1n[nH]cc1CCCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1	ZINC000160238047	525494746	/nfs/dbraw/zinc/49/47/46/525494746.db2.gz	LSMBWHFFAFTHCS-VXGBXAGGSA-N	0	0	309.370	-0.017	20	70		DBIDRN
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C[C@@H]1CCC[C@@H]1O	ZINC000159799041	375163938	/nfs/dbraw/zinc/16/39/38/375163938.db2.gz	AVCQZFDYDREKLZ-XQHKEYJVSA-N	0	0	318.439	-0.229	20	70		DBIDRN
O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000159915222	375179132	/nfs/dbraw/zinc/17/91/32/375179132.db2.gz	CIKGKNKVTOOXDM-AOOOYVTPSA-N	0	0	315.333	-0.422	20	70		DBIDRN
CN1CCO[C@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21	ZINC000159703446	375322419	/nfs/dbraw/zinc/32/24/19/375322419.db2.gz	SKQSKWDRPFWNBR-KBPBESRZSA-N	0	0	303.362	-0.042	20	70		DBIDRN
Cc1noc([C@@H]2COCCN2CC(=O)N2CCN(C)CC2)n1	ZINC000161192880	376400619	/nfs/dbraw/zinc/40/06/19/376400619.db2.gz	LBLGTOTYMXOPPQ-LBPRGKRZSA-N	0	0	309.370	-0.475	20	70		DBIDRN
CCNC(=O)CNS(=O)(=O)c1ccccc1C(=O)OC	ZINC000218068703	377337053	/nfs/dbraw/zinc/33/70/53/377337053.db2.gz	GWCBNBJQHXUHGJ-UHFFFAOYSA-N	0	0	300.336	-0.112	20	70		DBIDRN
COC(=O)CCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000160148783	378302971	/nfs/dbraw/zinc/30/29/71/378302971.db2.gz	OLZCIMVLUYNKEK-GHMZBOCLSA-N	0	0	318.395	-0.130	20	70		DBIDRN
CC(C)(C)N1C[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217285890	380465859	/nfs/dbraw/zinc/46/58/59/380465859.db2.gz	QKGBUGHSWGWLAV-ZJUUUORDSA-N	0	0	317.411	-0.128	20	70		DBIDRN
COCCN(CCO)C(=O)CCCN1C(=O)CN(C)C1=O	ZINC000160605772	380677014	/nfs/dbraw/zinc/67/70/14/380677014.db2.gz	XUUPJMGXECFYKV-UHFFFAOYSA-N	0	0	301.343	-0.872	20	70		DBIDRN
COC(=O)c1ccccc1S(=O)(=O)NCC(=O)N(C)C	ZINC000218069273	381060607	/nfs/dbraw/zinc/06/06/07/381060607.db2.gz	IQFHKZBLPPINLZ-UHFFFAOYSA-N	0	0	300.336	-0.160	20	70		DBIDRN
Cc1c(C(=O)NCCCO)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000161171560	392587450	/nfs/dbraw/zinc/58/74/50/392587450.db2.gz	FOBBYKJHJVXFCZ-UHFFFAOYSA-N	0	0	306.322	-0.947	20	70		DBIDRN
CCN(C(=O)CN1CCC(C)(O)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000161232852	392589036	/nfs/dbraw/zinc/58/90/36/392589036.db2.gz	WMCWRLQMHQKTSF-LBPRGKRZSA-N	0	0	318.439	-0.131	20	70		DBIDRN
CCn1c(=O)[nH]c2cc(C(=O)NC3(CO)CC3)ccc2c1=O	ZINC000160237798	544759494	/nfs/dbraw/zinc/75/94/94/544759494.db2.gz	XTVKUFIBOTXUBO-UHFFFAOYSA-N	0	0	303.318	-0.036	20	70		DBIDRN
O=C(NC1CC=CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	ZINC000161070996	544817939	/nfs/dbraw/zinc/81/79/39/544817939.db2.gz	GQUFBHJPOKKWJY-ZYHUDNBSSA-N	0	0	312.391	-0.143	20	70		DBIDRN
Cc1c(C(=O)Nc2cn[nH]c2)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000161450028	278593467	/nfs/dbraw/zinc/59/34/67/278593467.db2.gz	DWNNYXZXNCKIRU-UHFFFAOYSA-N	0	0	314.305	-0.084	20	70		DBIDRN
COC[C@H](O)CCNC(=O)CNC(=O)Cc1cccc(F)c1	ZINC000161457836	522773917	/nfs/dbraw/zinc/77/39/17/522773917.db2.gz	HPPATFUATBBMER-CYBMUJFWSA-N	0	0	312.341	-0.002	20	70		DBIDRN
CN(CCN1CCOCC1)C(=O)CNC(=O)c1cccnc1	ZINC000161250990	522836455	/nfs/dbraw/zinc/83/64/55/522836455.db2.gz	ADOLJOJICQUMLE-UHFFFAOYSA-N	0	0	306.366	-0.398	20	70		DBIDRN
COC(=O)Cn1cc(CCn2nnc3ccccc3c2=O)nn1	ZINC000159374278	523397409	/nfs/dbraw/zinc/39/74/09/523397409.db2.gz	AHTQQZVIZNAHLN-UHFFFAOYSA-N	0	0	314.305	-0.201	20	70		DBIDRN
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc2nncn2c1	ZINC000160561481	525168768	/nfs/dbraw/zinc/16/87/68/525168768.db2.gz	MZJVLYOMTGUMNQ-LLVKDONJSA-N	0	0	323.378	-0.117	20	70		DBIDRN
Cc1cc(O)cc(=O)n1CC(=O)NCCCN1CCCC1=O	ZINC000161165225	525329829	/nfs/dbraw/zinc/32/98/29/525329829.db2.gz	BURMCONFVXRZDE-UHFFFAOYSA-N	0	0	307.350	-0.009	20	70		DBIDRN
O=C(CN1CCOCC1)N1CCN(CCn2ccnc2)CC1	ZINC000159693083	526789370	/nfs/dbraw/zinc/78/93/70/526789370.db2.gz	WEAWHLVLRMUVLR-UHFFFAOYSA-N	0	0	307.398	-0.641	20	70		DBIDRN
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC[C@@H]1CO	ZINC000159877422	527283711	/nfs/dbraw/zinc/28/37/11/527283711.db2.gz	REXPPJHTZNFCCT-LLVKDONJSA-N	0	0	309.351	-0.192	20	70		DBIDRN
COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000161137974	236946629	/nfs/dbraw/zinc/94/66/29/236946629.db2.gz	YXBNNRWLHXKZRB-RKDXNWHRSA-N	0	0	312.288	-0.089	20	70		DBIDRN
Cc1cc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nn1C	ZINC000159611216	238307378	/nfs/dbraw/zinc/30/73/78/238307378.db2.gz	DWXQPOSADGVHIW-MRVPVSSYSA-N	0	0	320.353	-0.609	20	70		DBIDRN
NC(=O)NC(=O)CCCN1Cc2ccccc2C[C@@H]1C(N)=O	ZINC000216929308	375197950	/nfs/dbraw/zinc/19/79/50/375197950.db2.gz	NPVPIRBOZWMJPX-GFCCVEGCSA-N	0	0	304.350	-0.126	20	70		DBIDRN
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnns1	ZINC000160296546	378292658	/nfs/dbraw/zinc/29/26/58/378292658.db2.gz	WFFDGFUUAAWBJC-YUMQZZPRSA-N	0	0	304.397	-0.014	20	70		DBIDRN
C[C@@H](CNS(=O)(=O)C[C@H]1CCOC1)CN1CCOCC1	ZINC000160376635	378627904	/nfs/dbraw/zinc/62/79/04/378627904.db2.gz	LLIJZEWIJYDWBR-STQMWFEESA-N	0	0	306.428	-0.089	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000217702973	381059770	/nfs/dbraw/zinc/05/97/70/381059770.db2.gz	LRDRWIUYKLIOCW-LLVKDONJSA-N	0	0	315.347	-0.338	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC000217733373	381060286	/nfs/dbraw/zinc/06/02/86/381060286.db2.gz	ABMNYVZWXFFXCV-LWINAJNOSA-N	0	0	302.352	-0.910	20	70		DBIDRN
O=C(NC1CC=CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000161071107	544817972	/nfs/dbraw/zinc/81/79/72/544817972.db2.gz	GQUFBHJPOKKWJY-PWSUYJOCSA-N	0	0	312.391	-0.143	20	70		DBIDRN
CCn1c(N)c(C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159457421	332133009	/nfs/dbraw/zinc/13/30/09/332133009.db2.gz	KNGXXJDZJDIZML-UWVGGRQHSA-N	0	0	324.381	-0.586	20	70		DBIDRN
CCn1c(N)c(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	ZINC000159457570	332133056	/nfs/dbraw/zinc/13/30/56/332133056.db2.gz	KNGXXJDZJDIZML-ZJUUUORDSA-N	0	0	324.381	-0.586	20	70		DBIDRN
CC(=O)N1CC[C@@H](NC(=O)CCn2nc3ccccn3c2=O)C1	ZINC000159740839	332697638	/nfs/dbraw/zinc/69/76/38/332697638.db2.gz	NSQMJNNTZVDIHZ-GFCCVEGCSA-N	0	0	317.349	-0.377	20	70		DBIDRN
CCCCn1c(N)c(N(C)Cc2nncn2C)c(=O)[nH]c1=O	ZINC000160733859	333483003	/nfs/dbraw/zinc/48/30/03/333483003.db2.gz	OJIFUXYHRRBAAI-UHFFFAOYSA-N	0	0	307.358	-0.316	20	70		DBIDRN
CNC(=O)c1cc(S(=O)(=O)N2CCC(C)(O)CC2)cn1C	ZINC000160635793	521787568	/nfs/dbraw/zinc/78/75/68/521787568.db2.gz	ADNBHHMQABTATH-UHFFFAOYSA-N	0	0	315.395	-0.080	20	70		DBIDRN
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000160035750	522323729	/nfs/dbraw/zinc/32/37/29/522323729.db2.gz	IMNXETVELXMCCD-KCJUWKMLSA-N	0	0	305.338	-0.035	20	70		DBIDRN
COC[C@H](O)CCNC(=O)CN1CCN(c2ccccn2)CC1	ZINC000160812261	522773897	/nfs/dbraw/zinc/77/38/97/522773897.db2.gz	GQQOWBLVBIEUGQ-CQSZACIVSA-N	0	0	322.409	-0.283	20	70		DBIDRN
CCc1cc(=O)[nH]c(CN2CCN(S(C)(=O)=O)CC2)n1	ZINC000160597243	523832520	/nfs/dbraw/zinc/83/25/20/523832520.db2.gz	FMAAZALCENUZBU-UHFFFAOYSA-N	0	0	300.384	-0.178	20	70		DBIDRN
C[C@H](CNS(=O)(=O)c1cnn(C)c1)CN1CCOCC1	ZINC000160395209	524491423	/nfs/dbraw/zinc/49/14/23/524491423.db2.gz	NUFMLEBPCRHGDU-LLVKDONJSA-N	0	0	302.400	-0.333	20	70		DBIDRN
C[C@@H](CNS(=O)(=O)c1cnn(C)c1)CN1CCOCC1	ZINC000160395074	524747266	/nfs/dbraw/zinc/74/72/66/524747266.db2.gz	NUFMLEBPCRHGDU-NSHDSACASA-N	0	0	302.400	-0.333	20	70		DBIDRN
CSC[C@@](C)(O)CNC(=O)CN1C(=O)NC(C)(C)C1=O	ZINC000217667173	525659184	/nfs/dbraw/zinc/65/91/84/525659184.db2.gz	UBCPCTUFJMSIFZ-LBPRGKRZSA-N	0	0	303.384	-0.453	20	70		DBIDRN
CCn1cc(S(=O)(=O)NC[C@@H](O)COCC2CC2)cn1	ZINC000160697389	238333999	/nfs/dbraw/zinc/33/39/99/238333999.db2.gz	AUMPZUBZYTWYNN-LLVKDONJSA-N	0	0	303.384	-0.031	20	70		DBIDRN
COC[C@H](O)CNC(=O)Cn1cnc2c(C)cccc2c1=O	ZINC000159491367	375143606	/nfs/dbraw/zinc/14/36/06/375143606.db2.gz	UTEZIUOUFCMBTI-LLVKDONJSA-N	0	0	305.334	-0.172	20	70		DBIDRN
C[C@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1	ZINC000159920947	375179304	/nfs/dbraw/zinc/17/93/04/375179304.db2.gz	IVZBJXCLFUNFNX-NSHDSACASA-N	0	0	300.403	-0.140	20	70		DBIDRN
CCS(=O)(=O)NCCNC(=O)c1cnc2c(c1)ncn2C	ZINC000160098922	375205512	/nfs/dbraw/zinc/20/55/12/375205512.db2.gz	LYEVOZJVFFOQRW-UHFFFAOYSA-N	0	0	311.367	-0.363	20	70		DBIDRN
CC(C)CN(CC(N)=O)C(=O)Cn1cnc2c(cnn2C)c1=O	ZINC000159750219	375328475	/nfs/dbraw/zinc/32/84/75/375328475.db2.gz	RXOHAOXOSLRJGJ-UHFFFAOYSA-N	0	0	320.353	-0.900	20	70		DBIDRN
CN(C)C(=O)c1cc(NC(=O)CN2CCNCC2=O)ccc1F	ZINC000160360591	375378272	/nfs/dbraw/zinc/37/82/72/375378272.db2.gz	GXCCWZOEQWIULZ-UHFFFAOYSA-N	0	0	322.340	-0.102	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)Cn1c(=O)cnc2ccccc21	ZINC000160786239	377146300	/nfs/dbraw/zinc/14/63/00/377146300.db2.gz	ZSBALAACOAWBQZ-NSHDSACASA-N	0	0	305.334	-0.090	20	70		DBIDRN
CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21	ZINC000159703584	377221018	/nfs/dbraw/zinc/22/10/18/377221018.db2.gz	SKQSKWDRPFWNBR-UONOGXRCSA-N	0	0	303.362	-0.042	20	70		DBIDRN
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnns1	ZINC000160296182	378293508	/nfs/dbraw/zinc/29/35/08/378293508.db2.gz	WFFDGFUUAAWBJC-HTQZYQBOSA-N	0	0	304.397	-0.014	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1	ZINC000217711008	380177869	/nfs/dbraw/zinc/17/78/69/380177869.db2.gz	WSDRPULINWSMRE-SNVBAGLBSA-N	0	0	301.320	-0.646	20	70		DBIDRN
COC(=O)CCN(C)S(=O)(=O)NCC1(CO)CCCC1	ZINC000160057544	380673313	/nfs/dbraw/zinc/67/33/13/380673313.db2.gz	UOJZEPZUXRKVOC-UHFFFAOYSA-N	0	0	308.400	-0.132	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000217739504	381060895	/nfs/dbraw/zinc/06/08/95/381060895.db2.gz	JFHIGRHVGUVLQK-BQBZGAKWSA-N	0	0	312.244	-0.953	20	70		DBIDRN
CNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1C(=O)OC	ZINC000218053100	381060915	/nfs/dbraw/zinc/06/09/15/381060915.db2.gz	GULLWMMDQYYVSU-UHFFFAOYSA-N	0	0	318.326	-0.021	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000217739345	381061018	/nfs/dbraw/zinc/06/10/18/381061018.db2.gz	JFHIGRHVGUVLQK-RQJHMYQMSA-N	0	0	312.244	-0.953	20	70		DBIDRN
CCN(C(=O)CN1CCC(C)(O)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000161232733	392589014	/nfs/dbraw/zinc/58/90/14/392589014.db2.gz	WMCWRLQMHQKTSF-GFCCVEGCSA-N	0	0	318.439	-0.131	20	70		DBIDRN
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1	ZINC000160783911	544799818	/nfs/dbraw/zinc/79/98/18/544799818.db2.gz	PYPAJSLMKNWVER-WXHSDQCUSA-N	0	0	318.439	-0.277	20	70		DBIDRN
Nc1nc(N)nc(CN2CCN(Cc3ccncc3)CC2)n1	ZINC000161205178	337571818	/nfs/dbraw/zinc/57/18/18/337571818.db2.gz	PCVQORFYRQBEBL-UHFFFAOYSA-N	0	0	300.370	-0.251	20	70		DBIDRN
CCOC(=O)C[C@H](C)NC(=O)Cn1nc2ccccn2c1=O	ZINC000160095270	520875093	/nfs/dbraw/zinc/87/50/93/520875093.db2.gz	HQLGPUJZLILNLU-JTQLQIEISA-N	0	0	306.322	-0.046	20	70		DBIDRN
COC(=O)CCN(C)S(=O)(=O)N(C)CC1(O)CCOCC1	ZINC000161474038	523057913	/nfs/dbraw/zinc/05/79/13/523057913.db2.gz	WXFKJPQSFZPVGR-UHFFFAOYSA-N	0	0	324.399	-0.801	20	70		DBIDRN
COC(=O)Cn1cc(CCn2nc3ccccn3c2=O)nn1	ZINC000159572580	523397126	/nfs/dbraw/zinc/39/71/26/523397126.db2.gz	DHYIEBAFRPIQCK-UHFFFAOYSA-N	0	0	302.294	-0.497	20	70		DBIDRN
CN1C[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCC1=O	ZINC000160101327	524025745	/nfs/dbraw/zinc/02/57/45/524025745.db2.gz	HHZZYQUUSZQNDI-MRVPVSSYSA-N	0	0	324.362	-0.245	20	70		DBIDRN
C[C@@H](CO)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000160433976	524778870	/nfs/dbraw/zinc/77/88/70/524778870.db2.gz	RFVIWXSIOPBBGP-GWCFXTLKSA-N	0	0	304.350	-0.054	20	70		DBIDRN
O=S(=O)(NC[C@@H](O)Cc1ccccc1)N1CCOCC1	ZINC000161073226	527222174	/nfs/dbraw/zinc/22/21/74/527222174.db2.gz	SVBWKUWDCXNJFP-ZDUSSCGKSA-N	0	0	300.380	-0.243	20	70		DBIDRN
O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)N1CCOCC1	ZINC000159371238	527244015	/nfs/dbraw/zinc/24/40/15/527244015.db2.gz	FYFXSFGZPWIUIJ-LBPRGKRZSA-N	0	0	312.395	-0.173	20	70		DBIDRN
Cn1nccc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC000160502536	527594056	/nfs/dbraw/zinc/59/40/56/527594056.db2.gz	HOIBJDZEQDSOFQ-ZJUUUORDSA-N	0	0	300.384	-0.132	20	70		DBIDRN
COCCN(C)S(=O)(=O)N1CCC(Cn2ccnn2)CC1	ZINC000159487599	375144149	/nfs/dbraw/zinc/14/41/49/375144149.db2.gz	APNRCXBBUXSPLS-UHFFFAOYSA-N	0	0	317.415	-0.187	20	70		DBIDRN
CN1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21	ZINC000159727965	375157622	/nfs/dbraw/zinc/15/76/22/375157622.db2.gz	CFIMJEVWVFSYQB-QWHCGFSZSA-N	0	0	322.365	-0.380	20	70		DBIDRN
CC(=O)NCCNC(=O)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2	ZINC000160228457	375215293	/nfs/dbraw/zinc/21/52/93/375215293.db2.gz	WWNMVDIRLYYCJF-BETUJISGSA-N	0	0	310.398	-0.628	20	70		DBIDRN
CCc1noc(C)c1NC(=O)C(=O)NCCN1CCOCC1	ZINC000159953680	375350408	/nfs/dbraw/zinc/35/04/08/375350408.db2.gz	RKANPCCFCLDGOF-UHFFFAOYSA-N	0	0	310.354	-0.068	20	70		DBIDRN
Cn1cc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1	ZINC000160298139	375414949	/nfs/dbraw/zinc/41/49/49/375414949.db2.gz	LPXYRGYRBMVIBL-VXGBXAGGSA-N	0	0	314.411	-0.203	20	70		DBIDRN
CC(C)(C)c1nsc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1	ZINC000159872714	377232619	/nfs/dbraw/zinc/23/26/19/377232619.db2.gz	NPDIOWIUWTVVER-QMMMGPOBSA-N	0	0	309.395	-0.017	20	70		DBIDRN
CCn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)nc1C	ZINC000218090821	377376234	/nfs/dbraw/zinc/37/62/34/377376234.db2.gz	LGRCREBJWXAVBD-LBPRGKRZSA-N	0	0	304.416	-0.198	20	70		DBIDRN
CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1	ZINC000160204379	378293388	/nfs/dbraw/zinc/29/33/88/378293388.db2.gz	SEYBKJPKOYVXKK-CYBMUJFWSA-N	0	0	324.425	-0.475	20	70		DBIDRN
CC(C)N1C[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288636	379688465	/nfs/dbraw/zinc/68/84/65/379688465.db2.gz	ONNRTZXEDFQYFT-ZJUUUORDSA-N	0	0	303.384	-0.518	20	70		DBIDRN
O=C(CN1CCC([C@@H](O)C(F)(F)F)CC1)N1CCNC(=O)C1	ZINC000161249796	380118808	/nfs/dbraw/zinc/11/88/08/380118808.db2.gz	VEVWPOGKNLEZFD-GFCCVEGCSA-N	0	0	323.315	-0.420	20	70		DBIDRN
COCCN1C[C@@H](C(=O)NC[C@](C)(O)CSC)CC1=O	ZINC000217661170	381060599	/nfs/dbraw/zinc/06/05/99/381060599.db2.gz	AYOCRMXDQYNMCL-GWCFXTLKSA-N	0	0	304.412	-0.289	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)CCNC(=O)c1ccsc1	ZINC000217682044	381060862	/nfs/dbraw/zinc/06/08/62/381060862.db2.gz	MSQYUZLIDSTZHS-SECBINFHSA-N	0	0	300.336	-0.482	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)CN(C)C(=O)c1cccs1	ZINC000217669079	381061140	/nfs/dbraw/zinc/06/11/40/381061140.db2.gz	GHNWDCSIZMOPMR-MRVPVSSYSA-N	0	0	300.336	-0.530	20	70		DBIDRN
CC(C)N1C[C@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288653	393477324	/nfs/dbraw/zinc/47/73/24/393477324.db2.gz	TYTQFWFYQOWJFG-MNOVXSKESA-N	0	0	317.411	-0.176	20	70		DBIDRN
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](CO)C1	ZINC000218438766	265672747	/nfs/dbraw/zinc/67/27/47/265672747.db2.gz	JTHCOAMCFXMAHW-VXGBXAGGSA-N	0	0	320.411	-0.037	20	70		DBIDRN
COCCCS(=O)(=O)N1CCN(Cc2cncn2C)CC1	ZINC000160130744	523426843	/nfs/dbraw/zinc/42/68/43/523426843.db2.gz	GGEZHDQXMTWWMK-UHFFFAOYSA-N	0	0	316.427	-0.096	20	70		DBIDRN
CN1C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCC1=O	ZINC000160101460	524013054	/nfs/dbraw/zinc/01/30/54/524013054.db2.gz	HHZZYQUUSZQNDI-QMMMGPOBSA-N	0	0	324.362	-0.245	20	70		DBIDRN
C[C@H](CCO)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000161040009	524205715	/nfs/dbraw/zinc/20/57/15/524205715.db2.gz	RXTJWACHXRKFEG-SECBINFHSA-N	0	0	320.349	-0.620	20	70		DBIDRN
C[C@@H](CO)CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000160472194	524772523	/nfs/dbraw/zinc/77/25/23/524772523.db2.gz	IFGPXBQLFFGFJK-SNVBAGLBSA-N	0	0	305.334	-0.176	20	70		DBIDRN
Cc1n[nH]cc1CCCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	ZINC000160238298	525493108	/nfs/dbraw/zinc/49/31/08/525493108.db2.gz	LSMBWHFFAFTHCS-NEPJUHHUSA-N	0	0	309.370	-0.017	20	70		DBIDRN
CC(C)COC[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O	ZINC000159396348	375143627	/nfs/dbraw/zinc/14/36/27/375143627.db2.gz	ZMSSKAONLSDQRD-LBPRGKRZSA-N	0	0	322.365	-0.354	20	70		DBIDRN
NS(=O)(=O)CCN1CCN(Cc2cnc3ccccn23)CC1	ZINC000160864122	376385409	/nfs/dbraw/zinc/38/54/09/376385409.db2.gz	ZOAYZGUJYDUXNG-UHFFFAOYSA-N	0	0	323.422	-0.260	20	70		DBIDRN
Cn1cc([C@@]2(C)CN(C[C@H](O)CN3CCOCC3)CCO2)cn1	ZINC000159402226	376615437	/nfs/dbraw/zinc/61/54/37/376615437.db2.gz	KJHBNLPBGKODOP-HZPDHXFCSA-N	0	0	324.425	-0.339	20	70		DBIDRN
COC[C@H](O)CCNC(=O)Cn1c(=O)cnc2ccccc21	ZINC000160786122	377145256	/nfs/dbraw/zinc/14/52/56/377145256.db2.gz	ZSBALAACOAWBQZ-LLVKDONJSA-N	0	0	305.334	-0.090	20	70		DBIDRN
COC[C@H](O)CCNC(=O)Cn1cnc2ccccc2c1=O	ZINC000160882625	377156103	/nfs/dbraw/zinc/15/61/03/377156103.db2.gz	JWNSDAMIWCTBFY-LLVKDONJSA-N	0	0	305.334	-0.090	20	70		DBIDRN
CCOC(=O)CCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000160706838	379669054	/nfs/dbraw/zinc/66/90/54/379669054.db2.gz	WSUYVIFRYVBRBM-GHMZBOCLSA-N	0	0	318.395	-0.130	20	70		DBIDRN
Cc1cc(NC(=O)CN2CCN(Cc3nncn3C)CC2)no1	ZINC000160732184	379798698	/nfs/dbraw/zinc/79/86/98/379798698.db2.gz	UNLAHTYSJUOFTQ-UHFFFAOYSA-N	0	0	319.369	-0.132	20	70		DBIDRN
CCS(=O)(=O)N1CCC(C(=O)N(CCO)CCOC)CC1	ZINC000160642918	380676128	/nfs/dbraw/zinc/67/61/28/380676128.db2.gz	GODYAXBJXDQCIL-UHFFFAOYSA-N	0	0	322.427	-0.485	20	70		DBIDRN
CSC[C@](C)(O)CNC(=O)CCCN1C(=O)CN(C)C1=O	ZINC000217627564	381060653	/nfs/dbraw/zinc/06/06/53/381060653.db2.gz	NZJALYQPBJPZQS-CYBMUJFWSA-N	0	0	317.411	-0.109	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)[C@H](C)NC(=O)c1cccs1	ZINC000217703249	381060712	/nfs/dbraw/zinc/06/07/12/381060712.db2.gz	DTSHUBCDWNHPNZ-YUMQZZPRSA-N	0	0	300.336	-0.484	20	70		DBIDRN
CSC[C@](C)(O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O	ZINC000217672521	382642247	/nfs/dbraw/zinc/64/22/47/382642247.db2.gz	QQDLFGAIFOVBMM-MWLCHTKSSA-N	0	0	310.441	-0.359	20	70		DBIDRN
O=C(CO)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1	ZINC000161491518	337588478	/nfs/dbraw/zinc/58/84/78/337588478.db2.gz	VQXQQFUNPVAOKC-UHFFFAOYSA-N	0	0	317.296	-0.183	20	70		DBIDRN
CC(C)C[C@@H](CO)NC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000160712336	519224015	/nfs/dbraw/zinc/22/40/15/519224015.db2.gz	KZAZKBRJBZZWQP-VIFPVBQESA-N	0	0	305.338	-0.035	20	70		DBIDRN
CO[C@]1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000161072788	521771478	/nfs/dbraw/zinc/77/14/78/521771478.db2.gz	PTDBTZFKDHXJDK-ZDUSSCGKSA-N	0	0	314.363	-0.131	20	70		DBIDRN
CC[C@H](C)[C@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000160035610	521996759	/nfs/dbraw/zinc/99/67/59/521996759.db2.gz	IMNXETVELXMCCD-GZMMTYOYSA-N	0	0	305.338	-0.035	20	70		DBIDRN
CCc1n[nH]c(=O)c(CNC(=O)N2CCNC(=O)[C@H]2C)c1CC	ZINC000160404588	522126043	/nfs/dbraw/zinc/12/60/43/522126043.db2.gz	PZENZCVXYOMFRK-SECBINFHSA-N	0	0	321.381	-0.075	20	70		DBIDRN
CC[C@@H](C)[C@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000160035464	522393460	/nfs/dbraw/zinc/39/34/60/522393460.db2.gz	IMNXETVELXMCCD-LDYMZIIASA-N	0	0	305.338	-0.035	20	70		DBIDRN
CN(CCS(C)(=O)=O)[C@@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000160433397	522923699	/nfs/dbraw/zinc/92/36/99/522923699.db2.gz	ZOSPDHFLZSNKKJ-GFCCVEGCSA-N	0	0	314.411	-0.108	20	70		DBIDRN
COC(=O)C[C@H]1C(=O)NCCN1Cc1cnc2cnccn12	ZINC000159797975	523343176	/nfs/dbraw/zinc/34/31/76/523343176.db2.gz	KCAKLDYHBYZIDO-NSHDSACASA-N	0	0	303.322	-0.407	20	70		DBIDRN
C[C@@H](CCO)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000161039874	524507260	/nfs/dbraw/zinc/50/72/60/524507260.db2.gz	RXTJWACHXRKFEG-VIFPVBQESA-N	0	0	320.349	-0.620	20	70		DBIDRN
C[C@H](CO)N(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000160434316	524534435	/nfs/dbraw/zinc/53/44/35/524534435.db2.gz	RFVIWXSIOPBBGP-ZWNOBZJWSA-N	0	0	304.350	-0.054	20	70		DBIDRN
Cn1c2ccc(S(=O)(=O)NCC(C)(C)O)cc2n(C)c1=O	ZINC000160991661	527104261	/nfs/dbraw/zinc/10/42/61/527104261.db2.gz	AYYKFQRVPVHZAG-UHFFFAOYSA-N	0	0	313.379	-0.074	20	70		DBIDRN
Cn1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1	ZINC000160580418	527166110	/nfs/dbraw/zinc/16/61/10/527166110.db2.gz	DOJFFYSNRYYMMA-GXSJLCMTSA-N	0	0	300.384	-0.132	20	70		DBIDRN
Cn1nccc1/C=C/C(=O)NC[C@H]1CCCN1S(C)(=O)=O	ZINC000160533313	527591798	/nfs/dbraw/zinc/59/17/98/527591798.db2.gz	IKOREORCSYCBSC-BTDICHCPSA-N	0	0	312.395	-0.027	20	70		DBIDRN
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](CO)[C@@H](O)C1	ZINC000216864363	375196979	/nfs/dbraw/zinc/19/69/79/375196979.db2.gz	AOXUICRMNGHSGS-RISCZKNCSA-N	0	0	317.345	-0.402	20	70		DBIDRN
CCOC(=O)C[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O	ZINC000160095142	375205956	/nfs/dbraw/zinc/20/59/56/375205956.db2.gz	HQLGPUJZLILNLU-SNVBAGLBSA-N	0	0	306.322	-0.046	20	70		DBIDRN
CN1CCO[C@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21	ZINC000159731917	375325426	/nfs/dbraw/zinc/32/54/26/375325426.db2.gz	OILGOIBVGHGSPI-GJZGRUSLSA-N	0	0	317.389	-0.113	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)CCn1nc2ccccn2c1=O	ZINC000161061259	377230220	/nfs/dbraw/zinc/23/02/20/377230220.db2.gz	ZLAJSHVMMDQZOF-NSHDSACASA-N	0	0	308.338	-0.600	20	70		DBIDRN
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnns1	ZINC000160296308	378293003	/nfs/dbraw/zinc/29/30/03/378293003.db2.gz	WFFDGFUUAAWBJC-SFYZADRCSA-N	0	0	304.397	-0.014	20	70		DBIDRN
COCCCS(=O)(=O)N1CCN(Cc2ncnn2C)CC1	ZINC000160130596	378294632	/nfs/dbraw/zinc/29/46/32/378294632.db2.gz	YVYCMWAIPJKNME-UHFFFAOYSA-N	0	0	317.415	-0.701	20	70		DBIDRN
CCOC(=O)CCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000160706970	379668369	/nfs/dbraw/zinc/66/83/69/379668369.db2.gz	WSUYVIFRYVBRBM-MNOVXSKESA-N	0	0	318.395	-0.130	20	70		DBIDRN
CC(C)(C)N1C[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217285894	380465893	/nfs/dbraw/zinc/46/58/93/380465893.db2.gz	QKGBUGHSWGWLAV-UWVGGRQHSA-N	0	0	317.411	-0.128	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1cccs1	ZINC000217703082	381059799	/nfs/dbraw/zinc/05/97/99/381059799.db2.gz	DTSHUBCDWNHPNZ-SFYZADRCSA-N	0	0	300.336	-0.484	20	70		DBIDRN
CSC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000217672265	382642309	/nfs/dbraw/zinc/64/23/09/382642309.db2.gz	QQDLFGAIFOVBMM-ONGXEEELSA-N	0	0	310.441	-0.359	20	70		DBIDRN
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](CO)C1	ZINC000218438675	392161683	/nfs/dbraw/zinc/16/16/83/392161683.db2.gz	JTHCOAMCFXMAHW-NEPJUHHUSA-N	0	0	320.411	-0.037	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000161138101	392586625	/nfs/dbraw/zinc/58/66/25/392586625.db2.gz	YXBNNRWLHXKZRB-BDAKNGLRSA-N	0	0	312.288	-0.089	20	70		DBIDRN
Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)ncn1	ZINC000161281734	544834475	/nfs/dbraw/zinc/83/44/75/544834475.db2.gz	XVYWVACYTDFHRF-UHFFFAOYSA-N	0	0	303.366	-0.179	20	70		DBIDRN
CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217285889	278354652	/nfs/dbraw/zinc/35/46/52/278354652.db2.gz	QKGBUGHSWGWLAV-NXEZZACHSA-N	0	0	317.411	-0.128	20	70		DBIDRN
CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cnn(C)c1	ZINC000159690411	519650778	/nfs/dbraw/zinc/65/07/78/519650778.db2.gz	NYWLMBNGQNDKKC-UHFFFAOYSA-N	0	0	309.413	-0.136	20	70		DBIDRN
CC(C)N1CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC1	ZINC000159797013	519680603	/nfs/dbraw/zinc/68/06/03/519680603.db2.gz	GQAKDQPLJZVKLF-UHFFFAOYSA-N	0	0	316.365	-0.006	20	70		DBIDRN
CC(C)COC[C@H](O)CNC(=O)Cn1nc2ccccn2c1=O	ZINC000159396255	519758630	/nfs/dbraw/zinc/75/86/30/519758630.db2.gz	ZMSSKAONLSDQRD-GFCCVEGCSA-N	0	0	322.365	-0.354	20	70		DBIDRN
O=C(CN1CCNCC1=O)Nc1cnn(CC(F)(F)F)c1	ZINC000159703443	534538989	/nfs/dbraw/zinc/53/89/89/534538989.db2.gz	AKYNLFOVSJTTNP-UHFFFAOYSA-N	0	0	305.260	-0.184	20	70		DBIDRN
COC(=O)C[C@@H]1C(=O)NCCN1Cc1cnc2cnccn12	ZINC000159797833	523283645	/nfs/dbraw/zinc/28/36/45/523283645.db2.gz	KCAKLDYHBYZIDO-LLVKDONJSA-N	0	0	303.322	-0.407	20	70		DBIDRN
COC(=O)Cn1cc(CCN2CCNC(=O)[C@@H]2C(C)C)nn1	ZINC000160115455	523393667	/nfs/dbraw/zinc/39/36/67/523393667.db2.gz	XIMGKFVGTMXFFJ-ZDUSSCGKSA-N	0	0	309.370	-0.550	20	70		DBIDRN
C[C@H](CO)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000159700623	524530108	/nfs/dbraw/zinc/53/01/08/524530108.db2.gz	OZIXBNNZKXBERU-VIFPVBQESA-N	0	0	313.379	-0.216	20	70		DBIDRN
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnsn1	ZINC000160362460	525212439	/nfs/dbraw/zinc/21/24/39/525212439.db2.gz	JQQVZINORKAPLR-SFYZADRCSA-N	0	0	304.397	-0.014	20	70		DBIDRN
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC[C@H]1CO	ZINC000159858380	527282993	/nfs/dbraw/zinc/28/29/93/527282993.db2.gz	REXPPJHTZNFCCT-NSHDSACASA-N	0	0	309.351	-0.192	20	70		DBIDRN
Cn1nccc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	ZINC000160502789	527593602	/nfs/dbraw/zinc/59/36/02/527593602.db2.gz	HOIBJDZEQDSOFQ-NXEZZACHSA-N	0	0	300.384	-0.132	20	70		DBIDRN
CN1CC[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1=O	ZINC000159974612	283039801	/nfs/dbraw/zinc/03/98/01/283039801.db2.gz	LYWAUGPVYHCZPU-SNVBAGLBSA-N	0	0	302.396	-0.110	20	70		DBIDRN
CN1CC[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)CC1=O	ZINC000159974751	283110471	/nfs/dbraw/zinc/11/04/71/283110471.db2.gz	LYWAUGPVYHCZPU-JTQLQIEISA-N	0	0	302.396	-0.110	20	70		DBIDRN
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1(CO)CC1	ZINC000160220311	375373442	/nfs/dbraw/zinc/37/34/42/375373442.db2.gz	ZHOQOYAGGDCEGE-UHFFFAOYSA-N	0	0	303.318	-0.279	20	70		DBIDRN
Cn1cc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	ZINC000160297882	375414431	/nfs/dbraw/zinc/41/44/31/375414431.db2.gz	LPXYRGYRBMVIBL-NEPJUHHUSA-N	0	0	314.411	-0.203	20	70		DBIDRN
Cn1cnnc1CN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000160754966	377005062	/nfs/dbraw/zinc/00/50/62/377005062.db2.gz	IZJGTNJKLHHAAZ-UHFFFAOYSA-N	0	0	306.414	-0.055	20	70		DBIDRN
C[C@H](CO)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000160433657	378294808	/nfs/dbraw/zinc/29/48/08/378294808.db2.gz	JBCGJWZVUXPSFS-MRVPVSSYSA-N	0	0	306.322	-0.915	20	70		DBIDRN
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(C)(C)CO	ZINC000160353451	378588406	/nfs/dbraw/zinc/58/84/06/378588406.db2.gz	QWUDPIANXXPZKF-JTQLQIEISA-N	0	0	308.400	-0.133	20	70		DBIDRN
COC(=O)c1ccccc1S(=O)(=O)NCCNC(C)=O	ZINC000217712498	381060323	/nfs/dbraw/zinc/06/03/23/381060323.db2.gz	KXTDVQGPLJGSMF-UHFFFAOYSA-N	0	0	300.336	-0.112	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)CNC(=O)c1cccc(Cl)c1	ZINC000217676534	381060841	/nfs/dbraw/zinc/06/08/41/381060841.db2.gz	SVPXZARMYWCZML-SNVBAGLBSA-N	0	0	314.725	-0.280	20	70		DBIDRN
CN(C)c1nc(CN2CCN(S(C)(=O)=O)CC2)ns1	ZINC000161464811	382353154	/nfs/dbraw/zinc/35/31/54/382353154.db2.gz	VMXBUXQJZFEPJP-UHFFFAOYSA-N	0	0	305.429	-0.319	20	70		DBIDRN
CSC[C@](C)(O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O	ZINC000217672353	382642157	/nfs/dbraw/zinc/64/21/57/382642157.db2.gz	QQDLFGAIFOVBMM-GXSJLCMTSA-N	0	0	310.441	-0.359	20	70		DBIDRN
Cn1cnnc1CN1CCN(CC(=O)N2CCCCC2)CC1	ZINC000160724549	392855838	/nfs/dbraw/zinc/85/58/38/392855838.db2.gz	ATIFARJMHIKECL-UHFFFAOYSA-N	0	0	306.414	-0.055	20	70		DBIDRN
CCNC(=O)CN1CCN(CCCS(=O)(=O)C(C)C)CC1	ZINC000160736713	392858153	/nfs/dbraw/zinc/85/81/53/392858153.db2.gz	SXMCVUJXRVGEOV-UHFFFAOYSA-N	0	0	319.471	-0.047	20	70		DBIDRN
CC(=O)N[C@H]1CCCN(C(=O)Cn2cnn(C(C)(C)C)c2=O)C1	ZINC000159601989	278177970	/nfs/dbraw/zinc/17/79/70/278177970.db2.gz	GADSAYIYPJACMO-LBPRGKRZSA-N	0	0	323.397	-0.073	20	70		DBIDRN
CCC(CC)CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1	ZINC000160555946	332822844	/nfs/dbraw/zinc/82/28/44/332822844.db2.gz	RCZWTTYFLRNMLU-UHFFFAOYSA-N	0	0	323.401	-0.037	20	70		DBIDRN
CC(C)(C)NC(=O)CNC(=O)COn1nnc2ccccc21	ZINC000160591473	332833917	/nfs/dbraw/zinc/83/39/17/332833917.db2.gz	OLVILFCTNHHCFK-UHFFFAOYSA-N	0	0	305.338	-0.109	20	70		DBIDRN
C[C@@H](CO)CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@H](C)CO	ZINC000159597831	332676810	/nfs/dbraw/zinc/67/68/10/332676810.db2.gz	JXIUDFTYVXSCDX-FNFFVJSTSA-N	0	0	300.399	-0.108	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)CCNC(=O)c1ccsc1	ZINC000217681971	523646095	/nfs/dbraw/zinc/64/60/95/523646095.db2.gz	MSQYUZLIDSTZHS-VIFPVBQESA-N	0	0	300.336	-0.482	20	70		DBIDRN
COCCN1C[C@H](C(=O)NC[C@@](C)(O)CSC)CC1=O	ZINC000217661091	523886687	/nfs/dbraw/zinc/88/66/87/523886687.db2.gz	AYOCRMXDQYNMCL-ZWNOBZJWSA-N	0	0	304.412	-0.289	20	70		DBIDRN
C[C@H](CO)N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000160379691	524534250	/nfs/dbraw/zinc/53/42/50/524534250.db2.gz	HIBSVMBNDRROBQ-SNVBAGLBSA-N	0	0	305.334	-0.081	20	70		DBIDRN
O=S(=O)(NC[C@H](O)Cc1ccccc1)N1CCOCC1	ZINC000161073341	527226819	/nfs/dbraw/zinc/22/68/19/527226819.db2.gz	SVBWKUWDCXNJFP-CYBMUJFWSA-N	0	0	300.380	-0.243	20	70		DBIDRN
Cc1noc([C@H]2COCCN2C[C@H](O)CN2CCOCC2)n1	ZINC000161028217	377215038	/nfs/dbraw/zinc/21/50/38/377215038.db2.gz	KGSLZRCTBLLFBV-CHWSQXEVSA-N	0	0	312.370	-0.556	20	70		DBIDRN
COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCNC(=O)C1	ZINC000218053003	377337192	/nfs/dbraw/zinc/33/71/92/377337192.db2.gz	PPRDGRCIXYNRCA-UHFFFAOYSA-N	0	0	316.310	-0.267	20	70		DBIDRN
CCOC(=O)c1c[nH]nc1S(=O)(=O)NCC(C)(C)CO	ZINC000160062359	378161348	/nfs/dbraw/zinc/16/13/48/378161348.db2.gz	PXCCEHBXPUQQKI-UHFFFAOYSA-N	0	0	305.356	-0.117	20	70		DBIDRN
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnns1	ZINC000160296427	378293494	/nfs/dbraw/zinc/29/34/94/378293494.db2.gz	WFFDGFUUAAWBJC-JGVFFNPUSA-N	0	0	304.397	-0.014	20	70		DBIDRN
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C3([NH3+])CC3)cn2)C[C@@H](C)O1	ZINC000160708348	378296471	/nfs/dbraw/zinc/29/64/71/378296471.db2.gz	NIAFZKHPQHJHDV-GHMZBOCLSA-N	0	0	321.381	-0.051	20	70		DBIDRN
COC(=O)CCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000160148946	378302683	/nfs/dbraw/zinc/30/26/83/378302683.db2.gz	OLZCIMVLUYNKEK-MNOVXSKESA-N	0	0	318.395	-0.130	20	70		DBIDRN
C[C@@H](CNS(=O)(=O)C[C@@H]1CCOC1)CN1CCOCC1	ZINC000160376380	378627182	/nfs/dbraw/zinc/62/71/82/378627182.db2.gz	LLIJZEWIJYDWBR-QWHCGFSZSA-N	0	0	306.428	-0.089	20	70		DBIDRN
CC(C)N1C[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288634	379688051	/nfs/dbraw/zinc/68/80/51/379688051.db2.gz	ONNRTZXEDFQYFT-NXEZZACHSA-N	0	0	303.384	-0.518	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)[C@H](C)NC(=O)c1cccs1	ZINC000217703333	380123146	/nfs/dbraw/zinc/12/31/46/380123146.db2.gz	DTSHUBCDWNHPNZ-JGVFFNPUSA-N	0	0	300.336	-0.484	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000217702890	381061308	/nfs/dbraw/zinc/06/13/08/381061308.db2.gz	LRDRWIUYKLIOCW-NSHDSACASA-N	0	0	315.347	-0.338	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)CNC(=O)c1cccc(Cl)c1	ZINC000217676455	381061339	/nfs/dbraw/zinc/06/13/39/381061339.db2.gz	SVPXZARMYWCZML-JTQLQIEISA-N	0	0	314.725	-0.280	20	70		DBIDRN
O=C1CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@@H]2N1	ZINC000160721994	544645884	/nfs/dbraw/zinc/64/58/84/544645884.db2.gz	PMKKDWYSTMILKX-MNOVXSKESA-N	0	0	303.384	-0.836	20	70		DBIDRN
CC(C)(CO)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000160356780	544763094	/nfs/dbraw/zinc/76/30/94/544763094.db2.gz	USGURSMOBDBISI-UHFFFAOYSA-N	0	0	322.408	-0.369	20	70		DBIDRN
Cc1noc([C@@H]2COCCN2C[C@H](O)CN2CCOCC2)n1	ZINC000161028082	333781324	/nfs/dbraw/zinc/78/13/24/333781324.db2.gz	KGSLZRCTBLLFBV-OLZOCXBDSA-N	0	0	312.370	-0.556	20	70		DBIDRN
CCN1CCN(CC(=O)N[C@H](C)Cc2cc(C)n[nH]2)C(=O)C1=O	ZINC000161133292	521676584	/nfs/dbraw/zinc/67/65/84/521676584.db2.gz	BYPWUBMIGNGDSY-SNVBAGLBSA-N	0	0	321.381	-0.544	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)Cn1nnc(-c2ccccc2)n1	ZINC000161508812	522386185	/nfs/dbraw/zinc/38/61/85/522386185.db2.gz	KHHJTVGAEVHQRY-LBPRGKRZSA-N	0	0	305.338	-0.146	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)CNC(=O)Cc1cccc(F)c1	ZINC000161457921	522388063	/nfs/dbraw/zinc/38/80/63/522388063.db2.gz	HPPATFUATBBMER-ZDUSSCGKSA-N	0	0	312.341	-0.002	20	70		DBIDRN
COC(=O)Cn1cc(CCN2CCNC(=O)[C@H]2C(C)C)nn1	ZINC000160115352	523392306	/nfs/dbraw/zinc/39/23/06/523392306.db2.gz	XIMGKFVGTMXFFJ-CYBMUJFWSA-N	0	0	309.370	-0.550	20	70		DBIDRN
COCCN(CCO)C(=O)CSc1nnnn1C1CC1	ZINC000160604126	523701773	/nfs/dbraw/zinc/70/17/73/523701773.db2.gz	FEIBNZZSJNDTKF-UHFFFAOYSA-N	0	0	301.372	-0.433	20	70		DBIDRN
COCCN(CCO)C(=O)CSCC(=O)N1CCOCC1	ZINC000160605369	523702496	/nfs/dbraw/zinc/70/24/96/523702496.db2.gz	JXZXPABCUQSSNH-UHFFFAOYSA-N	0	0	320.411	-0.954	20	70		DBIDRN
C[C@H](CO)CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000160472080	524523844	/nfs/dbraw/zinc/52/38/44/524523844.db2.gz	IFGPXBQLFFGFJK-JTQLQIEISA-N	0	0	305.334	-0.176	20	70		DBIDRN
C[C@@H](CO)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000160440034	524780583	/nfs/dbraw/zinc/78/05/83/524780583.db2.gz	RJXMOMZOWFHXHU-JTQLQIEISA-N	0	0	305.334	-0.081	20	70		DBIDRN
C[C@@H](CO)N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000160379615	524781440	/nfs/dbraw/zinc/78/14/40/524781440.db2.gz	HIBSVMBNDRROBQ-JTQLQIEISA-N	0	0	305.334	-0.081	20	70		DBIDRN
C[C@@H](CO)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000160433559	524785615	/nfs/dbraw/zinc/78/56/15/524785615.db2.gz	JBCGJWZVUXPSFS-QMMMGPOBSA-N	0	0	306.322	-0.915	20	70		DBIDRN
O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCCO	ZINC000159427554	526379335	/nfs/dbraw/zinc/37/93/35/526379335.db2.gz	NAMUBHYYASGJFO-UHFFFAOYSA-N	0	0	306.366	-0.381	20	70		DBIDRN
O=C(CCCNC(=O)c1cccnc1)NCC(=O)NC1CC1	ZINC000160213007	526441882	/nfs/dbraw/zinc/44/18/82/526441882.db2.gz	XKRMFMRNKQDSIG-UHFFFAOYSA-N	0	0	304.350	-0.014	20	70		DBIDRN
NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000159805221	527098984	/nfs/dbraw/zinc/09/89/84/527098984.db2.gz	YRFQYMYWSWHQPG-ONGXEEELSA-N	0	0	303.322	-0.139	20	70		DBIDRN
O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCCO	ZINC000159457110	375145105	/nfs/dbraw/zinc/14/51/05/375145105.db2.gz	NPPPTGPSGKIHHI-UHFFFAOYSA-N	0	0	301.302	-0.268	20	70		DBIDRN
CC(C)[C@@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	ZINC000159762091	375160679	/nfs/dbraw/zinc/16/06/79/375160679.db2.gz	WTPMXLNYXJWJAX-LBPRGKRZSA-N	0	0	305.334	-0.177	20	70		DBIDRN
CCCn1c(N)c(C(=O)CN2CCCC[C@@H]2CO)c(=O)[nH]c1=O	ZINC000159921556	375181187	/nfs/dbraw/zinc/18/11/87/375181187.db2.gz	WZBZHLSTBGFDSR-SNVBAGLBSA-N	0	0	324.381	-0.442	20	70		DBIDRN
CC(=O)N1CC[C@H](NC(=O)CCn2nc3ccccn3c2=O)C1	ZINC000159740704	375325650	/nfs/dbraw/zinc/32/56/50/375325650.db2.gz	NSQMJNNTZVDIHZ-LBPRGKRZSA-N	0	0	317.349	-0.377	20	70		DBIDRN
Cc1cccc2[nH]c(CNC(=O)c3cn(CC(N)=O)nn3)nc21	ZINC000160597474	375398705	/nfs/dbraw/zinc/39/87/05/375398705.db2.gz	KRYWSUXBXCHZCP-UHFFFAOYSA-N	0	0	313.321	-0.122	20	70		DBIDRN
C[C@H](CO)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	ZINC000160440138	375980245	/nfs/dbraw/zinc/98/02/45/375980245.db2.gz	RJXMOMZOWFHXHU-SNVBAGLBSA-N	0	0	305.334	-0.081	20	70		DBIDRN
Cc1noc([C@H]2COCCN2CC(=O)N2CCN(C)CC2)n1	ZINC000161192953	376401362	/nfs/dbraw/zinc/40/13/62/376401362.db2.gz	LBLGTOTYMXOPPQ-GFCCVEGCSA-N	0	0	309.370	-0.475	20	70		DBIDRN
Cn1cc([C@]2(C)CN(C[C@H](O)CN3CCOCC3)CCO2)cn1	ZINC000159402353	376615259	/nfs/dbraw/zinc/61/52/59/376615259.db2.gz	KJHBNLPBGKODOP-CVEARBPZSA-N	0	0	324.425	-0.339	20	70		DBIDRN
CCn1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)cn1	ZINC000160830633	378296239	/nfs/dbraw/zinc/29/62/39/378296239.db2.gz	VJCHWAZYKOPPEA-UHFFFAOYSA-N	0	0	316.427	-0.020	20	70		DBIDRN
CC(C)N1C[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288637	379688697	/nfs/dbraw/zinc/68/86/97/379688697.db2.gz	ONNRTZXEDFQYFT-VHSXEESVSA-N	0	0	303.384	-0.518	20	70		DBIDRN
CCn1ccnc1CN1CCN(C(=O)C(=O)NC2CC2)CC1	ZINC000160794866	379905626	/nfs/dbraw/zinc/90/56/26/379905626.db2.gz	RTKUSCRYTHZHCW-UHFFFAOYSA-N	0	0	305.382	-0.174	20	70		DBIDRN
CN(C)c1nc(N)nc(Cn2c(-c3cccnc3)noc2=O)n1	ZINC000161289012	380121220	/nfs/dbraw/zinc/12/12/20/380121220.db2.gz	BBAQVIMBUXTPLS-UHFFFAOYSA-N	0	0	314.309	-0.220	20	70		DBIDRN
COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000161138209	392587038	/nfs/dbraw/zinc/58/70/38/392587038.db2.gz	YXBNNRWLHXKZRB-DTWKUNHWSA-N	0	0	312.288	-0.089	20	70		DBIDRN
O=C(NC1CC=CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	ZINC000161071377	544817779	/nfs/dbraw/zinc/81/77/79/544817779.db2.gz	GQUFBHJPOKKWJY-JQWIXIFHSA-N	0	0	312.391	-0.143	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)Cn1cnc2ccccc2c1=O	ZINC000160882747	333677370	/nfs/dbraw/zinc/67/73/70/333677370.db2.gz	JWNSDAMIWCTBFY-NSHDSACASA-N	0	0	305.334	-0.090	20	70		DBIDRN
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCC(N)=O)c1C	ZINC000159514353	521368629	/nfs/dbraw/zinc/36/86/29/521368629.db2.gz	CADYUJPEUBHRGM-UHFFFAOYSA-N	0	0	317.367	-0.038	20	70		DBIDRN
CC[C@H](C)[C@@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000160035869	521874453	/nfs/dbraw/zinc/87/44/53/521874453.db2.gz	IMNXETVELXMCCD-KWQFWETISA-N	0	0	305.338	-0.035	20	70		DBIDRN
COC[C@H](O)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C	ZINC000161400524	522773061	/nfs/dbraw/zinc/77/30/61/522773061.db2.gz	PBGKALOFPMNIBT-LLVKDONJSA-N	0	0	322.365	-0.304	20	70		DBIDRN
COC[C@H](O)CCNC(=O)Cn1c2ccccc2n(C)c1=O	ZINC000161443210	522773158	/nfs/dbraw/zinc/77/31/58/522773158.db2.gz	USBCXGKGENTOQH-LLVKDONJSA-N	0	0	307.350	-0.146	20	70		DBIDRN
COC[C@H](O)CCNC(=O)Cn1nnc(-c2ccccc2)n1	ZINC000161508695	522774226	/nfs/dbraw/zinc/77/42/26/522774226.db2.gz	KHHJTVGAEVHQRY-GFCCVEGCSA-N	0	0	305.338	-0.146	20	70		DBIDRN
O=C(CN1CCN(Cc2ccncc2)CC1)N1CCNC1=O	ZINC000161194281	526776539	/nfs/dbraw/zinc/77/65/39/526776539.db2.gz	OIQCWBOPZXUXIC-UHFFFAOYSA-N	0	0	303.366	-0.249	20	70		DBIDRN
Cc1nc(CC(=O)N2CCN(S(N)(=O)=O)CC2)c(C)s1	ZINC000160495523	526787966	/nfs/dbraw/zinc/78/79/66/526787966.db2.gz	ORWKDOMGDKQJBM-UHFFFAOYSA-N	0	0	318.424	-0.350	20	70		DBIDRN
NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000159805088	527098340	/nfs/dbraw/zinc/09/83/40/527098340.db2.gz	YRFQYMYWSWHQPG-KOLCDFICSA-N	0	0	303.322	-0.139	20	70		DBIDRN
O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)N1CCOCC1	ZINC000159371382	527238326	/nfs/dbraw/zinc/23/83/26/527238326.db2.gz	FYFXSFGZPWIUIJ-GFCCVEGCSA-N	0	0	312.395	-0.173	20	70		DBIDRN
Cn1cc(N2CCC[C@@H](N3CCO[C@H](C(N)=O)C3)C2=O)cn1	ZINC000159903615	527242454	/nfs/dbraw/zinc/24/24/54/527242454.db2.gz	NXAIJQBGTCUICS-NEPJUHHUSA-N	0	0	307.354	-0.898	20	70		DBIDRN
CNC(=O)c1cccc(CCNC(=O)CN2CCNCC2=O)c1	ZINC000160371231	529945828	/nfs/dbraw/zinc/94/58/28/529945828.db2.gz	KWNGPCWCUPFJFO-UHFFFAOYSA-N	0	0	318.377	-0.863	20	70		DBIDRN
Cn1ccnc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1	ZINC000160799809	238337919	/nfs/dbraw/zinc/33/79/19/238337919.db2.gz	UFFHKDRKUASIPV-UHFFFAOYSA-N	0	0	305.382	-0.313	20	70		DBIDRN
O=C(Cn1nc2ccccn2c1=O)NC[C@H](O)COCC1CC1	ZINC000159435670	375145225	/nfs/dbraw/zinc/14/52/25/375145225.db2.gz	ZPDGTZXMTMNGOP-LBPRGKRZSA-N	0	0	320.349	-0.600	20	70		DBIDRN
CNC(=O)N[C@H]1CCN(C(=O)[C@@H](NC(=O)OC)C(C)C)C1	ZINC000217985844	375196757	/nfs/dbraw/zinc/19/67/57/375196757.db2.gz	BZRFGEJGDVQCRN-UWVGGRQHSA-N	0	0	300.359	-0.103	20	70		DBIDRN
CC(C)CN(CC(N)=O)C(=O)Cn1nc2ccccn2c1=O	ZINC000159740365	375326339	/nfs/dbraw/zinc/32/63/39/375326339.db2.gz	LWOGJRZVUJYJNB-UHFFFAOYSA-N	0	0	305.338	-0.534	20	70		DBIDRN
Cn1cccc(NC(=O)NCCNC(=O)c2ccn[nH]2)c1=O	ZINC000160767007	376381278	/nfs/dbraw/zinc/38/12/78/376381278.db2.gz	QKASJIUVEXWLFF-UHFFFAOYSA-N	0	0	304.310	-0.340	20	70		DBIDRN
C[NH2+]CC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1	ZINC000160710298	378296179	/nfs/dbraw/zinc/29/61/79/378296179.db2.gz	SRNFNJHKJNFVQC-QWRGUYRKSA-N	0	0	309.370	-0.323	20	70		DBIDRN
C[NH2+]CC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1	ZINC000160710395	378296412	/nfs/dbraw/zinc/29/64/12/378296412.db2.gz	SRNFNJHKJNFVQC-GHMZBOCLSA-N	0	0	309.370	-0.323	20	70		DBIDRN
C[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)CN1CCOCC1	ZINC000160376506	378627545	/nfs/dbraw/zinc/62/75/45/378627545.db2.gz	LLIJZEWIJYDWBR-CHWSQXEVSA-N	0	0	306.428	-0.089	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000217739445	380488466	/nfs/dbraw/zinc/48/84/66/380488466.db2.gz	JFHIGRHVGUVLQK-RNFRBKRXSA-N	0	0	312.244	-0.953	20	70		DBIDRN
COCCN(CCO)C(=O)C1CCN(C(=O)N(C)C)CC1	ZINC000160653642	380676748	/nfs/dbraw/zinc/67/67/48/380676748.db2.gz	NQHQQPICDYVGGH-UHFFFAOYSA-N	0	0	301.387	-0.153	20	70		DBIDRN
CS(=O)(=O)Nc1ccc(NC(=O)N(CCO)CCO)cc1	ZINC000217282554	544468579	/nfs/dbraw/zinc/46/85/79/544468579.db2.gz	MWLDOHQBCLNNIY-UHFFFAOYSA-N	0	0	317.367	-0.123	20	70		DBIDRN
COCC(=O)N1CCN(CCCS(=O)(=O)C(C)C)CC1	ZINC000160873721	333674309	/nfs/dbraw/zinc/67/43/09/333674309.db2.gz	SBZPRXIWTYOVAI-UHFFFAOYSA-N	0	0	306.428	-0.010	20	70		DBIDRN
CC(C)C[C@H](CO)NC(=O)c1ccnc2c(C(N)=O)cnn21	ZINC000160712450	519362034	/nfs/dbraw/zinc/36/20/34/519362034.db2.gz	KZAZKBRJBZZWQP-SECBINFHSA-N	0	0	305.338	-0.035	20	70		DBIDRN
CN(CC(=O)N[C@@H](CO)Cc1ccccc1)S(C)(=O)=O	ZINC000159968337	522491502	/nfs/dbraw/zinc/49/15/02/522491502.db2.gz	RYUQLNJCTVURGH-GFCCVEGCSA-N	0	0	300.380	-0.402	20	70		DBIDRN
COC(=O)CCNC(=O)CN1CCN(Cc2ccncc2)CC1	ZINC000161214199	523094088	/nfs/dbraw/zinc/09/40/88/523094088.db2.gz	JNHHWYXRHUVXNQ-UHFFFAOYSA-N	0	0	320.393	-0.122	20	70		DBIDRN
CN(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1	ZINC000160317375	524010707	/nfs/dbraw/zinc/01/07/07/524010707.db2.gz	FTCVUDFAFZVJIR-LBPRGKRZSA-N	0	0	304.350	-0.109	20	70		DBIDRN
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnsn1	ZINC000160362352	525209639	/nfs/dbraw/zinc/20/96/39/525209639.db2.gz	JQQVZINORKAPLR-HTQZYQBOSA-N	0	0	304.397	-0.014	20	70		DBIDRN
NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000159805342	527098494	/nfs/dbraw/zinc/09/84/94/527098494.db2.gz	YRFQYMYWSWHQPG-MWLCHTKSSA-N	0	0	303.322	-0.139	20	70		DBIDRN
Cn1cc(N2CCC[C@H](N3CCO[C@H](C(N)=O)C3)C2=O)cn1	ZINC000159903496	527245087	/nfs/dbraw/zinc/24/50/87/527245087.db2.gz	NXAIJQBGTCUICS-RYUDHWBXSA-N	0	0	307.354	-0.898	20	70		DBIDRN
Cn1cc(S(=O)(=O)NCC2(C3CC3)CC2)c(=O)n(C)c1=O	ZINC000160152655	527286518	/nfs/dbraw/zinc/28/65/18/527286518.db2.gz	DIOQALXNRWTXGZ-UHFFFAOYSA-N	0	0	313.379	-0.448	20	70		DBIDRN
Cn1nccc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	ZINC000160502415	527593423	/nfs/dbraw/zinc/59/34/23/527593423.db2.gz	HOIBJDZEQDSOFQ-UWVGGRQHSA-N	0	0	300.384	-0.132	20	70		DBIDRN
Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCN(C)C3=O)cc12	ZINC000160469452	527687343	/nfs/dbraw/zinc/68/73/43/527687343.db2.gz	KFLIIIZERMGUBX-NSHDSACASA-N	0	0	323.378	-0.214	20	70		DBIDRN
CCn1cc(S(=O)(=O)NC[C@H](O)COCC2CC2)cn1	ZINC000160697276	238335236	/nfs/dbraw/zinc/33/52/36/238335236.db2.gz	AUMPZUBZYTWYNN-NSHDSACASA-N	0	0	303.384	-0.031	20	70		DBIDRN
CC(=O)N1CC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1	ZINC000159698190	377219864	/nfs/dbraw/zinc/21/98/64/377219864.db2.gz	XXXOULQQUVMGET-LLVKDONJSA-N	0	0	315.333	-0.472	20	70		DBIDRN
CNS(=O)(=O)CCCN1CCOC[C@@H]1c1nc(C)no1	ZINC000161044072	378296991	/nfs/dbraw/zinc/29/69/91/378296991.db2.gz	LHHFFTJAQBWHLC-SNVBAGLBSA-N	0	0	304.372	-0.309	20	70		DBIDRN
COC(=O)C1CCN(S(=O)(=O)NCC(C)(C)CO)CC1	ZINC000160353748	378588443	/nfs/dbraw/zinc/58/84/43/378588443.db2.gz	CLKWUGMKPFBWRR-UHFFFAOYSA-N	0	0	308.400	-0.276	20	70		DBIDRN
COC(=O)[C@@H](O)CNC(=O)CN(C)C(=O)c1cccs1	ZINC000217669002	381059996	/nfs/dbraw/zinc/05/99/96/381059996.db2.gz	GHNWDCSIZMOPMR-QMMMGPOBSA-N	0	0	300.336	-0.530	20	70		DBIDRN
CSC[C@@](C)(O)CNC(=O)CCCN1C(=O)CN(C)C1=O	ZINC000217627485	381061252	/nfs/dbraw/zinc/06/12/52/381061252.db2.gz	NZJALYQPBJPZQS-ZDUSSCGKSA-N	0	0	317.411	-0.109	20	70		DBIDRN
CSC[C@@](C)(O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000217670832	382642253	/nfs/dbraw/zinc/64/22/53/382642253.db2.gz	WFYITNIKHVOCJQ-JQWIXIFHSA-N	0	0	324.468	-0.112	20	70		DBIDRN
COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1	ZINC000217339591	392521465	/nfs/dbraw/zinc/52/14/65/392521465.db2.gz	LNXLMQUUVYNELP-CABZTGNLSA-N	0	0	315.347	-0.008	20	70		DBIDRN
CS(=O)(=O)N1CCN(C(=O)NCC2CCOCC2)CC1	ZINC000218718403	393025967	/nfs/dbraw/zinc/02/59/67/393025967.db2.gz	FMWKVPIAZDGVAM-UHFFFAOYSA-N	0	0	305.400	-0.300	20	70		DBIDRN
CNC(=O)c1cc(S(=O)(=O)NCC(C)(C)CO)cn1C	ZINC000160357824	544622428	/nfs/dbraw/zinc/62/24/28/544622428.db2.gz	YCODVTIIMPWQAJ-UHFFFAOYSA-N	0	0	303.384	-0.319	20	70		DBIDRN
O=C1CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@@H]2N1	ZINC000160721710	544646355	/nfs/dbraw/zinc/64/63/55/544646355.db2.gz	PMKKDWYSTMILKX-QWRGUYRKSA-N	0	0	303.384	-0.836	20	70		DBIDRN
CCCc1cc(N2CCN(C(=O)CO)CC2)n2ncnc2n1	ZINC000160973158	544810003	/nfs/dbraw/zinc/81/00/03/544810003.db2.gz	PDZKHKJIKGHUOU-UHFFFAOYSA-N	0	0	304.354	-0.282	20	70		DBIDRN
CC(=O)N[C@@H]1CCCN(C(=O)Cn2cnn(C(C)(C)C)c2=O)C1	ZINC000159601856	278143202	/nfs/dbraw/zinc/14/32/02/278143202.db2.gz	GADSAYIYPJACMO-GFCCVEGCSA-N	0	0	323.397	-0.073	20	70		DBIDRN
Cc1nc(S(=O)(=O)NC[C@H](O)COCC2CC2)cn1C	ZINC000160692872	534518414	/nfs/dbraw/zinc/51/84/14/534518414.db2.gz	RXAFATMWXSETGJ-NSHDSACASA-N	0	0	303.384	-0.206	20	70		DBIDRN
COC[C@@H](O)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C	ZINC000161400387	522386831	/nfs/dbraw/zinc/38/68/31/522386831.db2.gz	PBGKALOFPMNIBT-NSHDSACASA-N	0	0	322.365	-0.304	20	70		DBIDRN
CN1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1=O	ZINC000160496237	523988768	/nfs/dbraw/zinc/98/87/68/523988768.db2.gz	KRYAPVZYNUGLGY-VIFPVBQESA-N	0	0	310.335	-0.635	20	70		DBIDRN
C[C@H](CO)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000160434084	524533654	/nfs/dbraw/zinc/53/36/54/524533654.db2.gz	RFVIWXSIOPBBGP-MFKMUULPSA-N	0	0	304.350	-0.054	20	70		DBIDRN
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnsn1	ZINC000160362595	525209257	/nfs/dbraw/zinc/20/92/57/525209257.db2.gz	JQQVZINORKAPLR-JGVFFNPUSA-N	0	0	304.397	-0.014	20	70		DBIDRN
NC(=O)CN(CC(N)=O)C(=O)Cc1ccc(F)cc1Cl	ZINC000160363712	526879144	/nfs/dbraw/zinc/87/91/44/526879144.db2.gz	VZUBYSOTOGEIDO-UHFFFAOYSA-N	0	0	301.705	-0.179	20	70		DBIDRN
Cn1c2ccc(S(=O)(=O)N3CC[C@@H](O)C3)cc2n(C)c1=O	ZINC000161146784	527103494	/nfs/dbraw/zinc/10/34/94/527103494.db2.gz	REBWPNZWSFVZOV-SECBINFHSA-N	0	0	311.363	-0.368	20	70		DBIDRN
Cn1cc(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1	ZINC000160298016	527180749	/nfs/dbraw/zinc/18/07/49/527180749.db2.gz	LPXYRGYRBMVIBL-NWDGAFQWSA-N	0	0	314.411	-0.203	20	70		DBIDRN
Cn1cc(S(=O)(=O)NCC2(CO)CCCC2)cc1C(N)=O	ZINC000160343863	527286308	/nfs/dbraw/zinc/28/63/08/527286308.db2.gz	BGIPENQEGXJSNJ-UHFFFAOYSA-N	0	0	315.395	-0.045	20	70		DBIDRN
COC[C@@H](O)CNC(=O)Cn1cnc2c(C)cccc2c1=O	ZINC000159491229	375143641	/nfs/dbraw/zinc/14/36/41/375143641.db2.gz	UTEZIUOUFCMBTI-NSHDSACASA-N	0	0	305.334	-0.172	20	70		DBIDRN
CC(C)[C@H](O)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	ZINC000159761950	375160891	/nfs/dbraw/zinc/16/08/91/375160891.db2.gz	WTPMXLNYXJWJAX-GFCCVEGCSA-N	0	0	305.334	-0.177	20	70		DBIDRN
Cn1nncc1CN1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000159855435	375168462	/nfs/dbraw/zinc/16/84/62/375168462.db2.gz	UVBQTPCIJIZHGL-UHFFFAOYSA-N	0	0	322.394	-0.283	20	70		DBIDRN
COC(=O)CCCS(=O)(=O)N(C)CC1(O)CCOCC1	ZINC000161474190	375311884	/nfs/dbraw/zinc/31/18/84/375311884.db2.gz	GLPZCVQKDRWJNE-UHFFFAOYSA-N	0	0	309.384	-0.257	20	70		DBIDRN
C[C@H](CCO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	ZINC000161070741	376396743	/nfs/dbraw/zinc/39/67/43/376396743.db2.gz	TUBNWALUDKPBTO-SNVBAGLBSA-N	0	0	305.334	-0.176	20	70		DBIDRN
C[C@@H](CCO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O	ZINC000161070613	376397724	/nfs/dbraw/zinc/39/77/24/376397724.db2.gz	TUBNWALUDKPBTO-JTQLQIEISA-N	0	0	305.334	-0.176	20	70		DBIDRN
Cc1nc(S(=O)(=O)NC[C@H](C)CN2CCOCC2)cn1C	ZINC000160361836	378294835	/nfs/dbraw/zinc/29/48/35/378294835.db2.gz	PZSMQITYRRPSCA-NSHDSACASA-N	0	0	316.427	-0.025	20	70		DBIDRN
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C3([NH3+])CC3)cn2)C[C@H](C)O1	ZINC000160708100	378295460	/nfs/dbraw/zinc/29/54/60/378295460.db2.gz	NIAFZKHPQHJHDV-PHIMTYICSA-N	0	0	321.381	-0.051	20	70		DBIDRN
CC(C)N1C[C@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288649	379687831	/nfs/dbraw/zinc/68/78/31/379687831.db2.gz	TYTQFWFYQOWJFG-GHMZBOCLSA-N	0	0	317.411	-0.176	20	70		DBIDRN
COCCN1C[C@H](C(=O)NC[C@](C)(O)CSC)CC1=O	ZINC000217661257	379927971	/nfs/dbraw/zinc/92/79/71/379927971.db2.gz	AYOCRMXDQYNMCL-MFKMUULPSA-N	0	0	304.412	-0.289	20	70		DBIDRN
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1	ZINC000217339469	381060105	/nfs/dbraw/zinc/06/01/05/381060105.db2.gz	LNXLMQUUVYNELP-SKDRFNHKSA-N	0	0	315.347	-0.008	20	70		DBIDRN
COC(=O)[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000217739599	381061296	/nfs/dbraw/zinc/06/12/96/381061296.db2.gz	JFHIGRHVGUVLQK-NKWVEPMBSA-N	0	0	312.244	-0.953	20	70		DBIDRN
C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN1CCNCC1=O	ZINC000161478846	392590131	/nfs/dbraw/zinc/59/01/31/392590131.db2.gz	INZPHTJZYQVZGX-GFCCVEGCSA-N	0	0	318.377	-0.507	20	70		DBIDRN
CN1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21	ZINC000159727825	544708785	/nfs/dbraw/zinc/70/87/85/544708785.db2.gz	CFIMJEVWVFSYQB-STQMWFEESA-N	0	0	322.365	-0.380	20	70		DBIDRN
Cn1cc(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cn1	ZINC000160364473	302915737	/nfs/dbraw/zinc/91/57/37/302915737.db2.gz	DLYHQNCMCZOREM-SNVBAGLBSA-N	0	0	301.372	-0.034	20	70		DBIDRN
CC(C)(C)S(=O)(=O)CC(=O)NCC(=O)NCC(F)(F)F	ZINC000160971814	333729131	/nfs/dbraw/zinc/72/91/31/333729131.db2.gz	ZOSAQABZUFCHIX-UHFFFAOYSA-N	0	0	318.317	-0.006	20	70		DBIDRN
COC[C@H](O)CCNC(=O)CCn1nc2ccccn2c1=O	ZINC000161061139	333791630	/nfs/dbraw/zinc/79/16/30/333791630.db2.gz	ZLAJSHVMMDQZOF-LLVKDONJSA-N	0	0	308.338	-0.600	20	70		DBIDRN
Cc1nc(S(=O)(=O)NC[C@@H](O)COCC2CC2)cn1C	ZINC000160693015	534518333	/nfs/dbraw/zinc/51/83/33/534518333.db2.gz	RXAFATMWXSETGJ-LLVKDONJSA-N	0	0	303.384	-0.206	20	70		DBIDRN
CCN(CCCNC(=O)c1cccc(=O)n1C)S(C)(=O)=O	ZINC000160588948	521018617	/nfs/dbraw/zinc/01/86/17/521018617.db2.gz	CGEIIIAABSPNNZ-UHFFFAOYSA-N	0	0	315.395	-0.213	20	70		DBIDRN
CN(CCS(C)(=O)=O)[C@H]1CCCN(c2cnn(C)c2)C1=O	ZINC000160433260	522925933	/nfs/dbraw/zinc/92/59/33/522925933.db2.gz	ZOSPDHFLZSNKKJ-LBPRGKRZSA-N	0	0	314.411	-0.108	20	70		DBIDRN
CO[C@@]1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000161072917	523817416	/nfs/dbraw/zinc/81/74/16/523817416.db2.gz	PTDBTZFKDHXJDK-CYBMUJFWSA-N	0	0	314.363	-0.131	20	70		DBIDRN
CN(C)C(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccnc1	ZINC000160317508	524015101	/nfs/dbraw/zinc/01/51/01/524015101.db2.gz	FTCVUDFAFZVJIR-GFCCVEGCSA-N	0	0	304.350	-0.109	20	70		DBIDRN
C[C@@H](CO)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000159700751	524776092	/nfs/dbraw/zinc/77/60/92/524776092.db2.gz	OZIXBNNZKXBERU-SECBINFHSA-N	0	0	313.379	-0.216	20	70		DBIDRN
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnsn1	ZINC000160362770	525212534	/nfs/dbraw/zinc/21/25/34/525212534.db2.gz	JQQVZINORKAPLR-YUMQZZPRSA-N	0	0	304.397	-0.014	20	70		DBIDRN
CS(=O)(=O)c1csc(C(=O)N2CCN(CCO)CC2)c1	ZINC000159820785	525281262	/nfs/dbraw/zinc/28/12/62/525281262.db2.gz	XEBGZELCCVZTDB-UHFFFAOYSA-N	0	0	318.420	-0.098	20	70		DBIDRN
O=C(C[C@@H]1NC(=O)NC1=O)N1CCCN(CC(F)(F)F)CC1	ZINC000159949470	527137625	/nfs/dbraw/zinc/13/76/25/527137625.db2.gz	YURHOSKPTQIAQX-QMMMGPOBSA-N	0	0	322.287	-0.319	20	70		DBIDRN
Cn1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1	ZINC000160580525	527165719	/nfs/dbraw/zinc/16/57/19/527165719.db2.gz	DOJFFYSNRYYMMA-MWLCHTKSSA-N	0	0	300.384	-0.132	20	70		DBIDRN
Cn1nccc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	ZINC000160502666	527593820	/nfs/dbraw/zinc/59/38/20/527593820.db2.gz	HOIBJDZEQDSOFQ-VHSXEESVSA-N	0	0	300.384	-0.132	20	70		DBIDRN
Cc1nn(C)c(C)c1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O	ZINC000160723552	527654450	/nfs/dbraw/zinc/65/44/50/527654450.db2.gz	YNUOBQZTOSCZLM-UHFFFAOYSA-N	0	0	321.337	-0.548	20	70		DBIDRN
C[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1	ZINC000159921086	375179458	/nfs/dbraw/zinc/17/94/58/375179458.db2.gz	IVZBJXCLFUNFNX-LLVKDONJSA-N	0	0	300.403	-0.140	20	70		DBIDRN
Cn1c(=O)ccn(CC(=O)NCCc2cccc(O)c2)c1=O	ZINC000160175340	375209703	/nfs/dbraw/zinc/20/97/03/375209703.db2.gz	TUVJRBBVAGPOHU-UHFFFAOYSA-N	0	0	303.318	-0.389	20	70		DBIDRN
CC(=O)NCC(=O)NCC(=O)NCc1nc2c(cccc2C)[nH]1	ZINC000160232886	375376531	/nfs/dbraw/zinc/37/65/31/375376531.db2.gz	KVGFLXSBPPRTCV-UHFFFAOYSA-N	0	0	317.349	-0.260	20	70		DBIDRN
Cn1cc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	ZINC000160297735	375415713	/nfs/dbraw/zinc/41/57/13/375415713.db2.gz	LPXYRGYRBMVIBL-RYUDHWBXSA-N	0	0	314.411	-0.203	20	70		DBIDRN
Cn1c2[nH]c(CN3CCCSCC3)nc2c(=O)n(C)c1=O	ZINC000161486604	376415576	/nfs/dbraw/zinc/41/55/76/376415576.db2.gz	HHXDUOFUCXQLCX-UHFFFAOYSA-N	0	0	309.395	-0.101	20	70		DBIDRN
CC(C)[C@H](CCO)NC(=O)Cn1cnc2c(cnn2C)c1=O	ZINC000160790781	377142468	/nfs/dbraw/zinc/14/24/68/377142468.db2.gz	HDAKGTVKJOJMOY-NSHDSACASA-N	0	0	307.354	-0.347	20	70		DBIDRN
CC(C)N1C[C@@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288651	379688635	/nfs/dbraw/zinc/68/86/35/379688635.db2.gz	TYTQFWFYQOWJFG-WDEREUQCSA-N	0	0	317.411	-0.176	20	70		DBIDRN
CC(C)N1C[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217288639	379688820	/nfs/dbraw/zinc/68/88/20/379688820.db2.gz	ONNRTZXEDFQYFT-UWVGGRQHSA-N	0	0	303.384	-0.518	20	70		DBIDRN
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CC)CC(=O)OC	ZINC000218044423	380812177	/nfs/dbraw/zinc/81/21/77/380812177.db2.gz	HAYHIGVDRWGABP-JTQLQIEISA-N	0	0	322.383	-0.246	20	70		DBIDRN
COCCOCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000218026428	381059812	/nfs/dbraw/zinc/05/98/12/381059812.db2.gz	DDEIMMMUCOJRRA-UHFFFAOYSA-N	0	0	316.379	-0.344	20	70		DBIDRN
CN(C)C(=O)NCCNS(=O)(=O)c1ccc(N)cc1F	ZINC000160689136	544645680	/nfs/dbraw/zinc/64/56/80/544645680.db2.gz	MSQBKPRYRJEYSC-UHFFFAOYSA-N	0	0	304.347	-0.043	20	70		DBIDRN
CS(=O)(=O)CCCCN1CCC[C@@H](NS(C)(=O)=O)C1	ZINC000161438706	544845169	/nfs/dbraw/zinc/84/51/69/544845169.db2.gz	ZRSFSZSUWDWDGY-LLVKDONJSA-N	0	0	312.457	-0.175	20	70		DBIDRN
CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	ZINC000217285892	277163054	/nfs/dbraw/zinc/16/30/54/277163054.db2.gz	QKGBUGHSWGWLAV-VHSXEESVSA-N	0	0	317.411	-0.128	20	70		DBIDRN
C[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)[C@H](C)CO1	ZINC000161376368	277908147	/nfs/dbraw/zinc/90/81/47/277908147.db2.gz	GLPLOLYEQUDAGG-RKDXNWHRSA-N	0	0	307.354	-0.431	20	70		DBIDRN
COCCC1(C(=O)NCCN2CCS(=O)(=O)CC2)CC1	ZINC000160148689	332764217	/nfs/dbraw/zinc/76/42/17/332764217.db2.gz	NZDXGWGEZFWJIV-UHFFFAOYSA-N	0	0	304.412	-0.350	20	70		DBIDRN
Cc1c(C(=O)N[C@H](C)CO)cnc2c1c(=O)n(C)c(=O)n2C	ZINC000161185743	334072313	/nfs/dbraw/zinc/07/23/13/334072313.db2.gz	JWEMXDXCSHPGSQ-SSDOTTSWSA-N	0	0	306.322	-0.949	20	70		DBIDRN
CC(C)(C)c1nsc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1	ZINC000159872575	519141284	/nfs/dbraw/zinc/14/12/84/519141284.db2.gz	NPDIOWIUWTVVER-MRVPVSSYSA-N	0	0	309.395	-0.017	20	70		DBIDRN
CN(C)C(=O)Cn1cc(C(=O)N(C)Cc2cccn2C)nn1	ZINC000160471253	523999231	/nfs/dbraw/zinc/99/92/31/523999231.db2.gz	HIVBFJFICAHUDU-UHFFFAOYSA-N	0	0	304.354	-0.023	20	70		DBIDRN
CS(=O)(=O)NCCN1CCOC[C@H]1C[C@H](O)c1ccco1	ZINC000159379180	525192239	/nfs/dbraw/zinc/19/22/39/525192239.db2.gz	OFNBWVYYNCIFGZ-NEPJUHHUSA-N	0	0	318.395	-0.047	20	70		DBIDRN
Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCN(C)C3=O)cc12	ZINC000160469312	527687210	/nfs/dbraw/zinc/68/72/10/527687210.db2.gz	KFLIIIZERMGUBX-LLVKDONJSA-N	0	0	323.378	-0.214	20	70		DBIDRN